smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1sc2[n-]c([C@H](C)OC(=O)c3cccc(C#N)c3)nc(=O)c2c1C ZINC000005983366 695553332 /nfs/dbraw/zinc/55/33/32/695553332.db2.gz GFUFFDGTOBWVSI-JTQLQIEISA-N -1 3 353.403 3.391 20 30 FGEDHM COc1ccccc1[C@@H](O)C/N=C/c1cc(Br)ccc1[O-] ZINC000032070539 695741594 /nfs/dbraw/zinc/74/15/94/695741594.db2.gz OHVDNLHWMSQMGG-UPAIAECRSA-N -1 3 350.212 3.316 20 30 FGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])C=CSCc1ccco1 ZINC000150943097 704905745 /nfs/dbraw/zinc/90/57/45/704905745.db2.gz OHWFUEKMNQMETL-PLWJUESGSA-N -1 3 356.403 3.383 20 30 FGEDHM COc1cc(C=NNc2ccc3n[nH]cc3c2)cc(Br)c1[O-] ZINC000779815479 724428585 /nfs/dbraw/zinc/42/85/85/724428585.db2.gz ACDAMLIJPJEVPF-UHFFFAOYSA-N -1 3 361.199 3.486 20 30 FGEDHM C=CCOCCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000657151334 719575941 /nfs/dbraw/zinc/57/59/41/719575941.db2.gz UREIWYOPESOUCC-UHFFFAOYSA-N -1 3 357.781 3.230 20 30 FGEDHM N#Cc1cccc(OCCOC(=O)c2cccc(Br)c2[O-])c1 ZINC000730365552 722467921 /nfs/dbraw/zinc/46/79/21/722467921.db2.gz UODHIRZSKUHPEZ-UHFFFAOYSA-N -1 3 362.179 3.262 20 30 FGEDHM CCC(=NN=c1cc[nH]c(N(C)C)n1)c1cc(Br)ccc1[O-] ZINC000739418420 722532925 /nfs/dbraw/zinc/53/29/25/722532925.db2.gz RSMQQAAJDVLYIF-UHFFFAOYSA-N -1 3 364.247 3.237 20 30 FGEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1cnc(-c2ccccc2)s1 ZINC000743448345 722567605 /nfs/dbraw/zinc/56/76/05/722567605.db2.gz KUUUVNRXDPRHAE-UHFFFAOYSA-N -1 3 371.487 3.306 20 30 FGEDHM O=C1[C@@H](/N=C/c2cc(Br)ccc2[O-])CCN1Cc1ccccc1 ZINC000743538580 722568589 /nfs/dbraw/zinc/56/85/89/722568589.db2.gz NEVKSKCWUBFTRY-YODDIOPGSA-N -1 3 373.250 3.375 20 30 FGEDHM COc1ccccc1CC(=N[N-]S(=O)(=O)Cc1ccccc1)C(C)C ZINC000748248207 722681621 /nfs/dbraw/zinc/68/16/21/722681621.db2.gz BFKKSXANZPVPSD-UHFFFAOYSA-N -1 3 360.479 3.369 20 30 FGEDHM CC(N=Nc1nc(-c2ccncc2)no1)c1ccc(Br)cc1[O-] ZINC000756826383 722970499 /nfs/dbraw/zinc/97/04/99/722970499.db2.gz IAPSBPGPRBTXMY-UHFFFAOYSA-N -1 3 374.198 3.436 20 30 FGEDHM C#CCn1ccc(CN(CC)Cc2cc(C)cc(Br)c2[O-])n1 ZINC000789762069 723071273 /nfs/dbraw/zinc/07/12/73/723071273.db2.gz UBCNMIOLWAVEGO-UHFFFAOYSA-N -1 3 362.271 3.315 20 30 FGEDHM CS(=O)(=O)c1ccc(C(=O)/C=C/c2c(F)ccc([O-])c2F)cc1F ZINC000794942584 723552618 /nfs/dbraw/zinc/55/26/18/723552618.db2.gz PAHUIVAUAFSITD-HWKANZROSA-N -1 3 356.321 3.109 20 30 FGEDHM CC(C)c1nccnc1[N-]N=C1C(=O)Nc2cccc(Br)c21 ZINC000773091693 723776658 /nfs/dbraw/zinc/77/66/58/723776658.db2.gz VRSBXPMLUNDMDV-UHFFFAOYSA-N -1 3 360.215 3.131 20 30 FGEDHM N#CC1(CNCc2cc(Br)cc(Br)c2[O-])CC1 ZINC000797604953 723841842 /nfs/dbraw/zinc/84/18/42/723841842.db2.gz GAGIOXNSJGNNAD-UHFFFAOYSA-N -1 3 360.049 3.311 20 30 FGEDHM [O-]c1ccc(Br)cc1/C=N/Cc1ncnn1-c1ccccc1 ZINC000775231754 723972566 /nfs/dbraw/zinc/97/25/66/723972566.db2.gz JHXDBMZBMGKGBI-GIJQJNRQSA-N -1 3 357.211 3.355 20 30 FGEDHM O=C([N-]CC1CCN(CC#Cc2ccccc2Cl)CC1)C(F)(F)F ZINC000799174186 723994948 /nfs/dbraw/zinc/99/49/48/723994948.db2.gz KJQKOGNLUFODTC-UHFFFAOYSA-N -1 3 358.791 3.082 20 30 FGEDHM N#Cc1cc([O-])cc(C(=O)OCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000776274997 724127532 /nfs/dbraw/zinc/12/75/32/724127532.db2.gz QYJZEJQEIZQJDS-UHFFFAOYSA-N -1 3 355.737 3.324 20 30 FGEDHM COc1cc(OC)c(N=Cc2ccc(O)c([O-])c2O)cc1Br ZINC000777401883 724222546 /nfs/dbraw/zinc/22/25/46/724222546.db2.gz TUQAEGYMEFEDDT-UHFFFAOYSA-N -1 3 368.183 3.334 20 30 FGEDHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1cccc(C#N)c1 ZINC000778013253 724283331 /nfs/dbraw/zinc/28/33/31/724283331.db2.gz LNKFIAPRCZRIJL-SECBINFHSA-N -1 3 356.234 3.300 20 30 FGEDHM COC[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccc(Cl)cc1 ZINC000785309906 724906204 /nfs/dbraw/zinc/90/62/04/724906204.db2.gz PNDGVNKWUCLDAI-HNNXBMFYSA-N -1 3 368.817 3.017 20 30 FGEDHM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787847204 725039495 /nfs/dbraw/zinc/03/94/95/725039495.db2.gz ZRNNXDBRFUHYEW-AWEZNQCLSA-N -1 3 351.418 3.210 20 30 FGEDHM C=CCCCCCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F ZINC000805105459 725049978 /nfs/dbraw/zinc/04/99/78/725049978.db2.gz XDHJZVAXCXBWLM-UHFFFAOYSA-N -1 3 361.410 3.166 20 30 FGEDHM CCOc1cc(/C=C\C(=O)c2cc(C)nn2C)cc(Br)c1[O-] ZINC000789159301 725111508 /nfs/dbraw/zinc/11/15/08/725111508.db2.gz KQZPTVCNRAFYSY-WAYWQWQTSA-N -1 3 365.227 3.491 20 30 FGEDHM N#Cc1ccc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c(Cl)c1 ZINC000810067386 725286102 /nfs/dbraw/zinc/28/61/02/725286102.db2.gz VHNZVLVSQNFOEO-GFCCVEGCSA-N -1 3 359.779 3.102 20 30 FGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cccc(C#N)n1 ZINC000810531896 725313028 /nfs/dbraw/zinc/31/30/28/725313028.db2.gz PWRMIRGUJAALDG-LLVKDONJSA-N -1 3 359.172 3.221 20 30 FGEDHM CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394480 725361494 /nfs/dbraw/zinc/36/14/94/725361494.db2.gz DMDBFZQXXIZVFC-VIFPVBQESA-N -1 3 353.831 3.048 20 30 FGEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1cc(Cl)ccc1Sc1ccccc1 ZINC000820186254 728973166 /nfs/dbraw/zinc/97/31/66/728973166.db2.gz WUGLQCWAERPJDF-CQSZACIVSA-N -1 3 362.838 3.211 20 30 FGEDHM CCCCCCCCc1nnc([N-]C(=O)c2ccn3nnnc3c2)s1 ZINC000823114948 729253781 /nfs/dbraw/zinc/25/37/81/729253781.db2.gz CHSMBGQNWOXIJZ-UHFFFAOYSA-N -1 3 359.459 3.131 20 30 FGEDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000826400980 729407914 /nfs/dbraw/zinc/40/79/14/729407914.db2.gz MMNSAMVPUAOZSC-ALCCZGGFSA-N -1 3 355.741 3.324 20 30 FGEDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000826400980 729407915 /nfs/dbraw/zinc/40/79/15/729407915.db2.gz MMNSAMVPUAOZSC-ALCCZGGFSA-N -1 3 355.741 3.324 20 30 FGEDHM C[C@]1(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)CC1(Cl)Cl ZINC000832147284 729692852 /nfs/dbraw/zinc/69/28/52/729692852.db2.gz FQTKFXFAAMFTDQ-LLVKDONJSA-N -1 3 353.658 3.074 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@]1(C)CC1(Cl)Cl ZINC000836915438 729974223 /nfs/dbraw/zinc/97/42/23/729974223.db2.gz NGFGXCYKXXLTMV-INIZCTEOSA-N -1 3 370.280 3.299 20 30 FGEDHM Cn1nccc1[C@@H]1C[C@@H](/N=C\c2cc(Br)ccc2[O-])CCO1 ZINC000840708665 730164542 /nfs/dbraw/zinc/16/45/42/730164542.db2.gz IBZLVAZTLMRBFS-XUDKQTJMSA-N -1 3 364.243 3.227 20 30 FGEDHM Cc1cc([O-])c(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(Cl)c1 ZINC000840940120 730194270 /nfs/dbraw/zinc/19/42/70/730194270.db2.gz VPHOYGKWGUOTBF-SWLSCSKDSA-N -1 3 365.861 3.203 20 30 FGEDHM Cc1nc(CCOC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)sc1C ZINC000845712572 730886402 /nfs/dbraw/zinc/88/64/02/730886402.db2.gz VATFAUCKVXLWOS-UHFFFAOYSA-N -1 3 359.451 3.068 20 30 FGEDHM C[C@@H](CCC#N)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852672962 731617288 /nfs/dbraw/zinc/61/72/88/731617288.db2.gz DREYWPNXTFJCMW-NUEKZKHPSA-N -1 3 353.388 3.215 20 30 FGEDHM C=CCN(C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)[C@@H](C)COC ZINC000912313593 757306807 /nfs/dbraw/zinc/30/68/07/757306807.db2.gz GJNILVYHYPSHSI-NSHDSACASA-N -1 3 355.460 3.153 20 30 FGEDHM CCOc1cc(C=Nn2c(C)nc3ccccc3c2=O)cc(Cl)c1[O-] ZINC000916293448 758065816 /nfs/dbraw/zinc/06/58/16/758065816.db2.gz PNSKXXZCUWSUHN-UHFFFAOYSA-N -1 3 357.797 3.345 20 30 FGEDHM COc1ccc(CNN=Cc2cc(Br)c([O-])c(OC)c2)cc1 ZINC000917547394 758236396 /nfs/dbraw/zinc/23/63/96/758236396.db2.gz PZCGTFKDLMSYMS-UHFFFAOYSA-N -1 3 365.227 3.296 20 30 FGEDHM C=CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)cc2)ccc1C ZINC000918488128 758330507 /nfs/dbraw/zinc/33/05/07/758330507.db2.gz FAJQUUKHJFOCSR-UHFFFAOYSA-N -1 3 361.419 3.147 20 30 FGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cccc(OC(F)F)c1 ZINC000920384218 758546504 /nfs/dbraw/zinc/54/65/04/758546504.db2.gz WYRYNYNPMIQAEJ-UHFFFAOYSA-N -1 3 354.378 3.132 20 30 FGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(Br)s1 ZINC000920386514 758546559 /nfs/dbraw/zinc/54/65/59/758546559.db2.gz BDDDMNFGMPDSST-UHFFFAOYSA-N -1 3 373.297 3.354 20 30 FGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cccc(Br)c1 ZINC000920387108 758547753 /nfs/dbraw/zinc/54/77/53/758547753.db2.gz LJHPLIAAPXLJPW-UHFFFAOYSA-N -1 3 367.268 3.293 20 30 FGEDHM Cc1cc(NN=Cc2c([O-])c(C)ncc2CO)ccc1Br ZINC000920479515 758559163 /nfs/dbraw/zinc/55/91/63/758559163.db2.gz PDQFGSRMYKRJGE-UHFFFAOYSA-N -1 3 350.216 3.105 20 30 FGEDHM Cc1ccc2nc(NC(=O)C[N-]S(=O)(=O)c3cccs3)sc2c1 ZINC000004758407 204161370 /nfs/dbraw/zinc/16/13/70/204161370.db2.gz OPKILNQAUDWKDS-UHFFFAOYSA-N -1 3 367.477 3.233 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccc2ccccc2c1 ZINC000041340165 257339922 /nfs/dbraw/zinc/33/99/22/257339922.db2.gz BFKKVXRNGLXAJR-UHFFFAOYSA-N -1 3 373.456 3.308 20 30 FGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1nc2c(s1)CCC2 ZINC000576963855 505634742 /nfs/dbraw/zinc/63/47/42/505634742.db2.gz SYDNWIUBRIFUHK-SECBINFHSA-N -1 3 367.883 3.196 20 30 FGEDHM CCOC(=O)CSc1nnc([N-]C(=O)c2ccc(C(C)=O)s2)s1 ZINC000029393059 493837791 /nfs/dbraw/zinc/83/77/91/493837791.db2.gz JEFCTLLWUOKCFB-UHFFFAOYSA-N -1 3 371.465 3.094 20 30 FGEDHM Cc1nc(C)c(CC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)c(=O)[n-]1 ZINC000068916590 493894726 /nfs/dbraw/zinc/89/47/26/493894726.db2.gz FVRFXRVLMHQFLM-UHFFFAOYSA-N -1 3 374.400 3.232 20 30 FGEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)c(Br)c1 ZINC000574091289 505691997 /nfs/dbraw/zinc/69/19/97/505691997.db2.gz DXXUABNEFHTSTH-LLVKDONJSA-N -1 3 365.680 3.319 20 30 FGEDHM Cc1c(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cnn1-c1ccccc1C ZINC000064372301 494117500 /nfs/dbraw/zinc/11/75/00/494117500.db2.gz QJBHTYNXYDBTJF-UHFFFAOYSA-N -1 3 359.393 3.306 20 30 FGEDHM Cc1c(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cnn1-c1ccccc1C ZINC000064372301 494117502 /nfs/dbraw/zinc/11/75/02/494117502.db2.gz QJBHTYNXYDBTJF-UHFFFAOYSA-N -1 3 359.393 3.306 20 30 FGEDHM Cc1c(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cnn1-c1ccccc1C ZINC000064372301 494117505 /nfs/dbraw/zinc/11/75/05/494117505.db2.gz QJBHTYNXYDBTJF-UHFFFAOYSA-N -1 3 359.393 3.306 20 30 FGEDHM CCC(=O)c1ccc(OCC(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000053524757 494142885 /nfs/dbraw/zinc/14/28/85/494142885.db2.gz KQDUCJZWDAZSDY-UHFFFAOYSA-N -1 3 351.366 3.126 20 30 FGEDHM CCC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000053524757 494142888 /nfs/dbraw/zinc/14/28/88/494142888.db2.gz KQDUCJZWDAZSDY-UHFFFAOYSA-N -1 3 351.366 3.126 20 30 FGEDHM CCC(=O)c1ccc(OCC(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000053524757 494142891 /nfs/dbraw/zinc/14/28/91/494142891.db2.gz KQDUCJZWDAZSDY-UHFFFAOYSA-N -1 3 351.366 3.126 20 30 FGEDHM N#Cc1c2c(sc1[N-]C(=O)c1cc([N+](=O)[O-])cc3c1OCCO3)CCC2 ZINC000066269753 494299764 /nfs/dbraw/zinc/29/97/64/494299764.db2.gz XCLPLKWKQPRBJF-UHFFFAOYSA-N -1 3 371.374 3.040 20 30 FGEDHM Cc1cnc(C(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)cn1 ZINC000014621478 494321590 /nfs/dbraw/zinc/32/15/90/494321590.db2.gz PCRGYDZPUOIWLC-UHFFFAOYSA-N -1 3 368.447 3.053 20 30 FGEDHM Cc1ccc([C@@H](C)N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000045247518 494410132 /nfs/dbraw/zinc/41/01/32/494410132.db2.gz GYGADEFLHNVCME-MRXNPFEDSA-N -1 3 351.450 3.324 20 30 FGEDHM CCN(Cc1ccccc1Cl)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000045396505 494423558 /nfs/dbraw/zinc/42/35/58/494423558.db2.gz CGACZXNNJJMZOL-UHFFFAOYSA-N -1 3 371.868 3.498 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCSc1ccccc1 ZINC000018083290 494423817 /nfs/dbraw/zinc/42/38/17/494423817.db2.gz FUZGKHGVJXUGJE-UHFFFAOYSA-N -1 3 369.490 3.095 20 30 FGEDHM CC(C)c1ccc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c([O-])c1 ZINC000067179943 494491041 /nfs/dbraw/zinc/49/10/41/494491041.db2.gz GMHSWQDNEYQSSH-UHFFFAOYSA-N -1 3 364.449 3.181 20 30 FGEDHM C=CCCCN(C)C(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000080098816 494593565 /nfs/dbraw/zinc/59/35/65/494593565.db2.gz WDHVUHMUVUZDBU-UHFFFAOYSA-N -1 3 359.451 3.068 20 30 FGEDHM Cc1c(C(=O)[N-]c2sccc2C#N)nnn1-c1ccc2ncccc2c1 ZINC000108956733 494810650 /nfs/dbraw/zinc/81/06/50/494810650.db2.gz ZWPOSWKKPWIZBW-UHFFFAOYSA-N -1 3 360.402 3.309 20 30 FGEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000026255324 494812473 /nfs/dbraw/zinc/81/24/73/494812473.db2.gz PBWIRNGOAHSCKF-NSHDSACASA-N -1 3 356.304 3.018 20 30 FGEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000026255324 494812476 /nfs/dbraw/zinc/81/24/76/494812476.db2.gz PBWIRNGOAHSCKF-NSHDSACASA-N -1 3 356.304 3.018 20 30 FGEDHM O=C(Nc1nnc(-c2ccco2)[n-]1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000097106330 495024623 /nfs/dbraw/zinc/02/46/23/495024623.db2.gz ROVCUMUWZRTENU-LBPRGKRZSA-N -1 3 371.784 3.359 20 30 FGEDHM O=C(Nc1nc(-c2ccco2)n[n-]1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000097106330 495024626 /nfs/dbraw/zinc/02/46/26/495024626.db2.gz ROVCUMUWZRTENU-LBPRGKRZSA-N -1 3 371.784 3.359 20 30 FGEDHM O=C(Nc1n[n-]c(-c2ccco2)n1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000097106330 495024631 /nfs/dbraw/zinc/02/46/31/495024631.db2.gz ROVCUMUWZRTENU-LBPRGKRZSA-N -1 3 371.784 3.359 20 30 FGEDHM CC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1cc(F)ccc1F ZINC000130215333 495358348 /nfs/dbraw/zinc/35/83/48/495358348.db2.gz LOIATAMWNQVYMB-GOSISDBHSA-N -1 3 373.403 3.342 20 30 FGEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000130554322 495410380 /nfs/dbraw/zinc/41/03/80/495410380.db2.gz CUWZOWXLMAKVMK-SKDRFNHKSA-N -1 3 363.302 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FGEDHM C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1F ZINC000735976268 598924556 /nfs/dbraw/zinc/92/45/56/598924556.db2.gz PRJVKWFKZRELTG-NSHDSACASA-N -1 3 350.357 3.010 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cc3sccc3s2)cc1-c1nnn[n-]1 ZINC000737718688 599194354 /nfs/dbraw/zinc/19/43/54/599194354.db2.gz MGUDXMLNNMFGIM-UHFFFAOYSA-N -1 3 352.404 3.267 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cc3sccc3s2)cc1-c1nn[n-]n1 ZINC000737718688 599194356 /nfs/dbraw/zinc/19/43/56/599194356.db2.gz MGUDXMLNNMFGIM-UHFFFAOYSA-N -1 3 352.404 3.267 20 30 FGEDHM CC(N=Nc1ncnc2c3ccccc3oc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000735451432 598274191 /nfs/dbraw/zinc/27/41/91/598274191.db2.gz ZUDIJIKCJMUPHB-UHFFFAOYSA-N -1 3 370.376 3.392 20 30 FGEDHM CC(N=Nc1ncnc2c3ccccc3oc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000735451432 598274192 /nfs/dbraw/zinc/27/41/92/598274192.db2.gz ZUDIJIKCJMUPHB-UHFFFAOYSA-N -1 3 370.376 3.392 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccccc2Cl)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203384 598378490 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598591722 /nfs/dbraw/zinc/59/17/22/598591722.db2.gz OQTXILFOPHVTSO-AWEZNQCLSA-N -1 3 373.203 3.168 20 30 FGEDHM N#Cc1cc2c(nc1SCc1ccc(F)cc1-c1nnn[n-]1)CCCC2 ZINC000737708763 598644701 /nfs/dbraw/zinc/64/47/01/598644701.db2.gz GVJHXWYVXBQJSB-UHFFFAOYSA-N -1 3 366.425 3.444 20 30 FGEDHM N#Cc1cc2c(nc1SCc1ccc(F)cc1-c1nn[n-]n1)CCCC2 ZINC000737708763 598644704 /nfs/dbraw/zinc/64/47/04/598644704.db2.gz GVJHXWYVXBQJSB-UHFFFAOYSA-N -1 3 366.425 3.444 20 30 FGEDHM C=C(C)CN(CC)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735399067 598647459 /nfs/dbraw/zinc/64/74/59/598647459.db2.gz OSILMNJZRSVHHA-UHFFFAOYSA-N -1 3 364.409 3.092 20 30 FGEDHM C=C(C)CN(CC)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735399067 598647461 /nfs/dbraw/zinc/64/74/61/598647461.db2.gz OSILMNJZRSVHHA-UHFFFAOYSA-N -1 3 364.409 3.092 20 30 FGEDHM Clc1ccc(C=NOCCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737571216 598698678 /nfs/dbraw/zinc/69/86/78/598698678.db2.gz WZMQQWAKTVRWCZ-UHFFFAOYSA-N -1 3 357.801 3.340 20 30 FGEDHM 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Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1ccccc1C(C)(C)C#N ZINC000826252835 607385162 /nfs/dbraw/zinc/38/51/62/607385162.db2.gz UFKKDOXIWJFDTR-UHFFFAOYSA-N -1 3 361.405 3.333 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1ccccc1C(C)(C)C#N ZINC000826252835 607385164 /nfs/dbraw/zinc/38/51/64/607385164.db2.gz UFKKDOXIWJFDTR-UHFFFAOYSA-N -1 3 361.405 3.333 20 30 FGEDHM C=CCC[C@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819734814 607440242 /nfs/dbraw/zinc/44/02/42/607440242.db2.gz UPKCZEIPQHLSRR-SFHVURJKSA-N -1 3 362.437 3.102 20 30 FGEDHM CC(C)(C)n1ncc2c1CCC[C@H]2N[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736309722 601100770 /nfs/dbraw/zinc/10/07/70/601100770.db2.gz HEDGCYAPAAIIJO-AEFFLSMTSA-N -1 3 352.438 3.303 20 30 FGEDHM Cn1c2ccccc2nc1C(C#N)C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000830969643 604152624 /nfs/dbraw/zinc/15/26/24/604152624.db2.gz XXNBUWVICKLHBT-JALIKCBVSA-N -1 3 366.421 3.061 20 30 FGEDHM N#Cc1cccc(SCC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000822837877 606328219 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JROQAGXAKKMXJV-LLVKDONJSA-N -1 3 366.812 3.209 20 30 FGEDHM C[C@H](Cc1ccccc1Cl)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000824457322 607829426 /nfs/dbraw/zinc/82/94/26/607829426.db2.gz JROQAGXAKKMXJV-LLVKDONJSA-N -1 3 366.812 3.209 20 30 FGEDHM N#Cc1cccc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826387068 607832859 /nfs/dbraw/zinc/83/28/59/607832859.db2.gz FLHMIJXJHUPCQN-UHFFFAOYSA-N -1 3 359.176 3.297 20 30 FGEDHM N#Cc1cccc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826387068 607832860 /nfs/dbraw/zinc/83/28/60/607832860.db2.gz FLHMIJXJHUPCQN-UHFFFAOYSA-N -1 3 359.176 3.297 20 30 FGEDHM Clc1cccc(-c2n[nH]cc2C=NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826352646 607885288 /nfs/dbraw/zinc/88/52/88/607885288.db2.gz JAIVGBBMBCMXQG-UHFFFAOYSA-N -1 3 364.800 3.356 20 30 FGEDHM Clc1cccc(-c2n[nH]cc2C=NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826352646 607885289 /nfs/dbraw/zinc/88/52/89/607885289.db2.gz JAIVGBBMBCMXQG-UHFFFAOYSA-N -1 3 364.800 3.356 20 30 FGEDHM CC#CCNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000823942524 608102423 /nfs/dbraw/zinc/10/24/23/608102423.db2.gz FFFWEUYAPFDIOM-UHFFFAOYSA-N -1 3 367.796 3.066 20 30 FGEDHM CC#CCNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000823942524 608102424 /nfs/dbraw/zinc/10/24/24/608102424.db2.gz FFFWEUYAPFDIOM-UHFFFAOYSA-N -1 3 367.796 3.066 20 30 FGEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826477065 608109532 /nfs/dbraw/zinc/10/95/32/608109532.db2.gz VAVLMYOZCLIZSL-GESOSKEOSA-N -1 3 368.400 3.214 20 30 FGEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826477065 608109533 /nfs/dbraw/zinc/10/95/33/608109533.db2.gz VAVLMYOZCLIZSL-GESOSKEOSA-N -1 3 368.400 3.214 20 30 FGEDHM N#Cc1ccccc1-c1ccc(CNc2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000826387383 608296614 /nfs/dbraw/zinc/29/66/14/608296614.db2.gz SHRUGUQFGBXYRE-UHFFFAOYSA-N -1 3 353.389 3.412 20 30 FGEDHM N#Cc1ccccc1-c1ccc(CNc2ccc(-c3nn[n-]n3)nc2)cc1 ZINC000826387383 608296615 /nfs/dbraw/zinc/29/66/15/608296615.db2.gz SHRUGUQFGBXYRE-UHFFFAOYSA-N -1 3 353.389 3.412 20 30 FGEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000823920137 608387335 /nfs/dbraw/zinc/38/73/35/608387335.db2.gz YEJQUCZWJPUGLL-UHFFFAOYSA-N -1 3 368.372 3.102 20 30 FGEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000823920137 608387337 /nfs/dbraw/zinc/38/73/37/608387337.db2.gz YEJQUCZWJPUGLL-UHFFFAOYSA-N -1 3 368.372 3.102 20 30 FGEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CSCCc3ccccc32)n1 ZINC000826350377 608535016 /nfs/dbraw/zinc/53/50/16/608535016.db2.gz SWIVVXNYNYKRPP-UHFFFAOYSA-N -1 3 371.857 3.021 20 30 FGEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CSCCc3ccccc32)n1 ZINC000826350377 608535017 /nfs/dbraw/zinc/53/50/17/608535017.db2.gz SWIVVXNYNYKRPP-UHFFFAOYSA-N -1 3 371.857 3.021 20 30 FGEDHM Cc1oc2ccccc2c1C=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826342671 608536195 /nfs/dbraw/zinc/53/61/95/608536195.db2.gz VMSRDFBQZCMINJ-UHFFFAOYSA-N -1 3 353.773 3.416 20 30 FGEDHM CCOc1cccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000825648903 608536240 /nfs/dbraw/zinc/53/62/40/608536240.db2.gz GIMJFWGNIFDPTR-UHFFFAOYSA-N -1 3 357.805 3.150 20 30 FGEDHM CCOc1cccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000825648903 608536241 /nfs/dbraw/zinc/53/62/41/608536241.db2.gz GIMJFWGNIFDPTR-UHFFFAOYSA-N -1 3 357.805 3.150 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000823909944 608621944 /nfs/dbraw/zinc/62/19/44/608621944.db2.gz SWQPOQBWFSQMDB-MRXNPFEDSA-N -1 3 354.458 3.143 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC(C)(C)C1 ZINC000823909944 608621945 /nfs/dbraw/zinc/62/19/45/608621945.db2.gz SWQPOQBWFSQMDB-MRXNPFEDSA-N -1 3 354.458 3.143 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC(C)(C)C1 ZINC000823909943 608622053 /nfs/dbraw/zinc/62/20/53/608622053.db2.gz SWQPOQBWFSQMDB-INIZCTEOSA-N -1 3 354.458 3.143 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC(C)(C)C1 ZINC000823909943 608622056 /nfs/dbraw/zinc/62/20/56/608622056.db2.gz SWQPOQBWFSQMDB-INIZCTEOSA-N -1 3 354.458 3.143 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ncccc1C(F)(F)F ZINC000823915111 608632063 /nfs/dbraw/zinc/63/20/63/608632063.db2.gz SFQODSAHJULLGT-UHFFFAOYSA-N -1 3 374.370 3.469 20 30 FGEDHM Cc1nccn1-c1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826330617 608880572 /nfs/dbraw/zinc/88/05/72/608880572.db2.gz AWHQKFKAWLACSS-OQFOIZHKSA-N -1 3 374.379 3.396 20 30 FGEDHM Cc1nccn1-c1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826330617 608880574 /nfs/dbraw/zinc/88/05/74/608880574.db2.gz AWHQKFKAWLACSS-OQFOIZHKSA-N -1 3 374.379 3.396 20 30 FGEDHM Cn1cc(C=CC(=O)c2ccc(F)cc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359648 609307946 /nfs/dbraw/zinc/30/79/46/609307946.db2.gz MSTDQFDKMBSRMU-FLIBITNWSA-N -1 3 374.379 3.302 20 30 FGEDHM Cn1cc(C=CC(=O)c2ccc(F)cc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359648 609307948 /nfs/dbraw/zinc/30/79/48/609307948.db2.gz MSTDQFDKMBSRMU-FLIBITNWSA-N -1 3 374.379 3.302 20 30 FGEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826380573 609386225 /nfs/dbraw/zinc/38/62/25/609386225.db2.gz FPYSZVCEXKKIRS-CZUORRHYSA-N -1 3 374.404 3.081 20 30 FGEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826380573 609386229 /nfs/dbraw/zinc/38/62/29/609386229.db2.gz FPYSZVCEXKKIRS-CZUORRHYSA-N -1 3 374.404 3.081 20 30 FGEDHM N#CCC1CCN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CC1 ZINC000826380988 609424048 /nfs/dbraw/zinc/42/40/48/609424048.db2.gz STWSXFOCFHZBCE-UHFFFAOYSA-N -1 3 372.432 3.300 20 30 FGEDHM N#CCC1CCN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CC1 ZINC000826380988 609424050 /nfs/dbraw/zinc/42/40/50/609424050.db2.gz STWSXFOCFHZBCE-UHFFFAOYSA-N -1 3 372.432 3.300 20 30 FGEDHM N#Cc1ccccc1Oc1ccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826387135 609445163 /nfs/dbraw/zinc/44/51/63/609445163.db2.gz HWLTUTYBWJDELF-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#Cc1ccccc1Oc1ccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826387135 609445164 /nfs/dbraw/zinc/44/51/64/609445164.db2.gz HWLTUTYBWJDELF-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM COc1cc(C(C)=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1O ZINC000826177287 609471097 /nfs/dbraw/zinc/47/10/97/609471097.db2.gz BLXDSBUJJOIHMA-UHFFFAOYSA-N -1 3 358.789 3.070 20 30 FGEDHM COc1cc(C(C)=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1O ZINC000826177287 609471099 /nfs/dbraw/zinc/47/10/99/609471099.db2.gz BLXDSBUJJOIHMA-UHFFFAOYSA-N -1 3 358.789 3.070 20 30 FGEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000823958079 609472808 /nfs/dbraw/zinc/47/28/08/609472808.db2.gz BCVVBPDYRMCICM-UHFFFAOYSA-N -1 3 357.761 3.264 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1[N+](=O)[O-] ZINC000823958079 609472810 /nfs/dbraw/zinc/47/28/10/609472810.db2.gz BCVVBPDYRMCICM-UHFFFAOYSA-N -1 3 357.761 3.264 20 30 FGEDHM CC1(C#N)CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000824779776 609561886 /nfs/dbraw/zinc/56/18/86/609561886.db2.gz WLWJPNMYJNKXGU-UHFFFAOYSA-N -1 3 371.807 3.337 20 30 FGEDHM CC1(C#N)CCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000824779776 609561888 /nfs/dbraw/zinc/56/18/88/609561888.db2.gz WLWJPNMYJNKXGU-UHFFFAOYSA-N -1 3 371.807 3.337 20 30 FGEDHM Cc1nc(C)c(C#N)c(SCc2cc(=O)oc3c(C)c([O-])ccc23)n1 ZINC000078685270 700284958 /nfs/dbraw/zinc/28/49/58/700284958.db2.gz JQEUABZXZZHKAW-UHFFFAOYSA-N -1 3 353.403 3.378 20 30 FGEDHM CCOc1ncc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)cc1Cl ZINC000112483901 700560144 /nfs/dbraw/zinc/56/01/44/700560144.db2.gz DJQSXHAAINPBSI-AWEZNQCLSA-N -1 3 357.797 3.403 20 30 FGEDHM CN(C)c1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)cc(Cl)n1 ZINC000113650768 700573575 /nfs/dbraw/zinc/57/35/75/700573575.db2.gz GNNMIPZZGYKRKP-LBPRGKRZSA-N -1 3 353.813 3.178 20 30 FGEDHM N#C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000619781917 714870503 /nfs/dbraw/zinc/87/05/03/714870503.db2.gz DWRAJTWPKIAQAZ-GOSISDBHSA-N -1 3 355.825 3.068 20 30 FGEDHM C=CCOCCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000657149529 719575245 /nfs/dbraw/zinc/57/52/45/719575245.db2.gz MSSKVXMEONFEFI-UHFFFAOYSA-N -1 3 357.781 3.230 20 30 FGEDHM COC(=O)CN(Cc1ccc(CC#N)cc1)Cc1cc(Cl)ccc1[O-] ZINC000784177632 724828936 /nfs/dbraw/zinc/82/89/36/724828936.db2.gz AZKITVBFJBZVNJ-UHFFFAOYSA-N -1 3 358.825 3.287 20 30 FGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1sc(C(C)C)nc1C ZINC000751131069 722795825 /nfs/dbraw/zinc/79/58/25/722795825.db2.gz PDQDIOGUDAZPGM-UHFFFAOYSA-N -1 3 351.497 3.419 20 30 FGEDHM CCSc1cc(C([O-])=C(C#N)C(=O)Nc2cccc(OC)c2)ccn1 ZINC000755602451 722954808 /nfs/dbraw/zinc/95/48/08/722954808.db2.gz MFYBFONEFUIJTP-HNNXBMFYSA-N -1 3 355.419 3.163 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1csc(Cl)n1 ZINC000789776709 723072792 /nfs/dbraw/zinc/07/27/92/723072792.db2.gz TXFZNLYDMNVMGE-UHFFFAOYSA-N -1 3 351.815 3.062 20 30 FGEDHM C=CCn1c(Cc2ccccc2)nnc1SCc1nc(C)cc(=O)[n-]1 ZINC000761865688 723191526 /nfs/dbraw/zinc/19/15/26/723191526.db2.gz WNLKTDJGTARRTH-UHFFFAOYSA-N -1 3 353.451 3.151 20 30 FGEDHM C#C[C@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccc(Cl)cc1F ZINC000794736639 723543750 /nfs/dbraw/zinc/54/37/50/723543750.db2.gz PMIBMNDAYCGTGX-OBHPCNEJSA-N -1 3 354.768 3.054 20 30 FGEDHM C=C(C)Cn1c(SCc2nc(C)cc(=O)[n-]2)nnc1-c1ccncc1 ZINC000768415199 723657050 /nfs/dbraw/zinc/65/70/50/723657050.db2.gz OWWJWVKDAJHJBB-UHFFFAOYSA-N -1 3 354.439 3.013 20 30 FGEDHM CC(=O)N1C[C@@H]2CCC[C@H](/N=C/c3cc(Br)ccc3[O-])[C@H]2C1 ZINC000809144653 725231816 /nfs/dbraw/zinc/23/18/16/725231816.db2.gz QAWCNNHZTWVVRF-JOZNNFSHSA-N -1 3 365.271 3.221 20 30 FGEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(Cl)cc1 ZINC000810100670 725288807 /nfs/dbraw/zinc/28/88/07/725288807.db2.gz PQUGSDKHQSPXKM-AWEZNQCLSA-N -1 3 368.773 3.040 20 30 FGEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cccc(C#N)n1 ZINC000810532864 725313065 /nfs/dbraw/zinc/31/30/65/725313065.db2.gz HPYOCEDMPBNFJH-ZDUSSCGKSA-N -1 3 359.172 3.221 20 30 FGEDHM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811393908 725361484 /nfs/dbraw/zinc/36/14/84/725361484.db2.gz HMDYYXYSWRIPEH-FVMDXXJSSA-N -1 3 367.858 3.483 20 30 FGEDHM C=CCCCCCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000811590224 725374319 /nfs/dbraw/zinc/37/43/19/725374319.db2.gz UNOUAUZHYLYBJZ-UHFFFAOYSA-N -1 3 354.472 3.020 20 30 FGEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1cscc1C(F)(F)F ZINC000811642951 725375575 /nfs/dbraw/zinc/37/55/75/725375575.db2.gz MJXZYMZSLBROQB-UHFFFAOYSA-N -1 3 362.398 3.263 20 30 FGEDHM CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1cccc([O-])c1F ZINC000819440576 727375589 /nfs/dbraw/zinc/37/55/89/727375589.db2.gz SXGJDEXHQKIKOQ-LBPRGKRZSA-N -1 3 351.378 3.057 20 30 FGEDHM C#CC[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000826732660 729413536 /nfs/dbraw/zinc/41/35/36/729413536.db2.gz OHANAPTYZQQYGT-GFCCVEGCSA-N -1 3 351.244 3.100 20 30 FGEDHM C=CCC1(C(=O)N2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)CCCCC1 ZINC000832216204 729697241 /nfs/dbraw/zinc/69/72/41/729697241.db2.gz YIOJZNOKXFMHQY-CQSZACIVSA-N -1 3 360.420 3.430 20 30 FGEDHM C=CCC(F)(F)C(=O)[N-][C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000844004862 730678362 /nfs/dbraw/zinc/67/83/62/730678362.db2.gz SHMIQWSJCZPIAY-LBPRGKRZSA-N -1 3 353.287 3.336 20 30 FGEDHM C[C@@H](C(=O)OC(C)(C)C)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845832574 730900909 /nfs/dbraw/zinc/90/09/09/730900909.db2.gz FCNCTSSBEKHZIT-DGCLKSJQSA-N -1 3 361.463 3.496 20 30 FGEDHM C=C[C@H](C)O[N-]C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000846552192 730962528 /nfs/dbraw/zinc/96/25/28/730962528.db2.gz ZULKIHRQTWGFTQ-AAEUAGOBSA-N -1 3 371.264 3.468 20 30 FGEDHM NC(=O)CC1(C/N=C/c2cc(Br)ccc2[O-])CCCCC1 ZINC000852998278 731648390 /nfs/dbraw/zinc/64/83/90/731648390.db2.gz JWYHHYZTWYJILJ-VXLYETTFSA-N -1 3 353.260 3.400 20 30 FGEDHM C=CCCO[N-]C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000856029947 731977358 /nfs/dbraw/zinc/97/73/58/731977358.db2.gz JRBFHOSOLWUMTG-ZDUSSCGKSA-N -1 3 371.264 3.470 20 30 FGEDHM C=CCOc1c(Cl)cc(CN[C@H](CC(F)(F)F)C(=O)[O-])cc1OC ZINC000864511101 733069963 /nfs/dbraw/zinc/06/99/63/733069963.db2.gz NZXMZWPSIXQUPX-LLVKDONJSA-N -1 3 367.751 3.409 20 30 FGEDHM N#Cc1ccccc1NC(=O)CCCC(=O)[N-]OCCCC(F)(F)F ZINC000871213615 733923454 /nfs/dbraw/zinc/92/34/54/733923454.db2.gz VMDXRCXXNIRDBN-UHFFFAOYSA-N -1 3 357.332 3.057 20 30 FGEDHM CC1(C)CCc2onc(C[N-]S(=O)(=O)CC3(C#N)CCCCC3)c2C1 ZINC000872577176 735648753 /nfs/dbraw/zinc/64/87/53/735648753.db2.gz YQNLESAVIMPKAW-UHFFFAOYSA-N -1 3 365.499 3.083 20 30 FGEDHM CC[C@H](C)Sc1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c(C)c1 ZINC000878505677 736856766 /nfs/dbraw/zinc/85/67/66/736856766.db2.gz QOFJUWKPZIVYKV-SWLSCSKDSA-N -1 3 351.472 3.387 20 30 FGEDHM CC(C)(C)OC(=O)N1CCC(C(=O)N([O-])Cc2ccc(F)cc2)CC1 ZINC000901376139 743263049 /nfs/dbraw/zinc/26/30/49/743263049.db2.gz OSDAGBPMEFIXLN-UHFFFAOYSA-N -1 3 352.406 3.191 20 30 FGEDHM C=CCOc1c(Cl)cc(CN2C[C@@H](C)[C@](C)(C(=O)[O-])C2)cc1OC ZINC000901542159 743300322 /nfs/dbraw/zinc/30/03/22/743300322.db2.gz HZDXGKVNMKLKCF-KZULUSFZSA-N -1 3 353.846 3.456 20 30 FGEDHM CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173387 743935305 /nfs/dbraw/zinc/93/53/05/743935305.db2.gz LPQMTWZVOMPDHE-LBPRGKRZSA-N -1 3 362.348 3.092 20 30 FGEDHM CCn1ccnc1[C@@H](C)[N-]S(=O)(=O)c1c(C#N)sc2ccccc21 ZINC000907224249 744195689 /nfs/dbraw/zinc/19/56/89/744195689.db2.gz GXVIYKYLSKMMGX-LLVKDONJSA-N -1 3 360.464 3.029 20 30 FGEDHM COc1ccc(NC(=S)NN=C(C)c2cc(F)ccc2[O-])cc1OC ZINC000916621240 758109025 /nfs/dbraw/zinc/10/90/25/758109025.db2.gz LXVLESRMGLOOKM-UHFFFAOYSA-N -1 3 363.414 3.259 20 30 FGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1sccc1Br ZINC000920383496 758546719 /nfs/dbraw/zinc/54/67/19/758546719.db2.gz KOELHMZHFWAYCQ-UHFFFAOYSA-N -1 3 373.297 3.354 20 30 FGEDHM COc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1OC(F)F ZINC000051266073 205180988 /nfs/dbraw/zinc/18/09/88/205180988.db2.gz SWMLDQBFSVMEGS-UHFFFAOYSA-N -1 3 352.219 3.070 20 30 FGEDHM COc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1OC(F)F ZINC000051266073 205180991 /nfs/dbraw/zinc/18/09/91/205180991.db2.gz SWMLDQBFSVMEGS-UHFFFAOYSA-N -1 3 352.219 3.070 20 30 FGEDHM 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N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1Cl ZINC000737674778 598536562 /nfs/dbraw/zinc/53/65/62/598536562.db2.gz LNQSFTDKUFGLQP-CYBMUJFWSA-N -1 3 373.203 3.168 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)c1ccccc1F ZINC000735419378 598552917 /nfs/dbraw/zinc/55/29/17/598552917.db2.gz SFESFGDMMVIULM-AWEZNQCLSA-N -1 3 365.412 3.324 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)c1ccccc1F ZINC000735419378 598552918 /nfs/dbraw/zinc/55/29/18/598552918.db2.gz SFESFGDMMVIULM-AWEZNQCLSA-N -1 3 365.412 3.324 20 30 FGEDHM N#Cc1ccc(SCC(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000737723217 598650655 /nfs/dbraw/zinc/65/06/55/598650655.db2.gz SLGKARAWSPFGFS-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1ccc(SCC(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000737723217 598650656 /nfs/dbraw/zinc/65/06/56/598650656.db2.gz SLGKARAWSPFGFS-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM CCc1cc(C#N)c(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000736679366 598654762 /nfs/dbraw/zinc/65/47/62/598654762.db2.gz SEPMJZQYBCOSMA-UHFFFAOYSA-N -1 3 370.463 3.093 20 30 FGEDHM CCc1cc(C#N)c(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000736679366 598654763 /nfs/dbraw/zinc/65/47/63/598654763.db2.gz SEPMJZQYBCOSMA-UHFFFAOYSA-N -1 3 370.463 3.093 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCc1ccccc1C ZINC000735421379 598735701 /nfs/dbraw/zinc/73/57/01/598735701.db2.gz XUAPFTCDRQZIMN-UHFFFAOYSA-N -1 3 361.449 3.323 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCc1ccccc1C ZINC000735421379 598735702 /nfs/dbraw/zinc/73/57/02/598735702.db2.gz XUAPFTCDRQZIMN-UHFFFAOYSA-N -1 3 361.449 3.323 20 30 FGEDHM C[C@H](SCC(=O)Nc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191767 599331618 /nfs/dbraw/zinc/33/16/18/599331618.db2.gz WPWTYNDMRVIGDQ-LBPRGKRZSA-N -1 3 364.434 3.171 20 30 FGEDHM C[C@H](SCC(=O)Nc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191767 599331620 /nfs/dbraw/zinc/33/16/20/599331620.db2.gz WPWTYNDMRVIGDQ-LBPRGKRZSA-N -1 3 364.434 3.171 20 30 FGEDHM N#Cc1ccc(-c2nnc(CSc3ccccc3-c3nnn[n-]3)o2)cc1 ZINC000822823260 599347747 /nfs/dbraw/zinc/34/77/47/599347747.db2.gz NSBKDXUJCGBJAF-UHFFFAOYSA-N -1 3 361.390 3.081 20 30 FGEDHM N#Cc1ccc(-c2nnc(CSc3ccccc3-c3nn[n-]n3)o2)cc1 ZINC000822823260 599347749 /nfs/dbraw/zinc/34/77/49/599347749.db2.gz NSBKDXUJCGBJAF-UHFFFAOYSA-N -1 3 361.390 3.081 20 30 FGEDHM COc1ccc(C#N)cc1CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821770926 607371898 /nfs/dbraw/zinc/37/18/98/607371898.db2.gz ZXNCQQIMCYTUMB-UHFFFAOYSA-N -1 3 374.326 3.378 20 30 FGEDHM COc1ccc(C#N)cc1CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821770926 607371900 /nfs/dbraw/zinc/37/19/00/607371900.db2.gz ZXNCQQIMCYTUMB-UHFFFAOYSA-N -1 3 374.326 3.378 20 30 FGEDHM CC(C)Oc1ccc(NCc2cc(C#N)ccc2F)cc1-c1nnn[n-]1 ZINC000820173546 607372183 /nfs/dbraw/zinc/37/21/83/607372183.db2.gz HHKGKZYNMGNVJC-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM CC(C)Oc1ccc(NCc2cc(C#N)ccc2F)cc1-c1nn[n-]n1 ZINC000820173546 607372184 /nfs/dbraw/zinc/37/21/84/607372184.db2.gz HHKGKZYNMGNVJC-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM Cc1nc(C)c(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000737474894 599458121 /nfs/dbraw/zinc/45/81/21/599458121.db2.gz XOMNOKDSZCAQLH-UHFFFAOYSA-N -1 3 367.360 3.405 20 30 FGEDHM Cc1nc(C)c(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000737474894 599458123 /nfs/dbraw/zinc/45/81/23/599458123.db2.gz XOMNOKDSZCAQLH-UHFFFAOYSA-N -1 3 367.360 3.405 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(Cl)cc1 ZINC000737804719 599459093 /nfs/dbraw/zinc/45/90/93/599459093.db2.gz DYVJYFFKRZSHDX-VOTSOKGWSA-N -1 3 350.769 3.064 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(Cl)cc1 ZINC000737804719 599459095 /nfs/dbraw/zinc/45/90/95/599459095.db2.gz DYVJYFFKRZSHDX-VOTSOKGWSA-N -1 3 350.769 3.064 20 30 FGEDHM C=CCCCN(C)c1c(-c2nnn[n-]2)cnc2ccc(OC(F)F)cc21 ZINC000735413406 599472085 /nfs/dbraw/zinc/47/20/85/599472085.db2.gz UMCOKZPNUBLHKP-UHFFFAOYSA-N -1 3 360.368 3.419 20 30 FGEDHM C=CCCCN(C)c1c(-c2nn[n-]n2)cnc2ccc(OC(F)F)cc21 ZINC000735413406 599472087 /nfs/dbraw/zinc/47/20/87/599472087.db2.gz UMCOKZPNUBLHKP-UHFFFAOYSA-N -1 3 360.368 3.419 20 30 FGEDHM CCCCCCCC(=O)OCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821048649 599657011 /nfs/dbraw/zinc/65/70/11/599657011.db2.gz FBYSSDKIGOGWIL-UHFFFAOYSA-N -1 3 370.413 3.320 20 30 FGEDHM CCCCCCCC(=O)OCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000821048649 599657012 /nfs/dbraw/zinc/65/70/12/599657012.db2.gz FBYSSDKIGOGWIL-UHFFFAOYSA-N -1 3 370.413 3.320 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)C[C@@H](C)CC ZINC000819743095 599678460 /nfs/dbraw/zinc/67/84/60/599678460.db2.gz CGWZIJBRQKCYPB-LSDHHAIUSA-N -1 3 356.474 3.389 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)C[C@@H](C)CC ZINC000819743095 599678461 /nfs/dbraw/zinc/67/84/61/599678461.db2.gz CGWZIJBRQKCYPB-LSDHHAIUSA-N -1 3 356.474 3.389 20 30 FGEDHM N#Cc1ccc(CN2CCCN(Cc3ccc(F)cc3C(=O)[O-])CC2)cc1 ZINC000739116664 600084482 /nfs/dbraw/zinc/08/44/82/600084482.db2.gz BOSRTZHKHPJPFV-UHFFFAOYSA-N -1 3 367.424 3.103 20 30 FGEDHM CC(C)c1nc([C@@H]2CCCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)C2)no1 ZINC000736524926 600566117 /nfs/dbraw/zinc/56/61/17/600566117.db2.gz LEJQNJJWDCKLKN-CVEARBPZSA-N -1 3 354.410 3.070 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cnn1-c1ccccc1 ZINC000822015314 607458438 /nfs/dbraw/zinc/45/84/38/607458438.db2.gz HZJKYTNWGWVIMZ-MDZDMXLPSA-N -1 3 374.379 3.396 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cnn1-c1ccccc1 ZINC000822015314 607458439 /nfs/dbraw/zinc/45/84/39/607458439.db2.gz HZJKYTNWGWVIMZ-MDZDMXLPSA-N -1 3 374.379 3.396 20 30 FGEDHM N#CC(C(=O)Nc1cccc2ccccc21)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833064609 601237070 /nfs/dbraw/zinc/23/70/70/601237070.db2.gz SVWLXTJXMKYHJY-ZOBUZTSGSA-N -1 3 364.401 3.378 20 30 FGEDHM COc1cc([C@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc(OC)c1OC ZINC000831956674 601300881 /nfs/dbraw/zinc/30/08/81/601300881.db2.gz YKFLSQHVJHJYQK-SGTLLEGYSA-N -1 3 370.405 3.061 20 30 FGEDHM CC(C)c1nc([C@H]2CCCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)C2)no1 ZINC000827144566 601312136 /nfs/dbraw/zinc/31/21/36/601312136.db2.gz OCZQURRKYRUOQR-JKSUJKDBSA-N -1 3 354.410 3.070 20 30 FGEDHM CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)CC1(NC(=O)[O-])CCC1 ZINC000827595806 604253423 /nfs/dbraw/zinc/25/34/23/604253423.db2.gz OJHWSHRSBYXYRW-OAHLLOKOSA-N -1 3 371.437 3.039 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000826245318 607698042 /nfs/dbraw/zinc/69/80/42/607698042.db2.gz UNXVTHHKCQILKJ-RBUKOAKNSA-N -1 3 372.432 3.087 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000826245318 607698044 /nfs/dbraw/zinc/69/80/44/607698044.db2.gz UNXVTHHKCQILKJ-RBUKOAKNSA-N -1 3 372.432 3.087 20 30 FGEDHM N#Cc1cc(-c2nnn[n-]2)c(S[C@H]2CCc3c2cccc3Cl)nc1N ZINC000826383835 607710516 /nfs/dbraw/zinc/71/05/16/607710516.db2.gz SJVOWPYYLXQXFQ-ZDUSSCGKSA-N -1 3 369.841 3.149 20 30 FGEDHM N#Cc1cc(-c2nn[n-]n2)c(S[C@H]2CCc3c2cccc3Cl)nc1N ZINC000826383835 607710517 /nfs/dbraw/zinc/71/05/17/607710517.db2.gz SJVOWPYYLXQXFQ-ZDUSSCGKSA-N -1 3 369.841 3.149 20 30 FGEDHM CCN(CC#N)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821165869 606316666 /nfs/dbraw/zinc/31/66/66/606316666.db2.gz XQCVMTSSCOMYQR-UHFFFAOYSA-N -1 3 364.434 3.004 20 30 FGEDHM CCN(CC#N)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821165869 606316667 /nfs/dbraw/zinc/31/66/67/606316667.db2.gz XQCVMTSSCOMYQR-UHFFFAOYSA-N -1 3 364.434 3.004 20 30 FGEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819857730 606508732 /nfs/dbraw/zinc/50/87/32/606508732.db2.gz URHNGPQXNKOOLG-SNVBAGLBSA-N -1 3 370.463 3.432 20 30 FGEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819857730 606508734 /nfs/dbraw/zinc/50/87/34/606508734.db2.gz URHNGPQXNKOOLG-SNVBAGLBSA-N -1 3 370.463 3.432 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C)cc1F ZINC000819745920 606537563 /nfs/dbraw/zinc/53/75/63/606537563.db2.gz UWPWLFBBBCOIIA-UHFFFAOYSA-N -1 3 351.385 3.143 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(C)cc1F ZINC000819745920 606537565 /nfs/dbraw/zinc/53/75/65/606537565.db2.gz UWPWLFBBBCOIIA-UHFFFAOYSA-N -1 3 351.385 3.143 20 30 FGEDHM CN(CCC#N)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000821598170 606642108 /nfs/dbraw/zinc/64/21/08/606642108.db2.gz TUARZEXDLUNVSI-UHFFFAOYSA-N -1 3 363.381 3.036 20 30 FGEDHM CN(CCC#N)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000821598170 606642109 /nfs/dbraw/zinc/64/21/09/606642109.db2.gz TUARZEXDLUNVSI-UHFFFAOYSA-N -1 3 363.381 3.036 20 30 FGEDHM CCc1c(C)sc(NC(=O)c2c(F)cc(C#N)cc2F)c1-c1nnn[n-]1 ZINC000821465480 606676992 /nfs/dbraw/zinc/67/69/92/606676992.db2.gz IWDGKOACFHRDET-UHFFFAOYSA-N -1 3 374.376 3.201 20 30 FGEDHM C#CCN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCC1 ZINC000819697800 606763779 /nfs/dbraw/zinc/76/37/79/606763779.db2.gz KZIRHYABYJKARP-UHFFFAOYSA-N -1 3 360.874 3.095 20 30 FGEDHM C#CCN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCC1 ZINC000819697800 606763781 /nfs/dbraw/zinc/76/37/81/606763781.db2.gz KZIRHYABYJKARP-UHFFFAOYSA-N -1 3 360.874 3.095 20 30 FGEDHM C=C[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819729988 606834055 /nfs/dbraw/zinc/83/40/55/606834055.db2.gz OSRZLZVPHPSYEN-GFCCVEGCSA-N -1 3 350.382 3.355 20 30 FGEDHM C=C[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819729988 606834057 /nfs/dbraw/zinc/83/40/57/606834057.db2.gz OSRZLZVPHPSYEN-GFCCVEGCSA-N -1 3 350.382 3.355 20 30 FGEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(Cl)cc1F ZINC000822177258 607144068 /nfs/dbraw/zinc/14/40/68/607144068.db2.gz WWXBBUFKKODOSL-UHFFFAOYSA-N -1 3 356.748 3.092 20 30 FGEDHM Cc1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(Cl)cc1F ZINC000822177258 607144070 /nfs/dbraw/zinc/14/40/70/607144070.db2.gz WWXBBUFKKODOSL-UHFFFAOYSA-N -1 3 356.748 3.092 20 30 FGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000822922189 607151726 /nfs/dbraw/zinc/15/17/26/607151726.db2.gz CWZNJIHVWXISQL-DHZHZOJOSA-N -1 3 356.389 3.008 20 30 FGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000822922189 607151728 /nfs/dbraw/zinc/15/17/28/607151728.db2.gz CWZNJIHVWXISQL-DHZHZOJOSA-N -1 3 356.389 3.008 20 30 FGEDHM CCC(CC)CN(CCC#N)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000825106588 607849453 /nfs/dbraw/zinc/84/94/53/607849453.db2.gz GBPUBSDPVYALJN-UHFFFAOYSA-N -1 3 367.379 3.437 20 30 FGEDHM CCC(CC)CN(CCC#N)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000825106588 607849454 /nfs/dbraw/zinc/84/94/54/607849454.db2.gz GBPUBSDPVYALJN-UHFFFAOYSA-N -1 3 367.379 3.437 20 30 FGEDHM C=CCc1cc(OCC)ccc1OC[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823937186 607871536 /nfs/dbraw/zinc/87/15/36/607871536.db2.gz LMVNTPAISZDPJE-SFHVURJKSA-N -1 3 366.421 3.106 20 30 FGEDHM C=CCc1cc(OCC)ccc1OC[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823937186 607871537 /nfs/dbraw/zinc/87/15/37/607871537.db2.gz LMVNTPAISZDPJE-SFHVURJKSA-N -1 3 366.421 3.106 20 30 FGEDHM Cc1cccc(N=C2NC(=O)C(=Cc3ccccc3-c3nnn[n-]3)S2)c1 ZINC000826299331 607883648 /nfs/dbraw/zinc/88/36/48/607883648.db2.gz ABDOBACYXGRHED-XNTDXEJSSA-N -1 3 362.418 3.067 20 30 FGEDHM Cc1cccc(N=C2NC(=O)C(=Cc3ccccc3-c3nn[n-]n3)S2)c1 ZINC000826299331 607883649 /nfs/dbraw/zinc/88/36/49/607883649.db2.gz ABDOBACYXGRHED-XNTDXEJSSA-N -1 3 362.418 3.067 20 30 FGEDHM C#CC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000823838552 607959730 /nfs/dbraw/zinc/95/97/30/607959730.db2.gz REALQRZAFBOAOD-INIZCTEOSA-N -1 3 366.812 3.406 20 30 FGEDHM C#CC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000823838552 607959731 /nfs/dbraw/zinc/95/97/31/607959731.db2.gz REALQRZAFBOAOD-INIZCTEOSA-N -1 3 366.812 3.406 20 30 FGEDHM C=CCc1ccc(OCc2ccc(OC)c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000823937117 607971432 /nfs/dbraw/zinc/97/14/32/607971432.db2.gz IRGYKLRMNUMBDO-UHFFFAOYSA-N -1 3 352.394 3.191 20 30 FGEDHM C=CCc1ccc(OCc2ccc(OC)c(-c3nn[n-]n3)c2)c(OC)c1 ZINC000823937117 607971433 /nfs/dbraw/zinc/97/14/33/607971433.db2.gz IRGYKLRMNUMBDO-UHFFFAOYSA-N -1 3 352.394 3.191 20 30 FGEDHM CC(N=Nc1cccc(-c2nnn[n-]2)c1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000823958132 608053618 /nfs/dbraw/zinc/05/36/18/608053618.db2.gz DNKDGWKMBKNIMT-GFCCVEGCSA-N -1 3 365.397 3.442 20 30 FGEDHM CC(N=Nc1cccc(-c2nn[n-]n2)c1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000823958132 608053619 /nfs/dbraw/zinc/05/36/19/608053619.db2.gz DNKDGWKMBKNIMT-GFCCVEGCSA-N -1 3 365.397 3.442 20 30 FGEDHM N#Cc1ccc(SCCCCSc2ccc(-c3nnn[n-]3)cn2)nc1 ZINC000826386193 608110935 /nfs/dbraw/zinc/11/09/35/608110935.db2.gz TTXXKEFXBKWLEM-UHFFFAOYSA-N -1 3 369.479 3.193 20 30 FGEDHM N#Cc1ccc(SCCCCSc2ccc(-c3nn[n-]n3)cn2)nc1 ZINC000826386193 608110936 /nfs/dbraw/zinc/11/09/36/608110936.db2.gz TTXXKEFXBKWLEM-UHFFFAOYSA-N -1 3 369.479 3.193 20 30 FGEDHM O=C1c2cccc(Br)c2CC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476844 608288763 /nfs/dbraw/zinc/28/87/63/608288763.db2.gz QJEKWFMCICKFIF-DHZHZOJOSA-N -1 3 367.206 3.452 20 30 FGEDHM O=C1c2cccc(Br)c2CC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476844 608288765 /nfs/dbraw/zinc/28/87/65/608288765.db2.gz QJEKWFMCICKFIF-DHZHZOJOSA-N -1 3 367.206 3.452 20 30 FGEDHM N#Cc1ccc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(F)c1 ZINC000826385022 608462727 /nfs/dbraw/zinc/46/27/27/608462727.db2.gz UEVXGVSUUUXNJF-UHFFFAOYSA-N -1 3 360.396 3.167 20 30 FGEDHM C[C@@H](C#N)CN(C)Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824034328 608596442 /nfs/dbraw/zinc/59/64/42/608596442.db2.gz IOLXESORIXVNLJ-HNNXBMFYSA-N -1 3 362.437 3.037 20 30 FGEDHM C[C@@H](C#N)CN(C)Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824034328 608596443 /nfs/dbraw/zinc/59/64/43/608596443.db2.gz IOLXESORIXVNLJ-HNNXBMFYSA-N -1 3 362.437 3.037 20 30 FGEDHM CC(=NN=c1[nH]c2ccccc2s1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962001 609158107 /nfs/dbraw/zinc/15/81/07/609158107.db2.gz CVQYWUNQSJNRIS-UHFFFAOYSA-N -1 3 353.386 3.452 20 30 FGEDHM CC(=NN=c1[nH]c2ccccc2s1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962001 609158109 /nfs/dbraw/zinc/15/81/09/609158109.db2.gz CVQYWUNQSJNRIS-UHFFFAOYSA-N -1 3 353.386 3.452 20 30 FGEDHM CC(N=Nc1cccc(C(F)(F)F)n1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962598 609159745 /nfs/dbraw/zinc/15/97/45/609159745.db2.gz MCHAQRLGASZOPD-UHFFFAOYSA-N -1 3 365.294 3.256 20 30 FGEDHM CC(N=Nc1cccc(C(F)(F)F)n1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962598 609159746 /nfs/dbraw/zinc/15/97/46/609159746.db2.gz MCHAQRLGASZOPD-UHFFFAOYSA-N -1 3 365.294 3.256 20 30 FGEDHM CCNc1ccc(C#N)cc1NCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000825481341 609179384 /nfs/dbraw/zinc/17/93/84/609179384.db2.gz XITARLGIBDUCDM-UHFFFAOYSA-N -1 3 363.425 3.051 20 30 FGEDHM O=C(C=Cc1cnc(-c2ccccc2)nc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403648 609273032 /nfs/dbraw/zinc/27/30/32/609273032.db2.gz YERAGQQZCIZSOB-TWGQIWQCSA-N -1 3 372.363 3.359 20 30 FGEDHM O=C(C=Cc1cnc(-c2ccccc2)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403648 609273033 /nfs/dbraw/zinc/27/30/33/609273033.db2.gz YERAGQQZCIZSOB-TWGQIWQCSA-N -1 3 372.363 3.359 20 30 FGEDHM O=C(C=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399792 609274726 /nfs/dbraw/zinc/27/47/26/609274726.db2.gz GCFQRXJLMFWTJF-QHHAFSJGSA-N -1 3 373.731 3.464 20 30 FGEDHM O=C(C=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399792 609274727 /nfs/dbraw/zinc/27/47/27/609274727.db2.gz GCFQRXJLMFWTJF-QHHAFSJGSA-N -1 3 373.731 3.464 20 30 FGEDHM Cc1cc(C)cc(NN=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826264072 609304459 /nfs/dbraw/zinc/30/44/59/609304459.db2.gz AXNBYEHYVPRBFY-UHFFFAOYSA-N -1 3 372.436 3.330 20 30 FGEDHM Cc1cc(C)cc(NN=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826264072 609304461 /nfs/dbraw/zinc/30/44/61/609304461.db2.gz AXNBYEHYVPRBFY-UHFFFAOYSA-N -1 3 372.436 3.330 20 30 FGEDHM Cc1nnc(SCC#Cc2ccc(Cl)cc2)c(-c2nnn[n-]2)c1C ZINC000826336662 609305928 /nfs/dbraw/zinc/30/59/28/609305928.db2.gz IGAMDHLPFXLUNO-UHFFFAOYSA-N -1 3 356.842 3.071 20 30 FGEDHM Cc1nnc(SCC#Cc2ccc(Cl)cc2)c(-c2nn[n-]n2)c1C ZINC000826336662 609305930 /nfs/dbraw/zinc/30/59/30/609305930.db2.gz IGAMDHLPFXLUNO-UHFFFAOYSA-N -1 3 356.842 3.071 20 30 FGEDHM CC(C)(C#N)COC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000824058876 609354736 /nfs/dbraw/zinc/35/47/36/609354736.db2.gz GVCIRSBROMLEKL-UHFFFAOYSA-N -1 3 363.377 3.366 20 30 FGEDHM CC(C)(C#N)COC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000824058876 609354738 /nfs/dbraw/zinc/35/47/38/609354738.db2.gz GVCIRSBROMLEKL-UHFFFAOYSA-N -1 3 363.377 3.366 20 30 FGEDHM CC(C)CN(CCC#N)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000824255243 609360845 /nfs/dbraw/zinc/36/08/45/609360845.db2.gz DSZCRXBEFIVJGC-UHFFFAOYSA-N -1 3 363.263 3.001 20 30 FGEDHM CC(C)CN(CCC#N)Cc1ccc(-c2nn[n-]n2)cc1Br ZINC000824255243 609360846 /nfs/dbraw/zinc/36/08/46/609360846.db2.gz DSZCRXBEFIVJGC-UHFFFAOYSA-N -1 3 363.263 3.001 20 30 FGEDHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)Nc1cccc(C#N)c1 ZINC000011809560 695602609 /nfs/dbraw/zinc/60/26/09/695602609.db2.gz ABDUCYNGLZUYDU-QMMMGPOBSA-N -1 3 352.177 3.377 20 30 FGEDHM C=CCNc1ncc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)s1 ZINC000128751893 700779360 /nfs/dbraw/zinc/77/93/60/700779360.db2.gz KXSKSRSMIDHHJJ-UHFFFAOYSA-N -1 3 357.464 3.436 20 30 FGEDHM Cc1cc([N-]S(=O)(=O)c2cccc(C#N)c2)ccc1N1CCSCC1 ZINC000133818694 704806359 /nfs/dbraw/zinc/80/63/59/704806359.db2.gz CJYAETKVHKWVGZ-UHFFFAOYSA-N -1 3 373.503 3.221 20 30 FGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])C=CSCc1ccco1 ZINC000150943129 704905858 /nfs/dbraw/zinc/90/58/58/704905858.db2.gz OHWFUEKMNQMETL-QSYFUGGGSA-N -1 3 356.403 3.383 20 30 FGEDHM [O-]c1c(O)ccc(C=Nc2ccc(I)cc2)c1O ZINC000255549665 713699346 /nfs/dbraw/zinc/69/93/46/713699346.db2.gz HLBXKXCSLSQYNG-UHFFFAOYSA-N -1 3 355.131 3.159 20 30 FGEDHM Cc1ccc(O)c(C=Nn2c(=S)[n-]nc2SCc2ccccc2)n1 ZINC000728780135 722454400 /nfs/dbraw/zinc/45/44/00/722454400.db2.gz WXDIWXLZLGGUIO-UHFFFAOYSA-N -1 3 357.464 3.150 20 30 FGEDHM N#Cc1ccc(OCCOC(=O)c2cccc(Br)c2[O-])cc1 ZINC000730363603 722467751 /nfs/dbraw/zinc/46/77/51/722467751.db2.gz BWTPMKSUTOERIG-UHFFFAOYSA-N -1 3 362.179 3.262 20 30 FGEDHM COc1cc(/C=C2/CCc3nn(C)cc3C2=O)cc(Br)c1[O-] ZINC000794962843 723553221 /nfs/dbraw/zinc/55/32/21/723553221.db2.gz YZOZEMXWDVISMI-YHYXMXQVSA-N -1 3 363.211 3.109 20 30 FGEDHM CC(N=Nc1nc(Br)cn2ccnc12)c1sccc1[O-] ZINC000769789945 723695473 /nfs/dbraw/zinc/69/54/73/723695473.db2.gz IPSVAPWOQXWUGZ-UHFFFAOYSA-N -1 3 352.217 3.095 20 30 FGEDHM C=CCCCC[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000770277303 723709971 /nfs/dbraw/zinc/70/99/71/723709971.db2.gz VWCUTXDJMWUQSO-UHFFFAOYSA-N -1 3 366.252 3.231 20 30 FGEDHM CC(C)Oc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)nc1 ZINC000774042194 723852115 /nfs/dbraw/zinc/85/21/15/723852115.db2.gz DPZUNUKYJHORHU-HNNXBMFYSA-N -1 3 357.797 3.483 20 30 FGEDHM C=CCN1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000805137082 725052476 /nfs/dbraw/zinc/05/24/76/725052476.db2.gz LWYXZGFRCMUBMW-UHFFFAOYSA-N -1 3 358.269 3.149 20 30 FGEDHM CC(=O)N1C[C@@H]2CCC[C@H](/N=C\c3cc(Br)ccc3[O-])[C@H]2C1 ZINC000809144654 725231829 /nfs/dbraw/zinc/23/18/29/725231829.db2.gz QAWCNNHZTWVVRF-QBRXXBSXSA-N -1 3 365.271 3.221 20 30 FGEDHM N#Cc1cc([O-])cc(C(=O)OCCCc2nc(-c3cccs3)no2)c1 ZINC000811184498 725349607 /nfs/dbraw/zinc/34/96/07/725349607.db2.gz PAMIZLOQXUJINR-UHFFFAOYSA-N -1 3 355.375 3.165 20 30 FGEDHM N#Cc1ccc(Br)c(COC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000811188153 725349638 /nfs/dbraw/zinc/34/96/38/725349638.db2.gz AOIPCGJLOXMBDR-UHFFFAOYSA-N -1 3 357.163 3.255 20 30 FGEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1ncc(-c2ccccc2)s1 ZINC000811642764 725375558 /nfs/dbraw/zinc/37/55/58/725375558.db2.gz FSMQETXZBHZDBQ-UHFFFAOYSA-N -1 3 371.487 3.306 20 30 FGEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)cc1C#N ZINC000825976954 729401308 /nfs/dbraw/zinc/40/13/08/729401308.db2.gz SRFMLLYWDKQGGX-UHFFFAOYSA-N -1 3 369.226 3.137 20 30 FGEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)cc1C#N ZINC000825976954 729401309 /nfs/dbraw/zinc/40/13/09/729401309.db2.gz SRFMLLYWDKQGGX-UHFFFAOYSA-N -1 3 369.226 3.137 20 30 FGEDHM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(Cl)c1C ZINC000826282196 729406943 /nfs/dbraw/zinc/40/69/43/729406943.db2.gz CDSVRVHSBFQPEP-UHFFFAOYSA-N -1 3 352.785 3.261 20 30 FGEDHM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(Cl)c1C ZINC000826282196 729406944 /nfs/dbraw/zinc/40/69/44/729406944.db2.gz CDSVRVHSBFQPEP-UHFFFAOYSA-N -1 3 352.785 3.261 20 30 FGEDHM N#Cc1ccc(F)c(CNc2ccc(Br)cc2-c2nnn[n-]2)c1 ZINC000826385581 729407992 /nfs/dbraw/zinc/40/79/92/729407992.db2.gz SFCFNLYEXWHESQ-UHFFFAOYSA-N -1 3 373.189 3.252 20 30 FGEDHM N#Cc1ccc(F)c(CNc2ccc(Br)cc2-c2nn[n-]n2)c1 ZINC000826385581 729407995 /nfs/dbraw/zinc/40/79/95/729407995.db2.gz SFCFNLYEXWHESQ-UHFFFAOYSA-N -1 3 373.189 3.252 20 30 FGEDHM C[C@]1(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@]1(F)Cl ZINC000845980907 730915161 /nfs/dbraw/zinc/91/51/61/730915161.db2.gz MSJCQPVXBCAFCU-STQMWFEESA-N -1 3 351.230 3.195 20 30 FGEDHM C=CCCn1cc(CN(CC)Cc2cc(Br)ccc2[O-])nn1 ZINC000846806051 730982194 /nfs/dbraw/zinc/98/21/94/730982194.db2.gz CQHDDZYQJUUCDP-UHFFFAOYSA-N -1 3 365.275 3.344 20 30 FGEDHM COCc1csc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000857042738 732094160 /nfs/dbraw/zinc/09/41/60/732094160.db2.gz XTKKJFFVRZWBLO-UHFFFAOYSA-N -1 3 360.435 3.160 20 30 FGEDHM CCCCCCCNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000858113300 732181722 /nfs/dbraw/zinc/18/17/22/732181722.db2.gz PXPAUOHYEZGNNG-UHFFFAOYSA-N -1 3 351.413 3.057 20 30 FGEDHM CCOc1cc(C=Nn2c(SC)nnc2SC)cc(Cl)c1[O-] ZINC000872416912 735626403 /nfs/dbraw/zinc/62/64/03/735626403.db2.gz BJZDIQAPTFHKPK-UHFFFAOYSA-N -1 3 358.876 3.362 20 30 FGEDHM C#CCN1C(=O)c2ccccc2N[C@H]1c1c([O-])cccc1Br ZINC000877849581 736735545 /nfs/dbraw/zinc/73/55/45/736735545.db2.gz KBWKPVRXCAEPTE-MRXNPFEDSA-N -1 3 357.207 3.354 20 30 FGEDHM Cc1c(CSC(C)C)cccc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000878806123 736920402 /nfs/dbraw/zinc/92/04/02/736920402.db2.gz IHYUXSKKZFZWKI-HNNXBMFYSA-N -1 3 351.472 3.138 20 30 FGEDHM CCOCCn1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cn1 ZINC000901377861 743262989 /nfs/dbraw/zinc/26/29/89/743262989.db2.gz AIWUROOYRBVXPY-UHFFFAOYSA-N -1 3 358.225 3.258 20 30 FGEDHM CCOc1cc(/C=C/C(=O)c2cc(C)n(C)n2)cc(Br)c1[O-] ZINC000901556883 743304783 /nfs/dbraw/zinc/30/47/83/743304783.db2.gz MFXLFBYHJZHTDV-AATRIKPKSA-N -1 3 365.227 3.491 20 30 FGEDHM CCCCN([O-])C(=O)[C@H](CCSC)NC(=O)c1ccccc1Cl ZINC000904206625 743939021 /nfs/dbraw/zinc/93/90/21/743939021.db2.gz CVUFFQHKEGRYEB-AWEZNQCLSA-N -1 3 358.891 3.209 20 30 FGEDHM COC(=O)c1nc(C(=O)[N-]c2ccccc2SC[C@H](C)C#N)cs1 ZINC000906622719 744149723 /nfs/dbraw/zinc/14/97/23/744149723.db2.gz OHEKSXHVOQMKAE-SNVBAGLBSA-N -1 3 361.448 3.434 20 30 FGEDHM C=C(Cl)C[C@H](NC(=O)NC[C@H](c1ccsc1)N(CC)CC)C(=O)[O-] ZINC000908802248 744319170 /nfs/dbraw/zinc/31/91/70/744319170.db2.gz MLOVKUCLEOQGSS-UONOGXRCSA-N -1 3 373.906 3.026 20 30 FGEDHM O=C(Nc1ccc(C(F)(F)F)c(F)c1)[C@H]1CC[C@H](C(F)(F)F)[N-]C1=O ZINC000912835452 757382936 /nfs/dbraw/zinc/38/29/36/757382936.db2.gz JBNVNFPMVOAHNE-GMSGAONNSA-N -1 3 372.240 3.240 20 30 FGEDHM Cc1ncc(CO)c(/C=N\CCOc2ccc(C(F)(F)F)cc2)c1[O-] ZINC000915981206 758015611 /nfs/dbraw/zinc/01/56/11/758015611.db2.gz OEGUHDBVYMUPOD-NKVSQWTQSA-N -1 3 354.328 3.105 20 30 FGEDHM COc1cc(OC)cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000916908211 758152504 /nfs/dbraw/zinc/15/25/04/758152504.db2.gz ZTJJNVONRFJNRX-CQSZACIVSA-N -1 3 358.781 3.318 20 30 FGEDHM Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)nn1C ZINC000917520836 758232412 /nfs/dbraw/zinc/23/24/12/758232412.db2.gz VCFCKLVCRSWRPU-GFCCVEGCSA-N -1 3 364.377 3.004 20 30 FGEDHM N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3cc([O-])ccc3Cl)C2)nc1 ZINC000928719930 760246185 /nfs/dbraw/zinc/24/61/85/760246185.db2.gz GURWNSMULHJSDM-CYBMUJFWSA-N -1 3 356.813 3.029 20 30 FGEDHM Cn1ncc2cc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)cnc21 ZINC000577002022 505643077 /nfs/dbraw/zinc/64/30/77/505643077.db2.gz LTNXVRTVVUVQHK-GFCCVEGCSA-N -1 3 366.331 3.203 20 30 FGEDHM COc1ccccc1-c1nc(NC(=O)COCCc2ccccc2)n[n-]1 ZINC000059007920 493900954 /nfs/dbraw/zinc/90/09/54/493900954.db2.gz HMNDPLYSBKUYJA-UHFFFAOYSA-N -1 3 352.394 3.328 20 30 FGEDHM Cc1cc(C)nc(-n2cc(C([O-])=C(C#N)c3ccccn3)c(C(C)C)n2)n1 ZINC000076825394 493974821 /nfs/dbraw/zinc/97/48/21/493974821.db2.gz AWLURIRACYTLPT-OAHLLOKOSA-N -1 3 360.421 3.288 20 30 FGEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000040363814 494142025 /nfs/dbraw/zinc/14/20/25/494142025.db2.gz JSDVMVRCXWBKIQ-VIFPVBQESA-N -1 3 351.653 3.073 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-n2cccc2)c1 ZINC000044873585 494385991 /nfs/dbraw/zinc/38/59/91/494385991.db2.gz RPJDNECHYFDNLB-UHFFFAOYSA-N -1 3 360.417 3.225 20 30 FGEDHM CC(C)Oc1ccc(C#N)cc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000090371454 494460467 /nfs/dbraw/zinc/46/04/67/494460467.db2.gz XOROATJKPXYRAC-UHFFFAOYSA-N -1 3 352.316 3.060 20 30 FGEDHM COC(=O)c1cc(C(=O)[N-]c2sc(C)c(C)c2C#N)cc([N+](=O)[O-])c1 ZINC000020836532 494481791 /nfs/dbraw/zinc/48/17/91/494481791.db2.gz IOOOJYXFBXFNNG-UHFFFAOYSA-N -1 3 359.363 3.184 20 30 FGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CC23CCSCC3)c1 ZINC000580299590 505727170 /nfs/dbraw/zinc/72/71/70/505727170.db2.gz NNGVFZVIKFPIHN-GFCCVEGCSA-N -1 3 356.900 3.023 20 30 FGEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000577449780 505729697 /nfs/dbraw/zinc/72/96/97/505729697.db2.gz XJXFDKWXGLQHJQ-LBPRGKRZSA-N -1 3 352.765 3.329 20 30 FGEDHM N#Cc1cc2c(nc1[N-]C(=O)c1csc([C@H]3CCCO3)n1)CCCC2 ZINC000121955542 494898439 /nfs/dbraw/zinc/89/84/39/494898439.db2.gz PZUZTPYRJCPINC-OAHLLOKOSA-N -1 3 354.435 3.392 20 30 FGEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000127558675 494961915 /nfs/dbraw/zinc/96/19/15/494961915.db2.gz OWAAFOGOPCUPAL-UHFFFAOYSA-N -1 3 363.826 3.144 20 30 FGEDHM C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cc(OC)ccc2[O-])cc1 ZINC000098106739 495055685 /nfs/dbraw/zinc/05/56/85/495055685.db2.gz IZFMLHIAPFECAN-UHFFFAOYSA-N -1 3 366.417 3.467 20 30 FGEDHM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)ccc1C ZINC000123706594 495173872 /nfs/dbraw/zinc/17/38/72/495173872.db2.gz RLEOBWQQLRLBNC-UHFFFAOYSA-N -1 3 364.810 3.108 20 30 FGEDHM 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ZINC000162421340 496350989 /nfs/dbraw/zinc/35/09/89/496350989.db2.gz IVSVTVAFBOJRGB-CQSZACIVSA-N -1 3 361.195 3.158 20 30 FGEDHM N#Cc1ccc(CSc2nnc([N-]C(=O)c3ccc(F)cn3)s2)cc1 ZINC000181452096 496400937 /nfs/dbraw/zinc/40/09/37/496400937.db2.gz UYPHSNVFHGMWMP-UHFFFAOYSA-N -1 3 371.422 3.488 20 30 FGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCOc3ccccc32)c1 ZINC000184520592 496422424 /nfs/dbraw/zinc/42/24/24/496422424.db2.gz USKYQMHRLCECGP-ZDUSSCGKSA-N -1 3 362.838 3.056 20 30 FGEDHM N#Cc1ccccc1OCc1ccc(C(=O)[N-]c2n[nH]c(C3CCC3)n2)o1 ZINC000184581100 496449828 /nfs/dbraw/zinc/44/98/28/496449828.db2.gz LJWBPJKLPKCRRB-UHFFFAOYSA-N -1 3 363.377 3.368 20 30 FGEDHM CC[C@H](c1ccncc1)N(CC)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000157332073 496455236 /nfs/dbraw/zinc/45/52/36/496455236.db2.gz XVMLZIOPYZUKFB-LJQANCHMSA-N -1 3 366.465 3.191 20 30 FGEDHM N#CC1(CS(=O)(=O)[N-][C@@H](c2cccc(Cl)c2)c2ccccn2)CC1 ZINC000166037995 496677175 /nfs/dbraw/zinc/67/71/75/496677175.db2.gz JMQFNGOUPWZLSH-INIZCTEOSA-N -1 3 361.854 3.048 20 30 FGEDHM COCc1cccc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)c1 ZINC000273739201 496890972 /nfs/dbraw/zinc/89/09/72/496890972.db2.gz LVHIUDKLALWCQW-UHFFFAOYSA-N -1 3 364.405 3.257 20 30 FGEDHM C=CCC(CC=C)c1nc(-c2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)no1 ZINC000273794584 496910901 /nfs/dbraw/zinc/91/09/01/496910901.db2.gz RYITYWVCAHIFEL-IBGZPJMESA-N -1 3 352.394 3.027 20 30 FGEDHM CCCCCN(CCCOC)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000272590035 497673569 /nfs/dbraw/zinc/67/35/69/497673569.db2.gz MNFWFCIVCFXKSS-UHFFFAOYSA-N -1 3 361.486 3.264 20 30 FGEDHM C[C@@]1(C[C@H]2CCCN2C(=O)N[C@H]2CCCC(C)(C)C2)NC(=O)[N-]C1=O ZINC000329586297 497836561 /nfs/dbraw/zinc/83/65/61/497836561.db2.gz YJHJTGSXYGXZJB-JCGVRSQUSA-N -1 3 350.463 3.367 20 30 FGEDHM C#CCNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-] ZINC000301073108 497939408 /nfs/dbraw/zinc/93/94/08/497939408.db2.gz XLXAKCBDQIRKCO-UHFFFAOYSA-N -1 3 359.407 3.058 20 30 FGEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000285013829 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CC(=O)NCc1ccc(S(=O)(=O)[N-]C2C3CC4CC(C3)CC2C4)s1 ZINC000328745102 498924559 /nfs/dbraw/zinc/92/45/59/498924559.db2.gz KSWSEGCQHBEQGR-UHFFFAOYSA-N -1 3 368.524 3.328 20 30 FGEDHM N#Cc1cc(F)ccc1CS(=O)(=O)[N-][C@@H](c1ccccc1)[C@@H]1CCCO1 ZINC000295385704 498999685 /nfs/dbraw/zinc/99/96/85/498999685.db2.gz AVPWPCHVLGOPMC-OALUTQOASA-N -1 3 374.437 3.037 20 30 FGEDHM C#CCN(Cc1ccc(F)cc1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000299407035 499049901 /nfs/dbraw/zinc/04/99/01/499049901.db2.gz PDKUMFAXOHERFC-UHFFFAOYSA-N -1 3 365.408 3.009 20 30 FGEDHM C[C@H]([N-]S(=O)(=O)c1ccco1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000372597935 499151439 /nfs/dbraw/zinc/15/14/39/499151439.db2.gz DWHZCMRJUNUXPY-NSHDSACASA-N -1 3 359.432 3.314 20 30 FGEDHM COc1cc(Cl)cc(CN2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c1[O-] ZINC000369393812 499399021 /nfs/dbraw/zinc/39/90/21/499399021.db2.gz YCRYJHCNGBELJE-WMZOPIPTSA-N -1 3 350.846 3.481 20 30 FGEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000398208611 499567309 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30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2cccnc2)c(F)c1 ZINC000610085924 507093982 /nfs/dbraw/zinc/09/39/82/507093982.db2.gz XZVQACDUDPKJMO-LJQANCHMSA-N -1 3 367.405 3.160 20 30 FGEDHM CCOC(=O)c1sc([N-]C(=O)c2nc(C)ncc2Cl)c(C#N)c1C ZINC000610221111 507145256 /nfs/dbraw/zinc/14/52/56/507145256.db2.gz ZJLJWFPMRXHEIF-UHFFFAOYSA-N -1 3 364.814 3.109 20 30 FGEDHM CC[C@H](Cc1ccc(F)cc1)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000597887985 507156732 /nfs/dbraw/zinc/15/67/32/507156732.db2.gz WIYIOBPUUQUHLK-QGZVFWFLSA-N -1 3 369.440 3.485 20 30 FGEDHM CCS(=O)(=O)c1ccc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)cc1 ZINC000605363685 507160943 /nfs/dbraw/zinc/16/09/43/507160943.db2.gz YVDLCXKHTOYARU-OAHLLOKOSA-N -1 3 367.430 3.155 20 30 FGEDHM CC(C)c1ccc(C(=O)N2CCN(c3ccsc3C#N)CC2)c([O-])c1 ZINC000597937131 507185148 /nfs/dbraw/zinc/18/51/48/507185148.db2.gz SAQOWJGUVHTHTL-UHFFFAOYSA-N -1 3 355.463 3.411 20 30 FGEDHM Cc1nc2cc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)ccc2n1C ZINC000610310365 507187815 /nfs/dbraw/zinc/18/78/15/507187815.db2.gz YFPVMMORLSBEHZ-UHFFFAOYSA-N -1 3 363.421 3.042 20 30 FGEDHM N#CC1(C(=O)Nc2cc(I)ccc2[O-])CCCCC1 ZINC000610485882 507258427 /nfs/dbraw/zinc/25/84/27/507258427.db2.gz HFHAXJOJFWBYGC-UHFFFAOYSA-N -1 3 370.190 3.409 20 30 FGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2CCC3(CC3(F)F)CC2)c1 ZINC000594871358 507301801 /nfs/dbraw/zinc/30/18/01/507301801.db2.gz ZCVCXBPMPBUABB-UHFFFAOYSA-N -1 3 360.813 3.458 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000610785337 507389232 /nfs/dbraw/zinc/38/92/32/507389232.db2.gz KCLFNFCWZRPWHP-VIFPVBQESA-N -1 3 354.300 3.043 20 30 FGEDHM CCC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000611018858 507484655 /nfs/dbraw/zinc/48/46/55/507484655.db2.gz XVSDELXKHRUCGP-TZMCWYRMSA-N -1 3 351.428 3.104 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2cccnc2)CC1 ZINC000611256053 507584314 /nfs/dbraw/zinc/58/43/14/507584314.db2.gz HMICJZNFPWEZSG-UHFFFAOYSA-N -1 3 364.449 3.010 20 30 FGEDHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cccc(C#Cc2ccccc2)c1 ZINC000607103445 507612719 /nfs/dbraw/zinc/61/27/19/507612719.db2.gz GATRMBLXHNGPBV-FQEVSTJZSA-N -1 3 355.459 3.397 20 30 FGEDHM C=CC[C@H](C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000614828737 507668033 /nfs/dbraw/zinc/66/80/33/507668033.db2.gz XCGTUKSTEZYISW-INMHGKMJSA-N -1 3 367.449 3.226 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccccc2F)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737203517 599157345 /nfs/dbraw/zinc/15/73/45/599157345.db2.gz VBOFVKIPMQLQNY-FLIBITNWSA-N -1 3 374.379 3.396 20 30 FGEDHM CC(C)=CCOc1cccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000735678970 599193388 /nfs/dbraw/zinc/19/33/88/599193388.db2.gz BEWPAJVJTVUCKT-UHFFFAOYSA-N -1 3 374.404 3.336 20 30 FGEDHM CC(C)=CCOc1cccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000735678970 599193389 /nfs/dbraw/zinc/19/33/89/599193389.db2.gz BEWPAJVJTVUCKT-UHFFFAOYSA-N -1 3 374.404 3.336 20 30 FGEDHM C#CCCNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735374529 599193719 /nfs/dbraw/zinc/19/37/19/599193719.db2.gz JSJXNPROPHRJNW-UHFFFAOYSA-N -1 3 367.796 3.066 20 30 FGEDHM C#CCCNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735374529 599193721 /nfs/dbraw/zinc/19/37/21/599193721.db2.gz JSJXNPROPHRJNW-UHFFFAOYSA-N -1 3 367.796 3.066 20 30 FGEDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N(C)Cc1ccc(C#N)cc1 ZINC000737261926 599270299 /nfs/dbraw/zinc/27/02/99/599270299.db2.gz DRTASDPAFAWBIV-UHFFFAOYSA-N -1 3 373.395 3.371 20 30 FGEDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N(C)Cc1ccc(C#N)cc1 ZINC000737261926 599270302 /nfs/dbraw/zinc/27/03/02/599270302.db2.gz DRTASDPAFAWBIV-UHFFFAOYSA-N -1 3 373.395 3.371 20 30 FGEDHM CCC(CC)CN(CCC#N)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736337614 598239297 /nfs/dbraw/zinc/23/92/97/598239297.db2.gz LTJWIAJYYDLCES-KHPPLWFESA-N -1 3 352.442 3.058 20 30 FGEDHM CCC(CC)CN(CCC#N)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736337614 598239298 /nfs/dbraw/zinc/23/92/98/598239298.db2.gz LTJWIAJYYDLCES-KHPPLWFESA-N -1 3 352.442 3.058 20 30 FGEDHM CC(C)Cc1ccc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cc1 ZINC000735848958 598247638 /nfs/dbraw/zinc/24/76/38/598247638.db2.gz DEVPWPNBDSJCRH-UHFFFAOYSA-N -1 3 365.466 3.206 20 30 FGEDHM CC(C)Cc1ccc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cc1 ZINC000735848958 598247639 /nfs/dbraw/zinc/24/76/39/598247639.db2.gz DEVPWPNBDSJCRH-UHFFFAOYSA-N -1 3 365.466 3.206 20 30 FGEDHM FC(F)(F)c1cc(NN=Cc2ccc3c(c2)CCO3)ccc1-c1nnn[n-]1 ZINC000737630985 598314828 /nfs/dbraw/zinc/31/48/28/598314828.db2.gz ALIGPQAWCSMKSH-UHFFFAOYSA-N -1 3 374.326 3.266 20 30 FGEDHM FC(F)(F)c1cc(NN=Cc2ccc3c(c2)CCO3)ccc1-c1nn[n-]n1 ZINC000737630985 598314830 /nfs/dbraw/zinc/31/48/30/598314830.db2.gz ALIGPQAWCSMKSH-UHFFFAOYSA-N -1 3 374.326 3.266 20 30 FGEDHM C#Cc1ccc(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)cn1 ZINC000735390042 598734444 /nfs/dbraw/zinc/73/44/44/598734444.db2.gz NJLHSLANHMOQEQ-UHFFFAOYSA-N -1 3 367.368 3.129 20 30 FGEDHM C#Cc1ccc(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)cn1 ZINC000735390042 598734445 /nfs/dbraw/zinc/73/44/45/598734445.db2.gz NJLHSLANHMOQEQ-UHFFFAOYSA-N -1 3 367.368 3.129 20 30 FGEDHM Cc1ncsc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822481893 599340385 /nfs/dbraw/zinc/34/03/85/599340385.db2.gz GNNGVYPQUCPMGA-UHFFFAOYSA-N -1 3 353.333 3.096 20 30 FGEDHM Cc1ncsc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822481893 599340386 /nfs/dbraw/zinc/34/03/86/599340386.db2.gz GNNGVYPQUCPMGA-UHFFFAOYSA-N -1 3 353.333 3.096 20 30 FGEDHM N#Cc1cccc(-c2nnc(CSc3ccccc3-c3nnn[n-]3)o2)c1 ZINC000822837665 599343410 /nfs/dbraw/zinc/34/34/10/599343410.db2.gz QNTHYWODRDGFOM-UHFFFAOYSA-N -1 3 361.390 3.081 20 30 FGEDHM N#Cc1cccc(-c2nnc(CSc3ccccc3-c3nn[n-]n3)o2)c1 ZINC000822837665 599343412 /nfs/dbraw/zinc/34/34/12/599343412.db2.gz QNTHYWODRDGFOM-UHFFFAOYSA-N -1 3 361.390 3.081 20 30 FGEDHM Cc1cc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c(C)s1 ZINC000737230118 599461410 /nfs/dbraw/zinc/46/14/10/599461410.db2.gz DGHRWBIBGIQENL-SNAWJCMRSA-N -1 3 350.407 3.089 20 30 FGEDHM Cc1cc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c(C)s1 ZINC000737230118 599461408 /nfs/dbraw/zinc/46/14/08/599461408.db2.gz DGHRWBIBGIQENL-SNAWJCMRSA-N -1 3 350.407 3.089 20 30 FGEDHM C=CCCCN(C)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000735413720 599475932 /nfs/dbraw/zinc/47/59/32/599475932.db2.gz YNPVWXDCGRLRMU-UHFFFAOYSA-N -1 3 374.514 3.034 20 30 FGEDHM CC[C@@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1ccc(F)cc1 ZINC000736390176 599517679 /nfs/dbraw/zinc/51/76/79/599517679.db2.gz HNFJYRYVQLKDPE-CYBMUJFWSA-N -1 3 355.402 3.098 20 30 FGEDHM CC[C@@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1ccc(F)cc1 ZINC000736390176 599517681 /nfs/dbraw/zinc/51/76/81/599517681.db2.gz HNFJYRYVQLKDPE-CYBMUJFWSA-N -1 3 355.402 3.098 20 30 FGEDHM CC1(C)C(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@H]2CCO[C@@H]21 ZINC000736204735 599535552 /nfs/dbraw/zinc/53/55/52/599535552.db2.gz GQEJCOJJAUCICK-MFKMUULPSA-N -1 3 366.347 3.098 20 30 FGEDHM CC1(C)C(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@H]2CCO[C@@H]21 ZINC000736204735 599535554 /nfs/dbraw/zinc/53/55/54/599535554.db2.gz GQEJCOJJAUCICK-MFKMUULPSA-N -1 3 366.347 3.098 20 30 FGEDHM CC(C)Oc1ccc(NC(=O)C=Cc2ccccc2C#N)cc1-c1nnn[n-]1 ZINC000820160662 607396918 /nfs/dbraw/zinc/39/69/18/607396918.db2.gz PBYOCVQSVSZLTG-JXMROGBWSA-N -1 3 374.404 3.177 20 30 FGEDHM CC(C)Oc1ccc(NC(=O)C=Cc2ccccc2C#N)cc1-c1nn[n-]n1 ZINC000820160662 607396919 /nfs/dbraw/zinc/39/69/19/607396919.db2.gz PBYOCVQSVSZLTG-JXMROGBWSA-N -1 3 374.404 3.177 20 30 FGEDHM CC(C)Oc1ccc(NC(=O)C2(C#N)CCCCC2)cc1-c1nnn[n-]1 ZINC000820160992 607400348 /nfs/dbraw/zinc/40/03/48/607400348.db2.gz RSEQJKUDMZSCCV-UHFFFAOYSA-N -1 3 354.414 3.066 20 30 FGEDHM CC(C)Oc1ccc(NC(=O)C2(C#N)CCCCC2)cc1-c1nn[n-]n1 ZINC000820160992 607400349 /nfs/dbraw/zinc/40/03/49/607400349.db2.gz RSEQJKUDMZSCCV-UHFFFAOYSA-N -1 3 354.414 3.066 20 30 FGEDHM N#Cc1ccc([C@@H](NCc2cc(Br)cs2)C(=O)[O-])cc1 ZINC000739104584 600595113 /nfs/dbraw/zinc/59/51/13/600595113.db2.gz BZTJLSUZAMKBFM-CYBMUJFWSA-N -1 3 351.225 3.298 20 30 FGEDHM CCN(C)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821164531 607459340 /nfs/dbraw/zinc/45/93/40/607459340.db2.gz GLPSMXPVJXXRIF-DHZHZOJOSA-N -1 3 351.385 3.358 20 30 FGEDHM CCN(C)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821164531 607459342 /nfs/dbraw/zinc/45/93/42/607459342.db2.gz GLPSMXPVJXXRIF-DHZHZOJOSA-N -1 3 351.385 3.358 20 30 FGEDHM N#Cc1cccc([C@@H](NCc2ccc(OC(F)(F)F)cc2)C(=O)[O-])c1 ZINC000833074578 601299550 /nfs/dbraw/zinc/29/95/50/601299550.db2.gz BAQJUFBTDZUSOV-OAHLLOKOSA-N -1 3 350.296 3.372 20 30 FGEDHM CCC[C@@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000739306949 602671130 /nfs/dbraw/zinc/67/11/30/602671130.db2.gz YSMGVHOAGWIGDU-ZIAGYGMSSA-N -1 3 373.434 3.431 20 30 FGEDHM N#Cc1cc(NC(=O)c2cc(-c3ccccc3)ns2)ccc1-c1nnn[n-]1 ZINC000826384007 607587852 /nfs/dbraw/zinc/58/78/52/607587852.db2.gz BMSOOGMJGOQQBP-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM N#Cc1cc(NC(=O)c2cc(-c3ccccc3)ns2)ccc1-c1nn[n-]n1 ZINC000826384007 607587853 /nfs/dbraw/zinc/58/78/53/607587853.db2.gz BMSOOGMJGOQQBP-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCC#Cc1ccccc1Cl ZINC000826401735 607599691 /nfs/dbraw/zinc/59/96/91/607599691.db2.gz FXAXVRGWKKTYQT-VAWYXSNFSA-N -1 3 364.792 3.128 20 30 FGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCC#Cc1ccccc1Cl ZINC000826401735 607599692 /nfs/dbraw/zinc/59/96/92/607599692.db2.gz FXAXVRGWKKTYQT-VAWYXSNFSA-N -1 3 364.792 3.128 20 30 FGEDHM C=C(C)CNC(=S)N(Cc1ccccc1-c1nnn[n-]1)C1CCCC1 ZINC000823878447 607646956 /nfs/dbraw/zinc/64/69/56/607646956.db2.gz ZIWGZTZWAZBMSL-UHFFFAOYSA-N -1 3 356.499 3.062 20 30 FGEDHM C=C(C)CNC(=S)N(Cc1ccccc1-c1nn[n-]n1)C1CCCC1 ZINC000823878447 607646958 /nfs/dbraw/zinc/64/69/58/607646958.db2.gz ZIWGZTZWAZBMSL-UHFFFAOYSA-N -1 3 356.499 3.062 20 30 FGEDHM CC(N=Nc1ccc(C(=O)[O-])cn1)c1ccc([O-])c(C[NH+]2CCCCC2)c1 ZINC000763367496 604665868 /nfs/dbraw/zinc/66/58/68/604665868.db2.gz FRBZDCZOXDNOKT-UHFFFAOYSA-N -1 3 368.437 3.307 20 30 FGEDHM C[C@@H]1CCc2c(sc(NC(=O)c3cc(C#N)cs3)c2-c2nnn[n-]2)C1 ZINC000820733054 606478355 /nfs/dbraw/zinc/47/83/55/606478355.db2.gz CIWHACNRKJEAHH-MRVPVSSYSA-N -1 3 370.463 3.238 20 30 FGEDHM C[C@@H]1CCc2c(sc(NC(=O)c3cc(C#N)cs3)c2-c2nn[n-]n2)C1 ZINC000820733054 606478356 /nfs/dbraw/zinc/47/83/56/606478356.db2.gz CIWHACNRKJEAHH-MRVPVSSYSA-N -1 3 370.463 3.238 20 30 FGEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(C#N)cs1 ZINC000820086612 606491785 /nfs/dbraw/zinc/49/17/85/606491785.db2.gz BZIPBZGIOLVWGZ-UHFFFAOYSA-N -1 3 366.450 3.098 20 30 FGEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C#N)cs1 ZINC000820086612 606491787 /nfs/dbraw/zinc/49/17/87/606491787.db2.gz BZIPBZGIOLVWGZ-UHFFFAOYSA-N -1 3 366.450 3.098 20 30 FGEDHM CC[C@@H](C#N)OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820842253 606613683 /nfs/dbraw/zinc/61/36/83/606613683.db2.gz KQZBCIHIIIMHNV-ZDUSSCGKSA-N -1 3 365.418 3.477 20 30 FGEDHM CC[C@@H](C#N)OC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820842253 606613684 /nfs/dbraw/zinc/61/36/84/606613684.db2.gz KQZBCIHIIIMHNV-ZDUSSCGKSA-N -1 3 365.418 3.477 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC1[C@H](C)CCC[C@H]1C ZINC000819743217 606658465 /nfs/dbraw/zinc/65/84/65/606658465.db2.gz GALUHSUUXYMEBC-HUUCEWRRSA-N -1 3 368.485 3.389 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC1[C@H](C)CCC[C@H]1C ZINC000819743217 606658466 /nfs/dbraw/zinc/65/84/66/606658466.db2.gz GALUHSUUXYMEBC-HUUCEWRRSA-N -1 3 368.485 3.389 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC1[C@@H](C)CCC[C@@H]1C ZINC000819743216 606658476 /nfs/dbraw/zinc/65/84/76/606658476.db2.gz GALUHSUUXYMEBC-GJZGRUSLSA-N -1 3 368.485 3.389 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC1[C@@H](C)CCC[C@@H]1C ZINC000819743216 606658477 /nfs/dbraw/zinc/65/84/77/606658477.db2.gz GALUHSUUXYMEBC-GJZGRUSLSA-N -1 3 368.485 3.389 20 30 FGEDHM CC[C@@H](C#N)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000820843239 606840524 /nfs/dbraw/zinc/84/05/24/606840524.db2.gz WAIOCFQWLAWLCQ-HNNXBMFYSA-N -1 3 363.377 3.426 20 30 FGEDHM CC[C@@H](C#N)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000820843239 606840526 /nfs/dbraw/zinc/84/05/26/606840526.db2.gz WAIOCFQWLAWLCQ-HNNXBMFYSA-N -1 3 363.377 3.426 20 30 FGEDHM N#Cc1cc(NCCCOc2cccc(-c3nnn[n-]3)c2)ccc1Cl ZINC000822822921 606862752 /nfs/dbraw/zinc/86/27/52/606862752.db2.gz IBJPEACWESHIJU-UHFFFAOYSA-N -1 3 354.801 3.273 20 30 FGEDHM N#Cc1cc(NCCCOc2cccc(-c3nn[n-]n3)c2)ccc1Cl ZINC000822822921 606862753 /nfs/dbraw/zinc/86/27/53/606862753.db2.gz IBJPEACWESHIJU-UHFFFAOYSA-N -1 3 354.801 3.273 20 30 FGEDHM Cc1c(C(=O)C=Cc2cnc(C(C)C)s2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822016227 606933050 /nfs/dbraw/zinc/93/30/50/606933050.db2.gz WJVPNJFIEUYNHD-VOTSOKGWSA-N -1 3 368.466 3.399 20 30 FGEDHM Cc1c(C(=O)C=Cc2cnc(C(C)C)s2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822016227 606933052 /nfs/dbraw/zinc/93/30/52/606933052.db2.gz WJVPNJFIEUYNHD-VOTSOKGWSA-N -1 3 368.466 3.399 20 30 FGEDHM C=CCOc1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000819758746 606964235 /nfs/dbraw/zinc/96/42/35/606964235.db2.gz GUMLQRWDVMIUQW-UHFFFAOYSA-N -1 3 369.812 3.362 20 30 FGEDHM C=CCOc1ccc(C(=O)N(C)c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000819758746 606964237 /nfs/dbraw/zinc/96/42/37/606964237.db2.gz GUMLQRWDVMIUQW-UHFFFAOYSA-N -1 3 369.812 3.362 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822801752 606980082 /nfs/dbraw/zinc/98/00/82/606980082.db2.gz NWNLCKOSDLTKSS-IEBWSBKVSA-N -1 3 362.412 3.278 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822801752 606980083 /nfs/dbraw/zinc/98/00/83/606980083.db2.gz NWNLCKOSDLTKSS-IEBWSBKVSA-N -1 3 362.412 3.278 20 30 FGEDHM CCN(Cc1cc(F)ccc1C#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821222026 607058032 /nfs/dbraw/zinc/05/80/32/607058032.db2.gz NSCVEAJBFZZWLM-CYBMUJFWSA-N -1 3 350.401 3.461 20 30 FGEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000821608295 607200032 /nfs/dbraw/zinc/20/00/32/607200032.db2.gz ARCRHMDKINYHRI-UHFFFAOYSA-N -1 3 367.800 3.056 20 30 FGEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000821608295 607200033 /nfs/dbraw/zinc/20/00/33/607200033.db2.gz ARCRHMDKINYHRI-UHFFFAOYSA-N -1 3 367.800 3.056 20 30 FGEDHM Cc1[nH]c2ccc(Cl)cc2c1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826233485 607783435 /nfs/dbraw/zinc/78/34/35/607783435.db2.gz JGLZQENRANNKRY-UHFFFAOYSA-N -1 3 365.828 3.434 20 30 FGEDHM Cc1[nH]c2ccc(Cl)cc2c1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826233485 607783436 /nfs/dbraw/zinc/78/34/36/607783436.db2.gz JGLZQENRANNKRY-UHFFFAOYSA-N -1 3 365.828 3.434 20 30 FGEDHM N#Cc1ccccc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826387193 607888769 /nfs/dbraw/zinc/88/87/69/607888769.db2.gz KDOOLMPCFWPWIA-UHFFFAOYSA-N -1 3 357.299 3.203 20 30 FGEDHM N#Cc1ccccc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826387193 607888770 /nfs/dbraw/zinc/88/87/70/607888770.db2.gz KDOOLMPCFWPWIA-UHFFFAOYSA-N -1 3 357.299 3.203 20 30 FGEDHM CC(C)[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(F)cc1 ZINC000824184909 607925826 /nfs/dbraw/zinc/92/58/26/607925826.db2.gz NYQLBJDPKQPUPX-KRWDZBQOSA-N -1 3 364.384 3.256 20 30 FGEDHM CC(C)[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(F)cc1 ZINC000824184909 607925827 /nfs/dbraw/zinc/92/58/27/607925827.db2.gz NYQLBJDPKQPUPX-KRWDZBQOSA-N -1 3 364.384 3.256 20 30 FGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ncc(Br)s1 ZINC000826400035 607930441 /nfs/dbraw/zinc/93/04/41/607930441.db2.gz NJOUFBPAGVFGDF-OWOJBTEDSA-N -1 3 368.241 3.043 20 30 FGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ncc(Br)s1 ZINC000826400035 607930442 /nfs/dbraw/zinc/93/04/42/607930442.db2.gz NJOUFBPAGVFGDF-OWOJBTEDSA-N -1 3 368.241 3.043 20 30 FGEDHM CC=C(C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000825028715 608038711 /nfs/dbraw/zinc/03/87/11/608038711.db2.gz JXMAUEBOTMABBN-CQDYJGNSSA-N -1 3 350.407 3.133 20 30 FGEDHM CC=C(C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000825028715 608038712 /nfs/dbraw/zinc/03/87/12/608038712.db2.gz JXMAUEBOTMABBN-CQDYJGNSSA-N -1 3 350.407 3.133 20 30 FGEDHM C=CCN(C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CC1 ZINC000823904191 608262936 /nfs/dbraw/zinc/26/29/36/608262936.db2.gz WUFWWMHGRCFFPE-UHFFFAOYSA-N -1 3 352.320 3.068 20 30 FGEDHM C=CCN(C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CC1 ZINC000823904191 608262939 /nfs/dbraw/zinc/26/29/39/608262939.db2.gz WUFWWMHGRCFFPE-UHFFFAOYSA-N -1 3 352.320 3.068 20 30 FGEDHM O=C1c2cccc(Br)c2CC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476845 608288857 /nfs/dbraw/zinc/28/88/57/608288857.db2.gz QJEKWFMCICKFIF-FLIBITNWSA-N -1 3 367.206 3.452 20 30 FGEDHM O=C1c2cccc(Br)c2CC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476845 608288858 /nfs/dbraw/zinc/28/88/58/608288858.db2.gz QJEKWFMCICKFIF-FLIBITNWSA-N -1 3 367.206 3.452 20 30 FGEDHM CC(CCc1ccc(F)cc1)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824407309 608538552 /nfs/dbraw/zinc/53/85/52/608538552.db2.gz XAFLUTCQZQBDNS-UHFFFAOYSA-N -1 3 359.796 3.475 20 30 FGEDHM CC(CCc1ccc(F)cc1)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824407309 608538553 /nfs/dbraw/zinc/53/85/53/608538553.db2.gz XAFLUTCQZQBDNS-UHFFFAOYSA-N -1 3 359.796 3.475 20 30 FGEDHM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cccc([N+](=O)[O-])c1 ZINC000825029118 608538840 /nfs/dbraw/zinc/53/88/40/608538840.db2.gz NGKFQCMOTJTTQH-UHFFFAOYSA-N -1 3 372.776 3.050 20 30 FGEDHM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccc([N+](=O)[O-])c1 ZINC000825029118 608538841 /nfs/dbraw/zinc/53/88/41/608538841.db2.gz NGKFQCMOTJTTQH-UHFFFAOYSA-N -1 3 372.776 3.050 20 30 FGEDHM COc1cc(C)ccc1C(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826177981 608540430 /nfs/dbraw/zinc/54/04/30/608540430.db2.gz DVHVJUBWFLHXLH-UHFFFAOYSA-N -1 3 357.805 3.068 20 30 FGEDHM COc1cc(C)ccc1C(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826177981 608540431 /nfs/dbraw/zinc/54/04/31/608540431.db2.gz DVHVJUBWFLHXLH-UHFFFAOYSA-N -1 3 357.805 3.068 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1cc(F)c(F)cc1F ZINC000823914639 608632407 /nfs/dbraw/zinc/63/24/07/608632407.db2.gz KNEUBVVKELMCIW-UHFFFAOYSA-N -1 3 359.355 3.472 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cc(F)c(F)cc1F ZINC000823914639 608632410 /nfs/dbraw/zinc/63/24/10/608632410.db2.gz KNEUBVVKELMCIW-UHFFFAOYSA-N -1 3 359.355 3.472 20 30 FGEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CCO2 ZINC000826212457 608879231 /nfs/dbraw/zinc/87/92/31/608879231.db2.gz RAEBSDQRIMENBO-XYOKQWHBSA-N -1 3 366.352 3.063 20 30 FGEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)CCO2 ZINC000826212457 608879234 /nfs/dbraw/zinc/87/92/34/608879234.db2.gz RAEBSDQRIMENBO-XYOKQWHBSA-N -1 3 366.352 3.063 20 30 FGEDHM O=C(C=Cc1ccc(-n2cccn2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400316 609272265 /nfs/dbraw/zinc/27/22/65/609272265.db2.gz VOOJIGYZAZSGPY-RUDMXATFSA-N -1 3 360.352 3.088 20 30 FGEDHM O=C(C=Cc1ccc(-n2cccn2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400316 609272267 /nfs/dbraw/zinc/27/22/67/609272267.db2.gz VOOJIGYZAZSGPY-RUDMXATFSA-N -1 3 360.352 3.088 20 30 FGEDHM O=C(C=Cc1c[nH]c(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399949 609272485 /nfs/dbraw/zinc/27/24/85/609272485.db2.gz KWHXVPDKLQCAIJ-VQHVLOKHSA-N -1 3 360.352 3.292 20 30 FGEDHM O=C(C=Cc1c[nH]c(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399949 609272487 /nfs/dbraw/zinc/27/24/87/609272487.db2.gz KWHXVPDKLQCAIJ-VQHVLOKHSA-N -1 3 360.352 3.292 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(F)ccc2C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826289673 609308954 /nfs/dbraw/zinc/30/89/54/609308954.db2.gz IXSKXNOPTBQFNM-SOFGYWHQSA-N -1 3 351.385 3.266 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(F)ccc2C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826289673 609308956 /nfs/dbraw/zinc/30/89/56/609308956.db2.gz IXSKXNOPTBQFNM-SOFGYWHQSA-N -1 3 351.385 3.266 20 30 FGEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826400504 609442795 /nfs/dbraw/zinc/44/27/95/609442795.db2.gz ANZLDXNJJWELQD-DAXSKMNVSA-N -1 3 355.741 3.324 20 30 FGEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826400504 609442797 /nfs/dbraw/zinc/44/27/97/609442797.db2.gz ANZLDXNJJWELQD-DAXSKMNVSA-N -1 3 355.741 3.324 20 30 FGEDHM Clc1cc(NN=Cc2ccc(-n3cccn3)cc2)ccc1-c1nnn[n-]1 ZINC000826351479 609472070 /nfs/dbraw/zinc/47/20/70/609472070.db2.gz NYLKTCDLZXXBDH-UHFFFAOYSA-N -1 3 364.800 3.152 20 30 FGEDHM Clc1cc(NN=Cc2ccc(-n3cccn3)cc2)ccc1-c1nn[n-]n1 ZINC000826351479 609472072 /nfs/dbraw/zinc/47/20/72/609472072.db2.gz NYLKTCDLZXXBDH-UHFFFAOYSA-N -1 3 364.800 3.152 20 30 FGEDHM CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000079700453 700303668 /nfs/dbraw/zinc/30/36/68/700303668.db2.gz CXHFSBBIXRTPEZ-MRVPVSSYSA-N -1 3 363.340 3.201 20 30 FGEDHM CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000079700453 700303670 /nfs/dbraw/zinc/30/36/70/700303670.db2.gz CXHFSBBIXRTPEZ-MRVPVSSYSA-N -1 3 363.340 3.201 20 30 FGEDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1ccc(C#N)cc1F ZINC000109779754 700536953 /nfs/dbraw/zinc/53/69/53/700536953.db2.gz CJVSSXHIAFZHQB-UHFFFAOYSA-N -1 3 362.788 3.232 20 30 FGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cc(C)nc(Cl)c1 ZINC000123848825 700711012 /nfs/dbraw/zinc/71/10/12/700711012.db2.gz DOMDSCBFLCRXRA-CYBMUJFWSA-N -1 3 357.797 3.403 20 30 FGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1sc(CC)nc1C ZINC000140344106 704880233 /nfs/dbraw/zinc/88/02/33/704880233.db2.gz PTMVKTQHXHUEMK-GFCCVEGCSA-N -1 3 357.435 3.374 20 30 FGEDHM O=C1C[C@H](/N=C\c2cc(Cl)ccc2[O-])CN1CCOc1ccccc1 ZINC000255521881 713698584 /nfs/dbraw/zinc/69/85/84/713698584.db2.gz IJJIFZGXRWPKIE-IXGURIBZSA-N -1 3 358.825 3.144 20 30 FGEDHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)s1)[C@@H]1CC12CCCC2 ZINC000328658758 713825315 /nfs/dbraw/zinc/82/53/15/713825315.db2.gz RQFAMZRXEILPRN-JTQLQIEISA-N -1 3 362.904 3.217 20 30 FGEDHM N#C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1c(Cl)cccc1Cl ZINC000436552168 714026742 /nfs/dbraw/zinc/02/67/42/714026742.db2.gz CBJOEDXEDQTAGN-NSHDSACASA-N -1 3 365.172 3.422 20 30 FGEDHM N#C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000619781918 714870539 /nfs/dbraw/zinc/87/05/39/714870539.db2.gz DWRAJTWPKIAQAZ-SFHVURJKSA-N -1 3 355.825 3.068 20 30 FGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccnc(SC)c1 ZINC000779196994 724399177 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N#CC1(CS(=O)(=O)[N-]C2(c3nccs3)CCCC2)CCCCC1 ZINC000548119939 504337868 /nfs/dbraw/zinc/33/78/68/504337868.db2.gz AIESVIBWJOREHG-UHFFFAOYSA-N -1 3 353.513 3.306 20 30 FGEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000520126258 504416414 /nfs/dbraw/zinc/41/64/14/504416414.db2.gz FYHVRSNSWQSVOS-UHFFFAOYSA-N -1 3 373.412 3.237 20 30 FGEDHM Cc1cc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)nn1C1CCOCC1 ZINC000528952466 504466676 /nfs/dbraw/zinc/46/66/76/504466676.db2.gz AYMRIJXHONTVQS-OAHLLOKOSA-N -1 3 363.421 3.218 20 30 FGEDHM Cc1ncc(S(=O)(=O)[N-]Cc2ccc(-c3ccccc3C#N)cc2)s1 ZINC000539115971 504479128 /nfs/dbraw/zinc/47/91/28/504479128.db2.gz YGWNVCINOZMRAV-UHFFFAOYSA-N -1 3 369.471 3.469 20 30 FGEDHM C=CCC1(c2nc(-c3ccc([C@]4(C)NC(=O)[N-]C4=O)cc3)no2)CCCC1 ZINC000565404437 504877285 /nfs/dbraw/zinc/87/72/85/504877285.db2.gz XRKONESCLZVREX-IBGZPJMESA-N -1 3 366.421 3.179 20 30 FGEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000553574348 504953025 /nfs/dbraw/zinc/95/30/25/504953025.db2.gz HHCNRLVIWPISCF-UHFFFAOYSA-N -1 3 359.373 3.185 20 30 FGEDHM Cc1csc([C@H]([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)C2CC2)n1 ZINC000563621029 505194436 /nfs/dbraw/zinc/19/44/36/505194436.db2.gz RKNUEZKCTHSLGW-MRXNPFEDSA-N -1 3 361.492 3.088 20 30 FGEDHM N#CCCn1cc(C=Cc2cc(=O)[n-]c(C3CC3)n2)c(-c2ccncc2)n1 ZINC000554518596 505194950 /nfs/dbraw/zinc/19/49/50/505194950.db2.gz GIJYXULLSMNWQW-SNAWJCMRSA-N -1 3 358.405 3.402 20 30 FGEDHM N#CCc1cccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)c1 ZINC000589587285 506593555 /nfs/dbraw/zinc/59/35/55/506593555.db2.gz VYTAEWOMBWXUEU-UHFFFAOYSA-N -1 3 362.361 3.367 20 30 FGEDHM CCC(C#N)(CC)C(=O)Nc1cc(I)ccc1[O-] ZINC000599712006 506598050 /nfs/dbraw/zinc/59/80/50/506598050.db2.gz KFMSROFJQQBITN-UHFFFAOYSA-N -1 3 358.179 3.265 20 30 FGEDHM Cc1nc(NC(=O)c2cn[n-]c2-c2ccncc2)sc1SCC#N ZINC000603908724 506655034 /nfs/dbraw/zinc/65/50/34/506655034.db2.gz FWMLCACJBYQOEI-UHFFFAOYSA-N -1 3 356.436 3.105 20 30 FGEDHM Cc1nc(NC(=O)c2c[n-]nc2-c2ccncc2)sc1SCC#N ZINC000603908724 506655039 /nfs/dbraw/zinc/65/50/39/506655039.db2.gz FWMLCACJBYQOEI-UHFFFAOYSA-N -1 3 356.436 3.105 20 30 FGEDHM CO[C@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593573982 506689753 /nfs/dbraw/zinc/68/97/53/506689753.db2.gz WPGFYQWSPGJLDO-BMIGLBTASA-N -1 3 370.883 3.328 20 30 FGEDHM CC(C)[C@@H](C#N)N1CCN(C(=O)CCc2ccc3ccccc3c2[O-])CC1 ZINC000590627999 506887456 /nfs/dbraw/zinc/88/74/56/506887456.db2.gz DTRQBBDTOXIKBG-HXUWFJFHSA-N -1 3 365.477 3.170 20 30 FGEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H](C)Cc2ccc(C#N)cc2)c1 ZINC000594302480 507070276 /nfs/dbraw/zinc/07/02/76/507070276.db2.gz NUGBHPSVEFWRJE-CQSZACIVSA-N -1 3 371.462 3.056 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccccc2C(F)(F)F)c(F)c1 ZINC000610083249 507094425 /nfs/dbraw/zinc/09/44/25/507094425.db2.gz QCMYFCPUONKETB-UHFFFAOYSA-N -1 3 372.343 3.237 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3cccc(Cl)c3)CC2)c(F)c1 ZINC000610087283 507095053 /nfs/dbraw/zinc/09/50/53/507095053.db2.gz WBAFEGURSMJNQR-UHFFFAOYSA-N -1 3 364.829 3.361 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nnc(CCC(C)C)s1 ZINC000597869385 507143910 /nfs/dbraw/zinc/14/39/10/507143910.db2.gz GCHAJLRDWUUVRH-UHFFFAOYSA-N -1 3 373.482 3.287 20 30 FGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(C)c(S(C)(=O)=O)c3)nc21 ZINC000605363471 507160996 /nfs/dbraw/zinc/16/09/96/507160996.db2.gz BNONZLJIYMGQFK-AWEZNQCLSA-N -1 3 367.430 3.073 20 30 FGEDHM Cc1cccc2nc(C(C#N)=C([O-])c3ccc(C)c(S(C)(=O)=O)c3)[nH]c21 ZINC000605363471 507161000 /nfs/dbraw/zinc/16/10/00/507161000.db2.gz BNONZLJIYMGQFK-AWEZNQCLSA-N -1 3 367.430 3.073 20 30 FGEDHM COCCN(CCC#N)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000610391981 507223820 /nfs/dbraw/zinc/22/38/20/507223820.db2.gz ROITUIOJISNCAD-UHFFFAOYSA-N -1 3 368.462 3.426 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CCOC(C)(C)C1 ZINC000594766971 507273368 /nfs/dbraw/zinc/27/33/68/507273368.db2.gz ZLXUDYSLLUFPND-ZDUSSCGKSA-N -1 3 364.492 3.317 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)[C@@H]1CCCOC1 ZINC000594771685 507275136 /nfs/dbraw/zinc/27/51/36/507275136.db2.gz LTSWVEMSDUJDJI-TZMCWYRMSA-N -1 3 364.492 3.175 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1C[C@H](C)n2ccnc21 ZINC000594779280 507278415 /nfs/dbraw/zinc/27/84/15/507278415.db2.gz MLOHUCOAXHBPKW-IINYFYTJSA-N -1 3 372.475 3.262 20 30 FGEDHM Cc1ccc(CCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C ZINC000598144270 507279027 /nfs/dbraw/zinc/27/90/27/507279027.db2.gz RRAWEXASHAWVPW-UHFFFAOYSA-N -1 3 351.450 3.184 20 30 FGEDHM CC[C@@H]1C[C@H]([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CCO1 ZINC000594784833 507281046 /nfs/dbraw/zinc/28/10/46/507281046.db2.gz DOOITVIXZVDZLD-ZIAGYGMSSA-N -1 3 364.492 3.317 20 30 FGEDHM CCN(Cc1c([O-])c(C)ncc1CO)c1ncc(C#N)c2ccsc21 ZINC000601177400 507287724 /nfs/dbraw/zinc/28/77/24/507287724.db2.gz ZFSKHMPNOJAIDK-UHFFFAOYSA-N -1 3 354.435 3.096 20 30 FGEDHM Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3[n-]ncc3C#N)cc12 ZINC000610620208 507321812 /nfs/dbraw/zinc/32/18/12/507321812.db2.gz GTVGHZWIWDGOOW-UHFFFAOYSA-N -1 3 366.381 3.382 20 30 FGEDHM CC(C)c1ccc(CC[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000611013308 507482079 /nfs/dbraw/zinc/48/20/79/507482079.db2.gz LXBXWWUNUYYFMH-UHFFFAOYSA-N -1 3 373.434 3.111 20 30 FGEDHM CCn1cc(N(CC(C)C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cn1 ZINC000602159263 507610543 /nfs/dbraw/zinc/61/05/43/507610543.db2.gz RKHAVCRCFYBANJ-UHFFFAOYSA-N -1 3 369.469 3.114 20 30 FGEDHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cccc(C#Cc2cccs2)c1 ZINC000607103846 507611858 /nfs/dbraw/zinc/61/18/58/507611858.db2.gz OACPMOYAXQSOST-KRWDZBQOSA-N -1 3 361.488 3.459 20 30 FGEDHM CC[C@@H](C#N)Oc1cc(CNc2ccc(-c3nn[n-]n3)cc2)ccc1OC ZINC000736310307 598829819 /nfs/dbraw/zinc/82/98/19/598829819.db2.gz XMEHUSYZINENBR-INIZCTEOSA-N -1 3 364.409 3.168 20 30 FGEDHM CC(C)[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000735702161 598855161 /nfs/dbraw/zinc/85/51/61/598855161.db2.gz OBJBMWNJPRIIRN-BXUZGUMPSA-N -1 3 366.450 3.459 20 30 FGEDHM CC(C)[C@@H](C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000735702161 598855163 /nfs/dbraw/zinc/85/51/63/598855163.db2.gz OBJBMWNJPRIIRN-BXUZGUMPSA-N -1 3 366.450 3.459 20 30 FGEDHM N#Cc1ccc(NC(=O)CSc2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000737716204 598918988 /nfs/dbraw/zinc/91/89/88/598918988.db2.gz MLRSYXLPGDZURP-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1ccc(NC(=O)CSc2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000737716204 598918990 /nfs/dbraw/zinc/91/89/90/598918990.db2.gz MLRSYXLPGDZURP-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM C[C@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000735978798 598922189 /nfs/dbraw/zinc/92/21/89/598922189.db2.gz ZRYDAGWVMDWAPE-LLVKDONJSA-N -1 3 350.357 3.010 20 30 FGEDHM C[C@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000735978798 598922190 /nfs/dbraw/zinc/92/21/90/598922190.db2.gz ZRYDAGWVMDWAPE-LLVKDONJSA-N -1 3 350.357 3.010 20 30 FGEDHM COc1ccc2ccccc2c1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000821854160 607253949 /nfs/dbraw/zinc/25/39/49/607253949.db2.gz GVFJBUVONMBJCB-UHFFFAOYSA-N -1 3 358.405 3.152 20 30 FGEDHM COc1ccc2ccccc2c1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821854160 607253950 /nfs/dbraw/zinc/25/39/50/607253950.db2.gz GVFJBUVONMBJCB-UHFFFAOYSA-N -1 3 358.405 3.152 20 30 FGEDHM Cc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1[N+](=O)[O-] ZINC000822233544 599113360 /nfs/dbraw/zinc/11/33/60/599113360.db2.gz RDIAPJKNLIMKPQ-RIYZIHGNSA-N -1 3 361.361 3.296 20 30 FGEDHM Cc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1[N+](=O)[O-] ZINC000822233544 599113361 /nfs/dbraw/zinc/11/33/61/599113361.db2.gz RDIAPJKNLIMKPQ-RIYZIHGNSA-N -1 3 361.361 3.296 20 30 FGEDHM COc1ccc(C=NNc2cccc(Br)c2)cc1-c1nnn[n-]1 ZINC000737082756 599126697 /nfs/dbraw/zinc/12/66/97/599126697.db2.gz JJZHVLVJWIRJJZ-UHFFFAOYSA-N -1 3 373.214 3.084 20 30 FGEDHM COc1ccc(C=NNc2cccc(Br)c2)cc1-c1nn[n-]n1 ZINC000737082756 599126700 /nfs/dbraw/zinc/12/67/00/599126700.db2.gz JJZHVLVJWIRJJZ-UHFFFAOYSA-N -1 3 373.214 3.084 20 30 FGEDHM C=CCn1c(S[C@H](C)c2ccc(-c3nnn[n-]3)cc2)nnc1C1CC1 ZINC000735442399 599286925 /nfs/dbraw/zinc/28/69/25/599286925.db2.gz AEUKSZUIAAZYAJ-LLVKDONJSA-N -1 3 353.455 3.375 20 30 FGEDHM C=CCn1c(S[C@H](C)c2ccc(-c3nn[n-]n3)cc2)nnc1C1CC1 ZINC000735442399 599286927 /nfs/dbraw/zinc/28/69/27/599286927.db2.gz AEUKSZUIAAZYAJ-LLVKDONJSA-N -1 3 353.455 3.375 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(F)cc1C ZINC000819745675 607349967 /nfs/dbraw/zinc/34/99/67/607349967.db2.gz OUEQYPYIBUMBTH-UHFFFAOYSA-N -1 3 351.385 3.143 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(F)cc1C ZINC000819745675 607349969 /nfs/dbraw/zinc/34/99/69/607349969.db2.gz OUEQYPYIBUMBTH-UHFFFAOYSA-N -1 3 351.385 3.143 20 30 FGEDHM N#Cc1ccc(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)nc1 ZINC000737712162 598436018 /nfs/dbraw/zinc/43/60/18/598436018.db2.gz OOUKFGJSFDCOBB-UHFFFAOYSA-N -1 3 368.356 3.020 20 30 FGEDHM N#Cc1ccc(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)nc1 ZINC000737712162 598436019 /nfs/dbraw/zinc/43/60/19/598436019.db2.gz OOUKFGJSFDCOBB-UHFFFAOYSA-N -1 3 368.356 3.020 20 30 FGEDHM CCc1c(C)sc(NC(=O)C=Cc2ccccc2C#N)c1-c1nnn[n-]1 ZINC000736670809 598516871 /nfs/dbraw/zinc/51/68/71/598516871.db2.gz SHTURHQOBRGZQN-HJWRWDBZSA-N -1 3 364.434 3.323 20 30 FGEDHM CCc1c(C)sc(NC(=O)C=Cc2ccccc2C#N)c1-c1nn[n-]n1 ZINC000736670809 598516873 /nfs/dbraw/zinc/51/68/73/598516873.db2.gz SHTURHQOBRGZQN-HJWRWDBZSA-N -1 3 364.434 3.323 20 30 FGEDHM N#Cc1cccc(COc2ccc(Nc3ccc(-c4nnn[n-]4)cn3)cc2)c1 ZINC000737730438 598551828 /nfs/dbraw/zinc/55/18/28/598551828.db2.gz KWKNTAKRHYCUQC-UHFFFAOYSA-N -1 3 369.388 3.456 20 30 FGEDHM N#Cc1cccc(COc2ccc(Nc3ccc(-c4nn[n-]n4)cn3)cc2)c1 ZINC000737730438 598551829 /nfs/dbraw/zinc/55/18/29/598551829.db2.gz KWKNTAKRHYCUQC-UHFFFAOYSA-N -1 3 369.388 3.456 20 30 FGEDHM Cc1c(C(=O)C=Cc2c(F)cccc2F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201701 598638841 /nfs/dbraw/zinc/63/88/41/598638841.db2.gz HLIQZIXLEKJIQR-FPLPWBNLSA-N -1 3 355.348 3.097 20 30 FGEDHM Cc1c(C(=O)C=Cc2c(F)cccc2F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201701 598638843 /nfs/dbraw/zinc/63/88/43/598638843.db2.gz HLIQZIXLEKJIQR-FPLPWBNLSA-N -1 3 355.348 3.097 20 30 FGEDHM N#CCCSc1ccccc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000737695055 599331596 /nfs/dbraw/zinc/33/15/96/599331596.db2.gz SXUAKEPRENSZTR-UHFFFAOYSA-N -1 3 366.450 3.363 20 30 FGEDHM N#CCCSc1ccccc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000737695055 599331598 /nfs/dbraw/zinc/33/15/98/599331598.db2.gz SXUAKEPRENSZTR-UHFFFAOYSA-N -1 3 366.450 3.363 20 30 FGEDHM Clc1nc(N2CCCC2)sc1C=[NH+][N-]c1cccc(-c2nn[n-]n2)c1 ZINC000737582848 599368019 /nfs/dbraw/zinc/36/80/19/599368019.db2.gz GLEARHRBWFFBGB-UHFFFAOYSA-N -1 3 374.861 3.023 20 30 FGEDHM Clc1nc(N2CCCC2)sc1C=[NH+][N-]c1ccc(-c2nn[n-]n2)cc1 ZINC000737585005 599368048 /nfs/dbraw/zinc/36/80/48/599368048.db2.gz VZLNVHHBWHGWOY-UHFFFAOYSA-N -1 3 374.861 3.023 20 30 FGEDHM CCN(CC)c1ccc(/C=[NH+]\CCOc2ccc(C(=O)[O-])cc2)c([O-])c1 ZINC000737088061 599886361 /nfs/dbraw/zinc/88/63/61/599886361.db2.gz GGDHEYRNZDKZOZ-STZFKDTASA-N -1 3 356.422 3.435 20 30 FGEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000736094989 600510777 /nfs/dbraw/zinc/51/07/77/600510777.db2.gz BSFSUJROZHJEOS-UHFFFAOYSA-N -1 3 351.834 3.200 20 30 FGEDHM COc1ccc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826194905 607509180 /nfs/dbraw/zinc/50/91/80/607509180.db2.gz ZLWYKKPQRFQEEA-MOPGFXCFSA-N -1 3 374.448 3.147 20 30 FGEDHM COc1ccc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826194905 607509182 /nfs/dbraw/zinc/50/91/82/607509182.db2.gz ZLWYKKPQRFQEEA-MOPGFXCFSA-N -1 3 374.448 3.147 20 30 FGEDHM CN(CC(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1)C(=O)[O-] ZINC000739617946 602622349 /nfs/dbraw/zinc/62/23/49/602622349.db2.gz SRJPHSRGTKEYGW-QMMMGPOBSA-N -1 3 357.313 3.101 20 30 FGEDHM C#CCCOc1ccc(CN(CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000833365082 604638528 /nfs/dbraw/zinc/63/85/28/604638528.db2.gz IYNDNTBBTSQNEN-UHFFFAOYSA-N -1 3 359.372 3.454 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1cccc(CC)c1 ZINC000823909811 607709155 /nfs/dbraw/zinc/70/91/55/607709155.db2.gz RHBHWRDAWFWIJX-UHFFFAOYSA-N -1 3 361.449 3.186 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1cccc(CC)c1 ZINC000823909811 607709157 /nfs/dbraw/zinc/70/91/57/607709157.db2.gz RHBHWRDAWFWIJX-UHFFFAOYSA-N -1 3 361.449 3.186 20 30 FGEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822802061 606299897 /nfs/dbraw/zinc/29/98/97/606299897.db2.gz UPZCONVKJMDJKP-MAUKXSAKSA-N -1 3 373.420 3.032 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCOc1ccccc1-c1nnn[n-]1 ZINC000822801900 606452124 /nfs/dbraw/zinc/45/21/24/606452124.db2.gz QODZKHUVYROBQD-OALUTQOASA-N -1 3 374.448 3.017 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCOc1ccccc1-c1nn[n-]n1 ZINC000822801900 606452126 /nfs/dbraw/zinc/45/21/26/606452126.db2.gz QODZKHUVYROBQD-OALUTQOASA-N -1 3 374.448 3.017 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCOc1ccccc1-c1nnn[n-]1 ZINC000822801901 606452334 /nfs/dbraw/zinc/45/23/34/606452334.db2.gz QODZKHUVYROBQD-RBUKOAKNSA-N -1 3 374.448 3.017 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCOc1ccccc1-c1nn[n-]n1 ZINC000822801901 606452335 /nfs/dbraw/zinc/45/23/35/606452335.db2.gz QODZKHUVYROBQD-RBUKOAKNSA-N -1 3 374.448 3.017 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822802354 606452375 /nfs/dbraw/zinc/45/23/75/606452375.db2.gz ZNHFHEGQKRTIRZ-VQTJNVASSA-N -1 3 374.448 3.017 20 30 FGEDHM N#Cc1c2c(sc1NC(=O)c1cc(-c3nnn[n-]3)cs1)CCCCC2 ZINC000822818508 606478703 /nfs/dbraw/zinc/47/87/03/606478703.db2.gz AUEFIVWHJJTQCS-UHFFFAOYSA-N -1 3 370.463 3.383 20 30 FGEDHM N#Cc1c2c(sc1NC(=O)c1cc(-c3nn[n-]n3)cs1)CCCCC2 ZINC000822818508 606478704 /nfs/dbraw/zinc/47/87/04/606478704.db2.gz AUEFIVWHJJTQCS-UHFFFAOYSA-N -1 3 370.463 3.383 20 30 FGEDHM O=C(C=Cc1cnc(-c2ccncc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822935396 606600454 /nfs/dbraw/zinc/60/04/54/606600454.db2.gz JOXDBBCWIIXWGE-AATRIKPKSA-N -1 3 360.402 3.281 20 30 FGEDHM O=C(C=Cc1cnc(-c2ccncc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822935396 606600456 /nfs/dbraw/zinc/60/04/56/606600456.db2.gz JOXDBBCWIIXWGE-AATRIKPKSA-N -1 3 360.402 3.281 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(Cl)cn1 ZINC000819745806 606611925 /nfs/dbraw/zinc/61/19/25/606611925.db2.gz RWGNPSNDLBQWSU-UHFFFAOYSA-N -1 3 369.816 3.135 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(Cl)cn1 ZINC000819745806 606611926 /nfs/dbraw/zinc/61/19/26/606611926.db2.gz RWGNPSNDLBQWSU-UHFFFAOYSA-N -1 3 369.816 3.135 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCO[C@@H](C)CC(C)C ZINC000819743549 606674046 /nfs/dbraw/zinc/67/40/46/606674046.db2.gz LSPUTCUYOMLWJJ-INIZCTEOSA-N -1 3 371.485 3.223 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCO[C@@H](C)CC(C)C ZINC000819743549 606674047 /nfs/dbraw/zinc/67/40/47/606674047.db2.gz LSPUTCUYOMLWJJ-INIZCTEOSA-N -1 3 371.485 3.223 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)N(CC#N)C2CC2)cc1 ZINC000822136951 606787930 /nfs/dbraw/zinc/78/79/30/606787930.db2.gz QSWHOGJNMAGZGL-UHFFFAOYSA-N -1 3 374.404 3.096 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)N(CC#N)C2CC2)cc1 ZINC000822136951 606787932 /nfs/dbraw/zinc/78/79/32/606787932.db2.gz QSWHOGJNMAGZGL-UHFFFAOYSA-N -1 3 374.404 3.096 20 30 FGEDHM C=C[C@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819729989 606833807 /nfs/dbraw/zinc/83/38/07/606833807.db2.gz OSRZLZVPHPSYEN-LBPRGKRZSA-N -1 3 350.382 3.355 20 30 FGEDHM C=C[C@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819729989 606833809 /nfs/dbraw/zinc/83/38/09/606833809.db2.gz OSRZLZVPHPSYEN-LBPRGKRZSA-N -1 3 350.382 3.355 20 30 FGEDHM CCOc1ccc(C#N)cc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000821418255 606863638 /nfs/dbraw/zinc/86/36/38/606863638.db2.gz XZWSUXAYMUJUKB-UHFFFAOYSA-N -1 3 364.409 3.018 20 30 FGEDHM CCOc1ccc(C#N)cc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000821418255 606863640 /nfs/dbraw/zinc/86/36/40/606863640.db2.gz XZWSUXAYMUJUKB-UHFFFAOYSA-N -1 3 364.409 3.018 20 30 FGEDHM N#Cc1ccccc1COC(=O)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000822842479 606889021 /nfs/dbraw/zinc/88/90/21/606889021.db2.gz KGTJDSRDODGQJZ-UHFFFAOYSA-N -1 3 373.294 3.114 20 30 FGEDHM N#Cc1ccccc1COC(=O)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000822842479 606889023 /nfs/dbraw/zinc/88/90/23/606889023.db2.gz KGTJDSRDODGQJZ-UHFFFAOYSA-N -1 3 373.294 3.114 20 30 FGEDHM CN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cc(Cl)ccc1C#N ZINC000821569626 606962958 /nfs/dbraw/zinc/96/29/58/606962958.db2.gz QBRRQVNOQNQONT-VQHVLOKHSA-N -1 3 364.796 3.068 20 30 FGEDHM CN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cc(Cl)ccc1C#N ZINC000821569626 606962959 /nfs/dbraw/zinc/96/29/59/606962959.db2.gz QBRRQVNOQNQONT-VQHVLOKHSA-N -1 3 364.796 3.068 20 30 FGEDHM N#Cc1cc(Br)ccc1OCc1ccccc1-c1nnn[n-]1 ZINC000822818807 607032336 /nfs/dbraw/zinc/03/23/36/607032336.db2.gz GDUYTLBKAWUFNI-UHFFFAOYSA-N -1 3 356.183 3.080 20 30 FGEDHM N#Cc1cc(Br)ccc1OCc1ccccc1-c1nn[n-]n1 ZINC000822818807 607032337 /nfs/dbraw/zinc/03/23/37/607032337.db2.gz GDUYTLBKAWUFNI-UHFFFAOYSA-N -1 3 356.183 3.080 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(F)ccc(C)c1F ZINC000823915383 608291353 /nfs/dbraw/zinc/29/13/53/608291353.db2.gz WPUFJJGAQQAHTF-UHFFFAOYSA-N -1 3 369.375 3.282 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(F)ccc(C)c1F ZINC000823915383 608291354 /nfs/dbraw/zinc/29/13/54/608291354.db2.gz WPUFJJGAQQAHTF-UHFFFAOYSA-N -1 3 369.375 3.282 20 30 FGEDHM N#Cc1ccccc1-c1ccc(CNc2cnccc2-c2nnn[n-]2)cc1 ZINC000826387088 608295450 /nfs/dbraw/zinc/29/54/50/608295450.db2.gz FYSGAYODPALTEJ-UHFFFAOYSA-N -1 3 353.389 3.412 20 30 FGEDHM N#Cc1ccccc1-c1ccc(CNc2cnccc2-c2nn[n-]n2)cc1 ZINC000826387088 608295455 /nfs/dbraw/zinc/29/54/55/608295455.db2.gz FYSGAYODPALTEJ-UHFFFAOYSA-N -1 3 353.389 3.412 20 30 FGEDHM COc1cc(C#N)ccc1CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000826177243 608323195 /nfs/dbraw/zinc/32/31/95/608323195.db2.gz ZFROTQAUTKYIPZ-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM COc1cc(C#N)ccc1CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000826177243 608323196 /nfs/dbraw/zinc/32/31/96/608323196.db2.gz ZFROTQAUTKYIPZ-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM N#Cc1c(Cl)nsc1N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826383238 608442357 /nfs/dbraw/zinc/44/23/57/608442357.db2.gz QTQLKIUILIMSLG-UHFFFAOYSA-N -1 3 369.841 3.142 20 30 FGEDHM N#Cc1c(Cl)nsc1N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826383238 608442359 /nfs/dbraw/zinc/44/23/59/608442359.db2.gz QTQLKIUILIMSLG-UHFFFAOYSA-N -1 3 369.841 3.142 20 30 FGEDHM CC(C)Oc1ccc(C#N)cc1NCc1cccc(-c2nnn[n-]2)c1F ZINC000824324621 608480503 /nfs/dbraw/zinc/48/05/03/608480503.db2.gz RSOCTSUQCDKNCD-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM CC(C)Oc1ccc(C#N)cc1NCc1cccc(-c2nn[n-]n2)c1F ZINC000824324621 608480505 /nfs/dbraw/zinc/48/05/05/608480505.db2.gz RSOCTSUQCDKNCD-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM COc1ccc(CCC(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000826192084 608539335 /nfs/dbraw/zinc/53/93/35/608539335.db2.gz ZJQTXTCZYGOYQK-UHFFFAOYSA-N -1 3 371.832 3.344 20 30 FGEDHM COc1ccc(CCC(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000826192084 608539337 /nfs/dbraw/zinc/53/93/37/608539337.db2.gz ZJQTXTCZYGOYQK-UHFFFAOYSA-N -1 3 371.832 3.344 20 30 FGEDHM CC1(c2ccccc2)CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC000824843826 608540205 /nfs/dbraw/zinc/54/02/05/608540205.db2.gz KYKYKKYLEBTFES-UHFFFAOYSA-N -1 3 353.817 3.435 20 30 FGEDHM CC1(c2ccccc2)CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC000824843826 608540207 /nfs/dbraw/zinc/54/02/07/608540207.db2.gz KYKYKKYLEBTFES-UHFFFAOYSA-N -1 3 353.817 3.435 20 30 FGEDHM FC(F)C(Cc1ccccc1)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826369685 608752271 /nfs/dbraw/zinc/75/22/71/608752271.db2.gz MKLJYPZIIAYMLO-UHFFFAOYSA-N -1 3 363.759 3.191 20 30 FGEDHM FC(F)C(Cc1ccccc1)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826369685 608752274 /nfs/dbraw/zinc/75/22/74/608752274.db2.gz MKLJYPZIIAYMLO-UHFFFAOYSA-N -1 3 363.759 3.191 20 30 FGEDHM CC(N=Nc1ccc(C(F)(F)F)cn1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958059 609157139 /nfs/dbraw/zinc/15/71/39/609157139.db2.gz ADPYBMWKYVBMGP-UHFFFAOYSA-N -1 3 365.294 3.256 20 30 FGEDHM Cc1c(NC(=O)Nc2ccccc2O[C@H](C)C#N)cccc1-c1nnn[n-]1 ZINC000826242029 609160268 /nfs/dbraw/zinc/16/02/68/609160268.db2.gz XKXHCMPETYMVAQ-LLVKDONJSA-N -1 3 363.381 3.110 20 30 FGEDHM Cc1c(NC(=O)Nc2ccccc2O[C@H](C)C#N)cccc1-c1nn[n-]n1 ZINC000826242029 609160270 /nfs/dbraw/zinc/16/02/70/609160270.db2.gz XKXHCMPETYMVAQ-LLVKDONJSA-N -1 3 363.381 3.110 20 30 FGEDHM CN(C)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000825879164 609273578 /nfs/dbraw/zinc/27/35/78/609273578.db2.gz IOIXMHUDLHRACD-XBXARRHUSA-N -1 3 355.348 3.107 20 30 FGEDHM CN(C)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000825879164 609273579 /nfs/dbraw/zinc/27/35/79/609273579.db2.gz IOIXMHUDLHRACD-XBXARRHUSA-N -1 3 355.348 3.107 20 30 FGEDHM C=CCN(Cc1ccccc1F)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823919774 609289476 /nfs/dbraw/zinc/28/94/76/609289476.db2.gz QFAGBOCPKOESMV-UHFFFAOYSA-N -1 3 371.803 3.488 20 30 FGEDHM C=CCN(Cc1ccccc1F)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823919774 609289478 /nfs/dbraw/zinc/28/94/78/609289478.db2.gz QFAGBOCPKOESMV-UHFFFAOYSA-N -1 3 371.803 3.488 20 30 FGEDHM Cc1nnc(SCC#Cc2ccccc2Cl)c(-c2nnn[n-]2)c1C ZINC000826336944 609305711 /nfs/dbraw/zinc/30/57/11/609305711.db2.gz VPHFJEFDOTZBAM-UHFFFAOYSA-N -1 3 356.842 3.071 20 30 FGEDHM Cc1nnc(SCC#Cc2ccccc2Cl)c(-c2nn[n-]n2)c1C ZINC000826336944 609305713 /nfs/dbraw/zinc/30/57/13/609305713.db2.gz VPHFJEFDOTZBAM-UHFFFAOYSA-N -1 3 356.842 3.071 20 30 FGEDHM Clc1cc(NN=Cc2ccn(-c3ccccc3)n2)ccc1-c1nnn[n-]1 ZINC000826351558 609474352 /nfs/dbraw/zinc/47/43/52/609474352.db2.gz RAJJQTVWHHKIFT-UHFFFAOYSA-N -1 3 364.800 3.152 20 30 FGEDHM Clc1cc(NN=Cc2ccn(-c3ccccc3)n2)ccc1-c1nn[n-]n1 ZINC000826351558 609474355 /nfs/dbraw/zinc/47/43/55/609474355.db2.gz RAJJQTVWHHKIFT-UHFFFAOYSA-N -1 3 364.800 3.152 20 30 FGEDHM Clc1cc(NN=Cc2cc(-n3ccnc3)cs2)ccc1-c1nnn[n-]1 ZINC000826351212 609474370 /nfs/dbraw/zinc/47/43/70/609474370.db2.gz CPWNGMPAOBTAFI-UHFFFAOYSA-N -1 3 370.829 3.213 20 30 FGEDHM Clc1cc(NN=Cc2cc(-n3ccnc3)cs2)ccc1-c1nn[n-]n1 ZINC000826351212 609474372 /nfs/dbraw/zinc/47/43/72/609474372.db2.gz CPWNGMPAOBTAFI-UHFFFAOYSA-N -1 3 370.829 3.213 20 30 FGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2C)ccc1F ZINC000029066326 695708939 /nfs/dbraw/zinc/70/89/39/695708939.db2.gz MRRUVNJBNOIISQ-UHFFFAOYSA-N -1 3 362.426 3.159 20 30 FGEDHM CC(C)(C)n1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cn1 ZINC000130260600 700798608 /nfs/dbraw/zinc/79/86/08/700798608.db2.gz MBCPCDILUWQZCP-LBPRGKRZSA-N -1 3 362.792 3.392 20 30 FGEDHM N#CCCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000180126844 705729412 /nfs/dbraw/zinc/72/94/12/705729412.db2.gz FDEJBDOLGNEGGH-UHFFFAOYSA-N -1 3 362.382 3.087 20 30 FGEDHM CCCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(OC)cc2)s1 ZINC000193496751 712893633 /nfs/dbraw/zinc/89/36/33/712893633.db2.gz XUGAUMAWHRRVFZ-AWEZNQCLSA-N -1 3 357.435 3.374 20 30 FGEDHM O=S1(=O)CCc2ccc(N=Cc3cc(Br)ccc3[O-])cc21 ZINC000255027241 713680859 /nfs/dbraw/zinc/68/08/59/713680859.db2.gz GDVXFYRPPWASHJ-UHFFFAOYSA-N -1 3 366.236 3.235 20 30 FGEDHM O=C(C1CCCC1)N1CC[C@@H](/N=C\c2cc(Br)ccc2[O-])C1 ZINC000255588295 713700972 /nfs/dbraw/zinc/70/09/72/713700972.db2.gz NFEFUJWWPIDRQD-SMLKNPDNSA-N -1 3 365.271 3.365 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)CC2)c(F)c1 ZINC000525404745 714351063 /nfs/dbraw/zinc/35/10/63/714351063.db2.gz GFJWLZOBSBJVGQ-UHFFFAOYSA-N -1 3 350.802 3.318 20 30 FGEDHM C=CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000734504660 722508017 /nfs/dbraw/zinc/50/80/17/722508017.db2.gz TXSZLZYQFZJSAM-CYBMUJFWSA-N -1 3 367.814 3.239 20 30 FGEDHM C[C@@H]1CC(=N[N-]c2[nH+]cnc3[n-]cnc32)c2cccc(Br)c21 ZINC000743437296 722567464 /nfs/dbraw/zinc/56/74/64/722567464.db2.gz FBZRABMZCVUMOU-MRVPVSSYSA-N -1 3 357.215 3.439 20 30 FGEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(Br)c(F)c2)c1[O-] ZINC000746340840 722599368 /nfs/dbraw/zinc/59/93/68/722599368.db2.gz UELPRXXQBPLOTR-CNHKJKLMSA-N -1 3 353.191 3.109 20 30 FGEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccc(C)cn1 ZINC000753534940 722903160 /nfs/dbraw/zinc/90/31/60/722903160.db2.gz XVTGXCMYTIMUJS-GFCCVEGCSA-N -1 3 357.797 3.322 20 30 FGEDHM COC(=O)c1cccc(COC(=O)c2cc(Cl)c(Cl)[n-]2)c1C#N ZINC000756170669 722961435 /nfs/dbraw/zinc/96/14/35/722961435.db2.gz WHPPBQBUQJNXEZ-UHFFFAOYSA-N -1 3 353.161 3.337 20 30 FGEDHM Cn1nc(Br)cc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000759694473 723017040 /nfs/dbraw/zinc/01/70/40/723017040.db2.gz LZNVDCGOTRGQNI-LBPRGKRZSA-N -1 3 355.195 3.221 20 30 FGEDHM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)c(Cl)n1 ZINC000760325640 723049094 /nfs/dbraw/zinc/04/90/94/723049094.db2.gz PAAQQECXJBYHJB-UHFFFAOYSA-N -1 3 358.206 3.069 20 30 FGEDHM C#C[C@@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccc(Cl)cc1F ZINC000794736640 723543811 /nfs/dbraw/zinc/54/38/11/723543811.db2.gz PMIBMNDAYCGTGX-XBNGYDHASA-N -1 3 354.768 3.054 20 30 FGEDHM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000795317783 723581590 /nfs/dbraw/zinc/58/15/90/723581590.db2.gz JUDOJKAFHBITBJ-ZIAGYGMSSA-N -1 3 354.497 3.107 20 30 FGEDHM Cc1cc(Cl)ccc1C=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000767380120 723616894 /nfs/dbraw/zinc/61/68/94/723616894.db2.gz QMJUCYHUQYUNQJ-UHFFFAOYSA-N -1 3 367.814 3.010 20 30 FGEDHM C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000796096941 723620693 /nfs/dbraw/zinc/62/06/93/723620693.db2.gz JCBWODRTMMMSLL-ZDUSSCGKSA-N -1 3 369.273 3.301 20 30 FGEDHM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000796096182 723620772 /nfs/dbraw/zinc/62/07/72/723620772.db2.gz ALCSKIVWLYSDCL-OAHLLOKOSA-N -1 3 351.830 3.392 20 30 FGEDHM N#CCSc1ccccc1NC(=O)COC(=O)c1cc2occc2[n-]1 ZINC000786031043 724955054 /nfs/dbraw/zinc/95/50/54/724955054.db2.gz HRPJCCKHVLAASX-UHFFFAOYSA-N -1 3 355.375 3.172 20 30 FGEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)c2ccc(Br)cc2)c1 ZINC000811184044 725349339 /nfs/dbraw/zinc/34/93/39/725349339.db2.gz GBZSXNFUARBVPI-UHFFFAOYSA-N -1 3 360.163 3.066 20 30 FGEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)c2ccccc2Br)c1 ZINC000811187322 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FGEDHM C=CC(C)(C)CCCNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000873114261 735721415 /nfs/dbraw/zinc/72/14/15/735721415.db2.gz ZZYHSJLWZYSDEK-CYBMUJFWSA-N -1 3 363.424 3.079 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2ccsc2[C@@H]1C ZINC000882189078 737430742 /nfs/dbraw/zinc/43/07/42/737430742.db2.gz MTZATEMNJADJGI-ZDUSSCGKSA-N -1 3 355.463 3.416 20 30 FGEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H]1CCC2(CCOCC2)O1 ZINC000899227644 742893829 /nfs/dbraw/zinc/89/38/29/742893829.db2.gz PBYBLEBMHIBYCX-XKYMITNMSA-N -1 3 354.244 3.302 20 30 FGEDHM COCCn1ncc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c1C ZINC000901378400 743262951 /nfs/dbraw/zinc/26/29/51/743262951.db2.gz HAHDVOUZSXYKGU-UHFFFAOYSA-N -1 3 358.225 3.176 20 30 FGEDHM COCc1cc([N-]S(=O)(=O)c2ccc(CCC#N)cc2)ccc1OC ZINC000901695848 743621916 /nfs/dbraw/zinc/62/19/16/743621916.db2.gz MGCYUVHNRWSSDR-UHFFFAOYSA-N -1 3 360.435 3.099 20 30 FGEDHM O=C(C1CCC(OC[C@H]2CCCO2)CC1)N([O-])Cc1ccc(F)cc1 ZINC000904177366 743935732 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CC(C)NC(=O)Nc1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000053528430 205193522 /nfs/dbraw/zinc/19/35/22/205193522.db2.gz GZKHVDMQHKFRAA-UHFFFAOYSA-N -1 3 365.397 3.033 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1OCC1CC1 ZINC000076933106 493990602 /nfs/dbraw/zinc/99/06/02/493990602.db2.gz BADJMFJJBFMWCQ-UHFFFAOYSA-N -1 3 365.433 3.224 20 30 FGEDHM N#Cc1cccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c1 ZINC000036752574 494097815 /nfs/dbraw/zinc/09/78/15/494097815.db2.gz QRMKPGNAGRYSAI-UHFFFAOYSA-N -1 3 355.188 3.261 20 30 FGEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cnn(-c2ccccc2Cl)c1 ZINC000064490265 494129117 /nfs/dbraw/zinc/12/91/17/494129117.db2.gz BWOYVJUFQSORLN-UHFFFAOYSA-N -1 3 365.784 3.342 20 30 FGEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cnn(-c2ccccc2Cl)c1 ZINC000064490265 494129118 /nfs/dbraw/zinc/12/91/18/494129118.db2.gz BWOYVJUFQSORLN-UHFFFAOYSA-N -1 3 365.784 3.342 20 30 FGEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cnn(-c2ccccc2Cl)c1 ZINC000064490265 494129122 /nfs/dbraw/zinc/12/91/22/494129122.db2.gz BWOYVJUFQSORLN-UHFFFAOYSA-N -1 3 365.784 3.342 20 30 FGEDHM O=C(CSc1nc2ccccc2o1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000053526147 494142779 /nfs/dbraw/zinc/14/27/79/494142779.db2.gz IGHSHQZQEPEMLR-UHFFFAOYSA-N -1 3 352.379 3.388 20 30 FGEDHM O=C(CSc1nc2ccccc2o1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053526147 494142782 /nfs/dbraw/zinc/14/27/82/494142782.db2.gz IGHSHQZQEPEMLR-UHFFFAOYSA-N -1 3 352.379 3.388 20 30 FGEDHM O=C(CSc1nc2ccccc2o1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000053526147 494142787 /nfs/dbraw/zinc/14/27/87/494142787.db2.gz IGHSHQZQEPEMLR-UHFFFAOYSA-N -1 3 352.379 3.388 20 30 FGEDHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000053527167 494142861 /nfs/dbraw/zinc/14/28/61/494142861.db2.gz CWDKWANVBWUILB-RISCZKNCSA-N -1 3 362.393 3.098 20 30 FGEDHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000053527167 494142864 /nfs/dbraw/zinc/14/28/64/494142864.db2.gz CWDKWANVBWUILB-RISCZKNCSA-N -1 3 362.393 3.098 20 30 FGEDHM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000053527167 494142868 /nfs/dbraw/zinc/14/28/68/494142868.db2.gz CWDKWANVBWUILB-RISCZKNCSA-N -1 3 362.393 3.098 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1OC(C)C ZINC000042919400 494252409 /nfs/dbraw/zinc/25/24/09/494252409.db2.gz YMHFEBZGFVDNCJ-UHFFFAOYSA-N -1 3 353.422 3.222 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc1 ZINC000066585722 494359815 /nfs/dbraw/zinc/35/98/15/494359815.db2.gz MJZAIKWFWBAQPH-UHFFFAOYSA-N -1 3 358.810 3.198 20 30 FGEDHM CCN(Cc1ccccc1C)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000045392837 494422854 /nfs/dbraw/zinc/42/28/54/494422854.db2.gz PYPULYKFLGYGLA-UHFFFAOYSA-N -1 3 351.450 3.153 20 30 FGEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000056015991 494442856 /nfs/dbraw/zinc/44/28/56/494442856.db2.gz NDPJZXNUBLDYJZ-UHFFFAOYSA-N -1 3 374.444 3.016 20 30 FGEDHM CC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc(F)cc1F ZINC000126033703 494613705 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N#CCC[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccccc1 ZINC000124494187 495296177 /nfs/dbraw/zinc/29/61/77/495296177.db2.gz XWNCPHXRROAQML-ZDUSSCGKSA-N -1 3 354.353 3.427 20 30 FGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)nc1)c1nc(-c2ccccc2)cs1 ZINC000107310575 495525211 /nfs/dbraw/zinc/52/52/11/495525211.db2.gz FOWTYLCBEJHDPT-LBPRGKRZSA-N -1 3 370.459 3.116 20 30 FGEDHM Cc1cc(F)c(C(=O)[N-]c2ncn(Cc3ccc(C#N)cc3)n2)cc1F ZINC000150764437 495626668 /nfs/dbraw/zinc/62/66/68/495626668.db2.gz BIEUUEKTPZAEFW-UHFFFAOYSA-N -1 3 353.332 3.037 20 30 FGEDHM CC(C)OC1CCC([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC000159404923 495726952 /nfs/dbraw/zinc/72/69/52/495726952.db2.gz SCRDVEFHMAOJFK-UHFFFAOYSA-N -1 3 356.875 3.226 20 30 FGEDHM CC[C@H](C)Oc1cc(C([O-])=C(C#N)c2nnc3n2CCCCC3)ccn1 ZINC000179913573 495780265 /nfs/dbraw/zinc/78/02/65/495780265.db2.gz DMQNNBQAKDLMON-ZFWWWQNUSA-N -1 3 353.426 3.067 20 30 FGEDHM C[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)c1ncc(-c2ccccc2)o1 ZINC000151570481 495882179 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COc1ccc(C=CC(=O)c2c(C)nn(C(C)C)c2C)cc1-c1nn[n-]n1 ZINC000737081353 599154995 /nfs/dbraw/zinc/15/49/95/599154995.db2.gz NPLFGTWWIKUKAF-SOFGYWHQSA-N -1 3 366.425 3.166 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(C)ccc2F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737345440 599193636 /nfs/dbraw/zinc/19/36/36/599193636.db2.gz REZYTYZHADLJDK-SOFGYWHQSA-N -1 3 351.385 3.266 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(C)ccc2F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737345440 599193638 /nfs/dbraw/zinc/19/36/38/599193638.db2.gz REZYTYZHADLJDK-SOFGYWHQSA-N -1 3 351.385 3.266 20 30 FGEDHM C[C@H](C#N)COC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819856338 607323229 /nfs/dbraw/zinc/32/32/29/607323229.db2.gz IUCBKQRQUNMRGS-GFCCVEGCSA-N -1 3 365.418 3.334 20 30 FGEDHM C[C@H](C#N)COC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819856338 607323230 /nfs/dbraw/zinc/32/32/30/607323230.db2.gz IUCBKQRQUNMRGS-GFCCVEGCSA-N -1 3 365.418 3.334 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)OC[C@@H](C)C#N)cc1 ZINC000822144455 607323502 /nfs/dbraw/zinc/32/35/02/607323502.db2.gz MGRFDYAUPVTJII-LBPRGKRZSA-N -1 3 363.377 3.284 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)OC[C@@H](C)C#N)cc1 ZINC000822144455 607323503 /nfs/dbraw/zinc/32/35/03/607323503.db2.gz MGRFDYAUPVTJII-LBPRGKRZSA-N -1 3 363.377 3.284 20 30 FGEDHM Cc1nc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cs1 ZINC000737474743 598316003 /nfs/dbraw/zinc/31/60/03/598316003.db2.gz RWCXQSDWPUWPEC-UHFFFAOYSA-N -1 3 353.333 3.096 20 30 FGEDHM Cc1nc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cs1 ZINC000737474743 598316005 /nfs/dbraw/zinc/31/60/05/598316005.db2.gz RWCXQSDWPUWPEC-UHFFFAOYSA-N -1 3 353.333 3.096 20 30 FGEDHM C#Cc1cccc(NC(=S)Nc2cc(-c3nnn[n-]3)ccc2OCC)c1 ZINC000735391690 598321560 /nfs/dbraw/zinc/32/15/60/598321560.db2.gz WGDHJPMRDWAKNA-UHFFFAOYSA-N -1 3 364.434 3.056 20 30 FGEDHM C#Cc1cccc(NC(=S)Nc2cc(-c3nn[n-]n3)ccc2OCC)c1 ZINC000735391690 598321562 /nfs/dbraw/zinc/32/15/62/598321562.db2.gz WGDHJPMRDWAKNA-UHFFFAOYSA-N -1 3 364.434 3.056 20 30 FGEDHM CCc1c(C)sc(NC(=O)C=Cc2ccccc2C#N)c1-c1nnn[n-]1 ZINC000736670808 598516776 /nfs/dbraw/zinc/51/67/76/598516776.db2.gz SHTURHQOBRGZQN-CMDGGOBGSA-N -1 3 364.434 3.323 20 30 FGEDHM CCc1c(C)sc(NC(=O)C=Cc2ccccc2C#N)c1-c1nn[n-]n1 ZINC000736670808 598516777 /nfs/dbraw/zinc/51/67/77/598516777.db2.gz SHTURHQOBRGZQN-CMDGGOBGSA-N -1 3 364.434 3.323 20 30 FGEDHM C=CCCC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000735408939 598591320 /nfs/dbraw/zinc/59/13/20/598591320.db2.gz VRBXAQCZIDAPAQ-UHFFFAOYSA-N -1 3 367.384 3.490 20 30 FGEDHM C=CCCC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000735408939 598591322 /nfs/dbraw/zinc/59/13/22/598591322.db2.gz VRBXAQCZIDAPAQ-UHFFFAOYSA-N -1 3 367.384 3.490 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(C)c(F)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737331659 598641002 /nfs/dbraw/zinc/64/10/02/598641002.db2.gz YHYUTHWQRBTZIV-BQYQJAHWSA-N -1 3 351.385 3.266 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(C)c(F)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737331659 598641004 /nfs/dbraw/zinc/64/10/04/598641004.db2.gz YHYUTHWQRBTZIV-BQYQJAHWSA-N -1 3 351.385 3.266 20 30 FGEDHM C=CC1CCN(C(=O)Nc2cc(-c3nnn[n-]3)ccc2OC(C)C)CC1 ZINC000735403527 598728736 /nfs/dbraw/zinc/72/87/36/598728736.db2.gz YFMBDNRRTDZZNH-UHFFFAOYSA-N -1 3 356.430 3.084 20 30 FGEDHM C=CC1CCN(C(=O)Nc2cc(-c3nn[n-]n3)ccc2OC(C)C)CC1 ZINC000735403527 598728739 /nfs/dbraw/zinc/72/87/39/598728739.db2.gz YFMBDNRRTDZZNH-UHFFFAOYSA-N -1 3 356.430 3.084 20 30 FGEDHM Cc1cc(C)c(-c2nnn[n-]2)c(SCc2ccc(OCC#N)cc2)n1 ZINC000737239327 598802796 /nfs/dbraw/zinc/80/27/96/598802796.db2.gz COWPDLSVWKYGFW-UHFFFAOYSA-N -1 3 352.423 3.073 20 30 FGEDHM Cc1cc(C)c(-c2nn[n-]n2)c(SCc2ccc(OCC#N)cc2)n1 ZINC000737239327 598802797 /nfs/dbraw/zinc/80/27/97/598802797.db2.gz COWPDLSVWKYGFW-UHFFFAOYSA-N -1 3 352.423 3.073 20 30 FGEDHM N#Cc1cccc(OCCNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000737730432 599331491 /nfs/dbraw/zinc/33/14/91/599331491.db2.gz KWGHRXLBLHHAQZ-UHFFFAOYSA-N -1 3 374.326 3.248 20 30 FGEDHM N#Cc1cccc(OCCNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000737730432 599331494 /nfs/dbraw/zinc/33/14/94/599331494.db2.gz KWGHRXLBLHHAQZ-UHFFFAOYSA-N -1 3 374.326 3.248 20 30 FGEDHM N#CC1(C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CCC1 ZINC000737679448 599497907 /nfs/dbraw/zinc/49/79/07/599497907.db2.gz QRZSFSIBSMODQR-UHFFFAOYSA-N -1 3 359.389 3.271 20 30 FGEDHM N#CC1(C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CCC1 ZINC000737679448 599497910 /nfs/dbraw/zinc/49/79/10/599497910.db2.gz QRZSFSIBSMODQR-UHFFFAOYSA-N -1 3 359.389 3.271 20 30 FGEDHM C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820254599 599630974 /nfs/dbraw/zinc/63/09/74/599630974.db2.gz RMXZYBGDFGCIOD-LBPRGKRZSA-N -1 3 364.384 3.085 20 30 FGEDHM C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820254599 599630975 /nfs/dbraw/zinc/63/09/75/599630975.db2.gz RMXZYBGDFGCIOD-LBPRGKRZSA-N -1 3 364.384 3.085 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc2cnccc21 ZINC000819745604 599649295 /nfs/dbraw/zinc/64/92/95/599649295.db2.gz LTWUWGRTFVEZSF-UHFFFAOYSA-N -1 3 370.416 3.243 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc2cnccc21 ZINC000819745604 599649296 /nfs/dbraw/zinc/64/92/96/599649296.db2.gz LTWUWGRTFVEZSF-UHFFFAOYSA-N -1 3 370.416 3.243 20 30 FGEDHM C=CC1CCN(C(=O)Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)CC1 ZINC000819730173 607427181 /nfs/dbraw/zinc/42/71/81/607427181.db2.gz ROYGLFPVBUTFRU-UHFFFAOYSA-N -1 3 356.430 3.084 20 30 FGEDHM C=CC1CCN(C(=O)Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)CC1 ZINC000819730173 607427182 /nfs/dbraw/zinc/42/71/82/607427182.db2.gz ROYGLFPVBUTFRU-UHFFFAOYSA-N -1 3 356.430 3.084 20 30 FGEDHM C=CCc1cc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)cc(OC)c1OC ZINC000736115016 600430573 /nfs/dbraw/zinc/43/05/73/600430573.db2.gz UHXGUCXTWZHVFT-GOSISDBHSA-N -1 3 359.397 3.487 20 30 FGEDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000737336764 600566998 /nfs/dbraw/zinc/56/69/98/600566998.db2.gz SQNLLYHUUBPVBQ-IAGOWNOFSA-N -1 3 373.453 3.015 20 30 FGEDHM CC1(C)CN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000736736191 600568497 /nfs/dbraw/zinc/56/84/97/600568497.db2.gz YPANFQDCXWQSQJ-HXUWFJFHSA-N -1 3 363.461 3.280 20 30 FGEDHM O=C(/C=C\c1ccc(-c2nn[n-]n2)cc1F)c1c(Cl)nc2sccn21 ZINC000822922634 607460596 /nfs/dbraw/zinc/46/05/96/607460596.db2.gz IIJPGUVYUYBTMY-ARJAWSKDSA-N -1 3 374.788 3.265 20 30 FGEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNCc1ccc(Cl)cc1Cl ZINC000822740414 607463728 /nfs/dbraw/zinc/46/37/28/607463728.db2.gz JBGMOHQWBWMSFN-UHFFFAOYSA-N -1 3 365.199 3.436 20 30 FGEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNCc1ccc(Cl)cc1Cl ZINC000822740414 607463730 /nfs/dbraw/zinc/46/37/30/607463730.db2.gz JBGMOHQWBWMSFN-UHFFFAOYSA-N -1 3 365.199 3.436 20 30 FGEDHM COc1ccc(CSCCOc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000826207961 607532623 /nfs/dbraw/zinc/53/26/23/607532623.db2.gz MLEKXQKKYDEGTO-UHFFFAOYSA-N -1 3 367.434 3.059 20 30 FGEDHM COc1ccc(CSCCOc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000826207961 607532625 /nfs/dbraw/zinc/53/26/25/607532625.db2.gz MLEKXQKKYDEGTO-UHFFFAOYSA-N -1 3 367.434 3.059 20 30 FGEDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCC#Cc2ccccc2Cl)n1 ZINC000826324462 607544950 /nfs/dbraw/zinc/54/49/50/607544950.db2.gz RSEUTOQEVLVOMW-UHFFFAOYSA-N -1 3 356.842 3.071 20 30 FGEDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCC#Cc1ccccc1Cl ZINC000826408388 607599763 /nfs/dbraw/zinc/59/97/63/607599763.db2.gz DEFKSCQJOAVRAW-UHFFFAOYSA-N -1 3 366.808 3.048 20 30 FGEDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCC#Cc1ccccc1Cl ZINC000826408388 607599764 /nfs/dbraw/zinc/59/97/64/607599764.db2.gz DEFKSCQJOAVRAW-UHFFFAOYSA-N -1 3 366.808 3.048 20 30 FGEDHM C[C@@H](CC(=O)C(C#N)c1nc2ccccc2o1)C1CCN(C(=O)[O-])CC1 ZINC000824549683 604387780 /nfs/dbraw/zinc/38/77/80/604387780.db2.gz BYNMLMBRASQMBK-JSGCOSHPSA-N -1 3 355.394 3.420 20 30 FGEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)N(CCC#N)CCC(C)C ZINC000821406425 606152009 /nfs/dbraw/zinc/15/20/09/606152009.db2.gz DNWJZGOEFKQGQA-UHFFFAOYSA-N -1 3 371.445 3.059 20 30 FGEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)N(CCC#N)CCC(C)C ZINC000821406425 606152010 /nfs/dbraw/zinc/15/20/10/606152010.db2.gz DNWJZGOEFKQGQA-UHFFFAOYSA-N -1 3 371.445 3.059 20 30 FGEDHM N#Cc1ccc(NN=Cc2cc(-c3nnn[n-]3)cs2)cc1C(F)(F)F ZINC000822832415 606206457 /nfs/dbraw/zinc/20/64/57/606206457.db2.gz AKRNPWIPSIITIZ-UHFFFAOYSA-N -1 3 363.328 3.265 20 30 FGEDHM N#Cc1ccc(NN=Cc2cc(-c3nn[n-]n3)cs2)cc1C(F)(F)F ZINC000822832415 606206458 /nfs/dbraw/zinc/20/64/58/606206458.db2.gz AKRNPWIPSIITIZ-UHFFFAOYSA-N -1 3 363.328 3.265 20 30 FGEDHM CC(C[C@@H]1CCOC1)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820233458 606340720 /nfs/dbraw/zinc/34/07/20/606340720.db2.gz KJSGHZCPVFCLJG-JTQLQIEISA-N -1 3 354.336 3.100 20 30 FGEDHM CC(C[C@@H]1CCOC1)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820233458 606340722 /nfs/dbraw/zinc/34/07/22/606340722.db2.gz KJSGHZCPVFCLJG-JTQLQIEISA-N -1 3 354.336 3.100 20 30 FGEDHM Cc1cccc(N=C2NC(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)S2)c1 ZINC000822323631 606387245 /nfs/dbraw/zinc/38/72/45/606387245.db2.gz LHGWKCIAJBAYOU-JYRVWZFOSA-N -1 3 368.447 3.128 20 30 FGEDHM COc1ccc2[nH]cc(C(=O)C=Cc3ccc(-c4nnn[n-]4)s3)c2c1 ZINC000821845175 606392048 /nfs/dbraw/zinc/39/20/48/606392048.db2.gz CFPDAHVRFSRBHO-UTCJRWHESA-N -1 3 351.391 3.314 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822801853 606437435 /nfs/dbraw/zinc/43/74/35/606437435.db2.gz PPBJLRLBCRXCQV-ROUUACIJSA-N -1 3 373.420 3.170 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822801853 606437436 /nfs/dbraw/zinc/43/74/36/606437436.db2.gz PPBJLRLBCRXCQV-ROUUACIJSA-N -1 3 373.420 3.170 20 30 FGEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000819745383 606965073 /nfs/dbraw/zinc/96/50/73/606965073.db2.gz AHXPQBAJIFXDNO-UHFFFAOYSA-N -1 3 368.372 3.102 20 30 FGEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000819745383 606965074 /nfs/dbraw/zinc/96/50/74/606965074.db2.gz AHXPQBAJIFXDNO-UHFFFAOYSA-N -1 3 368.372 3.102 20 30 FGEDHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(C#N)cc1 ZINC000820373439 607197021 /nfs/dbraw/zinc/19/70/21/607197021.db2.gz HOTHHNNYHOAKJV-SNVBAGLBSA-N -1 3 367.800 3.274 20 30 FGEDHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(C#N)cc1 ZINC000820373439 607197022 /nfs/dbraw/zinc/19/70/22/607197022.db2.gz HOTHHNNYHOAKJV-SNVBAGLBSA-N -1 3 367.800 3.274 20 30 FGEDHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(C#N)c1 ZINC000820373472 607204403 /nfs/dbraw/zinc/20/44/03/607204403.db2.gz IEDJWZZESHZMFJ-JTQLQIEISA-N -1 3 367.800 3.274 20 30 FGEDHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(C#N)c1 ZINC000820373472 607204404 /nfs/dbraw/zinc/20/44/04/607204404.db2.gz IEDJWZZESHZMFJ-JTQLQIEISA-N -1 3 367.800 3.274 20 30 FGEDHM N#Cc1cc(-c2nnn[n-]2)c(S[C@@H]2CCCc3ccc(F)cc32)nc1N ZINC000826383622 607809035 /nfs/dbraw/zinc/80/90/35/607809035.db2.gz JBKUPAVKJVSRNF-CQSZACIVSA-N -1 3 367.413 3.024 20 30 FGEDHM N#Cc1cc(-c2nn[n-]n2)c(S[C@@H]2CCCc3ccc(F)cc32)nc1N ZINC000826383622 607809036 /nfs/dbraw/zinc/80/90/36/607809036.db2.gz JBKUPAVKJVSRNF-CQSZACIVSA-N -1 3 367.413 3.024 20 30 FGEDHM C=CCN(CC=C)C(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823903425 607844946 /nfs/dbraw/zinc/84/49/46/607844946.db2.gz ADQFOJLNMRNXET-LLVKDONJSA-N -1 3 363.874 3.201 20 30 FGEDHM C=CCN(CC=C)C(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823903425 607844947 /nfs/dbraw/zinc/84/49/47/607844947.db2.gz ADQFOJLNMRNXET-LLVKDONJSA-N -1 3 363.874 3.201 20 30 FGEDHM C=C(C)[C@@H](CC(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)OCC ZINC000823872600 607885593 /nfs/dbraw/zinc/88/55/93/607885593.db2.gz BPGLZNRYLWDTEL-WMLDXEAASA-N -1 3 357.458 3.148 20 30 FGEDHM C=C(C)[C@@H](CC(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)OCC ZINC000823872600 607885594 /nfs/dbraw/zinc/88/55/94/607885594.db2.gz BPGLZNRYLWDTEL-WMLDXEAASA-N -1 3 357.458 3.148 20 30 FGEDHM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000824457575 607925842 /nfs/dbraw/zinc/92/58/42/607925842.db2.gz QDGXSFSWUQETNV-LLVKDONJSA-N -1 3 366.812 3.209 20 30 FGEDHM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000824457575 607925843 /nfs/dbraw/zinc/92/58/43/607925843.db2.gz QDGXSFSWUQETNV-LLVKDONJSA-N -1 3 366.812 3.209 20 30 FGEDHM COc1ccc(CSCc2ccc(-c3nnn[n-]3)cc2F)cc1C#N ZINC000826208133 607984429 /nfs/dbraw/zinc/98/44/29/607984429.db2.gz VBXUHWUQBUHIOB-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM COc1ccc(CSCc2ccc(-c3nn[n-]n3)cc2F)cc1C#N ZINC000826208133 607984430 /nfs/dbraw/zinc/98/44/30/607984430.db2.gz VBXUHWUQBUHIOB-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM Cn1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c(-c2ccccc2)n1 ZINC000826360097 608213574 /nfs/dbraw/zinc/21/35/74/608213574.db2.gz XNEHRXGVLNWZBT-ZHACJKMWSA-N -1 3 356.389 3.163 20 30 FGEDHM Cn1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(-c2ccccc2)n1 ZINC000826360097 608213575 /nfs/dbraw/zinc/21/35/75/608213575.db2.gz XNEHRXGVLNWZBT-ZHACJKMWSA-N -1 3 356.389 3.163 20 30 FGEDHM C#CCCCCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000823838183 608292488 /nfs/dbraw/zinc/29/24/88/608292488.db2.gz LCJDNJFAENMLSJ-UHFFFAOYSA-N -1 3 362.393 3.186 20 30 FGEDHM C#CCCCCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000823838183 608292489 /nfs/dbraw/zinc/29/24/89/608292489.db2.gz LCJDNJFAENMLSJ-UHFFFAOYSA-N -1 3 362.393 3.186 20 30 FGEDHM COc1cc(-c2nnn[n-]2)ccc1CNc1cccc(OCCCC#N)c1 ZINC000826170853 608319552 /nfs/dbraw/zinc/31/95/52/608319552.db2.gz RQBDFJNCLZXLKN-UHFFFAOYSA-N -1 3 364.409 3.170 20 30 FGEDHM COc1cc(-c2nn[n-]n2)ccc1CNc1cccc(OCCCC#N)c1 ZINC000826170853 608319554 /nfs/dbraw/zinc/31/95/54/608319554.db2.gz RQBDFJNCLZXLKN-UHFFFAOYSA-N -1 3 364.409 3.170 20 30 FGEDHM C#CCCCCNC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823840681 608352012 /nfs/dbraw/zinc/35/20/12/608352012.db2.gz BEXFZQUTURQIQX-UHFFFAOYSA-N -1 3 374.448 3.136 20 30 FGEDHM C#CCCCCNC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823840681 608352014 /nfs/dbraw/zinc/35/20/14/608352014.db2.gz BEXFZQUTURQIQX-UHFFFAOYSA-N -1 3 374.448 3.136 20 30 FGEDHM C#C[C@H](OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000823837741 608454635 /nfs/dbraw/zinc/45/46/35/608454635.db2.gz GWDVMMXNWOQQRA-IBGZPJMESA-N -1 3 374.400 3.014 20 30 FGEDHM CCN(CCC#N)Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825420041 608514620 /nfs/dbraw/zinc/51/46/20/608514620.db2.gz YWHGFXOZWSKOIM-UHFFFAOYSA-N -1 3 362.437 3.181 20 30 FGEDHM CCN(CCC#N)Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825420041 608514622 /nfs/dbraw/zinc/51/46/22/608514622.db2.gz YWHGFXOZWSKOIM-UHFFFAOYSA-N -1 3 362.437 3.181 20 30 FGEDHM Clc1ccc2c(c1)C(N=Nc1cc(-c3nnn[n-]3)cc(Cl)n1)CC2 ZINC000826352501 608538007 /nfs/dbraw/zinc/53/80/07/608538007.db2.gz CYFFFTUYHUJGOP-UHFFFAOYSA-N -1 3 360.208 3.331 20 30 FGEDHM Clc1ccc2c(c1)C(N=Nc1cc(-c3nn[n-]n3)cc(Cl)n1)CC2 ZINC000826352501 608538008 /nfs/dbraw/zinc/53/80/08/608538008.db2.gz CYFFFTUYHUJGOP-UHFFFAOYSA-N -1 3 360.208 3.331 20 30 FGEDHM CC1(C)Cc2occc2C(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC000824790784 608540242 /nfs/dbraw/zinc/54/02/42/608540242.db2.gz QPMXNCYIJORAHE-UHFFFAOYSA-N -1 3 357.805 3.297 20 30 FGEDHM C[C@H](C#N)CN(C)Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824034330 608596344 /nfs/dbraw/zinc/59/63/44/608596344.db2.gz IOLXESORIXVNLJ-OAHLLOKOSA-N -1 3 362.437 3.037 20 30 FGEDHM C[C@H](C#N)CN(C)Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824034330 608596345 /nfs/dbraw/zinc/59/63/45/608596345.db2.gz IOLXESORIXVNLJ-OAHLLOKOSA-N -1 3 362.437 3.037 20 30 FGEDHM C=CCN(Cc1nc2ccccc2n1CC)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914113 608631285 /nfs/dbraw/zinc/63/12/85/608631285.db2.gz AKZOYCJEEZKDGB-UHFFFAOYSA-N -1 3 373.464 3.425 20 30 FGEDHM C=CCN(Cc1nc2ccccc2n1CC)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914113 608631287 /nfs/dbraw/zinc/63/12/87/608631287.db2.gz AKZOYCJEEZKDGB-UHFFFAOYSA-N -1 3 373.464 3.425 20 30 FGEDHM COc1cc(C)c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1OC ZINC000826177858 608879314 /nfs/dbraw/zinc/87/93/14/608879314.db2.gz YHHMDWJQBKINCA-FNORWQNLSA-N -1 3 368.368 3.228 20 30 FGEDHM COc1cc(C)c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1OC ZINC000826177858 608879316 /nfs/dbraw/zinc/87/93/16/608879316.db2.gz YHHMDWJQBKINCA-FNORWQNLSA-N -1 3 368.368 3.228 20 30 FGEDHM C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824723005 609256335 /nfs/dbraw/zinc/25/63/35/609256335.db2.gz LZVBAURATOCPND-CYBMUJFWSA-N -1 3 359.389 3.340 20 30 FGEDHM C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824723005 609256336 /nfs/dbraw/zinc/25/63/36/609256336.db2.gz LZVBAURATOCPND-CYBMUJFWSA-N -1 3 359.389 3.340 20 30 FGEDHM Cn1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)c(C2CCCCC2)n1 ZINC000826360687 609467478 /nfs/dbraw/zinc/46/74/78/609467478.db2.gz UICLCNWUUUNHFZ-UHFFFAOYSA-N -1 3 350.430 3.094 20 30 FGEDHM Clc1cc(N=NC=C2COc3ccccc3C2)ccc1-c1nnn[n-]1 ZINC000826351451 609471963 /nfs/dbraw/zinc/47/19/63/609471963.db2.gz MZUMKMQGSBRILF-UHFFFAOYSA-N -1 3 352.785 3.394 20 30 FGEDHM Clc1cc(N=NC=C2COc3ccccc3C2)ccc1-c1nn[n-]n1 ZINC000826351451 609471965 /nfs/dbraw/zinc/47/19/65/609471965.db2.gz MZUMKMQGSBRILF-UHFFFAOYSA-N -1 3 352.785 3.394 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)NCCCC#N)cc1 ZINC000826255195 609515609 /nfs/dbraw/zinc/51/56/09/609515609.db2.gz OZYBYXDGAZSHJN-UHFFFAOYSA-N -1 3 362.393 3.001 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)NCCCC#N)cc1 ZINC000826255195 609515610 /nfs/dbraw/zinc/51/56/10/609515610.db2.gz OZYBYXDGAZSHJN-UHFFFAOYSA-N -1 3 362.393 3.001 20 30 FGEDHM O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1n[n-]c(-c2ccco2)n1 ZINC000073974334 695975686 /nfs/dbraw/zinc/97/56/86/695975686.db2.gz QOQFKEGQPVOHOX-UHFFFAOYSA-N -1 3 360.757 3.320 20 30 FGEDHM N#C[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1cccc(Cl)c1Cl ZINC000118336989 700609438 /nfs/dbraw/zinc/60/94/38/700609438.db2.gz DKVMEGYDAYLSCP-ZDUSSCGKSA-N -1 3 373.199 3.225 20 30 FGEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccnc2Cl)c1 ZINC000153966784 705017894 /nfs/dbraw/zinc/01/78/94/705017894.db2.gz KUZVALPVUOTXFB-UHFFFAOYSA-N -1 3 372.631 3.170 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2Cl)cc1C(F)(F)F ZINC000177619826 705631293 /nfs/dbraw/zinc/63/12/93/705631293.db2.gz IGSIRNWQFKNERT-UHFFFAOYSA-N -1 3 361.732 3.426 20 30 FGEDHM CC(C)(C#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000181842283 705810927 /nfs/dbraw/zinc/81/09/27/705810927.db2.gz MDPIUYRHDUUNFV-UHFFFAOYSA-N -1 3 362.382 3.085 20 30 FGEDHM N#Cc1cc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)ccc1Cl ZINC000194146083 713511837 /nfs/dbraw/zinc/51/18/37/713511837.db2.gz HONUSHILHHDTHA-UHFFFAOYSA-N -1 3 358.810 3.198 20 30 FGEDHM CS(=O)(=O)CCOc1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255553468 713699864 /nfs/dbraw/zinc/69/98/64/713699864.db2.gz CFIYHKYFZUCDAG-UHFFFAOYSA-N -1 3 353.827 3.220 20 30 FGEDHM COc1cc(/C=C\C(=O)c2cc(O)cc(O)c2)cc(Br)c1[O-] ZINC000255757992 713706261 /nfs/dbraw/zinc/70/62/61/713706261.db2.gz BRCDEGYUQNYDHN-IHWYPQMZSA-N -1 3 365.179 3.471 20 30 FGEDHM COCc1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)c1 ZINC000522045713 714166748 /nfs/dbraw/zinc/16/67/48/714166748.db2.gz DVMDTNKCPYEFHN-UHFFFAOYSA-N -1 3 354.790 3.298 20 30 FGEDHM C#C[C@@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccc(Cl)cc1F ZINC000804424580 724515889 /nfs/dbraw/zinc/51/58/89/724515889.db2.gz LXZIJTNSXADZLX-MRXNPFEDSA-N -1 3 360.772 3.247 20 30 FGEDHM CCc1cc(Br)ccc1NN=C1C(=O)Nc2cc([O-])ccc21 ZINC000783871255 724798720 /nfs/dbraw/zinc/79/87/20/724798720.db2.gz FBJHJXQXYQTMIA-UHFFFAOYSA-N -1 3 360.211 3.485 20 30 FGEDHM Cc1ncc(CO)c(/C=N/CCOc2ccccc2C(F)(F)F)c1[O-] ZINC000730146865 722465521 /nfs/dbraw/zinc/46/55/21/722465521.db2.gz HMFJFYJCPWKAKF-ZVBGSRNCSA-N -1 3 354.328 3.105 20 30 FGEDHM C=CCCCOC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000735533293 722517290 /nfs/dbraw/zinc/51/72/90/722517290.db2.gz UPYNJYCATGLZHG-UHFFFAOYSA-N -1 3 366.266 3.171 20 30 FGEDHM COC(=O)[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccc(C#N)cc1 ZINC000740210725 722535339 /nfs/dbraw/zinc/53/53/39/722535339.db2.gz IQIKJTZRJQJELJ-GFCCVEGCSA-N -1 3 353.161 3.264 20 30 FGEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1CCN(CC(F)(F)F)C1 ZINC000747033059 722627841 /nfs/dbraw/zinc/62/78/41/722627841.db2.gz NBQTYVJFIADORB-LPCKLDLISA-N -1 3 351.166 3.210 20 30 FGEDHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1ccc(C#N)cc1 ZINC000767085317 723606508 /nfs/dbraw/zinc/60/65/08/723606508.db2.gz YBBVJXPYSIAGPZ-SECBINFHSA-N -1 3 356.234 3.300 20 30 FGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2C[C@H]2c2ccc(Br)cc2)c1[O-] ZINC000797784155 723861087 /nfs/dbraw/zinc/86/10/87/723861087.db2.gz RSEAFOFHXBNDSI-RCPPNLIZSA-N -1 3 361.239 3.325 20 30 FGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=CSc1cc(F)ccc1F ZINC000797942681 723888690 /nfs/dbraw/zinc/88/86/90/723888690.db2.gz VYLSPZHTBCMGNV-WMADIVHISA-N -1 3 359.357 3.313 20 30 FGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=CSc1cc(F)ccc1F ZINC000797942682 723888832 /nfs/dbraw/zinc/88/88/32/723888832.db2.gz VYLSPZHTBCMGNV-XYLWRLHESA-N -1 3 359.357 3.313 20 30 FGEDHM N#Cc1ccc(NC(=O)COC(=O)c2cccc(Cl)c2[O-])cc1Cl ZINC000775928369 724084335 /nfs/dbraw/zinc/08/43/35/724084335.db2.gz CIGQYGALYRIPGE-UHFFFAOYSA-N -1 3 365.172 3.366 20 30 FGEDHM C=CCSc1ccccc1C(=O)OCC(=O)[N-]C(=O)c1cccs1 ZINC000777076314 724214010 /nfs/dbraw/zinc/21/40/10/724214010.db2.gz PFIDZPIPIGYHTJ-UHFFFAOYSA-N -1 3 361.444 3.140 20 30 FGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cc(Cl)cc(C)c1O ZINC000807965875 725177351 /nfs/dbraw/zinc/17/73/51/725177351.db2.gz BIHOPSYQOMKTHD-UHFFFAOYSA-N -1 3 352.843 3.198 20 30 FGEDHM N#Cc1ccc(CNC(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)cc1 ZINC000811394294 725361393 /nfs/dbraw/zinc/36/13/93/725361393.db2.gz PJCDHTYDNCFSAJ-UHFFFAOYSA-N -1 3 373.821 3.228 20 30 FGEDHM Cc1cc([N-]S(=O)(=O)/C=C\c2ccccc2F)c(C#N)cc1N(C)C ZINC000811833041 725382264 /nfs/dbraw/zinc/38/22/64/725382264.db2.gz JPIAZTPRNKFFPY-HJWRWDBZSA-N -1 3 359.426 3.484 20 30 FGEDHM COc1cccc(S(C)(=O)=O)c1N=NCc1cc(Cl)c(F)cc1[O-] ZINC000814905800 727009957 /nfs/dbraw/zinc/00/99/57/727009957.db2.gz SRNOBYJOCYFTPU-UHFFFAOYSA-N -1 3 372.805 3.043 20 30 FGEDHM C=CCC(F)(F)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000815834876 727100962 /nfs/dbraw/zinc/10/09/62/727100962.db2.gz DGMGKLMYNMOTQP-AWEZNQCLSA-N -1 3 358.816 3.338 20 30 FGEDHM Cc1cc(C#N)cnc1C([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000815908854 727106526 /nfs/dbraw/zinc/10/65/26/727106526.db2.gz 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Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)s1 ZINC000317223799 498793024 /nfs/dbraw/zinc/79/30/24/498793024.db2.gz BZSMKGICQGEJBF-JTQLQIEISA-N -1 3 354.884 3.491 20 30 FGEDHM N#CC[C@@H]1CC[C@H](NC(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000298502734 498793349 /nfs/dbraw/zinc/79/33/49/498793349.db2.gz RLVQRXWTTRWPHL-JQWIXIFHSA-N -1 3 352.232 3.036 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCSC12CCCCC2 ZINC000573039019 506103707 /nfs/dbraw/zinc/10/37/07/506103707.db2.gz BOJYZAPXIQSZAF-UHFFFAOYSA-N -1 3 359.495 3.444 20 30 FGEDHM O=S(=O)([N-]c1c(F)c(F)cc(F)c1F)c1cccnc1C(F)(F)F ZINC000573132202 506126062 /nfs/dbraw/zinc/12/60/62/506126062.db2.gz MRSPFVLXFULAJQ-UHFFFAOYSA-N -1 3 374.237 3.458 20 30 FGEDHM Cc1ccc(C(=O)C(C(=S)[N-]C2(C)CC2)[n+]2cc([O-])ccc2C)s1 ZINC000283908764 499011288 /nfs/dbraw/zinc/01/12/88/499011288.db2.gz DMYYZPYOAXRFSK-UHFFFAOYSA-O -1 3 361.512 3.439 20 30 FGEDHM Cc1cc(C(=O)C(C(=S)[N-]C2(C)CC2)[n+]2cccc([O-])c2)ccc1F ZINC000284410428 499103501 /nfs/dbraw/zinc/10/35/01/499103501.db2.gz NOARUNZKHLJDMO-UHFFFAOYSA-O -1 3 359.446 3.208 20 30 FGEDHM COc1cc(Cl)cc(CN2CCO[C@H](c3cccc(C#N)c3)C2)c1[O-] ZINC000371852278 499371714 /nfs/dbraw/zinc/37/17/14/499371714.db2.gz LBOZCVGRLLXJCP-SFHVURJKSA-N -1 3 358.825 3.499 20 30 FGEDHM CC(=O)c1cc(F)cc(CN2CCO[C@@H](c3cccc(C#N)c3)C2)c1[O-] ZINC000372343284 499423062 /nfs/dbraw/zinc/42/30/62/499423062.db2.gz CAEHUSYZONBHHN-LJQANCHMSA-N -1 3 354.381 3.179 20 30 FGEDHM CC[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)CC(F)(F)F ZINC000402421870 499569478 /nfs/dbraw/zinc/56/94/78/499569478.db2.gz CJGPSJZEJCOQTN-SECBINFHSA-N -1 3 354.781 3.469 20 30 FGEDHM CCOc1nc(C(F)(F)F)ccc1C(=O)[N-]c1snc(C)c1C#N ZINC000410809039 499680409 /nfs/dbraw/zinc/68/04/09/499680409.db2.gz FKOOBAAKCDGEGS-UHFFFAOYSA-N -1 3 356.329 3.388 20 30 FGEDHM Cc1cc(S(=O)(=O)[N-]CC(F)(F)C(F)F)ccc1C(F)(F)F ZINC000576471658 506166288 /nfs/dbraw/zinc/16/62/88/506166288.db2.gz ZCNCKVIBXKBPAV-UHFFFAOYSA-N -1 3 353.259 3.193 20 30 FGEDHM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1 ZINC000421158894 499976427 /nfs/dbraw/zinc/97/64/27/499976427.db2.gz SNTOOYDNSTUWKE-MRXNPFEDSA-N -1 3 354.472 3.148 20 30 FGEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000425190777 500040091 /nfs/dbraw/zinc/04/00/91/500040091.db2.gz SZFAACGUPALRJX-WCBMZHEXSA-N -1 3 363.664 3.073 20 30 FGEDHM COc1ccc(S(=O)(=O)[N-][C@H]2CCCc3cc(C#N)ccc32)c(F)c1 ZINC000416661993 500079862 /nfs/dbraw/zinc/07/98/62/500079862.db2.gz NQCMYQPYCXOGFS-KRWDZBQOSA-N -1 3 360.410 3.062 20 30 FGEDHM C=C[C@@H](CCC(=O)[O-])NCc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000417625411 500128051 /nfs/dbraw/zinc/12/80/51/500128051.db2.gz MAPANWZRMDWJKO-JKSUJKDBSA-N -1 3 353.846 3.407 20 30 FGEDHM C=CCN1CCC(N=c2[n-]c(C(F)(F)F)c(Br)s2)CC1 ZINC000418861327 500327107 /nfs/dbraw/zinc/32/71/07/500327107.db2.gz GPACCELBEANYPX-UHFFFAOYSA-N -1 3 370.238 3.409 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2c3c(ccc2Cl)OCC3)cc1F ZINC000427780276 500431300 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N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1CCCOc2ccccc21 ZINC000443032612 500666962 /nfs/dbraw/zinc/66/69/62/500666962.db2.gz KLVSQFWQFSWMEI-HNNXBMFYSA-N -1 3 362.838 3.404 20 30 FGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccccc1OC(F)(F)F ZINC000443095773 500678831 /nfs/dbraw/zinc/67/88/31/500678831.db2.gz GWQAYNUOZHGIMW-UHFFFAOYSA-N -1 3 374.315 3.074 20 30 FGEDHM COc1cc(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)ccc1C ZINC000443231489 500699496 /nfs/dbraw/zinc/69/94/96/500699496.db2.gz NLEBERUEBNISAI-UHFFFAOYSA-N -1 3 364.854 3.050 20 30 FGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC1(c2cccc(F)c2)CC1 ZINC000443254436 500701362 /nfs/dbraw/zinc/70/13/62/500701362.db2.gz IIKGWORBIIAFRN-UHFFFAOYSA-N -1 3 364.829 3.361 20 30 FGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000443498518 500730740 /nfs/dbraw/zinc/73/07/40/500730740.db2.gz MAZKHZYMCNZUPQ-MORSLUCNSA-N -1 3 358.850 3.218 20 30 FGEDHM C=CCC1(C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)CCCCC1 ZINC000448709465 500811244 /nfs/dbraw/zinc/81/12/44/500811244.db2.gz PLKKMBCBYPNFSH-LJQANCHMSA-N -1 3 355.438 3.206 20 30 FGEDHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3ccc(C#N)s3)o2)cs1 ZINC000435427956 500973067 /nfs/dbraw/zinc/97/30/67/500973067.db2.gz PRLKGUMKYHGZMX-UHFFFAOYSA-N -1 3 365.461 3.123 20 30 FGEDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccsc1 ZINC000435444027 500978942 /nfs/dbraw/zinc/97/89/42/500978942.db2.gz UPQBIIXPOVWRHW-AWEZNQCLSA-N -1 3 369.537 3.043 20 30 FGEDHM CCOc1cc(-c2noc(COc3ccc(C#N)cc3OC)n2)ccc1[O-] ZINC000445427431 500984045 /nfs/dbraw/zinc/98/40/45/500984045.db2.gz PBVSPPXCYRDMLF-UHFFFAOYSA-N -1 3 367.361 3.300 20 30 FGEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000435590257 500997030 /nfs/dbraw/zinc/99/70/30/500997030.db2.gz VOZVBIGXWXKUAS-QMTHXVAHSA-N -1 3 367.364 3.104 20 30 FGEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000435600363 501000089 /nfs/dbraw/zinc/00/00/89/501000089.db2.gz BAIGHHGTFYPKBD-ZWNOBZJWSA-N -1 3 350.267 3.253 20 30 FGEDHM CC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c1 ZINC000435717885 501016961 /nfs/dbraw/zinc/01/69/61/501016961.db2.gz SXOZKBBTYUXSKM-UHFFFAOYSA-N -1 3 363.826 3.279 20 30 FGEDHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000445700154 501020962 /nfs/dbraw/zinc/02/09/62/501020962.db2.gz RWBLSHSLWRMFGY-LLVKDONJSA-N -1 3 354.781 3.467 20 30 FGEDHM COc1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)c([O-])c1 ZINC000436620096 501171294 /nfs/dbraw/zinc/17/12/94/501171294.db2.gz ZMQJUSPDLMTHCI-CQSZACIVSA-N -1 3 350.296 3.414 20 30 FGEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485129098 501729692 /nfs/dbraw/zinc/72/96/92/501729692.db2.gz PVNXOOLLCKWPSC-GFCCVEGCSA-N -1 3 373.372 3.496 20 30 FGEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000485129098 501729701 /nfs/dbraw/zinc/72/97/01/501729701.db2.gz PVNXOOLLCKWPSC-GFCCVEGCSA-N -1 3 373.372 3.496 20 30 FGEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485129098 501729707 /nfs/dbraw/zinc/72/97/07/501729707.db2.gz PVNXOOLLCKWPSC-GFCCVEGCSA-N -1 3 373.372 3.496 20 30 FGEDHM Cc1cc(C(C#N)=C([O-])c2ccc3c(c2)nc(C(F)F)n3C)nc(C)n1 ZINC000467196738 501734981 /nfs/dbraw/zinc/73/49/81/501734981.db2.gz QKKVRBXUMIIGCE-LBPRGKRZSA-N -1 3 355.348 3.408 20 30 FGEDHM C[C@@]([N-]C(=O)CCOCC(F)(F)C(F)(F)F)(C1CC1)C(F)(F)F ZINC000485641382 501885430 /nfs/dbraw/zinc/88/54/30/501885430.db2.gz GYNYXBPJNRHNFG-SECBINFHSA-N -1 3 357.241 3.438 20 30 FGEDHM COCCOCc1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000464202396 501921091 /nfs/dbraw/zinc/92/10/91/501921091.db2.gz AJSQAEBTNWIYDD-KRWDZBQOSA-N -1 3 361.401 3.283 20 30 FGEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000478318758 501941200 /nfs/dbraw/zinc/94/12/00/501941200.db2.gz YKGYZKDQJDVOEY-SNVBAGLBSA-N -1 3 369.331 3.028 20 30 FGEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000478318758 501941203 /nfs/dbraw/zinc/94/12/03/501941203.db2.gz YKGYZKDQJDVOEY-SNVBAGLBSA-N -1 3 369.331 3.028 20 30 FGEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000478318758 501941205 /nfs/dbraw/zinc/94/12/05/501941205.db2.gz YKGYZKDQJDVOEY-SNVBAGLBSA-N -1 3 369.331 3.028 20 30 FGEDHM N#CC(=C([O-])c1ccc(-n2ccnn2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464461702 501997263 /nfs/dbraw/zinc/99/72/63/501997263.db2.gz MXGHBZMVBCZFKL-CQSZACIVSA-N -1 3 357.295 3.171 20 30 FGEDHM C=C[C@@H](C)NC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000465121635 502196775 /nfs/dbraw/zinc/19/67/75/502196775.db2.gz SLNIKNUMEBKIMS-GFCCVEGCSA-N -1 3 356.513 3.054 20 30 FGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCOc2ccc(Cl)cc2)c1 ZINC000475548092 502209573 /nfs/dbraw/zinc/20/95/73/502209573.db2.gz LUCRMQIDQQHPSN-UHFFFAOYSA-N -1 3 371.245 3.222 20 30 FGEDHM C[C@H](C(=O)N=c1cc(-c2cccc([N+](=O)[O-])c2)[n-][nH]1)c1cccc(C#N)c1 ZINC000462011636 502273256 /nfs/dbraw/zinc/27/32/56/502273256.db2.gz ARJGKSHMEXWJNR-LBPRGKRZSA-N -1 3 361.361 3.021 20 30 FGEDHM C[C@@H](C(=O)N=c1cc2ccc(Br)cn2[n-]1)c1cccc(C#N)c1 ZINC000462315139 502389694 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C=CCCCS(=O)(=O)[N-][C@@](CC)(C(=O)OC)c1ccc(Cl)cc1 ZINC000489878849 503055027 /nfs/dbraw/zinc/05/50/27/503055027.db2.gz CGBSRLOGLAWCFP-MRXNPFEDSA-N -1 3 359.875 3.004 20 30 FGEDHM N#Cc1ccc(N2CCC[C@H](NCc3c(F)ccc([O-])c3F)C2)c(F)c1 ZINC000510721095 503178643 /nfs/dbraw/zinc/17/86/43/503178643.db2.gz UNJWHQABCIDRCJ-ZDUSSCGKSA-N -1 3 361.367 3.440 20 30 FGEDHM C[C@@H](Cc1ccccc1F)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503452612 503413196 /nfs/dbraw/zinc/41/31/96/503413196.db2.gz DAWOQTLCUHGYAT-NSHDSACASA-N -1 3 352.818 3.260 20 30 FGEDHM COC(=O)c1c(F)cc([N-]C(=O)c2c(F)cc(C#N)cc2F)cc1F ZINC000512554232 503583274 /nfs/dbraw/zinc/58/32/74/503583274.db2.gz DOCRTMOJJKHWCQ-UHFFFAOYSA-N -1 3 352.243 3.154 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)c(F)c1 ZINC000530483192 503982033 /nfs/dbraw/zinc/98/20/33/503982033.db2.gz XDMJVRVYNMYFFF-GDBMZVCRSA-N -1 3 362.401 3.451 20 30 FGEDHM Cc1nc(C)c(S(=O)(=O)[N-]CC#Cc2ccc(C(F)(F)F)cc2)s1 ZINC000530974570 504147869 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N#Cc1cc(NC(=O)c2ccc(SC(F)F)cc2)ccc1-c1nn[n-]n1 ZINC000737710731 598917759 /nfs/dbraw/zinc/91/77/59/598917759.db2.gz ZYBBHRFEJGODAN-UHFFFAOYSA-N -1 3 372.360 3.305 20 30 FGEDHM N#Cc1ccc(NC(=O)C=Cc2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000737716187 598920426 /nfs/dbraw/zinc/92/04/26/598920426.db2.gz MASIYTIUASXDGZ-VURMDHGXSA-N -1 3 350.769 3.044 20 30 FGEDHM N#Cc1ccc(NC(=O)C=Cc2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000737716187 598920427 /nfs/dbraw/zinc/92/04/27/598920427.db2.gz MASIYTIUASXDGZ-VURMDHGXSA-N -1 3 350.769 3.044 20 30 FGEDHM COc1cccc2cc(C(C)=NNCc3ccc(-c4nnn[n-]4)cc3)oc21 ZINC000821877098 607253940 /nfs/dbraw/zinc/25/39/40/607253940.db2.gz ATJXRSFJAIMWLF-UHFFFAOYSA-N -1 3 362.393 3.135 20 30 FGEDHM COc1cccc2cc(C(C)=NNCc3ccc(-c4nn[n-]n4)cc3)oc21 ZINC000821877098 607253941 /nfs/dbraw/zinc/25/39/41/607253941.db2.gz ATJXRSFJAIMWLF-UHFFFAOYSA-N -1 3 362.393 3.135 20 30 FGEDHM C=C(Cl)COC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735402254 598963266 /nfs/dbraw/zinc/96/32/66/598963266.db2.gz OBLPPWCHEGAOMN-UHFFFAOYSA-N -1 3 370.796 3.355 20 30 FGEDHM C=C(Cl)COC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735402254 598963268 /nfs/dbraw/zinc/96/32/68/598963268.db2.gz OBLPPWCHEGAOMN-UHFFFAOYSA-N -1 3 370.796 3.355 20 30 FGEDHM C=C(C)COC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735402001 598963717 /nfs/dbraw/zinc/96/37/17/598963717.db2.gz DBKNHXSZOHMLFU-UHFFFAOYSA-N -1 3 350.378 3.179 20 30 FGEDHM C=C(C)COC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735402001 598963719 /nfs/dbraw/zinc/96/37/19/598963719.db2.gz DBKNHXSZOHMLFU-UHFFFAOYSA-N -1 3 350.378 3.179 20 30 FGEDHM Cc1c(NCc2ccc(C#N)cc2OC(F)F)cccc1-c1nnn[n-]1 ZINC000822123251 607256926 /nfs/dbraw/zinc/25/69/26/607256926.db2.gz XLRCWGWTESOIOM-UHFFFAOYSA-N -1 3 356.336 3.260 20 30 FGEDHM Cc1c(NCc2ccc(C#N)cc2OC(F)F)cccc1-c1nn[n-]n1 ZINC000822123251 607256927 /nfs/dbraw/zinc/25/69/27/607256927.db2.gz XLRCWGWTESOIOM-UHFFFAOYSA-N -1 3 356.336 3.260 20 30 FGEDHM COc1cc(C=NNc2cccc(-c3nnn[n-]3)c2)c(SC)cc1OC ZINC000737044896 599033560 /nfs/dbraw/zinc/03/35/60/599033560.db2.gz VKAJXMQQNODNRM-UHFFFAOYSA-N -1 3 370.438 3.052 20 30 FGEDHM COc1cc(C=NNc2cccc(-c3nn[n-]n3)c2)c(SC)cc1OC ZINC000737044896 599033561 /nfs/dbraw/zinc/03/35/61/599033561.db2.gz VKAJXMQQNODNRM-UHFFFAOYSA-N -1 3 370.438 3.052 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC[C@H](C)C(C)(C)C ZINC000735420689 599147367 /nfs/dbraw/zinc/14/73/67/599147367.db2.gz QAZDFWYNJKOTAG-AWEZNQCLSA-N -1 3 356.474 3.247 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@H](C)C(C)(C)C ZINC000735420689 599147368 /nfs/dbraw/zinc/14/73/68/599147368.db2.gz QAZDFWYNJKOTAG-AWEZNQCLSA-N -1 3 356.474 3.247 20 30 FGEDHM C[C@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000735978450 599193803 /nfs/dbraw/zinc/19/38/03/599193803.db2.gz WPEYKFOYXQHOAE-LLVKDONJSA-N -1 3 350.357 3.010 20 30 FGEDHM C[C@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000735978450 599193806 /nfs/dbraw/zinc/19/38/06/599193806.db2.gz WPEYKFOYXQHOAE-LLVKDONJSA-N -1 3 350.357 3.010 20 30 FGEDHM Cc1cn(Cc2ccc(Cn3cc(C)c(-c4nnn[n-]4)c3)cc2)cc1C#N ZINC000822384059 607329708 /nfs/dbraw/zinc/32/97/08/607329708.db2.gz GKSGRZXZRJIVBU-UHFFFAOYSA-N -1 3 357.421 3.055 20 30 FGEDHM Cc1cn(Cc2ccc(Cn3cc(C)c(-c4nn[n-]n4)c3)cc2)cc1C#N ZINC000822384059 607329709 /nfs/dbraw/zinc/32/97/09/607329709.db2.gz GKSGRZXZRJIVBU-UHFFFAOYSA-N -1 3 357.421 3.055 20 30 FGEDHM N#Cc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000737711842 598314719 /nfs/dbraw/zinc/31/47/19/598314719.db2.gz LTHOMQGSDOQOCP-UHFFFAOYSA-N -1 3 357.299 3.203 20 30 FGEDHM N#Cc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000737711842 598314721 /nfs/dbraw/zinc/31/47/21/598314721.db2.gz LTHOMQGSDOQOCP-UHFFFAOYSA-N -1 3 357.299 3.203 20 30 FGEDHM C=C(C)CN(CC)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735399990 598325214 /nfs/dbraw/zinc/32/52/14/598325214.db2.gz ZKXPJVPKXOWQIS-UHFFFAOYSA-N -1 3 367.409 3.077 20 30 FGEDHM C=C(C)CN(CC)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735399990 598325216 /nfs/dbraw/zinc/32/52/16/598325216.db2.gz ZKXPJVPKXOWQIS-UHFFFAOYSA-N -1 3 367.409 3.077 20 30 FGEDHM N#C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1c(Cl)cccc1Cl ZINC000737676703 598383491 /nfs/dbraw/zinc/38/34/91/598383491.db2.gz XHGOALAQLZKWBM-CYBMUJFWSA-N -1 3 373.203 3.168 20 30 FGEDHM N#C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1c(Cl)cccc1Cl ZINC000737676703 598383493 /nfs/dbraw/zinc/38/34/93/598383493.db2.gz XHGOALAQLZKWBM-CYBMUJFWSA-N -1 3 373.203 3.168 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(C)c(O)c(C)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737261068 598639773 /nfs/dbraw/zinc/63/97/73/598639773.db2.gz AHWGIDWXRHUXBU-VOTSOKGWSA-N -1 3 363.421 3.141 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(C)c(O)c(C)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737261068 598639775 /nfs/dbraw/zinc/63/97/75/598639775.db2.gz AHWGIDWXRHUXBU-VOTSOKGWSA-N -1 3 363.421 3.141 20 30 FGEDHM Cc1ccc([N+](=O)[O-])cc1NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000822271182 599340016 /nfs/dbraw/zinc/34/00/16/599340016.db2.gz PNQNNUWKCYEEJB-UHFFFAOYSA-N -1 3 363.381 3.236 20 30 FGEDHM C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820461482 599355178 /nfs/dbraw/zinc/35/51/78/599355178.db2.gz KVEVEMPXRRFLFL-VIFPVBQESA-N -1 3 359.315 3.325 20 30 FGEDHM C[C@H](Nc1nc(C(F)(F)F)ccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820461482 599355179 /nfs/dbraw/zinc/35/51/79/599355179.db2.gz KVEVEMPXRRFLFL-VIFPVBQESA-N -1 3 359.315 3.325 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc2c(c1)CCCC2 ZINC000737806553 599462042 /nfs/dbraw/zinc/46/20/42/599462042.db2.gz MJMHUBNCPHAXAL-CMDGGOBGSA-N -1 3 370.416 3.289 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc2c(c1)CCCC2 ZINC000737806553 599462045 /nfs/dbraw/zinc/46/20/45/599462045.db2.gz MJMHUBNCPHAXAL-CMDGGOBGSA-N -1 3 370.416 3.289 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(F)c(Cl)c1 ZINC000737805080 599464087 /nfs/dbraw/zinc/46/40/87/599464087.db2.gz GDZLOWHGEJJHBK-HWKANZROSA-N -1 3 368.759 3.203 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(F)c(Cl)c1 ZINC000737805080 599464089 /nfs/dbraw/zinc/46/40/89/599464089.db2.gz GDZLOWHGEJJHBK-HWKANZROSA-N -1 3 368.759 3.203 20 30 FGEDHM C=C(Cl)CNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735402361 599568915 /nfs/dbraw/zinc/56/89/15/599568915.db2.gz SFQCXWFYOLDGPC-UHFFFAOYSA-N -1 3 354.801 3.093 20 30 FGEDHM N#Cc1cccc(OC2CCN([C@H](C(=O)[O-])c3ccc(F)cc3)CC2)c1 ZINC000739133810 599794888 /nfs/dbraw/zinc/79/48/88/599794888.db2.gz PPJVBMZRMOWPAO-IBGZPJMESA-N -1 3 354.381 3.366 20 30 FGEDHM N#CCC[C@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826381409 607394671 /nfs/dbraw/zinc/39/46/71/607394671.db2.gz KONGPTZNUIUDCP-INIZCTEOSA-N -1 3 365.372 3.172 20 30 FGEDHM N#CCC[C@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826381409 607394673 /nfs/dbraw/zinc/39/46/73/607394673.db2.gz KONGPTZNUIUDCP-INIZCTEOSA-N -1 3 365.372 3.172 20 30 FGEDHM N#CCC[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000826381442 607429419 /nfs/dbraw/zinc/42/94/19/607429419.db2.gz LXYNKHFQGVPZLG-SQVRQVGWSA-N -1 3 358.405 3.041 20 30 FGEDHM N#CCC[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000826381442 607429421 /nfs/dbraw/zinc/42/94/21/607429421.db2.gz LXYNKHFQGVPZLG-SQVRQVGWSA-N -1 3 358.405 3.041 20 30 FGEDHM CCN(CC)c1ccc(/C=[NH+]\Cc2cccc(OCC(=O)[O-])c2)c([O-])c1 ZINC000737089485 600567072 /nfs/dbraw/zinc/56/70/72/600567072.db2.gz XFJISSBWWNCJCM-BKUYFWCQSA-N -1 3 356.422 3.321 20 30 FGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)CCO2 ZINC000822275818 607456340 /nfs/dbraw/zinc/45/63/40/607456340.db2.gz YEIHOCCZFFLJOV-LCYFTJDESA-N -1 3 350.353 3.363 20 30 FGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)CCO2 ZINC000822275818 607456342 /nfs/dbraw/zinc/45/63/42/607456342.db2.gz YEIHOCCZFFLJOV-LCYFTJDESA-N -1 3 350.353 3.363 20 30 FGEDHM CC(C)(C)n1ncc2c1CCC[C@@H]2N[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000826529713 601306493 /nfs/dbraw/zinc/30/64/93/601306493.db2.gz XNFNINUUZUGDCX-FUHWJXTLSA-N -1 3 352.438 3.303 20 30 FGEDHM C[C@@H]1CC(=Cc2cnc3ccc(-c4nnn[n-]4)cn23)C(=O)c2ccccc21 ZINC000824857651 607680788 /nfs/dbraw/zinc/68/07/88/607680788.db2.gz DPWHAPVULCADHI-ZMTLZGASSA-N -1 3 356.389 3.288 20 30 FGEDHM C[C@@H]1CC(=Cc2cnc3ccc(-c4nn[n-]n4)cn23)C(=O)c2ccccc21 ZINC000824857651 607680790 /nfs/dbraw/zinc/68/07/90/607680790.db2.gz DPWHAPVULCADHI-ZMTLZGASSA-N -1 3 356.389 3.288 20 30 FGEDHM Cc1cc(N[C@@H]2CCC[C@H]2C#N)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822209664 606241837 /nfs/dbraw/zinc/24/18/37/606241837.db2.gz QYUGNLMKVMXZES-QWHCGFSZSA-N -1 3 358.409 3.080 20 30 FGEDHM Cc1cc(N[C@@H]2CCC[C@H]2C#N)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822209664 606241838 /nfs/dbraw/zinc/24/18/38/606241838.db2.gz QYUGNLMKVMXZES-QWHCGFSZSA-N -1 3 358.409 3.080 20 30 FGEDHM N#Cc1ccc(NC(=O)CSc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000822830236 606328239 /nfs/dbraw/zinc/32/82/39/606328239.db2.gz YHMJPFZLCXMHOT-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1ccc(NC(=O)CSc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000822830236 606328241 /nfs/dbraw/zinc/32/82/41/606328241.db2.gz YHMJPFZLCXMHOT-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM C=CCOc1ccccc1C(=O)O[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819758667 606347021 /nfs/dbraw/zinc/34/70/21/606347021.db2.gz DYMWXMFNSQTCNG-CYBMUJFWSA-N -1 3 350.378 3.350 20 30 FGEDHM C=CCOc1ccccc1C(=O)O[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819758667 606347023 /nfs/dbraw/zinc/34/70/23/606347023.db2.gz DYMWXMFNSQTCNG-CYBMUJFWSA-N -1 3 350.378 3.350 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822801763 606437876 /nfs/dbraw/zinc/43/78/76/606437876.db2.gz OCUDGVGCFJHFPL-QZTJIDSGSA-N -1 3 373.420 3.170 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822801763 606437878 /nfs/dbraw/zinc/43/78/78/606437878.db2.gz OCUDGVGCFJHFPL-QZTJIDSGSA-N -1 3 373.420 3.170 20 30 FGEDHM C[C@H]1CCc2c(sc(NC(=O)c3cc(C#N)cs3)c2-c2nnn[n-]2)C1 ZINC000820733056 606477979 /nfs/dbraw/zinc/47/79/79/606477979.db2.gz CIWHACNRKJEAHH-QMMMGPOBSA-N -1 3 370.463 3.238 20 30 FGEDHM C[C@H]1CCc2c(sc(NC(=O)c3cc(C#N)cs3)c2-c2nn[n-]n2)C1 ZINC000820733056 606477981 /nfs/dbraw/zinc/47/79/81/606477981.db2.gz CIWHACNRKJEAHH-QMMMGPOBSA-N -1 3 370.463 3.238 20 30 FGEDHM N#Cc1ccc(SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)nc1 ZINC000822833368 606589612 /nfs/dbraw/zinc/58/96/12/606589612.db2.gz OUBVKEKKTVLXKA-UHFFFAOYSA-N -1 3 360.349 3.027 20 30 FGEDHM N#Cc1ccc(SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)nc1 ZINC000822833368 606589613 /nfs/dbraw/zinc/58/96/13/606589613.db2.gz OUBVKEKKTVLXKA-UHFFFAOYSA-N -1 3 360.349 3.027 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@H]1CC ZINC000819743199 606837634 /nfs/dbraw/zinc/83/76/34/606837634.db2.gz FMGPMNUMZIPQQD-NVXWUHKLSA-N -1 3 354.458 3.143 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@H]1CC ZINC000819743199 606837636 /nfs/dbraw/zinc/83/76/36/606837636.db2.gz FMGPMNUMZIPQQD-NVXWUHKLSA-N -1 3 354.458 3.143 20 30 FGEDHM Cc1cc(C)c(C#N)c(SCCCOc2cccc(-c3nnn[n-]3)c2)n1 ZINC000822192956 606865742 /nfs/dbraw/zinc/86/57/42/606865742.db2.gz GSSQWOHJYREXOJ-UHFFFAOYSA-N -1 3 366.450 3.311 20 30 FGEDHM Cc1cc(C)c(C#N)c(SCCCOc2cccc(-c3nn[n-]n3)c2)n1 ZINC000822192956 606865744 /nfs/dbraw/zinc/86/57/44/606865744.db2.gz GSSQWOHJYREXOJ-UHFFFAOYSA-N -1 3 366.450 3.311 20 30 FGEDHM CCCNc1ccc(C#N)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821128641 607041509 /nfs/dbraw/zinc/04/15/09/607041509.db2.gz YMTCXIBUMCRSPA-CSKARUKUSA-N -1 3 373.420 3.212 20 30 FGEDHM CCCNc1ccc(C#N)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821128641 607041511 /nfs/dbraw/zinc/04/15/11/607041511.db2.gz YMTCXIBUMCRSPA-CSKARUKUSA-N -1 3 373.420 3.212 20 30 FGEDHM N#Cc1cc(Cl)c(C(=O)Nc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826383781 607832684 /nfs/dbraw/zinc/83/26/84/607832684.db2.gz PVOFMHVPMHYCMZ-UHFFFAOYSA-N -1 3 359.176 3.297 20 30 FGEDHM N#Cc1cc(Cl)c(C(=O)Nc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826383781 607832685 /nfs/dbraw/zinc/83/26/85/607832685.db2.gz PVOFMHVPMHYCMZ-UHFFFAOYSA-N -1 3 359.176 3.297 20 30 FGEDHM N#Cc1ccc(SC[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826386012 607842970 /nfs/dbraw/zinc/84/29/70/607842970.db2.gz LHFHSYLRYZEJMQ-CQSZACIVSA-N -1 3 357.826 3.217 20 30 FGEDHM N#Cc1ccc(SC[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826386012 607842971 /nfs/dbraw/zinc/84/29/71/607842971.db2.gz LHFHSYLRYZEJMQ-CQSZACIVSA-N -1 3 357.826 3.217 20 30 FGEDHM FC(F)(F)COc1ccc(NN=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826367901 607888651 /nfs/dbraw/zinc/88/86/51/607888651.db2.gz SRIGLFGQESBSDF-UHFFFAOYSA-N -1 3 362.315 3.254 20 30 FGEDHM FC(F)(F)COc1ccc(NN=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826367901 607888652 /nfs/dbraw/zinc/88/86/52/607888652.db2.gz SRIGLFGQESBSDF-UHFFFAOYSA-N -1 3 362.315 3.254 20 30 FGEDHM CCCn1c2ccc(C#N)cc2nc1-c1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825352780 607974959 /nfs/dbraw/zinc/97/49/59/607974959.db2.gz QKLBWDHQJISMOO-UHFFFAOYSA-N -1 3 359.393 3.174 20 30 FGEDHM CCCn1c2ccc(C#N)cc2nc1-c1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825352780 607974960 /nfs/dbraw/zinc/97/49/60/607974960.db2.gz QKLBWDHQJISMOO-UHFFFAOYSA-N -1 3 359.393 3.174 20 30 FGEDHM CCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC000825631504 608230243 /nfs/dbraw/zinc/23/02/43/608230243.db2.gz BTWOVUFEOLPKJG-XQRVVYSFSA-N -1 3 371.378 3.131 20 30 FGEDHM N#CC1(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CCCC1 ZINC000826379844 608328034 /nfs/dbraw/zinc/32/80/34/608328034.db2.gz DXEWPTOUJHAHMC-UHFFFAOYSA-N -1 3 372.432 3.234 20 30 FGEDHM N#CC1(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CCCC1 ZINC000826379844 608328035 /nfs/dbraw/zinc/32/80/35/608328035.db2.gz DXEWPTOUJHAHMC-UHFFFAOYSA-N -1 3 372.432 3.234 20 30 FGEDHM C=CCN(Cc1ccccc1F)Cc1ccc(-c2nnn[n-]2)cc1OC ZINC000823919794 608355312 /nfs/dbraw/zinc/35/53/12/608355312.db2.gz REIGBRTWQQIBIN-UHFFFAOYSA-N -1 3 353.401 3.203 20 30 FGEDHM C=CCN(Cc1ccccc1F)Cc1ccc(-c2nn[n-]n2)cc1OC ZINC000823919794 608355313 /nfs/dbraw/zinc/35/53/13/608355313.db2.gz REIGBRTWQQIBIN-UHFFFAOYSA-N -1 3 353.401 3.203 20 30 FGEDHM C=C[C@H](CC(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1 ZINC000823883715 608454492 /nfs/dbraw/zinc/45/44/92/608454492.db2.gz YVTUYRMRQLPGKK-CYBMUJFWSA-N -1 3 352.369 3.409 20 30 FGEDHM C=C[C@H](CC(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1 ZINC000823883715 608454493 /nfs/dbraw/zinc/45/44/93/608454493.db2.gz YVTUYRMRQLPGKK-CYBMUJFWSA-N -1 3 352.369 3.409 20 30 FGEDHM Cc1ccc([N+](=O)[O-])cc1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826293528 608880378 /nfs/dbraw/zinc/88/03/78/608880378.db2.gz SFHQMQAZFGOEID-DAXSKMNVSA-N -1 3 353.313 3.119 20 30 FGEDHM Cc1ccc([N+](=O)[O-])cc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826293528 608880380 /nfs/dbraw/zinc/88/03/80/608880380.db2.gz SFHQMQAZFGOEID-DAXSKMNVSA-N -1 3 353.313 3.119 20 30 FGEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000826278091 609157215 /nfs/dbraw/zinc/15/72/15/609157215.db2.gz QVZMHPREYBAVQN-GFCCVEGCSA-N -1 3 363.381 3.110 20 30 FGEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccccc1O[C@H](C)C#N ZINC000826278091 609157217 /nfs/dbraw/zinc/15/72/17/609157217.db2.gz QVZMHPREYBAVQN-GFCCVEGCSA-N -1 3 363.381 3.110 20 30 FGEDHM Cc1cc(C#N)ccc1OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826256962 609327898 /nfs/dbraw/zinc/32/78/98/609327898.db2.gz IGQPYSKFGBACAZ-UHFFFAOYSA-N -1 3 370.210 3.388 20 30 FGEDHM Cc1cc(C#N)ccc1OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826256962 609327900 /nfs/dbraw/zinc/32/79/00/609327900.db2.gz IGQPYSKFGBACAZ-UHFFFAOYSA-N -1 3 370.210 3.388 20 30 FGEDHM C=C(C)CN(C)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000823872650 609377637 /nfs/dbraw/zinc/37/76/37/609377637.db2.gz CIZYHGNULAKWKW-UHFFFAOYSA-N -1 3 365.397 3.094 20 30 FGEDHM C=C(C)CN(C)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000823872650 609377639 /nfs/dbraw/zinc/37/76/39/609377639.db2.gz CIZYHGNULAKWKW-UHFFFAOYSA-N -1 3 365.397 3.094 20 30 FGEDHM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826380380 609434171 /nfs/dbraw/zinc/43/41/71/609434171.db2.gz YFXCZGCMTYURSM-KRWDZBQOSA-N -1 3 369.388 3.103 20 30 FGEDHM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826380380 609434172 /nfs/dbraw/zinc/43/41/72/609434172.db2.gz YFXCZGCMTYURSM-KRWDZBQOSA-N -1 3 369.388 3.103 20 30 FGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826399608 609442636 /nfs/dbraw/zinc/44/26/36/609442636.db2.gz AHJSFLSNRYNTPR-DUXPYHPUSA-N -1 3 361.770 3.386 20 30 FGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826399608 609442638 /nfs/dbraw/zinc/44/26/38/609442638.db2.gz AHJSFLSNRYNTPR-DUXPYHPUSA-N -1 3 361.770 3.386 20 30 FGEDHM COC(=O)CN(Cc1cc(C#N)cs1)Cc1cc(Cl)ccc1[O-] ZINC000093277156 700449452 /nfs/dbraw/zinc/44/94/52/700449452.db2.gz KWUGXZHBINGINI-UHFFFAOYSA-N -1 3 350.827 3.154 20 30 FGEDHM CS(=O)(=O)c1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000255020845 713680562 /nfs/dbraw/zinc/68/05/62/713680562.db2.gz QVTNDLDQRRCZEA-UHFFFAOYSA-N -1 3 354.225 3.309 20 30 FGEDHM C#C[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(Cl)cc1F ZINC000804421447 724514858 /nfs/dbraw/zinc/51/48/58/724514858.db2.gz XSUYBDBQDHIMDR-AWEZNQCLSA-N -1 3 355.756 3.232 20 30 FGEDHM CC(=NNCCC(=O)OC(C)(C)C)c1cc(Br)ccc1[O-] ZINC000783862043 724797345 /nfs/dbraw/zinc/79/73/45/724797345.db2.gz CWXFWISTZXKYEL-UHFFFAOYSA-N -1 3 357.248 3.200 20 30 FGEDHM C=CCCOC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000740201062 722535296 /nfs/dbraw/zinc/53/52/96/722535296.db2.gz QCSUMJMYHDBMKI-UHFFFAOYSA-N -1 3 364.250 3.167 20 30 FGEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(F)c(Cl)c1 ZINC000743449463 722567564 /nfs/dbraw/zinc/56/75/64/722567564.db2.gz YCSINWFJQJALRL-UHFFFAOYSA-N -1 3 354.834 3.365 20 30 FGEDHM CC1(C)CCC[C@H](C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000752726173 722868436 /nfs/dbraw/zinc/86/84/36/722868436.db2.gz BZNODIRCJXZLFI-AWEZNQCLSA-N -1 3 353.444 3.216 20 30 FGEDHM COc1ccc(C=NNC(=S)NCCC(C)C)c(Br)c1[O-] ZINC000761014347 723113162 /nfs/dbraw/zinc/11/31/62/723113162.db2.gz DUSMTDCLRFLMQJ-UHFFFAOYSA-N -1 3 374.304 3.007 20 30 FGEDHM [O-]c1ccc(Br)cc1/C=N/CCn1cc(Br)cn1 ZINC000794676283 723540192 /nfs/dbraw/zinc/54/01/92/723540192.db2.gz LKRAYRRHSBJDFW-GIDUJCDVSA-N -1 3 373.048 3.233 20 30 FGEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1cc(C(=O)OCC)ccc1F ZINC000795565445 723598987 /nfs/dbraw/zinc/59/89/87/723598987.db2.gz WNVJJZAFWNRACT-UHFFFAOYSA-N -1 3 370.446 3.143 20 30 FGEDHM COc1cc(C=NNc2ncc(Cl)cc2Cl)c([N+](=O)[O-])cc1[O-] ZINC000767147186 723608564 /nfs/dbraw/zinc/60/85/64/723608564.db2.gz YTYGDJBOESORHB-UHFFFAOYSA-N -1 3 357.153 3.457 20 30 FGEDHM CC(C)C[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nc(C(C)C)no1 ZINC000795768275 723609319 /nfs/dbraw/zinc/60/93/19/723609319.db2.gz OOBLSZNFHLDAHF-ZDUSSCGKSA-N -1 3 362.455 3.019 20 30 FGEDHM CC(C)c1nccnc1N=NCc1cc(O)c([O-])c(Br)c1 ZINC000773089872 723776533 /nfs/dbraw/zinc/77/65/33/723776533.db2.gz CGRTVAFKLCVPFT-UHFFFAOYSA-N -1 3 351.204 3.220 20 30 FGEDHM O=C(COc1ccccc1)N1CC[C@@H](/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000800791021 724228254 /nfs/dbraw/zinc/22/82/54/724228254.db2.gz YQUXZAJQFZQRPK-BTZNOAQDSA-N -1 3 358.825 3.144 20 30 FGEDHM N#Cc1cc([N-]C(=O)c2cnc(C(F)(F)F)nc2)c(Cl)c([N+](=O)[O-])c1 ZINC000777746670 724254936 /nfs/dbraw/zinc/25/49/36/724254936.db2.gz NAOAEZRTSBOHAN-UHFFFAOYSA-N -1 3 371.662 3.181 20 30 FGEDHM CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc2sccc2c([O-])c1 ZINC000786139434 724962534 /nfs/dbraw/zinc/96/25/34/724962534.db2.gz HDFOCKGNSMDFFQ-ZMZPIMSZSA-N -1 3 360.435 3.207 20 30 FGEDHM C=CCCCCCCNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000805218932 725056805 /nfs/dbraw/zinc/05/68/05/725056805.db2.gz PSEMUDKULOPMAZ-UHFFFAOYSA-N -1 3 368.474 3.133 20 30 FGEDHM COc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cnc1Br ZINC000788350769 725059535 /nfs/dbraw/zinc/05/95/35/725059535.db2.gz ZZZHGMIIALSXJH-JTQLQIEISA-N -1 3 371.194 3.219 20 30 FGEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)c1ccccc1Br ZINC000811186130 725349572 /nfs/dbraw/zinc/34/95/72/725349572.db2.gz DFHXWXSXJBFHMH-JTQLQIEISA-N -1 3 374.190 3.455 20 30 FGEDHM Cc1cnc(Br)c([N-]S(=O)(=O)c2cccc(CC#N)c2)c1 ZINC000812323810 725393847 /nfs/dbraw/zinc/39/38/47/725393847.db2.gz JRDMLZOBUAZEEN-UHFFFAOYSA-N -1 3 366.240 3.019 20 30 FGEDHM O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N[C@H]1CCCN([O-])C1=O ZINC000820471340 728997588 /nfs/dbraw/zinc/99/75/88/728997588.db2.gz SYQKXOIHJSQDTJ-HQPKTYMTSA-N -1 3 360.410 3.064 20 30 FGEDHM O=[N+]([O-])c1cc(Cl)ccc1NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823635261 729294595 /nfs/dbraw/zinc/29/45/95/729294595.db2.gz UQOSGJFGUBFWEM-UHFFFAOYSA-N -1 3 361.724 3.013 20 30 FGEDHM C=CCO[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000837043430 729989093 /nfs/dbraw/zinc/98/90/93/729989093.db2.gz BVKWOZMVJMYEKY-GFCCVEGCSA-N -1 3 357.237 3.079 20 30 FGEDHM Cn1ccnc1[C@@H]1C[C@@H](/N=C\c2cc(Br)ccc2[O-])CCO1 ZINC000840709317 730164957 /nfs/dbraw/zinc/16/49/57/730164957.db2.gz ILAJBGKICCDKMG-UWNKVGMTSA-N -1 3 364.243 3.227 20 30 FGEDHM C[C@@]1(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@]1(F)Cl ZINC000845980904 730915135 /nfs/dbraw/zinc/91/51/35/730915135.db2.gz MSJCQPVXBCAFCU-CHWSQXEVSA-N -1 3 351.230 3.195 20 30 FGEDHM CS(=O)(=O)[C@@H]1CCCC(N=Nc2nc3ccccc3[n-]c2=S)C1 ZINC000863125249 732916988 /nfs/dbraw/zinc/91/69/88/732916988.db2.gz QSDDDOLYOGUNKP-LLVKDONJSA-N -1 3 350.469 3.047 20 30 FGEDHM C[C@@H](NCc1ccncc1OCC(F)(F)F)c1cccc(C#N)c1[O-] ZINC000866354369 733339155 /nfs/dbraw/zinc/33/91/55/733339155.db2.gz ZLPBORBPDQLYPA-LLVKDONJSA-N -1 3 351.328 3.451 20 30 FGEDHM C[C@@H](NC(=O)C1CCCC1)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379750 743264060 /nfs/dbraw/zinc/26/40/60/743264060.db2.gz DPKQGXMPJRAUDN-SNVBAGLBSA-N -1 3 359.253 3.406 20 30 FGEDHM CC(C)CN1C[C@H](C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CC1=O ZINC000901379890 743264075 /nfs/dbraw/zinc/26/40/75/743264075.db2.gz HOPFULVUIZHALZ-GFCCVEGCSA-N -1 3 359.253 3.216 20 30 FGEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N(CC#N)C2CCCC2)s1 ZINC000906757738 744158044 /nfs/dbraw/zinc/15/80/44/744158044.db2.gz XXTVGVOKJCMLKM-UHFFFAOYSA-N -1 3 350.444 3.398 20 30 FGEDHM O=C1CN(N=Cc2ccc(-c3cccc(Br)c3)s2)C(=O)[N-]1 ZINC000914599409 757808742 /nfs/dbraw/zinc/80/87/42/757808742.db2.gz GDMCFIPNIYADRX-UHFFFAOYSA-N -1 3 364.224 3.063 20 30 FGEDHM CCCCCCCCOC(=O)[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000918493087 758331051 /nfs/dbraw/zinc/33/10/51/758331051.db2.gz RUSSXXMEGIPIBX-CQSZACIVSA-N -1 3 366.483 3.017 20 30 FGEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cc(Br)ccc1F ZINC000920384056 758546688 /nfs/dbraw/zinc/54/66/88/758546688.db2.gz SYKIQGINHIBTGN-UHFFFAOYSA-N -1 3 371.231 3.042 20 30 FGEDHM COc1ccc(NCc2c(C)cc(C#N)cc2C)cc1[N-]S(C)(=O)=O ZINC000921869969 758813347 /nfs/dbraw/zinc/81/33/47/758813347.db2.gz IPRVPGHCXOWXIW-UHFFFAOYSA-N -1 3 359.451 3.167 20 30 FGEDHM CCC[C@H](C#N)[N-]C(=O)C(F)(F)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000931328699 760830227 /nfs/dbraw/zinc/83/02/27/760830227.db2.gz FVEFHUPSJDCYNC-CYBMUJFWSA-N -1 3 359.417 3.077 20 30 FGEDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@@H](C)Oc3ccccc3C#N)cc2)n1 ZINC000068225054 493781701 /nfs/dbraw/zinc/78/17/01/493781701.db2.gz JGXGUKSRINIRHL-CQSZACIVSA-N -1 3 374.400 3.023 20 30 FGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000030360110 493888030 /nfs/dbraw/zinc/88/80/30/493888030.db2.gz XBUSAULZHFOBPS-JTQLQIEISA-N -1 3 365.798 3.159 20 30 FGEDHM O=C(Cn1ncc2ccccc21)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000081731391 493947912 /nfs/dbraw/zinc/94/79/12/493947912.db2.gz OQPUDNCWKDRBOY-UHFFFAOYSA-N -1 3 354.320 3.388 20 30 FGEDHM O=C(Cn1ncc2ccccc21)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000081731391 493947915 /nfs/dbraw/zinc/94/79/15/493947915.db2.gz OQPUDNCWKDRBOY-UHFFFAOYSA-N -1 3 354.320 3.388 20 30 FGEDHM O=C(Cn1ncc2ccccc21)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000081731391 493947920 /nfs/dbraw/zinc/94/79/20/493947920.db2.gz OQPUDNCWKDRBOY-UHFFFAOYSA-N -1 3 354.320 3.388 20 30 FGEDHM COc1ccc(C(=O)CCC(=O)Nc2nnc(-c3ccco3)[n-]2)cc1F ZINC000081729102 493947986 /nfs/dbraw/zinc/94/79/86/493947986.db2.gz PMMYLKKQDBETCB-UHFFFAOYSA-N -1 3 358.329 3.464 20 30 FGEDHM COc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccco3)n[n-]2)cc1F ZINC000081729102 493947990 /nfs/dbraw/zinc/94/79/90/493947990.db2.gz PMMYLKKQDBETCB-UHFFFAOYSA-N -1 3 358.329 3.464 20 30 FGEDHM COc1ccc(C(=O)CCC(=O)Nc2n[n-]c(-c3ccco3)n2)cc1F ZINC000081729102 493947995 /nfs/dbraw/zinc/94/79/95/493947995.db2.gz 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C=C(C)COc1cccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735402247 598444965 /nfs/dbraw/zinc/44/49/65/598444965.db2.gz NZUVQBAMXNTYLU-KHPPLWFESA-N -1 3 361.405 3.474 20 30 FGEDHM C=C(C)COc1cccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735402247 598444967 /nfs/dbraw/zinc/44/49/67/598444967.db2.gz NZUVQBAMXNTYLU-KHPPLWFESA-N -1 3 361.405 3.474 20 30 FGEDHM C=C(C)COc1cccc(NC(=O)NCc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735402460 598475627 /nfs/dbraw/zinc/47/56/27/598475627.db2.gz VRZYMAPHBGNXKC-UHFFFAOYSA-N -1 3 364.409 3.143 20 30 FGEDHM C=C(C)COc1cccc(NC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735402460 598475628 /nfs/dbraw/zinc/47/56/28/598475628.db2.gz VRZYMAPHBGNXKC-UHFFFAOYSA-N -1 3 364.409 3.143 20 30 FGEDHM C=CCNC(=O)Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000735432005 598557955 /nfs/dbraw/zinc/55/79/55/598557955.db2.gz LMKYVVOYJGMDNP-UHFFFAOYSA-N -1 3 364.409 3.062 20 30 FGEDHM C=CCNC(=O)Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000735432005 598557956 /nfs/dbraw/zinc/55/79/56/598557956.db2.gz 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ZINC000737570440 598788919 /nfs/dbraw/zinc/78/89/19/598788919.db2.gz HPOASXQANOZXFX-UHFFFAOYSA-N -1 3 366.772 3.016 20 30 FGEDHM COc1cccc(C(=O)C(=Cc2cccc(-c3nnn[n-]3)c2)c2ncc[nH]2)c1 ZINC000737120525 598802429 /nfs/dbraw/zinc/80/24/29/598802429.db2.gz CZFBPSWEQVXOHE-GZTJUZNOSA-N -1 3 372.388 3.022 20 30 FGEDHM COc1cccc(C(=O)C(=Cc2cccc(-c3nn[n-]n3)c2)c2ncc[nH]2)c1 ZINC000737120525 598802430 /nfs/dbraw/zinc/80/24/30/598802430.db2.gz CZFBPSWEQVXOHE-GZTJUZNOSA-N -1 3 372.388 3.022 20 30 FGEDHM C=CCNC(=O)Nc1ccc(N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819751433 599363531 /nfs/dbraw/zinc/36/35/31/599363531.db2.gz UOLDIBNRJMZTOP-CYBMUJFWSA-N -1 3 363.425 3.347 20 30 FGEDHM C=CCNC(=O)Nc1ccc(N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819751433 599363533 /nfs/dbraw/zinc/36/35/33/599363533.db2.gz UOLDIBNRJMZTOP-CYBMUJFWSA-N -1 3 363.425 3.347 20 30 FGEDHM CC(C)Oc1ccc(NCc2ccc(C#N)cc2F)cc1-c1nnn[n-]1 ZINC000820173888 607374220 /nfs/dbraw/zinc/37/42/20/607374220.db2.gz MLPWLONXXKODSP-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM CC(C)Oc1ccc(NCc2ccc(C#N)cc2F)cc1-c1nn[n-]n1 ZINC000820173888 607374222 /nfs/dbraw/zinc/37/42/22/607374222.db2.gz MLPWLONXXKODSP-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM C[C@H](C#N)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000735505680 599494649 /nfs/dbraw/zinc/49/46/49/599494649.db2.gz UVUMBPNQYXGWBR-SNVBAGLBSA-N -1 3 368.784 3.411 20 30 FGEDHM C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820254703 599631202 /nfs/dbraw/zinc/63/12/02/599631202.db2.gz VFYOEPZRDWKCHF-LBPRGKRZSA-N -1 3 364.384 3.085 20 30 FGEDHM C[C@@H](CCc1ccccc1F)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820254703 599631203 /nfs/dbraw/zinc/63/12/03/599631203.db2.gz VFYOEPZRDWKCHF-LBPRGKRZSA-N -1 3 364.384 3.085 20 30 FGEDHM CN(CCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000737415024 599911856 /nfs/dbraw/zinc/91/18/56/599911856.db2.gz AGJOGXLYYJVZPR-JTQLQIEISA-N -1 3 372.208 3.031 20 30 FGEDHM COc1ccc(OC2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc1 ZINC000832438904 601311896 /nfs/dbraw/zinc/31/18/96/601311896.db2.gz CKOCUMVNKOEQLG-HXUWFJFHSA-N -1 3 366.417 3.236 20 30 FGEDHM COc1ccc(CSCCOc2ccccc2C#N)cc1-c1nnn[n-]1 ZINC000826207787 607534382 /nfs/dbraw/zinc/53/43/82/607534382.db2.gz DCYJBJDFDPJUTO-UHFFFAOYSA-N -1 3 367.434 3.059 20 30 FGEDHM COc1ccc(CSCCOc2ccccc2C#N)cc1-c1nn[n-]n1 ZINC000826207787 607534384 /nfs/dbraw/zinc/53/43/84/607534384.db2.gz DCYJBJDFDPJUTO-UHFFFAOYSA-N -1 3 367.434 3.059 20 30 FGEDHM CCC[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000739306947 602671032 /nfs/dbraw/zinc/67/10/32/602671032.db2.gz YSMGVHOAGWIGDU-KGLIPLIRSA-N -1 3 373.434 3.431 20 30 FGEDHM CC(C)(CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)NC(=O)[O-] ZINC000738731016 603160289 /nfs/dbraw/zinc/16/02/89/603160289.db2.gz RQSNYQHVDHVSBT-SECBINFHSA-N -1 3 372.208 3.077 20 30 FGEDHM CC(C)(CC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)NC(=O)[O-] ZINC000738730023 603160386 /nfs/dbraw/zinc/16/03/86/603160386.db2.gz LZDOWLVCVWXQLN-NSHDSACASA-N -1 3 372.208 3.077 20 30 FGEDHM N#CC(C(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-])c1nc2ccccc2[nH]1 ZINC000831064002 604213398 /nfs/dbraw/zinc/21/33/98/604213398.db2.gz AUUBHQLASSHEET-HUUCEWRRSA-N -1 3 362.389 3.008 20 30 FGEDHM Cc1cc([C@@H](C)N2CCCN(c3ccccc3C#N)CC2)oc1C(=O)[O-] ZINC000832871141 604384386 /nfs/dbraw/zinc/38/43/86/604384386.db2.gz OQSQZMSADVIGEU-OAHLLOKOSA-N -1 3 353.422 3.431 20 30 FGEDHM Cc1cccc(N=C2NC(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)S2)c1 ZINC000822324320 606302245 /nfs/dbraw/zinc/30/22/45/606302245.db2.gz ZXXZCAVGVQMBGJ-NTUHNPAUSA-N -1 3 368.447 3.128 20 30 FGEDHM Cc1cccc(N=C2NC(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)S2)c1 ZINC000822324320 606302247 /nfs/dbraw/zinc/30/22/47/606302247.db2.gz ZXXZCAVGVQMBGJ-NTUHNPAUSA-N -1 3 368.447 3.128 20 30 FGEDHM CCN(C)c1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000821165815 606306780 /nfs/dbraw/zinc/30/67/80/606306780.db2.gz WMCAMFSQIUWCAY-VZUCSPMQSA-N -1 3 363.421 3.228 20 30 FGEDHM CCN(C)c1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000821165815 606306782 /nfs/dbraw/zinc/30/67/82/606306782.db2.gz WMCAMFSQIUWCAY-VZUCSPMQSA-N -1 3 363.421 3.228 20 30 FGEDHM C#CCN(CC)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000819697469 606436496 /nfs/dbraw/zinc/43/64/96/606436496.db2.gz FZVPRGOEBLQUJQ-UHFFFAOYSA-N -1 3 362.393 3.146 20 30 FGEDHM C#CCN(CC)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000819697469 606436498 /nfs/dbraw/zinc/43/64/98/606436498.db2.gz FZVPRGOEBLQUJQ-UHFFFAOYSA-N -1 3 362.393 3.146 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000822801880 606452435 /nfs/dbraw/zinc/45/24/35/606452435.db2.gz PYSPUIYSXIYHGT-MJGOQNOKSA-N -1 3 362.412 3.278 20 30 FGEDHM N#CCCSc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822810356 606510244 /nfs/dbraw/zinc/51/02/44/606510244.db2.gz GQYSFLRSXRSTJL-UHFFFAOYSA-N -1 3 356.436 3.186 20 30 FGEDHM N#CCCSc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822810356 606510245 /nfs/dbraw/zinc/51/02/45/606510245.db2.gz GQYSFLRSXRSTJL-UHFFFAOYSA-N -1 3 356.436 3.186 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cc3cccc(Cl)c3o2)cc1-c1nnn[n-]1 ZINC000822829735 606604297 /nfs/dbraw/zinc/60/42/97/606604297.db2.gz GUZAGASKWGWIEK-UHFFFAOYSA-N -1 3 364.752 3.390 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cc3cccc(Cl)c3o2)cc1-c1nn[n-]n1 ZINC000822829735 606604299 /nfs/dbraw/zinc/60/42/99/606604299.db2.gz GUZAGASKWGWIEK-UHFFFAOYSA-N -1 3 364.752 3.390 20 30 FGEDHM N#Cc1cc(NC(=O)c2cc3cccc(Cl)c3o2)ccc1-c1nnn[n-]1 ZINC000822823456 606604579 /nfs/dbraw/zinc/60/45/79/606604579.db2.gz QXUIJXJPWWSYEL-UHFFFAOYSA-N -1 3 364.752 3.390 20 30 FGEDHM N#Cc1cc(NC(=O)c2cc3cccc(Cl)c3o2)ccc1-c1nn[n-]n1 ZINC000822823456 606604580 /nfs/dbraw/zinc/60/45/80/606604580.db2.gz QXUIJXJPWWSYEL-UHFFFAOYSA-N -1 3 364.752 3.390 20 30 FGEDHM Cc1nc2scc(C3CC3)n2c1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000822468259 606989440 /nfs/dbraw/zinc/98/94/40/606989440.db2.gz ZANZQKKBASYWPM-UHFFFAOYSA-N -1 3 364.438 3.208 20 30 FGEDHM N#Cc1cccc(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822837368 607013887 /nfs/dbraw/zinc/01/38/87/607013887.db2.gz LJVSJVXFSQLNBH-UHFFFAOYSA-N -1 3 361.390 3.081 20 30 FGEDHM N#Cc1cccc(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822837368 607013889 /nfs/dbraw/zinc/01/38/89/607013889.db2.gz LJVSJVXFSQLNBH-UHFFFAOYSA-N -1 3 361.390 3.081 20 30 FGEDHM CC(C)(C)c1ccc(CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000819958486 607238130 /nfs/dbraw/zinc/23/81/30/607238130.db2.gz MFBLGEPOJGTUOP-UHFFFAOYSA-N -1 3 360.421 3.217 20 30 FGEDHM CC(C)(C)c1ccc(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000819958486 607238131 /nfs/dbraw/zinc/23/81/31/607238131.db2.gz MFBLGEPOJGTUOP-UHFFFAOYSA-N -1 3 360.421 3.217 20 30 FGEDHM N#Cc1ccccc1C=CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822837887 607242875 /nfs/dbraw/zinc/24/28/75/607242875.db2.gz WZIXWRRNKSBYSP-SOFGYWHQSA-N -1 3 350.769 3.044 20 30 FGEDHM N#Cc1ccccc1C=CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822837887 607242876 /nfs/dbraw/zinc/24/28/76/607242876.db2.gz WZIXWRRNKSBYSP-SOFGYWHQSA-N -1 3 350.769 3.044 20 30 FGEDHM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000824457323 607829501 /nfs/dbraw/zinc/82/95/01/607829501.db2.gz JROQAGXAKKMXJV-NSHDSACASA-N -1 3 366.812 3.209 20 30 FGEDHM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000824457323 607829502 /nfs/dbraw/zinc/82/95/02/607829502.db2.gz JROQAGXAKKMXJV-NSHDSACASA-N -1 3 366.812 3.209 20 30 FGEDHM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000824457325 607829820 /nfs/dbraw/zinc/82/98/20/607829820.db2.gz JYBGXQRBYAZHIM-NSHDSACASA-N -1 3 366.812 3.209 20 30 FGEDHM C[C@@H](Cc1ccccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000824457325 607829821 /nfs/dbraw/zinc/82/98/21/607829821.db2.gz JYBGXQRBYAZHIM-NSHDSACASA-N -1 3 366.812 3.209 20 30 FGEDHM CC(=Cc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000823942274 607925906 /nfs/dbraw/zinc/92/59/06/607925906.db2.gz ABXKYUCQVDGGQJ-FLIBITNWSA-N -1 3 364.796 3.434 20 30 FGEDHM CC(=Cc1ccccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000823942274 607925907 /nfs/dbraw/zinc/92/59/07/607925907.db2.gz ABXKYUCQVDGGQJ-FLIBITNWSA-N -1 3 364.796 3.434 20 30 FGEDHM C#Cc1cccc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)c1 ZINC000823861572 607964048 /nfs/dbraw/zinc/96/40/48/607964048.db2.gz NSYIFBYXOXKDRE-UHFFFAOYSA-N -1 3 358.188 3.407 20 30 FGEDHM C#Cc1cccc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)c1 ZINC000823861572 607964049 /nfs/dbraw/zinc/96/40/49/607964049.db2.gz NSYIFBYXOXKDRE-UHFFFAOYSA-N -1 3 358.188 3.407 20 30 FGEDHM O=C1c2ccc(Br)cc2CC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826475342 608015785 /nfs/dbraw/zinc/01/57/85/608015785.db2.gz CIEGRAAZNCCIBY-QPEQYQDCSA-N -1 3 367.206 3.452 20 30 FGEDHM O=C1c2ccc(Br)cc2CC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826475342 608015786 /nfs/dbraw/zinc/01/57/86/608015786.db2.gz CIEGRAAZNCCIBY-QPEQYQDCSA-N -1 3 367.206 3.452 20 30 FGEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1Br ZINC000825961474 608047917 /nfs/dbraw/zinc/04/79/17/608047917.db2.gz GMMXUHMYIRNAML-UHFFFAOYSA-N -1 3 369.226 3.137 20 30 FGEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1Br ZINC000825961474 608047918 /nfs/dbraw/zinc/04/79/18/608047918.db2.gz GMMXUHMYIRNAML-UHFFFAOYSA-N -1 3 369.226 3.137 20 30 FGEDHM Clc1oc2ccccc2c1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826354725 608054327 /nfs/dbraw/zinc/05/43/27/608054327.db2.gz SARVQHQNJWTNMX-UHFFFAOYSA-N -1 3 352.785 3.390 20 30 FGEDHM Clc1oc2ccccc2c1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826354725 608054328 /nfs/dbraw/zinc/05/43/28/608054328.db2.gz SARVQHQNJWTNMX-UHFFFAOYSA-N -1 3 352.785 3.390 20 30 FGEDHM CC(N=Nc1ncccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)s1 ZINC000823962276 608094720 /nfs/dbraw/zinc/09/47/20/608094720.db2.gz ITXCKJNXOADIGS-UHFFFAOYSA-N -1 3 353.333 3.178 20 30 FGEDHM N#CCC[C@H](C#N)CNCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826380847 608291930 /nfs/dbraw/zinc/29/19/30/608291930.db2.gz NYYWXLRSCVDYOD-MRXNPFEDSA-N -1 3 357.421 3.067 20 30 FGEDHM COc1cc(C)c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1OC ZINC000826177857 608879214 /nfs/dbraw/zinc/87/92/14/608879214.db2.gz YHHMDWJQBKINCA-ALCCZGGFSA-N -1 3 368.368 3.228 20 30 FGEDHM COc1cc(C)c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1OC ZINC000826177857 608879216 /nfs/dbraw/zinc/87/92/16/608879216.db2.gz YHHMDWJQBKINCA-ALCCZGGFSA-N -1 3 368.368 3.228 20 30 FGEDHM C=CCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000823932417 609269491 /nfs/dbraw/zinc/26/94/91/609269491.db2.gz XOFJUGOEEVYPFZ-RMKNXTFCSA-N -1 3 350.353 3.467 20 30 FGEDHM C=CCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000823932417 609269493 /nfs/dbraw/zinc/26/94/93/609269493.db2.gz XOFJUGOEEVYPFZ-RMKNXTFCSA-N -1 3 350.353 3.467 20 30 FGEDHM N#CC1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000826380957 609379625 /nfs/dbraw/zinc/37/96/25/609379625.db2.gz RZAILSKATWPRQT-UHFFFAOYSA-N -1 3 374.404 3.035 20 30 FGEDHM N#CC1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000826380957 609379628 /nfs/dbraw/zinc/37/96/28/609379628.db2.gz RZAILSKATWPRQT-UHFFFAOYSA-N -1 3 374.404 3.035 20 30 FGEDHM N#CCC1CCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)CC1 ZINC000826380956 609388043 /nfs/dbraw/zinc/38/80/43/609388043.db2.gz 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Cc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1[N+](=O)[O-] ZINC000826285607 609473937 /nfs/dbraw/zinc/47/39/37/609473937.db2.gz DVRMXUQNNRPCBE-UHFFFAOYSA-N -1 3 357.761 3.183 20 30 FGEDHM O=C1CCC(=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c2ccccc2N1 ZINC000826479861 609474689 /nfs/dbraw/zinc/47/46/89/609474689.db2.gz KPSTXFNMLLPANE-UHFFFAOYSA-N -1 3 367.800 3.069 20 30 FGEDHM O=C1CCC(=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c2ccccc2N1 ZINC000826479861 609474691 /nfs/dbraw/zinc/47/46/91/609474691.db2.gz KPSTXFNMLLPANE-UHFFFAOYSA-N -1 3 367.800 3.069 20 30 FGEDHM Cc1c(Cl)cnc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1C#N ZINC000826236899 609542347 /nfs/dbraw/zinc/54/23/47/609542347.db2.gz GSEXGZNBRKLINV-UHFFFAOYSA-N -1 3 365.828 3.264 20 30 FGEDHM Cc1c(Cl)cnc(N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1C#N ZINC000826236899 609542349 /nfs/dbraw/zinc/54/23/49/609542349.db2.gz GSEXGZNBRKLINV-UHFFFAOYSA-N -1 3 365.828 3.264 20 30 FGEDHM CN(C)C(=O)c1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000042644298 695783241 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C=CCN(CC=C)[C@H](CNC(=O)N=c1[n-]nc(C(C)(C)C)s1)C(C)C ZINC000515799149 503403636 /nfs/dbraw/zinc/40/36/36/503403636.db2.gz VZBBKRCKLKPTAT-CQSZACIVSA-N -1 3 365.547 3.078 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CC2)c(Cl)c1 ZINC000503446022 503411393 /nfs/dbraw/zinc/41/13/93/503411393.db2.gz GCTAKYTVKNXEGZ-UHFFFAOYSA-N -1 3 364.829 3.361 20 30 FGEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000508113871 503433322 /nfs/dbraw/zinc/43/33/22/503433322.db2.gz AFTMEXVVXPHGJG-OAHLLOKOSA-N -1 3 356.444 3.194 20 30 FGEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000508113869 503433645 /nfs/dbraw/zinc/43/36/45/503433645.db2.gz AFTMEXVVXPHGJG-HNNXBMFYSA-N -1 3 356.444 3.194 20 30 FGEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(CCC(C)(C)C)no2)ccc1F ZINC000508684992 503542658 /nfs/dbraw/zinc/54/26/58/503542658.db2.gz DLNFNPSMHSNYLI-UHFFFAOYSA-N -1 3 367.446 3.319 20 30 FGEDHM N#C[C@@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1c(Cl)cccc1Cl ZINC000516582936 503542738 /nfs/dbraw/zinc/54/27/38/503542738.db2.gz WQESQQHIAVWGNP-GFCCVEGCSA-N -1 3 363.204 3.361 20 30 FGEDHM Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000517086939 503664274 /nfs/dbraw/zinc/66/42/74/503664274.db2.gz JNZHWEXGNUPXDM-UHFFFAOYSA-N -1 3 369.812 3.148 20 30 FGEDHM C=CCOc1cccnc1C(=O)[N-]c1cc2c(cc1SC)OCCO2 ZINC000537091016 503799186 /nfs/dbraw/zinc/79/91/86/503799186.db2.gz KUBOCMDFCNSMPR-UHFFFAOYSA-N -1 3 358.419 3.392 20 30 FGEDHM CCOC(=O)c1ccc(NC(=O)[C@H](C#N)CCc2ccccc2)c([O-])c1 ZINC000537287616 503868791 /nfs/dbraw/zinc/86/87/91/503868791.db2.gz DSYGHRAPNRIWJK-INIZCTEOSA-N -1 3 352.390 3.280 20 30 FGEDHM CC(C)Oc1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1 ZINC000533555104 503886326 /nfs/dbraw/zinc/88/63/26/503886326.db2.gz XQTVPFJFMOOEGZ-UHFFFAOYSA-N -1 3 362.426 3.006 20 30 FGEDHM COc1ccc([O-])c(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1 ZINC000537643488 503989534 /nfs/dbraw/zinc/98/95/34/503989534.db2.gz BZGKQYCJVKJZSH-AWEZNQCLSA-N -1 3 361.195 3.158 20 30 FGEDHM C[C@H]1CCN(c2cc(C([O-])=C(C#N)c3nc4ccccc4n3C)ccn2)C1 ZINC000547484452 504122510 /nfs/dbraw/zinc/12/25/10/504122510.db2.gz UTUASGXFKFIUGK-HOCLYGCPSA-N -1 3 359.433 3.305 20 30 FGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(F)c(Br)cc1OC ZINC000544707546 504228008 /nfs/dbraw/zinc/22/80/08/504228008.db2.gz SCGUQIOLZBECDX-VIFPVBQESA-N -1 3 366.252 3.230 20 30 FGEDHM Cc1cc(C(C#N)=C([O-])c2cccc(COC3CCOCC3)c2)nc(C)n1 ZINC000532267845 504591624 /nfs/dbraw/zinc/59/16/24/504591624.db2.gz UJWABVPNUSGICI-LJQANCHMSA-N -1 3 365.433 3.279 20 30 FGEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccccc1OC(F)F ZINC000553437808 504915488 /nfs/dbraw/zinc/91/54/88/504915488.db2.gz JVIDPNAKPKDGFB-LBPRGKRZSA-N -1 3 356.350 3.182 20 30 FGEDHM CCC(CC)Nc1ccncc1NC(=O)c1cc(C#N)c(SC)[n-]c1=O ZINC000565547833 504919653 /nfs/dbraw/zinc/91/96/53/504919653.db2.gz DFUYGCCDAKKXSE-UHFFFAOYSA-N -1 3 371.466 3.050 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(-c3ccccc3)o2)c(F)c1 ZINC000563841096 505253943 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3.026 20 30 FGEDHM CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589205325 506483747 /nfs/dbraw/zinc/48/37/47/506483747.db2.gz SDBUDIUMUDWWJW-HXUWFJFHSA-N -1 3 351.450 3.150 20 30 FGEDHM N#Cc1cccc(C(=O)[N-]c2nnc(Cc3ccc(Cl)cc3)s2)n1 ZINC000589491460 506566856 /nfs/dbraw/zinc/56/68/56/506566856.db2.gz JIMVORKSMKPWKN-UHFFFAOYSA-N -1 3 355.810 3.301 20 30 FGEDHM Cc1cccc([O-])c1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000599802003 506645861 /nfs/dbraw/zinc/64/58/61/506645861.db2.gz PSKJHFQFVBIRRN-UHFFFAOYSA-N -1 3 351.406 3.087 20 30 FGEDHM N#Cc1c([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)sc2c1CCCC2 ZINC000603941381 506665012 /nfs/dbraw/zinc/66/50/12/506665012.db2.gz LKIOQJWSPGRIRL-UHFFFAOYSA-N -1 3 371.374 3.388 20 30 FGEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1CCCO[C@H]1c1ccccc1 ZINC000593537771 506676586 /nfs/dbraw/zinc/67/65/86/506676586.db2.gz NOHYWAVMHMBJHL-YOEHRIQHSA-N -1 3 362.476 3.066 20 30 FGEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000593568345 506688444 /nfs/dbraw/zinc/68/84/44/506688444.db2.gz VXGBGYKHAXNSHP-ZFWWWQNUSA-N -1 3 362.476 3.066 20 30 FGEDHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC1(C#N)CCCC1 ZINC000593623694 506706014 /nfs/dbraw/zinc/70/60/14/506706014.db2.gz NRTVJJXCMRIYEM-UHFFFAOYSA-N -1 3 363.302 3.181 20 30 FGEDHM CCc1c(C)sc([N-]C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)c1C#N ZINC000609033038 506766055 /nfs/dbraw/zinc/76/60/55/506766055.db2.gz OWQATFLKDCEQOW-UHFFFAOYSA-N -1 3 359.363 3.380 20 30 FGEDHM CCC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccn1 ZINC000609180030 506804508 /nfs/dbraw/zinc/80/45/08/506804508.db2.gz YPGNISXYEZXTSQ-SFHVURJKSA-N -1 3 352.438 3.261 20 30 FGEDHM C=CCN(CC=C)[C@@H](CNC(=O)N=c1nc(C(C)(C)C)[n-]s1)C(C)C ZINC000604802024 506949279 /nfs/dbraw/zinc/94/92/79/506949279.db2.gz ZCXXDOMEKIJOBZ-AWEZNQCLSA-N -1 3 365.547 3.078 20 30 FGEDHM COc1cc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)ccc1[N+](=O)[O-] ZINC000609831240 507017614 /nfs/dbraw/zinc/01/76/14/507017614.db2.gz MNKXKEOIBVABRR-LBPRGKRZSA-N -1 3 350.334 3.278 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2cc(F)ccc2[C@@H]1C ZINC000609978758 507059730 /nfs/dbraw/zinc/05/97/30/507059730.db2.gz LNVFNQQGXIQPPA-AWEZNQCLSA-N -1 3 367.424 3.493 20 30 FGEDHM COc1cccc(S(=O)(=O)[N-][C@@H]2CCCc3cc(C#N)ccc32)c1F ZINC000594468010 507144315 /nfs/dbraw/zinc/14/43/15/507144315.db2.gz IHHAGRFLRGGJQA-OAHLLOKOSA-N -1 3 360.410 3.062 20 30 FGEDHM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@H](OC)C1CCCCC1 ZINC000594706914 507246549 /nfs/dbraw/zinc/24/65/49/507246549.db2.gz YWGGTTONLFUDGS-GOSISDBHSA-N -1 3 365.499 3.327 20 30 FGEDHM CC(C)(C)OCCC[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000594849627 507296577 /nfs/dbraw/zinc/29/65/77/507296577.db2.gz QJKMFATXKFUKFK-UHFFFAOYSA-N -1 3 364.389 3.061 20 30 FGEDHM CN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)[C@H]1CCC[C@H]1C#N ZINC000601804557 507465453 /nfs/dbraw/zinc/46/54/53/507465453.db2.gz BAXRGBASZJNASC-BONVTDFDSA-N -1 3 374.238 3.055 20 30 FGEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000611113643 507520945 /nfs/dbraw/zinc/52/09/45/507520945.db2.gz CIVJDJPIOKDLGT-SNVBAGLBSA-N -1 3 365.680 3.319 20 30 FGEDHM COC(=O)c1cc(C(=O)[N-]c2ccc(Oc3ccccc3)c(C#N)c2)on1 ZINC000614661713 507609373 /nfs/dbraw/zinc/60/93/73/507609373.db2.gz FMUFEXCSDUGHKU-UHFFFAOYSA-N -1 3 363.329 3.377 20 30 FGEDHM Cc1cnc2nc(C(=O)[N-]c3sc4c(c3C#N)C[C@H](C)C[C@@H]4C)nn2c1 ZINC000598838213 507630554 /nfs/dbraw/zinc/63/05/54/507630554.db2.gz LFOZIISUNOQTMX-KOLCDFICSA-N -1 3 366.450 3.304 20 30 FGEDHM C=CCCCCCN(C)C(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000735408855 598838487 /nfs/dbraw/zinc/83/84/87/598838487.db2.gz SMVWGIBWFOXLDG-UHFFFAOYSA-N -1 3 359.499 3.305 20 30 FGEDHM C=CCCCCCN(C)C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000735408855 598838489 /nfs/dbraw/zinc/83/84/89/598838489.db2.gz SMVWGIBWFOXLDG-UHFFFAOYSA-N -1 3 359.499 3.305 20 30 FGEDHM C=CCCCCCN(C)C(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735408830 598838497 /nfs/dbraw/zinc/83/84/97/598838497.db2.gz RXXZQJDIRMNFKW-SFHVURJKSA-N -1 3 368.485 3.040 20 30 FGEDHM N#Cc1cc(NC(=O)C=Cc2ccccc2Cl)ccc1-c1nnn[n-]1 ZINC000737704594 598920028 /nfs/dbraw/zinc/92/00/28/598920028.db2.gz KGMPWURQFVAEIG-YVMONPNESA-N -1 3 350.769 3.044 20 30 FGEDHM N#Cc1cc(NC(=O)C=Cc2ccccc2Cl)ccc1-c1nn[n-]n1 ZINC000737704594 598920029 /nfs/dbraw/zinc/92/00/29/598920029.db2.gz KGMPWURQFVAEIG-YVMONPNESA-N -1 3 350.769 3.044 20 30 FGEDHM COc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c2ccccc12 ZINC000821786618 607253255 /nfs/dbraw/zinc/25/32/55/607253255.db2.gz GPEMLGRTASAVGO-UHFFFAOYSA-N -1 3 358.405 3.152 20 30 FGEDHM COc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c2ccccc12 ZINC000821786618 607253256 /nfs/dbraw/zinc/25/32/56/607253256.db2.gz GPEMLGRTASAVGO-UHFFFAOYSA-N -1 3 358.405 3.152 20 30 FGEDHM Cc1c(C#N)cccc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822016064 607256385 /nfs/dbraw/zinc/25/63/85/607256385.db2.gz UMRPAWVYXGHKAO-UHFFFAOYSA-N -1 3 356.336 3.260 20 30 FGEDHM Cc1c(C#N)cccc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822016064 607256386 /nfs/dbraw/zinc/25/63/86/607256386.db2.gz UMRPAWVYXGHKAO-UHFFFAOYSA-N -1 3 356.336 3.260 20 30 FGEDHM COc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc(OC)c1 ZINC000821712343 599110283 /nfs/dbraw/zinc/11/02/83/599110283.db2.gz FXOXKCSVMYHBOM-VGOFMYFVSA-N -1 3 362.389 3.096 20 30 FGEDHM COc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc(OC)c1 ZINC000821712343 599110284 /nfs/dbraw/zinc/11/02/84/599110284.db2.gz FXOXKCSVMYHBOM-VGOFMYFVSA-N -1 3 362.389 3.096 20 30 FGEDHM COc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc(OC)c1 ZINC000821712342 599110783 /nfs/dbraw/zinc/11/07/83/599110783.db2.gz FXOXKCSVMYHBOM-AUWJEWJLSA-N -1 3 362.389 3.096 20 30 FGEDHM COc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc(OC)c1 ZINC000821712342 599110786 /nfs/dbraw/zinc/11/07/86/599110786.db2.gz FXOXKCSVMYHBOM-AUWJEWJLSA-N -1 3 362.389 3.096 20 30 FGEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1OC ZINC000821786546 599113495 /nfs/dbraw/zinc/11/34/95/599113495.db2.gz FKFBAYSUVJTIOJ-ZROIWOOFSA-N -1 3 362.389 3.096 20 30 FGEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1OC ZINC000821786546 599113497 /nfs/dbraw/zinc/11/34/97/599113497.db2.gz FKFBAYSUVJTIOJ-ZROIWOOFSA-N -1 3 362.389 3.096 20 30 FGEDHM COc1ccc(C=CC(=O)c2ccccc2OC(F)F)cc1-c1nnn[n-]1 ZINC000737080512 599153833 /nfs/dbraw/zinc/15/38/33/599153833.db2.gz CBEWHYUHVXDAEH-SOFGYWHQSA-N -1 3 372.331 3.373 20 30 FGEDHM COc1ccc(C=CC(=O)c2ccccc2OC(F)F)cc1-c1nn[n-]n1 ZINC000737080512 599153836 /nfs/dbraw/zinc/15/38/36/599153836.db2.gz CBEWHYUHVXDAEH-SOFGYWHQSA-N -1 3 372.331 3.373 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccccc2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737201652 599157309 /nfs/dbraw/zinc/15/73/09/599157309.db2.gz FVDVUPPSOGUNBN-KPKJPENVSA-N -1 3 356.389 3.257 20 30 FGEDHM Cc1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1Cl ZINC000737338806 599191607 /nfs/dbraw/zinc/19/16/07/599191607.db2.gz XCTMYYAKZVIUFO-UHFFFAOYSA-N -1 3 366.812 3.272 20 30 FGEDHM Cc1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1Cl ZINC000737338806 599191611 /nfs/dbraw/zinc/19/16/11/599191611.db2.gz XCTMYYAKZVIUFO-UHFFFAOYSA-N -1 3 366.812 3.272 20 30 FGEDHM C=CCNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735432254 599196211 /nfs/dbraw/zinc/19/62/11/599196211.db2.gz OWHRPQWRGBEQMR-UHFFFAOYSA-N -1 3 355.785 3.228 20 30 FGEDHM C=CCNC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735432254 599196213 /nfs/dbraw/zinc/19/62/13/599196213.db2.gz OWHRPQWRGBEQMR-UHFFFAOYSA-N -1 3 355.785 3.228 20 30 FGEDHM C=CC[C@H](C)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735409960 599203185 /nfs/dbraw/zinc/20/31/85/599203185.db2.gz PZASQAOQVLSOCD-AWEZNQCLSA-N -1 3 363.421 3.140 20 30 FGEDHM C[C@H](C#N)OC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735506463 599215610 /nfs/dbraw/zinc/21/56/10/599215610.db2.gz WWLDAKNBIWKWPD-SNVBAGLBSA-N -1 3 369.768 3.381 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cccc(C#N)c1C ZINC000819745561 607284445 /nfs/dbraw/zinc/28/44/45/607284445.db2.gz JURQTWOHNOVISI-UHFFFAOYSA-N -1 3 373.420 3.267 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cccc(C#N)c1C ZINC000819745561 607284446 /nfs/dbraw/zinc/28/44/46/607284446.db2.gz JURQTWOHNOVISI-UHFFFAOYSA-N -1 3 373.420 3.267 20 30 FGEDHM C=C(C)COc1cccc(NCc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000819722684 607315603 /nfs/dbraw/zinc/31/56/03/607315603.db2.gz OCUCCIRTZKAGQT-UHFFFAOYSA-N -1 3 361.409 3.081 20 30 FGEDHM C=C(C)COc1cccc(NCc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000819722684 607315604 /nfs/dbraw/zinc/31/56/04/607315604.db2.gz OCUCCIRTZKAGQT-UHFFFAOYSA-N -1 3 361.409 3.081 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(F)c(F)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202167 598378221 /nfs/dbraw/zinc/37/82/21/598378221.db2.gz KYKHFLWJUJEZCE-ALCCZGGFSA-N -1 3 355.348 3.097 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(F)c(F)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202167 598378222 /nfs/dbraw/zinc/37/82/22/598378222.db2.gz KYKHFLWJUJEZCE-ALCCZGGFSA-N -1 3 355.348 3.097 20 30 FGEDHM Cc1[nH]c2ccccc2c1C(=O)C=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737200013 599463253 /nfs/dbraw/zinc/46/32/53/599463253.db2.gz RGWDYWGWENNLTO-FPLPWBNLSA-N -1 3 369.388 3.200 20 30 FGEDHM Cc1[nH]c2ccccc2c1C(=O)C=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737200013 599463255 /nfs/dbraw/zinc/46/32/55/599463255.db2.gz RGWDYWGWENNLTO-FPLPWBNLSA-N -1 3 369.388 3.200 20 30 FGEDHM C=CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000819740126 599640111 /nfs/dbraw/zinc/64/01/11/599640111.db2.gz QIMCFFLMEOAJGQ-UHFFFAOYSA-N -1 3 361.409 3.031 20 30 FGEDHM C=CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000819740126 599640112 /nfs/dbraw/zinc/64/01/12/599640112.db2.gz QIMCFFLMEOAJGQ-UHFFFAOYSA-N -1 3 361.409 3.031 20 30 FGEDHM C=CCC[C@@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819733842 607404282 /nfs/dbraw/zinc/40/42/82/607404282.db2.gz CENRPNYIPNZDJM-GOSISDBHSA-N -1 3 363.421 3.069 20 30 FGEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)CC1 ZINC000736095451 599995536 /nfs/dbraw/zinc/99/55/36/599995536.db2.gz XRALYOCPWJDKEF-UHFFFAOYSA-N -1 3 350.394 3.078 20 30 FGEDHM CC[C@H](C)C(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736871311 600594622 /nfs/dbraw/zinc/59/46/22/600594622.db2.gz RFYPEAHJXHXLHA-LIRRHRJNSA-N -1 3 365.433 3.458 20 30 FGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1c(Cl)nc2ccccn21 ZINC000822922959 607460865 /nfs/dbraw/zinc/46/08/65/607460865.db2.gz LNTXCSCPSNKGBO-VOTSOKGWSA-N -1 3 368.759 3.203 20 30 FGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1c(Cl)nc2ccccn21 ZINC000822922959 607460866 /nfs/dbraw/zinc/46/08/66/607460866.db2.gz LNTXCSCPSNKGBO-VOTSOKGWSA-N -1 3 368.759 3.203 20 30 FGEDHM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC(F)F ZINC000832000551 601298688 /nfs/dbraw/zinc/29/86/88/601298688.db2.gz UUKBJIHVGLWILE-MRXNPFEDSA-N -1 3 362.332 3.084 20 30 FGEDHM COc1ccc(CSc2nc(C)cc(C)c2-c2nnn[n-]2)cc1C#N ZINC000826207824 607540678 /nfs/dbraw/zinc/54/06/78/607540678.db2.gz GBGUKXFPQUFACC-UHFFFAOYSA-N -1 3 352.423 3.051 20 30 FGEDHM COc1ccc(CSc2nc(C)cc(C)c2-c2nn[n-]n2)cc1C#N ZINC000826207824 607540679 /nfs/dbraw/zinc/54/06/79/607540679.db2.gz GBGUKXFPQUFACC-UHFFFAOYSA-N -1 3 352.423 3.051 20 30 FGEDHM C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824553002 604412862 /nfs/dbraw/zinc/41/28/62/604412862.db2.gz TXNSFQKZFSYSFJ-RDBSUJKOSA-N -1 3 355.394 3.420 20 30 FGEDHM Cc1cc(C#N)ccc1C(=O)Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000826257238 607710890 /nfs/dbraw/zinc/71/08/90/607710890.db2.gz UGZSSGMJWGEMOW-UHFFFAOYSA-N -1 3 362.393 3.086 20 30 FGEDHM Cc1cc(C#N)ccc1C(=O)Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000826257238 607710891 /nfs/dbraw/zinc/71/08/91/607710891.db2.gz UGZSSGMJWGEMOW-UHFFFAOYSA-N -1 3 362.393 3.086 20 30 FGEDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000833420826 604868097 /nfs/dbraw/zinc/86/80/97/604868097.db2.gz ZKRLVKAKXQFAPC-QGZVFWFLSA-N -1 3 352.438 3.202 20 30 FGEDHM N#Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)cc1 ZINC000826384576 607769562 /nfs/dbraw/zinc/76/95/62/607769562.db2.gz AYRDGVJLHJNISB-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM N#Cc1ccc(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)cc1 ZINC000826384576 607769563 /nfs/dbraw/zinc/76/95/63/607769563.db2.gz AYRDGVJLHJNISB-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM CC(C)CCN(CCC#N)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000820076890 606150201 /nfs/dbraw/zinc/15/02/01/606150201.db2.gz VYHLUSHVANEMQO-UHFFFAOYSA-N -1 3 361.837 3.314 20 30 FGEDHM CC(C)CCN(CCC#N)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000820076890 606150202 /nfs/dbraw/zinc/15/02/02/606150202.db2.gz VYHLUSHVANEMQO-UHFFFAOYSA-N -1 3 361.837 3.314 20 30 FGEDHM N#C[C@@H](OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000822801810 606169779 /nfs/dbraw/zinc/16/97/79/606169779.db2.gz OZVXEDQAXHSKAT-QGZVFWFLSA-N -1 3 360.377 3.069 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cnn1-c1ccccc1 ZINC000822015827 606305871 /nfs/dbraw/zinc/30/58/71/606305871.db2.gz PKURHXWGDBCFOT-FPLPWBNLSA-N -1 3 362.418 3.318 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cnn1-c1ccccc1 ZINC000822015827 606305873 /nfs/dbraw/zinc/30/58/73/606305873.db2.gz PKURHXWGDBCFOT-FPLPWBNLSA-N -1 3 362.418 3.318 20 30 FGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1c(Cl)nc2ccccn21 ZINC000822922228 606392843 /nfs/dbraw/zinc/39/28/43/606392843.db2.gz DRVJIFJZWGRFDK-GQCTYLIASA-N -1 3 356.798 3.125 20 30 FGEDHM Cc1ccc(C=NOCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000822232954 606594656 /nfs/dbraw/zinc/59/46/56/606594656.db2.gz FFFCXSMKLLARGX-UHFFFAOYSA-N -1 3 359.336 3.327 20 30 FGEDHM Cc1ccc(C=NOCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000822232954 606594657 /nfs/dbraw/zinc/59/46/57/606594657.db2.gz FFFCXSMKLLARGX-UHFFFAOYSA-N -1 3 359.336 3.327 20 30 FGEDHM CC(C)CCN(CCC#N)C(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000820076491 606630859 /nfs/dbraw/zinc/63/08/59/606630859.db2.gz JTMNIRPXGRQOKD-UHFFFAOYSA-N -1 3 372.477 3.217 20 30 FGEDHM CC(C)CCN(CCC#N)C(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000820076491 606630861 /nfs/dbraw/zinc/63/08/61/606630861.db2.gz JTMNIRPXGRQOKD-UHFFFAOYSA-N -1 3 372.477 3.217 20 30 FGEDHM C#CCCCNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000819692749 606795412 /nfs/dbraw/zinc/79/54/12/606795412.db2.gz JPEXLGATNNBHTK-UHFFFAOYSA-N -1 3 361.405 3.111 20 30 FGEDHM C#CCCCNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000819692749 606795414 /nfs/dbraw/zinc/79/54/14/606795414.db2.gz JPEXLGATNNBHTK-UHFFFAOYSA-N -1 3 361.405 3.111 20 30 FGEDHM C=C[C@H](C)NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819729815 606834180 /nfs/dbraw/zinc/83/41/80/606834180.db2.gz NEPPEPQQRIPHEJ-LBPRGKRZSA-N -1 3 350.382 3.355 20 30 FGEDHM C=C[C@H](C)NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819729815 606834181 /nfs/dbraw/zinc/83/41/81/606834181.db2.gz NEPPEPQQRIPHEJ-LBPRGKRZSA-N -1 3 350.382 3.355 20 30 FGEDHM COc1ccc(C=CC(=O)c2cc3c(s2)CCC3)cc1-c1nnn[n-]1 ZINC000821786534 606977164 /nfs/dbraw/zinc/97/71/64/606977164.db2.gz FIIWVGQUPIEKLH-FNORWQNLSA-N -1 3 352.419 3.322 20 30 FGEDHM COc1ccc(C=CC(=O)c2cc3c(s2)CCC3)cc1-c1nn[n-]n1 ZINC000821786534 606977165 /nfs/dbraw/zinc/97/71/65/606977165.db2.gz FIIWVGQUPIEKLH-FNORWQNLSA-N -1 3 352.419 3.322 20 30 FGEDHM N#Cc1cc(Br)ccc1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000822818889 607032357 /nfs/dbraw/zinc/03/23/57/607032357.db2.gz ILLVWOQAIOHKSO-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM N#Cc1cc(Br)ccc1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000822818889 607032358 /nfs/dbraw/zinc/03/23/58/607032358.db2.gz ILLVWOQAIOHKSO-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1nc2ccc(Cl)cc2n1C ZINC000819773568 607146355 /nfs/dbraw/zinc/14/63/55/607146355.db2.gz VDUDYZBIRVHKLZ-UHFFFAOYSA-N -1 3 366.816 3.243 20 30 FGEDHM CC(C)(C#N)c1ccccc1COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000819891607 607154468 /nfs/dbraw/zinc/15/44/68/607154468.db2.gz DBASCQXHGNHNCG-VAWYXSNFSA-N -1 3 373.416 3.424 20 30 FGEDHM CC(C)(C#N)c1ccccc1COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000819891607 607154470 /nfs/dbraw/zinc/15/44/70/607154470.db2.gz DBASCQXHGNHNCG-VAWYXSNFSA-N -1 3 373.416 3.424 20 30 FGEDHM O=C1c2cc3c(cc2OCCC1=Cc1cccc(-c2nnn[n-]2)c1)CCC3 ZINC000823504369 607171611 /nfs/dbraw/zinc/17/16/11/607171611.db2.gz PKMLRCPLMPWYBH-CXUHLZMHSA-N -1 3 358.401 3.404 20 30 FGEDHM O=C1c2cc3c(cc2OCCC1=Cc1cccc(-c2nn[n-]n2)c1)CCC3 ZINC000823504369 607171612 /nfs/dbraw/zinc/17/16/12/607171612.db2.gz PKMLRCPLMPWYBH-CXUHLZMHSA-N -1 3 358.401 3.404 20 30 FGEDHM C=C(C)[C@@H](CC(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1)OCC ZINC000823872597 607885621 /nfs/dbraw/zinc/88/56/21/607885621.db2.gz BPGLZNRYLWDTEL-RHSMWYFYSA-N -1 3 357.458 3.148 20 30 FGEDHM C=C(C)[C@@H](CC(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1)OCC ZINC000823872597 607885622 /nfs/dbraw/zinc/88/56/22/607885622.db2.gz BPGLZNRYLWDTEL-RHSMWYFYSA-N -1 3 357.458 3.148 20 30 FGEDHM N#Cc1ccc(NCc2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000826385304 608050952 /nfs/dbraw/zinc/05/09/52/608050952.db2.gz GCPNFTPKOHMXBX-UHFFFAOYSA-N -1 3 355.199 3.113 20 30 FGEDHM N#Cc1ccc(NCc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000826385304 608050953 /nfs/dbraw/zinc/05/09/53/608050953.db2.gz GCPNFTPKOHMXBX-UHFFFAOYSA-N -1 3 355.199 3.113 20 30 FGEDHM Fc1ccc(Br)c(C=NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826373595 608054427 /nfs/dbraw/zinc/05/44/27/608054427.db2.gz SAVMHFDNMMQGFZ-UHFFFAOYSA-N -1 3 361.178 3.214 20 30 FGEDHM Fc1ccc(Br)c(C=NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826373595 608054428 /nfs/dbraw/zinc/05/44/28/608054428.db2.gz SAVMHFDNMMQGFZ-UHFFFAOYSA-N -1 3 361.178 3.214 20 30 FGEDHM CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000823958284 608094740 /nfs/dbraw/zinc/09/47/40/608094740.db2.gz HOFHOCSBGBFICQ-UHFFFAOYSA-N -1 3 363.790 3.326 20 30 FGEDHM CC(=NNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nn[n-]n2)s1 ZINC000823958284 608094741 /nfs/dbraw/zinc/09/47/41/608094741.db2.gz HOFHOCSBGBFICQ-UHFFFAOYSA-N -1 3 363.790 3.326 20 30 FGEDHM COc1ccc(CCC(C)=NOCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826191899 608152196 /nfs/dbraw/zinc/15/21/96/608152196.db2.gz SXEOHFDIKVCNDI-UHFFFAOYSA-N -1 3 351.410 3.401 20 30 FGEDHM COc1ccc(CCC(C)=NOCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826191899 608152197 /nfs/dbraw/zinc/15/21/97/608152197.db2.gz SXEOHFDIKVCNDI-UHFFFAOYSA-N -1 3 351.410 3.401 20 30 FGEDHM CCOc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1[N+](=O)[O-] ZINC000825632644 608230096 /nfs/dbraw/zinc/23/00/96/608230096.db2.gz YTKSOBYZRVFAMD-PLNGDYQASA-N -1 3 371.378 3.131 20 30 FGEDHM CCOc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1[N+](=O)[O-] ZINC000825632644 608230098 /nfs/dbraw/zinc/23/00/98/608230098.db2.gz YTKSOBYZRVFAMD-PLNGDYQASA-N -1 3 371.378 3.131 20 30 FGEDHM C=CCN(C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C1CC1 ZINC000823903442 608277903 /nfs/dbraw/zinc/27/79/03/608277903.db2.gz APBVHTVMGWTIQS-UHFFFAOYSA-N -1 3 362.437 3.065 20 30 FGEDHM Cc1cccc2[nH]cc(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)c21 ZINC000826304469 608540911 /nfs/dbraw/zinc/54/09/11/608540911.db2.gz LVYUSHZVNHCQDY-UHFFFAOYSA-N -1 3 352.789 3.151 20 30 FGEDHM Cc1cccc2[nH]cc(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)c21 ZINC000826304469 608540913 /nfs/dbraw/zinc/54/09/13/608540913.db2.gz LVYUSHZVNHCQDY-UHFFFAOYSA-N -1 3 352.789 3.151 20 30 FGEDHM COc1ccc2nc(NN=Cc3ccc(-c4nn[n-]n4)cc3)c(C)cc2c1 ZINC000826214004 609307860 /nfs/dbraw/zinc/30/78/60/609307860.db2.gz WHSNXVLMMJEGIE-UHFFFAOYSA-N -1 3 359.393 3.178 20 30 FGEDHM Cn1cc(C=C2Cc3ccccc3C2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360104 609308705 /nfs/dbraw/zinc/30/87/05/609308705.db2.gz XTUSQHXKXHSTOW-LFIBNONCSA-N -1 3 368.400 3.090 20 30 FGEDHM Cn1cc(C=C2Cc3ccccc3C2=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360104 609308707 /nfs/dbraw/zinc/30/87/07/609308707.db2.gz XTUSQHXKXHSTOW-LFIBNONCSA-N -1 3 368.400 3.090 20 30 FGEDHM O=C(C=Cc1cccc(Br)n1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400876 609310090 /nfs/dbraw/zinc/31/00/90/609310090.db2.gz KFXBIGZFFFMFCT-ALCCZGGFSA-N -1 3 374.173 3.059 20 30 FGEDHM O=C(C=Cc1cccc(Br)n1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400876 609310092 /nfs/dbraw/zinc/31/00/92/609310092.db2.gz KFXBIGZFFFMFCT-ALCCZGGFSA-N -1 3 374.173 3.059 20 30 FGEDHM Clc1cc(N=NC[C@H]2CCOc3ccccc32)ccc1-c1nnn[n-]1 ZINC000826351598 609471987 /nfs/dbraw/zinc/47/19/87/609471987.db2.gz SEYXYTOWEVLBIJ-LLVKDONJSA-N -1 3 354.801 3.484 20 30 FGEDHM Clc1cc(N=NC[C@H]2CCOc3ccccc32)ccc1-c1nn[n-]n1 ZINC000826351598 609471988 /nfs/dbraw/zinc/47/19/88/609471988.db2.gz SEYXYTOWEVLBIJ-LLVKDONJSA-N -1 3 354.801 3.484 20 30 FGEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc2c(c1)COC2 ZINC000823958331 609475148 /nfs/dbraw/zinc/47/51/48/609475148.db2.gz JRHAOOCDGXTFQB-UHFFFAOYSA-N -1 3 354.801 3.386 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc2c(c1)COC2 ZINC000823958331 609475149 /nfs/dbraw/zinc/47/51/49/609475149.db2.gz JRHAOOCDGXTFQB-UHFFFAOYSA-N -1 3 354.801 3.386 20 30 FGEDHM Cc1c(Cl)cnc(N(Cc2ccc(C#N)cc2)C2CC2)c1-c1nnn[n-]1 ZINC000826236718 609542187 /nfs/dbraw/zinc/54/21/87/609542187.db2.gz AEBLCYUJYUQDPC-UHFFFAOYSA-N -1 3 365.828 3.264 20 30 FGEDHM Cc1c(Cl)cnc(N(Cc2ccc(C#N)cc2)C2CC2)c1-c1nn[n-]n1 ZINC000826236718 609542188 /nfs/dbraw/zinc/54/21/88/609542188.db2.gz AEBLCYUJYUQDPC-UHFFFAOYSA-N -1 3 365.828 3.264 20 30 FGEDHM Cc1cc(C(=O)[N-]c2nnc(C(F)(F)C(F)(F)F)s2)ncc1C#N ZINC000601688952 673894575 /nfs/dbraw/zinc/89/45/75/673894575.db2.gz PEQBUXUIQZWFBR-UHFFFAOYSA-N -1 3 363.271 3.020 20 30 FGEDHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)Nc1ccccc1C#N ZINC000011809686 695602818 /nfs/dbraw/zinc/60/28/18/695602818.db2.gz VHHWHUKLZBCMCB-MRVPVSSYSA-N -1 3 352.177 3.377 20 30 FGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cc3c(s2)CCOC3)cc1 ZINC000103330120 700483417 /nfs/dbraw/zinc/48/34/17/700483417.db2.gz CQDDWBJZQLTOFA-OAHLLOKOSA-N -1 3 354.431 3.344 20 30 FGEDHM COc1cccc([C@@H](O)C/N=C/c2cc(Br)ccc2[O-])c1 ZINC000110129498 700538877 /nfs/dbraw/zinc/53/88/77/700538877.db2.gz MNVVOAHRPRKZCL-ZJTXRKTBSA-N -1 3 350.212 3.316 20 30 FGEDHM C[C@H](CC#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000113696419 700574647 /nfs/dbraw/zinc/57/46/47/700574647.db2.gz BSEHCXKPJQDWPS-GFCCVEGCSA-N -1 3 362.382 3.085 20 30 FGEDHM COc1ccccc1[C@H](O)C/N=C\c1cc(Br)ccc1[O-] ZINC000255037532 713681246 /nfs/dbraw/zinc/68/12/46/713681246.db2.gz OHVDNLHWMSQMGG-FNMPFJKNSA-N -1 3 350.212 3.316 20 30 FGEDHM CON=Cc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000255326141 713691660 /nfs/dbraw/zinc/69/16/60/713691660.db2.gz YFPYPQZIMYGONT-UHFFFAOYSA-N -1 3 363.211 3.065 20 30 FGEDHM Cc1ccc(N=Cc2cc(Br)ccc2[O-])cc1-n1cnnn1 ZINC000255668610 713703619 /nfs/dbraw/zinc/70/36/19/713703619.db2.gz LYJIPFCCQQNBBF-UHFFFAOYSA-N -1 3 358.199 3.189 20 30 FGEDHM Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)cc1F ZINC000619753182 714867030 /nfs/dbraw/zinc/86/70/30/714867030.db2.gz OZYPNFMCGBYSEK-UHFFFAOYSA-N -1 3 356.781 3.277 20 30 FGEDHM CCOc1c(Cl)cccc1C=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000782201592 724637397 /nfs/dbraw/zinc/63/73/97/724637397.db2.gz PUCOVYXMLYDNHO-UHFFFAOYSA-N -1 3 352.843 3.192 20 30 FGEDHM C[C@H](NCc1ccc(C#N)cn1)c1cc(Br)cc(F)c1[O-] ZINC000783300407 724745885 /nfs/dbraw/zinc/74/58/85/724745885.db2.gz LUPCTHXNXMAELM-VIFPVBQESA-N -1 3 350.191 3.411 20 30 FGEDHM O=S(=O)([N-]Cc1c(F)c(F)cc(F)c1F)c1cc(F)c(F)c(F)c1 ZINC000674419040 721691077 /nfs/dbraw/zinc/69/10/77/721691077.db2.gz RFQQPSIUJHQFDG-UHFFFAOYSA-N -1 3 373.249 3.139 20 30 FGEDHM Cc1ncc(CO)c(/C=N\[C@H]2CCCN(c3ccccc3Cl)C2)c1[O-] ZINC000741466455 722546163 /nfs/dbraw/zinc/54/61/63/722546163.db2.gz RQMXBYJKLVAEGJ-ISXXMWLLSA-N -1 3 359.857 3.329 20 30 FGEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1nc2ccccc2s1 ZINC000751105240 722794340 /nfs/dbraw/zinc/79/43/40/722794340.db2.gz SIUWTHHPYVGALV-SNVBAGLBSA-N -1 3 361.423 3.347 20 30 FGEDHM CC[C@@](C)([N-]S(=O)(=O)c1cccc(F)c1C#N)c1nc(C)cs1 ZINC000751451160 722807196 /nfs/dbraw/zinc/80/71/96/722807196.db2.gz QSJJKAMVRDQKEW-OAHLLOKOSA-N -1 3 353.444 3.066 20 30 FGEDHM COc1ccc(CN=Nc2cc(Cl)nc(C)n2)c(Br)c1[O-] ZINC000761010643 723112562 /nfs/dbraw/zinc/11/25/62/723112562.db2.gz AMHAYUKEJKPFKF-UHFFFAOYSA-N -1 3 371.622 3.361 20 30 FGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cnc(OC)c(Cl)c2)cc1 ZINC000793123469 723401879 /nfs/dbraw/zinc/40/18/79/723401879.db2.gz IDBRRFJPUQFVPM-AWEZNQCLSA-N -1 3 357.797 3.267 20 30 FGEDHM COc1ccsc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000764659467 723435126 /nfs/dbraw/zinc/43/51/26/723435126.db2.gz LFHKMELNPSKNNF-CYBMUJFWSA-N -1 3 374.447 3.032 20 30 FGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(OC)c(Cl)n2)cc1 ZINC000766843367 723595198 /nfs/dbraw/zinc/59/51/98/723595198.db2.gz WNNSJPFYRYBLBL-CYBMUJFWSA-N -1 3 357.797 3.267 20 30 FGEDHM C#C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccc(Cl)cc1F ZINC000796088893 723620239 /nfs/dbraw/zinc/62/02/39/723620239.db2.gz KFECNYVHXYLJHU-OAHLLOKOSA-N -1 3 366.776 3.143 20 30 FGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000798468366 723934978 /nfs/dbraw/zinc/93/49/78/723934978.db2.gz NCWJBZGMZVGOAK-VIFPVBQESA-N -1 3 366.266 3.413 20 30 FGEDHM COc1ccc(N[C@@H](C)c2ccc(C#N)c(F)c2)cc1[N-]S(C)(=O)=O ZINC000777628019 724245138 /nfs/dbraw/zinc/24/51/38/724245138.db2.gz PRRHXIGBVNZLQL-NSHDSACASA-N -1 3 363.414 3.251 20 30 FGEDHM O=S(=O)(c1ccc(NN=C2CCc3c2ccc([O-])c3F)cc1)C(F)F ZINC000807968570 725177269 /nfs/dbraw/zinc/17/72/69/725177269.db2.gz QAJXEWWEIGFABO-UHFFFAOYSA-N -1 3 370.352 3.290 20 30 FGEDHM O=C1Nc2cccc(Br)c2C1=N[N-]c1nccnc1C1CCC1 ZINC000807994342 725178824 /nfs/dbraw/zinc/17/88/24/725178824.db2.gz QSXIPZJPXDNXPZ-UHFFFAOYSA-N -1 3 372.226 3.275 20 30 FGEDHM CSc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000811187423 725349587 /nfs/dbraw/zinc/34/95/87/725349587.db2.gz GRADMVYZZWGDMD-LLVKDONJSA-N -1 3 356.403 3.170 20 30 FGEDHM COc1cc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)ccc1C#N ZINC000812250087 725391552 /nfs/dbraw/zinc/39/15/52/725391552.db2.gz YUHJIOKHLDASDP-UHFFFAOYSA-N -1 3 352.287 3.253 20 30 FGEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1ccc(Cl)o1 ZINC000814742066 726996589 /nfs/dbraw/zinc/99/65/89/726996589.db2.gz XHUTZRWZVMWOTM-GFCCVEGCSA-N -1 3 362.798 3.208 20 30 FGEDHM COCc1nc(Cl)cc([N-]N=C2C(=O)Nc3c2c(Cl)ccc3C)n1 ZINC000814978773 727016404 /nfs/dbraw/zinc/01/64/04/727016404.db2.gz VULLEPYBSOYMLF-UHFFFAOYSA-N -1 3 366.208 3.007 20 30 FGEDHM CCN(C(=O)c1cc(C#N)cs1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160639 729064578 /nfs/dbraw/zinc/06/45/78/729064578.db2.gz NTHIZBDEOHGSJS-NSHDSACASA-N -1 3 352.423 3.023 20 30 FGEDHM CCN(C(=O)c1cc(C#N)cs1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160639 729064585 /nfs/dbraw/zinc/06/45/85/729064585.db2.gz NTHIZBDEOHGSJS-NSHDSACASA-N -1 3 352.423 3.023 20 30 FGEDHM Cc1cc([O-])c(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1Cl ZINC000825510231 729386093 /nfs/dbraw/zinc/38/60/93/729386093.db2.gz XVHSBHRUJIBCGE-DZGCQCFKSA-N -1 3 365.861 3.203 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC/C=C\Br ZINC000835797891 729918545 /nfs/dbraw/zinc/91/85/45/729918545.db2.gz MEKXKEYHWNXPLC-CLTKARDFSA-N -1 3 353.216 3.050 20 30 FGEDHM CCO[C@@H]1C[C@H](/N=C\c2cc(Br)ccc2[O-])[C@H]1n1cccn1 ZINC000840706463 730164498 /nfs/dbraw/zinc/16/44/98/730164498.db2.gz MUDIBWJSQCBHOX-IVIMJNQNSA-N -1 3 364.243 3.189 20 30 FGEDHM C[C@@]1(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@]1(F)Cl ZINC000845977161 730914351 /nfs/dbraw/zinc/91/43/51/730914351.db2.gz VBJLOUHWRRTUMH-CHWSQXEVSA-N -1 3 351.230 3.195 20 30 FGEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(SCc2ccccc2)cc1 ZINC000848139403 731134322 /nfs/dbraw/zinc/13/43/22/731134322.db2.gz VKXUGHPOSWUCNG-KRWDZBQOSA-N -1 3 356.447 3.089 20 30 FGEDHM COc1cc(C(=O)/C=C/c2cc(C(F)(F)F)nn2C)c(OC)cc1[O-] ZINC000853007559 731648934 /nfs/dbraw/zinc/64/89/34/731648934.db2.gz WILCFQHDSJFPME-SNAWJCMRSA-N -1 3 356.300 3.058 20 30 FGEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@H]2c3ccccc3CC[C@@H]2F)c1 ZINC000882807662 737493700 /nfs/dbraw/zinc/49/37/00/737493700.db2.gz CCFRNMTYMSCWBG-ROUUACIJSA-N -1 3 362.401 3.142 20 30 FGEDHM O=C([C@@H]1CCN(c2ccc(Cl)cc2)C1=O)N([O-])Cc1ccc(F)cc1 ZINC000901374256 743261668 /nfs/dbraw/zinc/26/16/68/743261668.db2.gz HOGHRMCWAZRQGG-MRXNPFEDSA-N -1 3 362.788 3.250 20 30 FGEDHM C[C@H](NCC1(C#N)CC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000903106457 743805456 /nfs/dbraw/zinc/80/54/56/743805456.db2.gz QRXVKRYDRDEYQB-HNNXBMFYSA-N -1 3 355.463 3.442 20 30 FGEDHM C[C@@H](C#N)CN(C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)C1CC1 ZINC000907122113 744186961 /nfs/dbraw/zinc/18/69/61/744186961.db2.gz WSMQUNNGXJZYKD-JTQLQIEISA-N -1 3 350.444 3.254 20 30 FGEDHM C[C@@H]([N-]C(=O)c1cc(F)c(F)c(F)c1F)c1noc(C(F)(F)F)n1 ZINC000910776659 757044860 /nfs/dbraw/zinc/04/48/60/757044860.db2.gz XXJRCYHLZKYHID-GSVOUGTGSA-N -1 3 357.185 3.136 20 30 FGEDHM COc1ccc(NC(=S)NN=Cc2cc(Cl)c([O-])c(OC)c2)cc1 ZINC000915925632 758005053 /nfs/dbraw/zinc/00/50/53/758005053.db2.gz QSAPXTKNXVBQNN-UHFFFAOYSA-N -1 3 365.842 3.383 20 30 FGEDHM N#Cc1cccnc1N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000052427606 494024451 /nfs/dbraw/zinc/02/44/51/494024451.db2.gz FEQKMBXXARYIRW-UHFFFAOYSA-N -1 3 356.813 3.167 20 30 FGEDHM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1c[n-]c2ccccc2c1=O ZINC000032942818 494031587 /nfs/dbraw/zinc/03/15/87/494031587.db2.gz KYLUDEFCOHPYAJ-UHFFFAOYSA-N -1 3 370.330 3.328 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2sccc2[C@@H]1C ZINC000052988441 494081635 /nfs/dbraw/zinc/08/16/35/494081635.db2.gz RALKPNDXSJDMDB-ZDUSSCGKSA-N -1 3 355.463 3.003 20 30 FGEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(Br)s1 ZINC000064372396 494117513 /nfs/dbraw/zinc/11/75/13/494117513.db2.gz DHENVBSOIUFFCT-UHFFFAOYSA-N -1 3 350.201 3.327 20 30 FGEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(Br)s1 ZINC000064372396 494117515 /nfs/dbraw/zinc/11/75/15/494117515.db2.gz DHENVBSOIUFFCT-UHFFFAOYSA-N -1 3 350.201 3.327 20 30 FGEDHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)Oc3ccccc3C#N)c2)n1 ZINC000053469927 494136250 /nfs/dbraw/zinc/13/62/50/494136250.db2.gz KWEJYIDUWOHAJJ-CQSZACIVSA-N -1 3 374.400 3.023 20 30 FGEDHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000053527171 494142533 /nfs/dbraw/zinc/14/25/33/494142533.db2.gz CWDKWANVBWUILB-FZMZJTMJSA-N -1 3 362.393 3.098 20 30 FGEDHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000053527171 494142537 /nfs/dbraw/zinc/14/25/37/494142537.db2.gz CWDKWANVBWUILB-FZMZJTMJSA-N -1 3 362.393 3.098 20 30 FGEDHM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000053527171 494142540 /nfs/dbraw/zinc/14/25/40/494142540.db2.gz CWDKWANVBWUILB-FZMZJTMJSA-N -1 3 362.393 3.098 20 30 FGEDHM O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000053525446 494142949 /nfs/dbraw/zinc/14/29/49/494142949.db2.gz JILADGXABQQARJ-LLVKDONJSA-N -1 3 355.785 3.359 20 30 FGEDHM O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000053525446 494142950 /nfs/dbraw/zinc/14/29/50/494142950.db2.gz JILADGXABQQARJ-LLVKDONJSA-N -1 3 355.785 3.359 20 30 FGEDHM O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1COc2ccc(Cl)cc2C1 ZINC000053525446 494142953 /nfs/dbraw/zinc/14/29/53/494142953.db2.gz JILADGXABQQARJ-LLVKDONJSA-N -1 3 355.785 3.359 20 30 FGEDHM Cc1nc2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc2s1 ZINC000010784303 494161314 /nfs/dbraw/zinc/16/13/14/494161314.db2.gz RQGZGBRPONLGSY-UHFFFAOYSA-N -1 3 366.446 3.353 20 30 FGEDHM O=C([N-]c1n[nH]c(C(F)(F)F)n1)c1c(F)cc(C(F)(F)F)cc1F ZINC000577326691 505706021 /nfs/dbraw/zinc/70/60/21/505706021.db2.gz QQXQUGKAYDJBAX-UHFFFAOYSA-N -1 3 360.164 3.373 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@@H](C)c1ccccc1F ZINC000043747830 494316571 /nfs/dbraw/zinc/31/65/71/494316571.db2.gz WQUGBFUWYBFISE-AWEZNQCLSA-N -1 3 355.413 3.155 20 30 FGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(Br)cc2c1OCC2 ZINC000580262152 505716256 /nfs/dbraw/zinc/71/62/56/505716256.db2.gz MGWCQHNJWPPZMA-LBPRGKRZSA-N -1 3 360.273 3.017 20 30 FGEDHM N#Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1OCC(F)(F)F ZINC000055595695 494369997 /nfs/dbraw/zinc/36/99/97/494369997.db2.gz STHSVSACHLGSFQ-UHFFFAOYSA-N -1 3 374.315 3.439 20 30 FGEDHM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1nnc(-c2ccco2)[n-]1 ZINC000073974127 494459942 /nfs/dbraw/zinc/45/99/42/494459942.db2.gz WVGKZGWXFSTOAA-HNNXBMFYSA-N -1 3 365.393 3.189 20 30 FGEDHM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1nc(-c2ccco2)n[n-]1 ZINC000073974127 494459948 /nfs/dbraw/zinc/45/99/48/494459948.db2.gz WVGKZGWXFSTOAA-HNNXBMFYSA-N -1 3 365.393 3.189 20 30 FGEDHM CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000073974127 494459951 /nfs/dbraw/zinc/45/99/51/494459951.db2.gz WVGKZGWXFSTOAA-HNNXBMFYSA-N -1 3 365.393 3.189 20 30 FGEDHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)c2)n1 ZINC000047317645 494679474 /nfs/dbraw/zinc/67/94/74/494679474.db2.gz JGMVEMKAYKVZRX-CQSZACIVSA-N -1 3 374.400 3.023 20 30 FGEDHM N#Cc1ccc(Cc2cnc([N-]C(=O)c3ccc([N+](=O)[O-])o3)s2)cc1 ZINC000121423541 494749212 /nfs/dbraw/zinc/74/92/12/494749212.db2.gz MALWSDDVPYMRFA-UHFFFAOYSA-N -1 3 354.347 3.359 20 30 FGEDHM C=C(C)C[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000122648757 495009804 /nfs/dbraw/zinc/00/98/04/495009804.db2.gz LBWWTEUUUXFKJE-UHFFFAOYSA-N -1 3 369.078 3.066 20 30 FGEDHM CN(C(=O)C1CC1)c1ccccc1C([O-])=C(C#N)c1nc2ccccc2n1C ZINC000122996699 495065512 /nfs/dbraw/zinc/06/55/12/495065512.db2.gz ZWXFIWOHDMLLHE-INIZCTEOSA-N -1 3 372.428 3.436 20 30 FGEDHM N#CCCN(C(=O)CCC(=O)Nc1cccc([O-])c1F)c1ccccc1 ZINC000129131922 495200484 /nfs/dbraw/zinc/20/04/84/495200484.db2.gz VCJDQZXHRAOTAQ-UHFFFAOYSA-N -1 3 355.369 3.197 20 30 FGEDHM CC(C)(C#N)c1ccccc1CN1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000135242871 495267321 /nfs/dbraw/zinc/26/73/21/495267321.db2.gz QDSRFBJUBMJTFM-UHFFFAOYSA-N -1 3 363.461 3.151 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000115139710 495466886 /nfs/dbraw/zinc/46/68/86/495466886.db2.gz DMTYKGCNRSNGPL-KBXCAEBGSA-N -1 3 363.461 3.201 20 30 FGEDHM C[C@H](C[C@@H](O)c1cccs1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185385750 495557991 /nfs/dbraw/zinc/55/79/91/495557991.db2.gz BDXHRAQAEFYRCX-ZWNOBZJWSA-N -1 3 370.883 3.064 20 30 FGEDHM C[C@@H](CC(=O)c1cccs1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185529203 495611287 /nfs/dbraw/zinc/61/12/87/495611287.db2.gz AOFKIEBYRHIPJV-JTQLQIEISA-N -1 3 368.867 3.213 20 30 FGEDHM Cc1cc(=O)c(C([O-])=C(C#N)c2ccccn2)nn1-c1cccc(Cl)c1 ZINC000173951747 495760794 /nfs/dbraw/zinc/76/07/94/495760794.db2.gz RDTQMMFMYZKUQP-HNNXBMFYSA-N -1 3 364.792 3.079 20 30 FGEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)Oc1ccccc1F ZINC000180034603 495831274 /nfs/dbraw/zinc/83/12/74/495831274.db2.gz QQCSLTWYIWVWAI-LLVKDONJSA-N -1 3 368.817 3.097 20 30 FGEDHM COc1cc(C#N)ccc1OCCCC(=O)N1CCCc2cccc([O-])c21 ZINC000155677670 496033453 /nfs/dbraw/zinc/03/34/53/496033453.db2.gz FPQNMAWTLUMQME-UHFFFAOYSA-N -1 3 366.417 3.411 20 30 FGEDHM N#CC1([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCCCC1 ZINC000180667779 496095571 /nfs/dbraw/zinc/09/55/71/496095571.db2.gz ZUQFJPFRTKMLFT-UHFFFAOYSA-N -1 3 350.337 3.349 20 30 FGEDHM CC(C)c1nc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)cs1 ZINC000184307171 496328920 /nfs/dbraw/zinc/32/89/20/496328920.db2.gz QWQDAZSOTWFOEU-UHFFFAOYSA-N -1 3 369.899 3.313 20 30 FGEDHM CCCN(CCc1cccs1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000184367156 496353836 /nfs/dbraw/zinc/35/38/36/496353836.db2.gz DPDSPPWUOMYMOH-UHFFFAOYSA-N -1 3 371.506 3.339 20 30 FGEDHM CS(=O)(=O)c1c(Cl)cccc1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000153334431 496422777 /nfs/dbraw/zinc/42/27/77/496422777.db2.gz DFRCGPYOYSNARH-UHFFFAOYSA-N -1 3 370.764 3.146 20 30 FGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCOc2ccc(F)cc21 ZINC000178540248 496492868 /nfs/dbraw/zinc/49/28/68/496492868.db2.gz CVNZWAZQSCSFGF-AWEZNQCLSA-N -1 3 366.801 3.153 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(c2ccsc2)CC1 ZINC000187804100 496578701 /nfs/dbraw/zinc/57/87/01/496578701.db2.gz CMVLADUYXGATHX-UHFFFAOYSA-N -1 3 369.490 3.264 20 30 FGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CCCO)c2ccccc2)c1 ZINC000184905315 496579387 /nfs/dbraw/zinc/57/93/87/496579387.db2.gz OYPGJMFVAIQYMR-INIZCTEOSA-N -1 3 364.854 3.004 20 30 FGEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@H]1COc2ccccc21 ZINC000167591477 496704075 /nfs/dbraw/zinc/70/40/75/496704075.db2.gz OKAQUBDEQHMQPN-BXUZGUMPSA-N -1 3 362.838 3.055 20 30 FGEDHM C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C#N)c([O-])c2)CCN1Cc1ccccc1 ZINC000188473177 496801133 /nfs/dbraw/zinc/80/11/33/496801133.db2.gz NFOUGOWJJOJHSN-JXFKEZNVSA-N -1 3 363.461 3.389 20 30 FGEDHM C[C@@H]1CCCc2nc(S(=O)(=O)[N-][C@@H](CCC#N)c3ccccc3)cn21 ZINC000574860565 505870994 /nfs/dbraw/zinc/87/09/94/505870994.db2.gz LSWHJKRSISXAAF-ZBFHGGJFSA-N -1 3 358.467 3.104 20 30 FGEDHM CSc1nn(-c2ccccc2)c([N-]C(=O)c2ncc(F)cc2F)c1C#N ZINC000192091943 496993123 /nfs/dbraw/zinc/99/31/23/496993123.db2.gz FBSYCTSVJCAMDI-UHFFFAOYSA-N -1 3 371.372 3.391 20 30 FGEDHM C=CC[C@H]1N(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CCCC1(C)C ZINC000278403736 497102073 /nfs/dbraw/zinc/10/20/73/497102073.db2.gz LBCLLKIMNORVJQ-MRXNPFEDSA-N -1 3 368.474 3.404 20 30 FGEDHM N#CC(CCn1cc(Cl)c(=O)[n-]c1=O)(c1ccccc1)c1ccccc1 ZINC000193068118 497292805 /nfs/dbraw/zinc/29/28/05/497292805.db2.gz TYQSBVZZALUVAL-UHFFFAOYSA-N -1 3 365.820 3.090 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000193308818 497345603 /nfs/dbraw/zinc/34/56/03/497345603.db2.gz SLEVSBWFFKWFRL-UHFFFAOYSA-N -1 3 362.433 3.236 20 30 FGEDHM C=CC[C@@H](C(=O)N1CCN(C(=O)c2cccc([O-])c2)CC1)c1ccccc1 ZINC000190224730 497406659 /nfs/dbraw/zinc/40/66/59/497406659.db2.gz JZZJTDZYEXBBCG-HXUWFJFHSA-N -1 3 364.445 3.037 20 30 FGEDHM N#Cc1ccc(Oc2ccc(NC(=O)[N-]OC[C@@H]3CCOC3)cc2)cc1 ZINC000276421025 497570135 /nfs/dbraw/zinc/57/01/35/497570135.db2.gz QVVLHLVRXHHIOH-OAHLLOKOSA-N -1 3 353.378 3.440 20 30 FGEDHM N#CC(=C([O-])c1cccc(NC(=O)C2CC2)c1)c1cnc2ccccc2n1 ZINC000190922331 497647255 /nfs/dbraw/zinc/64/72/55/497647255.db2.gz FJIGRFZMAMXIQT-MRXNPFEDSA-N -1 3 356.385 3.468 20 30 FGEDHM C=CCN1CCC([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 ZINC000280491676 497769956 /nfs/dbraw/zinc/76/99/56/497769956.db2.gz BPJBIBJFNJYYIL-UHFFFAOYSA-N -1 3 367.273 3.061 20 30 FGEDHM CCCc1ccc(C(=O)C(C(=S)[N-]CC)[n+]2cc([O-])ccc2C)cc1 ZINC000280582572 497793579 /nfs/dbraw/zinc/79/35/79/497793579.db2.gz MZNSWMLNXBJQKP-UHFFFAOYSA-O -1 3 357.499 3.489 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1csc(C(C)C)n1 ZINC000263793758 497816164 /nfs/dbraw/zinc/81/61/64/497816164.db2.gz KGVQNXCCAKPHRC-UHFFFAOYSA-N -1 3 372.494 3.147 20 30 FGEDHM C[C@]1(C[C@H]2CCCN2C(=O)N[C@H]2CCCC(C)(C)C2)NC(=O)[N-]C1=O ZINC000329586298 497835998 /nfs/dbraw/zinc/83/59/98/497835998.db2.gz YJHJTGSXYGXZJB-VEVIJQCQSA-N -1 3 350.463 3.367 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(C)(C)[C@@H]1c1cccnc1 ZINC000292528062 498048618 /nfs/dbraw/zinc/04/86/18/498048618.db2.gz UTWZKTWZJHHYCC-IBGZPJMESA-N -1 3 364.449 3.213 20 30 FGEDHM COc1cc(Br)cc([N-]S(=O)(=O)CCC(C)(C)C#N)c1 ZINC000578657307 505990708 /nfs/dbraw/zinc/99/07/08/505990708.db2.gz HWFLLPRSZOGWMO-UHFFFAOYSA-N -1 3 361.261 3.139 20 30 FGEDHM CSc1ccc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)nc1 ZINC000351251228 498205948 /nfs/dbraw/zinc/20/59/48/498205948.db2.gz KMTGHZBHYLVGDS-UHFFFAOYSA-N -1 3 367.434 3.228 20 30 FGEDHM Cc1nc(-c2ccc(S(=O)(=O)[N-]CC3(C#N)CCC3)s2)cs1 ZINC000578862162 506039378 /nfs/dbraw/zinc/03/93/78/506039378.db2.gz SZVIKXYNUQQJHQ-UHFFFAOYSA-N -1 3 353.494 3.152 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cnccc1OC(C)C ZINC000286939914 498561260 /nfs/dbraw/zinc/56/12/60/498561260.db2.gz LZKRHVZNCRCNEF-UHFFFAOYSA-N -1 3 369.421 3.134 20 30 FGEDHM N#Cc1cc(NC([O-])=NOCCC(F)(F)F)ccc1OC(F)(F)F ZINC000282989051 498737320 /nfs/dbraw/zinc/73/73/20/498737320.db2.gz LBHMQWQDYFWSET-UHFFFAOYSA-N -1 3 357.210 3.462 20 30 FGEDHM N#Cc1cc(NC(=O)[N-]OCCC(F)(F)F)ccc1OC(F)(F)F ZINC000282989051 498737324 /nfs/dbraw/zinc/73/73/24/498737324.db2.gz LBHMQWQDYFWSET-UHFFFAOYSA-N -1 3 357.210 3.462 20 30 FGEDHM C[C@H](/N=C/c1ccc(O)c([O-])c1O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000298636085 498834993 /nfs/dbraw/zinc/83/49/93/498834993.db2.gz IUINLSCPUMJQSU-KKBVUKDESA-N -1 3 355.394 3.267 20 30 FGEDHM Cc1nc(C2(NC(=O)c3cc(F)cc4nn[n-]c43)CCCCCC2)no1 ZINC000328636327 498883333 /nfs/dbraw/zinc/88/33/33/498883333.db2.gz AGEHAJYHWVUJTD-UHFFFAOYSA-N -1 3 358.377 3.343 20 30 FGEDHM Cc1nc(C2(NC(=O)c3cc(F)cc4[n-]nnc43)CCCCCC2)no1 ZINC000328636327 498883339 /nfs/dbraw/zinc/88/33/39/498883339.db2.gz AGEHAJYHWVUJTD-UHFFFAOYSA-N -1 3 358.377 3.343 20 30 FGEDHM Cc1nc(C2(NC(=O)c3cc(F)cc4n[n-]nc43)CCCCCC2)no1 ZINC000328636327 498883342 /nfs/dbraw/zinc/88/33/42/498883342.db2.gz 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CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594758468 507269869 /nfs/dbraw/zinc/26/98/69/507269869.db2.gz RPKYWPCDPMVHPP-RISCZKNCSA-N -1 3 366.508 3.157 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)[C@H]1CCCCO1 ZINC000594774449 507275220 /nfs/dbraw/zinc/27/52/20/507275220.db2.gz ZQUDYNLHNTXHHV-SWLSCSKDSA-N -1 3 364.492 3.317 20 30 FGEDHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000594790811 507282795 /nfs/dbraw/zinc/28/27/95/507282795.db2.gz XNCREHAUFIIUHR-QWHCGFSZSA-N -1 3 354.428 3.017 20 30 FGEDHM CC(C)(C)O[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C12CCC2 ZINC000594864972 507299237 /nfs/dbraw/zinc/29/92/37/507299237.db2.gz RCUZWCJSIGOBFD-QWHCGFSZSA-N -1 3 354.497 3.024 20 30 FGEDHM N#Cc1csc(C(=O)Nc2cc(I)ccc2[O-])c1 ZINC000610638801 507327835 /nfs/dbraw/zinc/32/78/35/507327835.db2.gz UGRAPCONTJZHQS-UHFFFAOYSA-N -1 3 370.171 3.182 20 30 FGEDHM Cc1cc(C)c(-c2cc(=NC(=O)CC3(C#N)CCOCC3)[nH][n-]2)cc1C ZINC000598670409 507542477 /nfs/dbraw/zinc/54/24/77/507542477.db2.gz ACMRTCXMVNIPDN-UHFFFAOYSA-N -1 3 352.438 3.073 20 30 FGEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000592383012 507629846 /nfs/dbraw/zinc/62/98/46/507629846.db2.gz ZQSUHCWWEUYPAA-VIFPVBQESA-N -1 3 356.753 3.209 20 30 FGEDHM CC(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000592383043 507630295 /nfs/dbraw/zinc/63/02/95/507630295.db2.gz AWXCDFPAKJIVQH-VIFPVBQESA-N -1 3 356.753 3.065 20 30 FGEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000592382146 507630728 /nfs/dbraw/zinc/63/07/28/507630728.db2.gz KBZHISLNMDGTJR-SNVBAGLBSA-N -1 3 370.780 3.455 20 30 FGEDHM CCCc1ncc(C(=O)[N-]c2sc3c(c2C#N)CCN(C(C)=O)C3)s1 ZINC000598887958 507663434 /nfs/dbraw/zinc/66/34/34/507663434.db2.gz DJUDDPUKYDDDQO-UHFFFAOYSA-N -1 3 374.491 3.186 20 30 FGEDHM COc1ccccc1-c1cc(=NC(=O)C2(c3ccc(C#N)cc3)CC2)[nH][n-]1 ZINC000614916180 507694189 /nfs/dbraw/zinc/69/41/89/507694189.db2.gz USMPKWOKXGFITO-UHFFFAOYSA-N -1 3 358.401 3.049 20 30 FGEDHM N#Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1-c1nnn[n-]1 ZINC000737719534 598914294 /nfs/dbraw/zinc/91/42/94/598914294.db2.gz RJABOLRPGDNKGF-UHFFFAOYSA-N -1 3 358.283 3.009 20 30 FGEDHM N#Cc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1-c1nn[n-]n1 ZINC000737719534 598914296 /nfs/dbraw/zinc/91/42/96/598914296.db2.gz RJABOLRPGDNKGF-UHFFFAOYSA-N -1 3 358.283 3.009 20 30 FGEDHM N#Cc1cc(NC(=O)C2(c3cccc(Cl)c3)CC2)ccc1-c1nnn[n-]1 ZINC000737703612 598921330 /nfs/dbraw/zinc/92/13/30/598921330.db2.gz DJICFUXKHOPCAE-UHFFFAOYSA-N -1 3 364.796 3.062 20 30 FGEDHM N#Cc1cc(NC(=O)C2(c3cccc(Cl)c3)CC2)ccc1-c1nn[n-]n1 ZINC000737703612 598921331 /nfs/dbraw/zinc/92/13/31/598921331.db2.gz DJICFUXKHOPCAE-UHFFFAOYSA-N -1 3 364.796 3.062 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1-c1nnn[n-]1 ZINC000737720184 598922082 /nfs/dbraw/zinc/92/20/82/598922082.db2.gz ZGGLKBJNUOHXNS-UHFFFAOYSA-N -1 3 365.205 3.359 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1-c1nn[n-]n1 ZINC000737720184 598922084 /nfs/dbraw/zinc/92/20/84/598922084.db2.gz ZGGLKBJNUOHXNS-UHFFFAOYSA-N -1 3 365.205 3.359 20 30 FGEDHM Cc1cccc(C2(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)CCCC2)c1 ZINC000737390166 598930005 /nfs/dbraw/zinc/93/00/05/598930005.db2.gz QVCFVRDYVLRINN-UHFFFAOYSA-N -1 3 372.432 3.497 20 30 FGEDHM Cc1cccc(C2(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)CCCC2)c1 ZINC000737390166 598930006 /nfs/dbraw/zinc/93/00/06/598930006.db2.gz QVCFVRDYVLRINN-UHFFFAOYSA-N -1 3 372.432 3.497 20 30 FGEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cccc(-c2ccncc2)c1 ZINC000819773125 607254217 /nfs/dbraw/zinc/25/42/17/607254217.db2.gz ONFICHBFAJGVAK-UHFFFAOYSA-N -1 3 369.432 3.443 20 30 FGEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cccc(-c2ccncc2)c1 ZINC000819773125 607254218 /nfs/dbraw/zinc/25/42/18/607254218.db2.gz ONFICHBFAJGVAK-UHFFFAOYSA-N -1 3 369.432 3.443 20 30 FGEDHM COc1ccc(C=C2Cc3cc(Cl)ccc3C2=O)cc1-c1nnn[n-]1 ZINC000821787303 599110625 /nfs/dbraw/zinc/11/06/25/599110625.db2.gz RCUAUYOIICWUOG-WUXMJOGZSA-N -1 3 352.781 3.351 20 30 FGEDHM COc1ccc(C=C2Cc3cc(Cl)ccc3C2=O)cc1-c1nn[n-]n1 ZINC000821787303 599110628 /nfs/dbraw/zinc/11/06/28/599110628.db2.gz RCUAUYOIICWUOG-WUXMJOGZSA-N -1 3 352.781 3.351 20 30 FGEDHM COc1ccc(C=C2CSc3c(F)cccc3C2=O)cc1-c1nnn[n-]1 ZINC000737083921 599153116 /nfs/dbraw/zinc/15/31/16/599153116.db2.gz QIISOXIVTYMKHM-XFFZJAGNSA-N -1 3 368.393 3.386 20 30 FGEDHM COc1ccc(C=C2CSc3c(F)cccc3C2=O)cc1-c1nn[n-]n1 ZINC000737083921 599153118 /nfs/dbraw/zinc/15/31/18/599153118.db2.gz QIISOXIVTYMKHM-XFFZJAGNSA-N -1 3 368.393 3.386 20 30 FGEDHM COc1ccc(C=CC(=O)c2ccccc2OC(F)F)cc1-c1nnn[n-]1 ZINC000737080513 599153643 /nfs/dbraw/zinc/15/36/43/599153643.db2.gz CBEWHYUHVXDAEH-VURMDHGXSA-N -1 3 372.331 3.373 20 30 FGEDHM COc1ccc(C=CC(=O)c2ccccc2OC(F)F)cc1-c1nn[n-]n1 ZINC000737080513 599153645 /nfs/dbraw/zinc/15/36/45/599153645.db2.gz CBEWHYUHVXDAEH-VURMDHGXSA-N -1 3 372.331 3.373 20 30 FGEDHM COc1ccc(C=C2Cc3c(cccc3Cl)C2=O)cc1-c1nnn[n-]1 ZINC000737083081 599156133 /nfs/dbraw/zinc/15/61/33/599156133.db2.gz MZGVDQWQRNYIBO-YRNVUSSQSA-N -1 3 352.781 3.351 20 30 FGEDHM COc1ccc(C=C2Cc3c(cccc3Cl)C2=O)cc1-c1nn[n-]n1 ZINC000737083081 599156135 /nfs/dbraw/zinc/15/61/35/599156135.db2.gz MZGVDQWQRNYIBO-YRNVUSSQSA-N -1 3 352.781 3.351 20 30 FGEDHM C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1cccc(F)c1 ZINC000735978226 599194009 /nfs/dbraw/zinc/19/40/09/599194009.db2.gz ZQYBILULYUMVJK-NSHDSACASA-N -1 3 350.357 3.010 20 30 FGEDHM C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1cccc(F)c1 ZINC000735978226 599194011 /nfs/dbraw/zinc/19/40/11/599194011.db2.gz ZQYBILULYUMVJK-NSHDSACASA-N -1 3 350.357 3.010 20 30 FGEDHM CCC(CC)CN(CCC#N)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736337615 598239408 /nfs/dbraw/zinc/23/94/08/598239408.db2.gz LTJWIAJYYDLCES-ZHACJKMWSA-N -1 3 352.442 3.058 20 30 FGEDHM CCC(CC)CN(CCC#N)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736337615 598239410 /nfs/dbraw/zinc/23/94/10/598239410.db2.gz LTJWIAJYYDLCES-ZHACJKMWSA-N -1 3 352.442 3.058 20 30 FGEDHM N#Cc1ccc(NC(=S)Nc2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000737719841 598317598 /nfs/dbraw/zinc/31/75/98/598317598.db2.gz WJXBXOIFYCPAPD-UHFFFAOYSA-N -1 3 355.814 3.201 20 30 FGEDHM N#Cc1ccc(NC(=S)Nc2cccc(-c3nn[n-]n3)c2)cc1Cl ZINC000737719841 598317600 /nfs/dbraw/zinc/31/76/00/598317600.db2.gz WJXBXOIFYCPAPD-UHFFFAOYSA-N -1 3 355.814 3.201 20 30 FGEDHM CCOc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1 ZINC000736643104 598377340 /nfs/dbraw/zinc/37/73/40/598377340.db2.gz DAPSWNCGJNABIK-FLIBITNWSA-N -1 3 363.421 3.218 20 30 FGEDHM CCOc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1 ZINC000736643104 598377341 /nfs/dbraw/zinc/37/73/41/598377341.db2.gz DAPSWNCGJNABIK-FLIBITNWSA-N -1 3 363.421 3.218 20 30 FGEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735649476 598535797 /nfs/dbraw/zinc/53/57/97/598535797.db2.gz ZKKVFQKXEAQJBO-QGZVFWFLSA-N -1 3 360.421 3.159 20 30 FGEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735649476 598535799 /nfs/dbraw/zinc/53/57/99/598535799.db2.gz ZKKVFQKXEAQJBO-QGZVFWFLSA-N -1 3 360.421 3.159 20 30 FGEDHM C(=NNC1CCCC1)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735400987 598545644 /nfs/dbraw/zinc/54/56/44/598545644.db2.gz UZVMPJLNWDPOQI-UHFFFAOYSA-N -1 3 362.437 3.312 20 30 FGEDHM C(=NNC1CCCC1)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735400987 598545646 /nfs/dbraw/zinc/54/56/46/598545646.db2.gz UZVMPJLNWDPOQI-UHFFFAOYSA-N -1 3 362.437 3.312 20 30 FGEDHM C=CCN(CC=C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735418392 598608834 /nfs/dbraw/zinc/60/88/34/598608834.db2.gz COJLNMDDYUTNKB-UHFFFAOYSA-N -1 3 362.437 3.088 20 30 FGEDHM C=CCN(CC=C)C(=O)[C@H](C)S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735419253 599326774 /nfs/dbraw/zinc/32/67/74/599326774.db2.gz QZLNEQLIBDQSMI-KBPBESRZSA-N -1 3 357.483 3.250 20 30 FGEDHM C=CCN(CC=C)C(=O)[C@H](C)S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735419253 599326776 /nfs/dbraw/zinc/32/67/76/599326776.db2.gz QZLNEQLIBDQSMI-KBPBESRZSA-N -1 3 357.483 3.250 20 30 FGEDHM CC[C@H](C#N)Oc1cccc(CNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000820841623 599556723 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370.449 3.350 20 30 FGEDHM CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000830265833 601236285 /nfs/dbraw/zinc/23/62/85/601236285.db2.gz SVETZSKLXSUASS-IXDOHACOSA-N -1 3 370.449 3.350 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnc(C(C)C)s1 ZINC000819745391 607499499 /nfs/dbraw/zinc/49/94/99/607499499.db2.gz AQLZXJULAAMGAP-UHFFFAOYSA-N -1 3 368.466 3.275 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc(C(C)C)s1 ZINC000819745391 607499501 /nfs/dbraw/zinc/49/95/01/607499501.db2.gz AQLZXJULAAMGAP-UHFFFAOYSA-N -1 3 368.466 3.275 20 30 FGEDHM COc1cc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC(F)F ZINC000832000550 601298482 /nfs/dbraw/zinc/29/84/82/601298482.db2.gz UUKBJIHVGLWILE-INIZCTEOSA-N -1 3 362.332 3.084 20 30 FGEDHM COc1cc(C)c([C@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000831962215 601300850 /nfs/dbraw/zinc/30/08/50/601300850.db2.gz XBUSMOBFCCMWGY-ORAYPTAESA-N -1 3 354.406 3.360 20 30 FGEDHM N#Cc1cccc([C@H](NCc2cc(F)cc(Br)c2)C(=O)[O-])c1 ZINC000833076438 601302468 /nfs/dbraw/zinc/30/24/68/601302468.db2.gz VAWSFQPKQLKRJM-HNNXBMFYSA-N -1 3 363.186 3.375 20 30 FGEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000833074396 601321218 /nfs/dbraw/zinc/32/12/18/601321218.db2.gz XELGULOUJWCPRR-PKOBYXMFSA-N -1 3 366.392 3.418 20 30 FGEDHM CN(CCOc1ccc(C#N)cc1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830791506 601904468 /nfs/dbraw/zinc/90/44/68/601904468.db2.gz DESSREVMSPPXJV-KRWDZBQOSA-N -1 3 364.323 3.112 20 30 FGEDHM CCN(C(=O)c1ccc(C#N)cc1C)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380490 607669808 /nfs/dbraw/zinc/66/98/08/607669808.db2.gz PDMKNMKVLHKRKR-CQSZACIVSA-N -1 3 360.421 3.270 20 30 FGEDHM CCN(C(=O)c1ccc(C#N)cc1C)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380490 607669809 /nfs/dbraw/zinc/66/98/09/607669809.db2.gz PDMKNMKVLHKRKR-CQSZACIVSA-N -1 3 360.421 3.270 20 30 FGEDHM CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000826847798 604221009 /nfs/dbraw/zinc/22/10/09/604221009.db2.gz NZLIXHQQLHMPGL-HYVNUMGLSA-N -1 3 371.437 3.113 20 30 FGEDHM C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)C1CCN(C(=O)[O-])CC1 ZINC000824549684 604388046 /nfs/dbraw/zinc/38/80/46/604388046.db2.gz BYNMLMBRASQMBK-OCCSQVGLSA-N -1 3 355.394 3.420 20 30 FGEDHM N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826387021 607705889 /nfs/dbraw/zinc/70/58/89/607705889.db2.gz COBSHWOCGMNJJE-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#Cc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826387021 607705890 /nfs/dbraw/zinc/70/58/90/607705890.db2.gz COBSHWOCGMNJJE-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cc2)c1 ZINC000826387280 607733814 /nfs/dbraw/zinc/73/38/14/607733814.db2.gz NLNRHNINHOVVER-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cc2)c1 ZINC000826387280 607733815 /nfs/dbraw/zinc/73/38/15/607733815.db2.gz NLNRHNINHOVVER-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)CC1 ZINC000833369174 605282359 /nfs/dbraw/zinc/28/23/59/605282359.db2.gz INTFCTXLMSZUQU-UHFFFAOYSA-N -1 3 350.394 3.078 20 30 FGEDHM Cc1nccn1-c1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822479057 606339789 /nfs/dbraw/zinc/33/97/89/606339789.db2.gz YGWDECPBWDVVEF-SREVYHEPSA-N -1 3 362.418 3.318 20 30 FGEDHM Cc1nccn1-c1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822479057 606339791 /nfs/dbraw/zinc/33/97/91/606339791.db2.gz YGWDECPBWDVVEF-SREVYHEPSA-N -1 3 362.418 3.318 20 30 FGEDHM FC(F)(F)c1cc(NN=Cc2ccc(Cl)nc2)ccc1-c1nnn[n-]1 ZINC000822723769 606370985 /nfs/dbraw/zinc/37/09/85/606370985.db2.gz NPMNYEKZYZIORP-UHFFFAOYSA-N -1 3 367.722 3.380 20 30 FGEDHM FC(F)(F)c1cc(NN=Cc2ccc(Cl)nc2)ccc1-c1nn[n-]n1 ZINC000822723769 606370986 /nfs/dbraw/zinc/37/09/86/606370986.db2.gz NPMNYEKZYZIORP-UHFFFAOYSA-N -1 3 367.722 3.380 20 30 FGEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1nc2cc(Cl)ccc2n1C ZINC000819782871 606433746 /nfs/dbraw/zinc/43/37/46/606433746.db2.gz QQEDVHBEYFYGSN-UHFFFAOYSA-N -1 3 366.816 3.243 20 30 FGEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1nc2cc(Cl)ccc2n1C ZINC000819782871 606433748 /nfs/dbraw/zinc/43/37/48/606433748.db2.gz QQEDVHBEYFYGSN-UHFFFAOYSA-N -1 3 366.816 3.243 20 30 FGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCC#Cc1ccc(Cl)cc1 ZINC000822935398 606435936 /nfs/dbraw/zinc/43/59/36/606435936.db2.gz JPUZADDNTTXTMU-FMIVXFBMSA-N -1 3 364.792 3.128 20 30 FGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCC#Cc1ccc(Cl)cc1 ZINC000822935398 606435938 /nfs/dbraw/zinc/43/59/38/606435938.db2.gz JPUZADDNTTXTMU-FMIVXFBMSA-N -1 3 364.792 3.128 20 30 FGEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819742876 606494644 /nfs/dbraw/zinc/49/46/44/606494644.db2.gz BHHPNNKGKDWOIC-UHFFFAOYSA-N -1 3 373.869 3.339 20 30 FGEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819742876 606494645 /nfs/dbraw/zinc/49/46/45/606494645.db2.gz BHHPNNKGKDWOIC-UHFFFAOYSA-N -1 3 373.869 3.339 20 30 FGEDHM COc1ccc(C=C2CCOc3cc(C)ccc3C2=O)cc1-c1nnn[n-]1 ZINC000821787605 606836271 /nfs/dbraw/zinc/83/62/71/606836271.db2.gz WBUDZGCSHUXUHL-GXDHUFHOSA-N -1 3 362.389 3.233 20 30 FGEDHM COc1ccc(C=C2CCOc3cc(C)ccc3C2=O)cc1-c1nn[n-]n1 ZINC000821787605 606836272 /nfs/dbraw/zinc/83/62/72/606836272.db2.gz WBUDZGCSHUXUHL-GXDHUFHOSA-N -1 3 362.389 3.233 20 30 FGEDHM N#Cc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000822830199 607191048 /nfs/dbraw/zinc/19/10/48/607191048.db2.gz WUDVVJBFZBGDMZ-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000822830199 607191049 /nfs/dbraw/zinc/19/10/49/607191049.db2.gz WUDVVJBFZBGDMZ-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM CC(C)(CCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000824152568 607829388 /nfs/dbraw/zinc/82/93/88/607829388.db2.gz HYTCLYDQNATDCG-UHFFFAOYSA-N -1 3 360.421 3.435 20 30 FGEDHM CC(C)(CCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000824152568 607829389 /nfs/dbraw/zinc/82/93/89/607829389.db2.gz HYTCLYDQNATDCG-UHFFFAOYSA-N -1 3 360.421 3.435 20 30 FGEDHM C#CC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000823838963 607936191 /nfs/dbraw/zinc/93/61/91/607936191.db2.gz WZBOYQVDFZATTN-ZDUSSCGKSA-N -1 3 358.327 3.457 20 30 FGEDHM C#CC[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000823838963 607936192 /nfs/dbraw/zinc/93/61/92/607936192.db2.gz WZBOYQVDFZATTN-ZDUSSCGKSA-N -1 3 358.327 3.457 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1scnc1C1CC1 ZINC000823915349 608026840 /nfs/dbraw/zinc/02/68/40/608026840.db2.gz VUIMZTIRTNFDHN-UHFFFAOYSA-N -1 3 366.450 3.029 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1scnc1C1CC1 ZINC000823915349 608026841 /nfs/dbraw/zinc/02/68/41/608026841.db2.gz VUIMZTIRTNFDHN-UHFFFAOYSA-N -1 3 366.450 3.029 20 30 FGEDHM CC(N=Nc1cccc(-c2nnn[n-]2)c1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000823958133 608053749 /nfs/dbraw/zinc/05/37/49/608053749.db2.gz DNKDGWKMBKNIMT-LBPRGKRZSA-N -1 3 365.397 3.442 20 30 FGEDHM CC(N=Nc1cccc(-c2nn[n-]n2)c1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000823958133 608053750 /nfs/dbraw/zinc/05/37/50/608053750.db2.gz DNKDGWKMBKNIMT-LBPRGKRZSA-N -1 3 365.397 3.442 20 30 FGEDHM CC(C)C[C@H](C#N)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000824228293 608496924 /nfs/dbraw/zinc/49/69/24/608496924.db2.gz HFCDNNFGYWIFSD-CQSZACIVSA-N -1 3 360.421 3.202 20 30 FGEDHM CC(C)C[C@H](C#N)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000824228293 608496926 /nfs/dbraw/zinc/49/69/26/608496926.db2.gz HFCDNNFGYWIFSD-CQSZACIVSA-N -1 3 360.421 3.202 20 30 FGEDHM Clc1ccc2c(c1)CC(N=Nc1cc(-c3nnn[n-]3)cc(Cl)n1)C2 ZINC000826352894 608539587 /nfs/dbraw/zinc/53/95/87/608539587.db2.gz RQZRJDPILQRKFC-UHFFFAOYSA-N -1 3 360.208 3.135 20 30 FGEDHM Clc1ccc2c(c1)CC(N=Nc1cc(-c3nn[n-]n3)cc(Cl)n1)C2 ZINC000826352894 608539588 /nfs/dbraw/zinc/53/95/88/608539588.db2.gz RQZRJDPILQRKFC-UHFFFAOYSA-N -1 3 360.208 3.135 20 30 FGEDHM C[C@@H](OC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000824721534 608576167 /nfs/dbraw/zinc/57/61/67/608576167.db2.gz BBJDUKMTGGHKHL-SNVBAGLBSA-N -1 3 353.769 3.310 20 30 FGEDHM C[C@@H](OC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000824721534 608576168 /nfs/dbraw/zinc/57/61/68/608576168.db2.gz BBJDUKMTGGHKHL-SNVBAGLBSA-N -1 3 353.769 3.310 20 30 FGEDHM C=CCCC[C@H](C)NC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000823894928 608588571 /nfs/dbraw/zinc/58/85/71/608588571.db2.gz ZSRCDAGJPQRTSZ-AWEZNQCLSA-N -1 3 374.514 3.144 20 30 FGEDHM C=CCCC[C@H](C)NC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000823894928 608588572 /nfs/dbraw/zinc/58/85/72/608588572.db2.gz ZSRCDAGJPQRTSZ-AWEZNQCLSA-N -1 3 374.514 3.144 20 30 FGEDHM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c(-c2cccs2)n1 ZINC000826360161 608754777 /nfs/dbraw/zinc/75/47/77/608754777.db2.gz ZGPMAMOYTKAMCS-HJWRWDBZSA-N -1 3 362.418 3.225 20 30 FGEDHM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c(-c2cccs2)n1 ZINC000826360161 608754779 /nfs/dbraw/zinc/75/47/79/608754779.db2.gz ZGPMAMOYTKAMCS-HJWRWDBZSA-N -1 3 362.418 3.225 20 30 FGEDHM C=C(C)COc1cc(CNc2ccc(-c3nn[n-]n3)cc2)ccc1OC ZINC000823878089 608865085 /nfs/dbraw/zinc/86/50/85/608865085.db2.gz OFJZRIIDPGKZKC-UHFFFAOYSA-N -1 3 351.410 3.442 20 30 FGEDHM Cc1ccc([N+](=O)[O-])cc1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826293529 608880086 /nfs/dbraw/zinc/88/00/86/608880086.db2.gz SFHQMQAZFGOEID-QPJJXVBHSA-N -1 3 353.313 3.119 20 30 FGEDHM Cc1ccc([N+](=O)[O-])cc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826293529 608880088 /nfs/dbraw/zinc/88/00/88/608880088.db2.gz SFHQMQAZFGOEID-QPJJXVBHSA-N -1 3 353.313 3.119 20 30 FGEDHM CCN(C(=O)Cc1ccccc1CC#N)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825377130 609162490 /nfs/dbraw/zinc/16/24/90/609162490.db2.gz UPUCKMGQLJFBST-OAHLLOKOSA-N -1 3 374.448 3.085 20 30 FGEDHM CCN(C(=O)Cc1ccccc1CC#N)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825377130 609162491 /nfs/dbraw/zinc/16/24/91/609162491.db2.gz UPUCKMGQLJFBST-OAHLLOKOSA-N -1 3 374.448 3.085 20 30 FGEDHM C[C@@H](C#N)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000824034192 609269352 /nfs/dbraw/zinc/26/93/52/609269352.db2.gz HUSXSZLHFOPBDJ-KFRNIWOLSA-N -1 3 363.352 3.193 20 30 FGEDHM C[C@@H](C#N)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000824034192 609269353 /nfs/dbraw/zinc/26/93/53/609269353.db2.gz HUSXSZLHFOPBDJ-KFRNIWOLSA-N -1 3 363.352 3.193 20 30 FGEDHM O=C(C=Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC000826400237 609270403 /nfs/dbraw/zinc/27/04/03/609270403.db2.gz SUMHKQODBSWROC-KXFIGUGUSA-N -1 3 373.731 3.464 20 30 FGEDHM O=C(C=Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1F ZINC000826400237 609270405 /nfs/dbraw/zinc/27/04/05/609270405.db2.gz SUMHKQODBSWROC-KXFIGUGUSA-N -1 3 373.731 3.464 20 30 FGEDHM Cn1cc(C=C2CCCC(C)(C)C2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359328 609309651 /nfs/dbraw/zinc/30/96/51/609309651.db2.gz CRGOEWAMQHAMMU-RVDMUPIBSA-N -1 3 362.437 3.430 20 30 FGEDHM Cn1cc(C=C2CCCC(C)(C)C2=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359328 609309652 /nfs/dbraw/zinc/30/96/52/609309652.db2.gz CRGOEWAMQHAMMU-RVDMUPIBSA-N -1 3 362.437 3.430 20 30 FGEDHM Cc1ccc(C#N)cc1OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826281455 609311218 /nfs/dbraw/zinc/31/12/18/609311218.db2.gz SQSHVMXSKYHFTF-UHFFFAOYSA-N -1 3 370.210 3.388 20 30 FGEDHM Cc1ccc(C#N)cc1OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826281455 609311220 /nfs/dbraw/zinc/31/12/20/609311220.db2.gz SQSHVMXSKYHFTF-UHFFFAOYSA-N -1 3 370.210 3.388 20 30 FGEDHM C=C(Cl)CNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823883038 609382167 /nfs/dbraw/zinc/38/21/67/609382167.db2.gz JBEJQMUFWIVSBT-UHFFFAOYSA-N -1 3 355.785 3.141 20 30 FGEDHM C=C(Cl)CNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823883038 609382169 /nfs/dbraw/zinc/38/21/69/609382169.db2.gz JBEJQMUFWIVSBT-UHFFFAOYSA-N -1 3 355.785 3.141 20 30 FGEDHM C[C@H](C#N)Oc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000824034785 609471301 /nfs/dbraw/zinc/47/13/01/609471301.db2.gz PEVUMGVXIQPJJG-LLVKDONJSA-N -1 3 367.800 3.257 20 30 FGEDHM C[C@H](C#N)Oc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000824034785 609471302 /nfs/dbraw/zinc/47/13/02/609471302.db2.gz PEVUMGVXIQPJJG-LLVKDONJSA-N -1 3 367.800 3.257 20 30 FGEDHM N#CCN(C(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccccc1 ZINC000011810088 695602943 /nfs/dbraw/zinc/60/29/43/695602943.db2.gz AMOOHPQBSQVGMB-UHFFFAOYSA-N -1 3 352.177 3.035 20 30 FGEDHM COC(=O)CN(Cc1ccc(C#N)s1)Cc1cc(Cl)ccc1[O-] ZINC000123218305 700701790 /nfs/dbraw/zinc/70/17/90/700701790.db2.gz MHTLITAOMVUKAB-UHFFFAOYSA-N -1 3 350.827 3.154 20 30 FGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cc2c(s1)CCOC2 ZINC000171402137 705383349 /nfs/dbraw/zinc/38/33/49/705383349.db2.gz GRHGSBMNZKFMTQ-CYBMUJFWSA-N -1 3 360.822 3.435 20 30 FGEDHM C#CCN1C(=O)c2ccccc2N[C@@H]1c1cc(O)cc(Br)c1[O-] ZINC000193511067 712893989 /nfs/dbraw/zinc/89/39/89/712893989.db2.gz CLGZFQDZGXYTMM-INIZCTEOSA-N -1 3 373.206 3.060 20 30 FGEDHM C[C@]1(C#N)CCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000618241474 714727995 /nfs/dbraw/zinc/72/79/95/714727995.db2.gz RSPQFHYLBIGRIO-QGZVFWFLSA-N -1 3 374.238 3.056 20 30 FGEDHM COc1cc(C=NN[C@H]2CCOC(C)(C)C2)cc(Br)c1[O-] ZINC000780247969 724455690 /nfs/dbraw/zinc/45/56/90/724455690.db2.gz WSRVGNBWINVXAW-NSHDSACASA-N -1 3 357.248 3.044 20 30 FGEDHM C[C@H](NCc1ccc(C#N)cn1)c1cc(Br)c(F)cc1[O-] ZINC000783300183 724745768 /nfs/dbraw/zinc/74/57/68/724745768.db2.gz JVMJOCIIPULNHY-VIFPVBQESA-N -1 3 350.191 3.411 20 30 FGEDHM Cn1cc(C=NNc2c(Br)cccc2Br)c(=O)[n-]1 ZINC000814230392 726949215 /nfs/dbraw/zinc/94/92/15/726949215.db2.gz PIIQIIPTMDRIIA-UHFFFAOYSA-N -1 3 374.036 3.097 20 30 FGEDHM O=C(C/N=C\c1cc(Br)ccc1[O-])N1CCc2ccccc2C1 ZINC000726428453 722434021 /nfs/dbraw/zinc/43/40/21/722434021.db2.gz BGKNCAKTDWBVIS-JMIUGGIZSA-N -1 3 373.250 3.159 20 30 FGEDHM Cc1cc2c(cc1C)C(=N[N-]S(=O)(=O)Cc1ccccc1)CCCO2 ZINC000733747831 722500514 /nfs/dbraw/zinc/50/05/14/722500514.db2.gz ZENSWJQPDIOJIN-UHFFFAOYSA-N -1 3 358.463 3.300 20 30 FGEDHM CCCCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NO)c2)cc1 ZINC000742824552 722560419 /nfs/dbraw/zinc/56/04/19/722560419.db2.gz QUIFTMNDONSSBT-UHFFFAOYSA-N -1 3 362.451 3.257 20 30 FGEDHM Cc1ncc(Cl)c(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)n1 ZINC000746486158 722604636 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Cc1nc(C)c(CC(=O)OCC#Cc2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000760309119 723047934 /nfs/dbraw/zinc/04/79/34/723047934.db2.gz PWNSVXZEQLUWOK-UHFFFAOYSA-N -1 3 365.216 3.243 20 30 FGEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000760517403 723061096 /nfs/dbraw/zinc/06/10/96/723061096.db2.gz NQMPMLCYDZYOGX-UHFFFAOYSA-N -1 3 374.191 3.051 20 30 FGEDHM C=CCCCOC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000795783763 723609577 /nfs/dbraw/zinc/60/95/77/723609577.db2.gz VNZDNJWKQSULBQ-UHFFFAOYSA-N -1 3 351.346 3.200 20 30 FGEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1cnc(C2CCCC2)s1 ZINC000767789046 723634282 /nfs/dbraw/zinc/63/42/82/723634282.db2.gz SQWSHOJSJBWNFN-UHFFFAOYSA-N -1 3 363.508 3.297 20 30 FGEDHM N#Cc1cc(C(=O)OCc2noc(-c3ccccc3[O-])n2)ccc1Cl ZINC000784686266 724872549 /nfs/dbraw/zinc/87/25/49/724872549.db2.gz FSHUXVRCLVTEKT-UHFFFAOYSA-N -1 3 355.737 3.324 20 30 FGEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc2sccc2c([O-])c1 ZINC000786139432 724962681 /nfs/dbraw/zinc/96/26/81/724962681.db2.gz HDFOCKGNSMDFFQ-BBATYDOGSA-N -1 3 360.435 3.207 20 30 FGEDHM O=c1nc(C=N[O-])ccn1Cc1cccc(SCc2ccccc2)c1 ZINC000808258007 725190232 /nfs/dbraw/zinc/19/02/32/725190232.db2.gz SDOIPAYWCNEVBG-UHFFFAOYSA-N -1 3 351.431 3.392 20 30 FGEDHM COc1ccc(C(=O)[C@H](C)OC(=O)c2cc([O-])cc(C#N)c2)cc1Cl ZINC000811188821 725349781 /nfs/dbraw/zinc/34/97/81/725349781.db2.gz YWNZQJDAXABTGM-JTQLQIEISA-N -1 3 359.765 3.354 20 30 FGEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1cccnc1Cl ZINC000814741691 726996687 /nfs/dbraw/zinc/99/66/87/726996687.db2.gz KYAWWBIWGGPJIC-ZDUSSCGKSA-N -1 3 373.825 3.010 20 30 FGEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000816752721 727192943 /nfs/dbraw/zinc/19/29/43/727192943.db2.gz MNAGRQAYHOBNJZ-IRXDYDNUSA-N -1 3 356.447 3.016 20 30 FGEDHM COc1cc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1SC ZINC000826177063 729405974 /nfs/dbraw/zinc/40/59/74/729405974.db2.gz PZQAOPUXNGMMMN-CLFYSBASSA-N -1 3 352.419 3.493 20 30 FGEDHM COc1cc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1SC ZINC000826177063 729405977 /nfs/dbraw/zinc/40/59/77/729405977.db2.gz PZQAOPUXNGMMMN-CLFYSBASSA-N -1 3 352.419 3.493 20 30 FGEDHM O=C(C#Cc1cccs1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000827311166 729428590 /nfs/dbraw/zinc/42/85/90/729428590.db2.gz WGQXJIRZDQTRJN-MRXNPFEDSA-N -1 3 374.893 3.239 20 30 FGEDHM N#Cc1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000831948837 729677784 /nfs/dbraw/zinc/67/77/84/729677784.db2.gz HATUBXCLLRNTHW-GWCFXTLKSA-N -1 3 364.364 3.487 20 30 FGEDHM C=C(CC)C[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000832634739 729723806 /nfs/dbraw/zinc/72/38/06/729723806.db2.gz SUXHNQCIONLBRA-UHFFFAOYSA-N -1 3 352.239 3.025 20 30 FGEDHM C#C[C@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1ccc(Br)cc1 ZINC000833226527 729743668 /nfs/dbraw/zinc/74/36/68/729743668.db2.gz ZVVOPXRTZXOOQX-AWEZNQCLSA-N -1 3 372.209 3.302 20 30 FGEDHM CCOc1cc(C=NN[C@@H]2CCOC2(C)C)cc(Br)c1[O-] ZINC000835013655 729849818 /nfs/dbraw/zinc/84/98/18/729849818.db2.gz FXMQIUNKOFQZOI-CYBMUJFWSA-N -1 3 357.248 3.044 20 30 FGEDHM Cc1csc(C(C#N)=C([O-])c2cc(F)c(N3CCOCC3)c(F)c2)n1 ZINC000835034312 729851669 /nfs/dbraw/zinc/85/16/69/729851669.db2.gz ADYJWVCOMADLEJ-LBPRGKRZSA-N -1 3 363.389 3.056 20 30 FGEDHM CCn1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)n1 ZINC000842684839 730530278 /nfs/dbraw/zinc/53/02/78/730530278.db2.gz PCHSUCWFSRMNLV-LBPRGKRZSA-N -1 3 364.377 3.179 20 30 FGEDHM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000859423707 732326792 /nfs/dbraw/zinc/32/67/92/732326792.db2.gz JGWINBJQBDXKNH-LLVKDONJSA-N -1 3 369.792 3.066 20 30 FGEDHM CCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1 ZINC000860473020 732519118 /nfs/dbraw/zinc/51/91/18/732519118.db2.gz HMYCSTMQGOHUHP-LLVKDONJSA-N -1 3 365.220 3.479 20 30 FGEDHM CCCCC1N=NC(=S)N1N=Cc1c([O-])cccc1Br ZINC000863069416 732913191 /nfs/dbraw/zinc/91/31/91/732913191.db2.gz ZVHUNYLZATXMPQ-UHFFFAOYSA-N -1 3 355.261 3.260 20 30 FGEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@@H]2c3ccccc3CC[C@H]2F)c1 ZINC000882807661 737493880 /nfs/dbraw/zinc/49/38/80/737493880.db2.gz CCFRNMTYMSCWBG-QZTJIDSGSA-N -1 3 362.401 3.142 20 30 FGEDHM CN(CC(=O)N([O-])Cc1cccc2ccccc21)C(=O)c1cccs1 ZINC000901370229 743261217 /nfs/dbraw/zinc/26/12/17/743261217.db2.gz BSGKLIYLEOJTFN-UHFFFAOYSA-N -1 3 354.431 3.391 20 30 FGEDHM O=C(c1cc2c(c(Br)c1)OCO2)N([O-])Cc1ccc(F)cc1 ZINC000901374913 743261741 /nfs/dbraw/zinc/26/17/41/743261741.db2.gz WOJSCHGXEACEEI-UHFFFAOYSA-N -1 3 368.158 3.349 20 30 FGEDHM O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N([O-])Cc1ccc(F)cc1 ZINC000901376615 743262800 /nfs/dbraw/zinc/26/28/00/743262800.db2.gz WCJFRBRFKOVBOG-ZDUSSCGKSA-N -1 3 362.788 3.250 20 30 FGEDHM CN(C)C(=O)N1CCC(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000901380311 743263999 /nfs/dbraw/zinc/26/39/99/743263999.db2.gz SVKMMGWEZOKHOS-UHFFFAOYSA-N -1 3 374.268 3.105 20 30 FGEDHM N#Cc1cc2c(nc1[N-]C(=O)c1cnc(Br)s1)CCCC2 ZINC000904163994 743934760 /nfs/dbraw/zinc/93/47/60/743934760.db2.gz DIGQCSOHGQWNRE-UHFFFAOYSA-N -1 3 363.240 3.303 20 30 FGEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccc2[nH]c(=O)oc2c1 ZINC000920110048 758512295 /nfs/dbraw/zinc/51/22/95/758512295.db2.gz YADWRRWIDFAORF-JTQLQIEISA-N -1 3 355.737 3.148 20 30 FGEDHM O=C(COc1ccc(Br)cc1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000036714193 208171861 /nfs/dbraw/zinc/17/18/61/208171861.db2.gz JJNQIASGNUYNBI-UHFFFAOYSA-N -1 3 365.109 3.253 20 30 FGEDHM O=C(COc1ccc(Br)cc1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000036714193 208171868 /nfs/dbraw/zinc/17/18/68/208171868.db2.gz JJNQIASGNUYNBI-UHFFFAOYSA-N -1 3 365.109 3.253 20 30 FGEDHM N#Cc1cc(NC(=O)c2n[n-]nc2-c2ccccc2)ccc1OC(F)(F)F ZINC000568054841 505604565 /nfs/dbraw/zinc/60/45/65/505604565.db2.gz LQFYIEPKWUGCDZ-UHFFFAOYSA-N -1 3 373.294 3.494 20 30 FGEDHM CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1 ZINC000568352230 505672290 /nfs/dbraw/zinc/67/22/90/505672290.db2.gz NUWRUFOLDZFYHD-CQSZACIVSA-N -1 3 359.289 3.197 20 30 FGEDHM [O-]c1ccccc1C=NN1C(=S)N=NC1c1cc(-c2ccccc2)n[nH]1 ZINC000028381519 493787752 /nfs/dbraw/zinc/78/77/52/493787752.db2.gz HFDNJTZHUQQBDF-YBFXNURJSA-N -1 3 362.418 3.212 20 30 FGEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)cc1 ZINC000029329485 493833815 /nfs/dbraw/zinc/83/38/15/493833815.db2.gz PNTGAUQFNSVTPQ-UHFFFAOYSA-N -1 3 359.451 3.412 20 30 FGEDHM N#CC(=C([O-])c1ccc(Br)cc1)c1nnc2n1CCCCC2 ZINC000060851045 493957032 /nfs/dbraw/zinc/95/70/32/493957032.db2.gz UEEKBHYSQJCHBI-CYBMUJFWSA-N -1 3 359.227 3.257 20 30 FGEDHM COc1ccc(Br)c(C(=O)Nc2nnc(-c3ccccn3)[n-]2)c1 ZINC000064372453 494117441 /nfs/dbraw/zinc/11/74/41/494117441.db2.gz KUYNTTMJZPABEV-UHFFFAOYSA-N -1 3 374.198 3.274 20 30 FGEDHM COc1ccc(Br)c(C(=O)Nc2nc(-c3ccccn3)n[n-]2)c1 ZINC000064372453 494117444 /nfs/dbraw/zinc/11/74/44/494117444.db2.gz KUYNTTMJZPABEV-UHFFFAOYSA-N -1 3 374.198 3.274 20 30 FGEDHM COc1ccc(Br)c(C(=O)Nc2n[n-]c(-c3ccccn3)n2)c1 ZINC000064372453 494117446 /nfs/dbraw/zinc/11/74/46/494117446.db2.gz KUYNTTMJZPABEV-UHFFFAOYSA-N -1 3 374.198 3.274 20 30 FGEDHM CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)ccc1C ZINC000088547107 494248989 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ZINC000737704829 599200690 /nfs/dbraw/zinc/20/06/90/599200690.db2.gz KRKGSKGDZOZXGJ-ZZXKWVIFSA-N -1 3 356.798 3.105 20 30 FGEDHM N#Cc1cc(NC(=O)C=Cc2ccc(Cl)s2)ccc1-c1nn[n-]n1 ZINC000737704829 599200691 /nfs/dbraw/zinc/20/06/91/599200691.db2.gz KRKGSKGDZOZXGJ-ZZXKWVIFSA-N -1 3 356.798 3.105 20 30 FGEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819745749 607284439 /nfs/dbraw/zinc/28/44/39/607284439.db2.gz QZFSIPNTJZWMKX-UHFFFAOYSA-N -1 3 373.420 3.267 20 30 FGEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819745749 607284440 /nfs/dbraw/zinc/28/44/40/607284440.db2.gz QZFSIPNTJZWMKX-UHFFFAOYSA-N -1 3 373.420 3.267 20 30 FGEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1C(F)(F)F ZINC000736821343 598274970 /nfs/dbraw/zinc/27/49/70/598274970.db2.gz DJPCCYRTGDIRBG-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1C(F)(F)F ZINC000736821343 598274972 /nfs/dbraw/zinc/27/49/72/598274972.db2.gz DJPCCYRTGDIRBG-UHFFFAOYSA-N -1 3 358.327 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Cc1cc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c(C)s1 ZINC000737230115 599460801 /nfs/dbraw/zinc/46/08/01/599460801.db2.gz DGHRWBIBGIQENL-PLNGDYQASA-N -1 3 350.407 3.089 20 30 FGEDHM Cc1cc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c(C)s1 ZINC000737230115 599460804 /nfs/dbraw/zinc/46/08/04/599460804.db2.gz DGHRWBIBGIQENL-PLNGDYQASA-N -1 3 350.407 3.089 20 30 FGEDHM Cc1cc(C)c(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1C ZINC000737241415 599461147 /nfs/dbraw/zinc/46/11/47/599461147.db2.gz QCFZJDMTMSEWOO-AATRIKPKSA-N -1 3 358.405 3.336 20 30 FGEDHM Cc1cc(C)c(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1C ZINC000737241415 599461149 /nfs/dbraw/zinc/46/11/49/599461149.db2.gz QCFZJDMTMSEWOO-AATRIKPKSA-N -1 3 358.405 3.336 20 30 FGEDHM Fc1ccc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(-c2nnn[n-]2)c1 ZINC000822778497 599562252 /nfs/dbraw/zinc/56/22/52/599562252.db2.gz JHKKGNZBEDCPAR-UHFFFAOYSA-N -1 3 369.244 3.327 20 30 FGEDHM Fc1ccc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)c(-c2nn[n-]n2)c1 ZINC000822778497 599562254 /nfs/dbraw/zinc/56/22/54/599562254.db2.gz JHKKGNZBEDCPAR-UHFFFAOYSA-N -1 3 369.244 3.327 20 30 FGEDHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820939750 599631942 /nfs/dbraw/zinc/63/19/42/599631942.db2.gz XPOVDSVXCYVPLZ-VMGRFDJRSA-N -1 3 368.441 3.051 20 30 FGEDHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820939750 599631943 /nfs/dbraw/zinc/63/19/43/599631943.db2.gz XPOVDSVXCYVPLZ-VMGRFDJRSA-N -1 3 368.441 3.051 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1C(F)(F)F ZINC000822829711 599633973 /nfs/dbraw/zinc/63/39/73/599633973.db2.gz FORLDTFYQCLYDG-UHFFFAOYSA-N -1 3 358.283 3.009 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1C(F)(F)F ZINC000822829711 599633974 /nfs/dbraw/zinc/63/39/74/599633974.db2.gz FORLDTFYQCLYDG-UHFFFAOYSA-N -1 3 358.283 3.009 20 30 FGEDHM C=CCC[C@H](NC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819733843 607404734 /nfs/dbraw/zinc/40/47/34/607404734.db2.gz CENRPNYIPNZDJM-SFHVURJKSA-N -1 3 363.421 3.069 20 30 FGEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCN(C)C(=O)[O-])cc1 ZINC000736890606 599911465 /nfs/dbraw/zinc/91/14/65/599911465.db2.gz CYCIYVYBENOLBX-XJKSGUPXSA-N -1 3 359.426 3.237 20 30 FGEDHM CCN(CC)c1ccc(/C=[NH+]/Cc2cccc(OCC(=O)[O-])c2)c([O-])c1 ZINC000737089490 600567121 /nfs/dbraw/zinc/56/71/21/600567121.db2.gz XFJISSBWWNCJCM-FYJGNVAPSA-N -1 3 356.422 3.321 20 30 FGEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000739105005 600572654 /nfs/dbraw/zinc/57/26/54/600572654.db2.gz IORGTFJGCVQMQW-HKUYNNGSSA-N -1 3 366.392 3.418 20 30 FGEDHM C=CCc1cc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc(OC)c1OC ZINC000736114741 600596750 /nfs/dbraw/zinc/59/67/50/600596750.db2.gz PPVCGZXFVRCUGN-LJQANCHMSA-N -1 3 366.417 3.219 20 30 FGEDHM COc1cc(F)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000821720479 607459617 /nfs/dbraw/zinc/45/96/17/607459617.db2.gz SLVFRGLCGXFVAY-WAYWQWQTSA-N -1 3 372.331 3.058 20 30 FGEDHM COc1cc(F)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1OC 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CCCCCCCCc1nnc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)s1 ZINC000821055780 606252510 /nfs/dbraw/zinc/25/25/10/606252510.db2.gz GFOUTKAIWXOCFQ-UHFFFAOYSA-N -1 3 374.474 3.202 20 30 FGEDHM CCCCCCCCc1nnc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)s1 ZINC000821055780 606252512 /nfs/dbraw/zinc/25/25/12/606252512.db2.gz GFOUTKAIWXOCFQ-UHFFFAOYSA-N -1 3 374.474 3.202 20 30 FGEDHM COc1cc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821708222 606392141 /nfs/dbraw/zinc/39/21/41/606392141.db2.gz LUMBZTMBQUXKOQ-GQCTYLIASA-N -1 3 356.407 3.150 20 30 FGEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819857729 606508869 /nfs/dbraw/zinc/50/88/69/606508869.db2.gz URHNGPQXNKOOLG-JTQLQIEISA-N -1 3 370.463 3.432 20 30 FGEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819857729 606508871 /nfs/dbraw/zinc/50/88/71/606508871.db2.gz URHNGPQXNKOOLG-JTQLQIEISA-N -1 3 370.463 3.432 20 30 FGEDHM Clc1ccccc1N=C1NN=C(c2ccc(-c3nnn[n-]3)cc2)CS1 ZINC000822591130 606632130 /nfs/dbraw/zinc/63/21/30/606632130.db2.gz RNWVZIUFEXFGGK-UHFFFAOYSA-N -1 3 369.841 3.248 20 30 FGEDHM Clc1ccccc1N=C1NN=C(c2ccc(-c3nn[n-]n3)cc2)CS1 ZINC000822591130 606632132 /nfs/dbraw/zinc/63/21/32/606632132.db2.gz RNWVZIUFEXFGGK-UHFFFAOYSA-N -1 3 369.841 3.248 20 30 FGEDHM CC(=NNc1cccc(-c2nn[nH]n2)c1)c1ccc(Br)cc1[O-] ZINC000819772662 606765867 /nfs/dbraw/zinc/76/58/67/606765867.db2.gz IRPLPMOVGLJQEQ-UHFFFAOYSA-N -1 3 373.214 3.171 20 30 FGEDHM Cc1c2c(nc(SCc3ccc(F)c(-c4nnn[n-]4)c3)c1C#N)CCC2 ZINC000822016369 607006509 /nfs/dbraw/zinc/00/65/09/607006509.db2.gz YRTCYVZCODIGMS-UHFFFAOYSA-N -1 3 366.425 3.362 20 30 FGEDHM Cc1c2c(nc(SCc3ccc(F)c(-c4nn[n-]n4)c3)c1C#N)CCC2 ZINC000822016369 607006510 /nfs/dbraw/zinc/00/65/10/607006510.db2.gz YRTCYVZCODIGMS-UHFFFAOYSA-N -1 3 366.425 3.362 20 30 FGEDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCc2ccccc2C(C)(C)C#N)n1 ZINC000822427617 607161245 /nfs/dbraw/zinc/16/12/45/607161245.db2.gz QYTMFBAFMBZRII-UHFFFAOYSA-N -1 3 365.466 3.367 20 30 FGEDHM Cc1nc(C)c(-c2nn[n-]n2)c(SCc2ccccc2C(C)(C)C#N)n1 ZINC000822427617 607161246 /nfs/dbraw/zinc/16/12/46/607161246.db2.gz QYTMFBAFMBZRII-UHFFFAOYSA-N -1 3 365.466 3.367 20 30 FGEDHM N#CCc1ccc(NC(=O)c2c(Cl)cc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826382725 607833317 /nfs/dbraw/zinc/83/33/17/607833317.db2.gz RTWBYRXUOTWVQN-UHFFFAOYSA-N -1 3 373.203 3.492 20 30 FGEDHM N#CCc1ccc(NC(=O)c2c(Cl)cc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826382725 607833318 /nfs/dbraw/zinc/83/33/18/607833318.db2.gz RTWBYRXUOTWVQN-UHFFFAOYSA-N -1 3 373.203 3.492 20 30 FGEDHM FC(F)(F)c1cnc(N=NCc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000826369057 607882368 /nfs/dbraw/zinc/88/23/68/607882368.db2.gz KXWMMFDDVPTERI-UHFFFAOYSA-N -1 3 367.722 3.380 20 30 FGEDHM FC(F)(F)c1cnc(N=NCc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000826369057 607882369 /nfs/dbraw/zinc/88/23/69/607882369.db2.gz KXWMMFDDVPTERI-UHFFFAOYSA-N -1 3 367.722 3.380 20 30 FGEDHM COc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000826169566 608367360 /nfs/dbraw/zinc/36/73/60/608367360.db2.gz XAWFCITULCRSHR-OALUTQOASA-N -1 3 374.448 3.147 20 30 FGEDHM N#Cc1ccc(C2=CCN(c3ncc(-c4nnn[n-]4)cc3Cl)CC2)cc1 ZINC000826385152 608442741 /nfs/dbraw/zinc/44/27/41/608442741.db2.gz ZODPCYAWKKOAMC-UHFFFAOYSA-N -1 3 363.812 3.080 20 30 FGEDHM N#Cc1ccc(C2=CCN(c3ncc(-c4nn[n-]n4)cc3Cl)CC2)cc1 ZINC000826385152 608442742 /nfs/dbraw/zinc/44/27/42/608442742.db2.gz ZODPCYAWKKOAMC-UHFFFAOYSA-N -1 3 363.812 3.080 20 30 FGEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cc2ccccc2o1 ZINC000823954051 608537929 /nfs/dbraw/zinc/53/79/29/608537929.db2.gz WWTJLDWUNOIXHY-UHFFFAOYSA-N -1 3 353.773 3.497 20 30 FGEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cc2ccccc2o1 ZINC000823954051 608537930 /nfs/dbraw/zinc/53/79/30/608537930.db2.gz WWTJLDWUNOIXHY-UHFFFAOYSA-N -1 3 353.773 3.497 20 30 FGEDHM CCc1nc(C)c(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)s1 ZINC000825746500 608540324 /nfs/dbraw/zinc/54/03/24/608540324.db2.gz XHKZGBSXODPRGK-UHFFFAOYSA-N -1 3 362.850 3.079 20 30 FGEDHM CCc1nc(C)c(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)s1 ZINC000825746500 608540326 /nfs/dbraw/zinc/54/03/26/608540326.db2.gz XHKZGBSXODPRGK-UHFFFAOYSA-N -1 3 362.850 3.079 20 30 FGEDHM C=CCN(Cc1cnc(C2CC2)s1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914137 608631111 /nfs/dbraw/zinc/63/11/11/608631111.db2.gz BEFMFROCICKATH-UHFFFAOYSA-N -1 3 352.467 3.389 20 30 FGEDHM CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823963048 609159727 /nfs/dbraw/zinc/15/97/27/609159727.db2.gz UJLXHXNFPXREPC-UHFFFAOYSA-N -1 3 355.333 3.059 20 30 FGEDHM CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823963048 609159728 /nfs/dbraw/zinc/15/97/28/609159728.db2.gz UJLXHXNFPXREPC-UHFFFAOYSA-N -1 3 355.333 3.059 20 30 FGEDHM C[C@H](C#N)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000824034199 609269413 /nfs/dbraw/zinc/26/94/13/609269413.db2.gz HUSXSZLHFOPBDJ-TWLAMCEISA-N -1 3 363.352 3.193 20 30 FGEDHM C[C@H](C#N)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000824034199 609269415 /nfs/dbraw/zinc/26/94/15/609269415.db2.gz HUSXSZLHFOPBDJ-TWLAMCEISA-N -1 3 363.352 3.193 20 30 FGEDHM O=C(C=Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400074 609270788 /nfs/dbraw/zinc/27/07/88/609270788.db2.gz OEEXWTAMVSTPSE-QHHAFSJGSA-N -1 3 373.731 3.464 20 30 FGEDHM O=C(C=Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400074 609270790 /nfs/dbraw/zinc/27/07/90/609270790.db2.gz OEEXWTAMVSTPSE-QHHAFSJGSA-N -1 3 373.731 3.464 20 30 FGEDHM O=C(C=Cc1nccn1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402805 609273017 /nfs/dbraw/zinc/27/30/17/609273017.db2.gz CECZUOHTXNXPSW-HJWRWDBZSA-N -1 3 374.379 3.147 20 30 FGEDHM O=C(C=Cc1nccn1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402805 609273018 /nfs/dbraw/zinc/27/30/18/609273018.db2.gz CECZUOHTXNXPSW-HJWRWDBZSA-N -1 3 374.379 3.147 20 30 FGEDHM Cc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826281235 609309334 /nfs/dbraw/zinc/30/93/34/609309334.db2.gz KFPCIKQTHSTFMN-HJWRWDBZSA-N -1 3 360.377 3.065 20 30 FGEDHM Cc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826281235 609309336 /nfs/dbraw/zinc/30/93/36/609309336.db2.gz KFPCIKQTHSTFMN-HJWRWDBZSA-N -1 3 360.377 3.065 20 30 FGEDHM N#Cc1ccc(SCc2ccc(-c3nnn[n-]3)cc2Br)nc1 ZINC000826386094 609310252 /nfs/dbraw/zinc/31/02/52/609310252.db2.gz ORYFRNQCWZEFBS-UHFFFAOYSA-N -1 3 373.239 3.188 20 30 FGEDHM N#Cc1ccc(SCc2ccc(-c3nn[n-]n3)cc2Br)nc1 ZINC000826386094 609310253 /nfs/dbraw/zinc/31/02/53/609310253.db2.gz ORYFRNQCWZEFBS-UHFFFAOYSA-N -1 3 373.239 3.188 20 30 FGEDHM CC(C)(C#N)CCCNc1ccn(-c2ccc(Cl)cc2-c2nnn[n-]2)n1 ZINC000824059143 609445098 /nfs/dbraw/zinc/44/50/98/609445098.db2.gz NPCHFRZVFOXBNM-UHFFFAOYSA-N -1 3 370.848 3.448 20 30 FGEDHM CC(C)(C#N)CCCNc1ccn(-c2ccc(Cl)cc2-c2nn[n-]n2)n1 ZINC000824059143 609445099 /nfs/dbraw/zinc/44/50/99/609445099.db2.gz NPCHFRZVFOXBNM-UHFFFAOYSA-N -1 3 370.848 3.448 20 30 FGEDHM CC(C)(C#N)CCCNc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000824058869 609445511 /nfs/dbraw/zinc/44/55/11/609445511.db2.gz GMFJTFRWMKOPRS-UHFFFAOYSA-N -1 3 370.848 3.448 20 30 FGEDHM C[C@@H](C#N)Oc1ccccc1NCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000824035240 609512273 /nfs/dbraw/zinc/51/22/73/609512273.db2.gz UYJCVQDRAVXRIH-AWEZNQCLSA-N -1 3 364.409 3.039 20 30 FGEDHM N#Cc1ccccc1C=CC(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826387052 609617919 /nfs/dbraw/zinc/61/79/19/609617919.db2.gz DPAOQDGRPVFRLJ-VURMDHGXSA-N -1 3 365.780 3.148 20 30 FGEDHM N#Cc1ccccc1C=CC(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826387052 609617921 /nfs/dbraw/zinc/61/79/21/609617921.db2.gz DPAOQDGRPVFRLJ-VURMDHGXSA-N -1 3 365.780 3.148 20 30 FGEDHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(C#N)cc3)nc(=O)c2c1C ZINC000004485760 695543513 /nfs/dbraw/zinc/54/35/13/695543513.db2.gz PULHTPGDXAQLLV-SNVBAGLBSA-N -1 3 353.403 3.391 20 30 FGEDHM CCOc1cc(/C=C/C(=O)c2cnn(C)c2)cc(Br)c1[O-] ZINC000068395793 695940371 /nfs/dbraw/zinc/94/03/71/695940371.db2.gz MISWCTUEJOXALJ-SNAWJCMRSA-N -1 3 351.200 3.183 20 30 FGEDHM Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000097110222 700461143 /nfs/dbraw/zinc/46/11/43/700461143.db2.gz 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C=C[C@@H](C)O[N-]C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000846552198 730962522 /nfs/dbraw/zinc/96/25/22/730962522.db2.gz ZULKIHRQTWGFTQ-YPMHNXCESA-N -1 3 371.264 3.468 20 30 FGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC[C@@H]1CC1(Cl)Cl ZINC000856749455 732053800 /nfs/dbraw/zinc/05/38/00/732053800.db2.gz GURRDVUAYQRPJS-MRVPVSSYSA-N -1 3 353.658 3.074 20 30 FGEDHM N#Cc1c(F)cccc1S(=O)(=O)[N-]CC1(C(F)(F)F)CCCC1 ZINC000859392968 732321718 /nfs/dbraw/zinc/32/17/18/732321718.db2.gz MEJQBKBUFXHDQA-UHFFFAOYSA-N -1 3 350.337 3.098 20 30 FGEDHM N#C[C@H]1CNCC12CC(C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)C2 ZINC000884321554 737655160 /nfs/dbraw/zinc/65/51/60/737655160.db2.gz RMZPVMSDZFJVHY-IYJONILWSA-N -1 3 374.655 3.430 20 30 FGEDHM CC(C)Cn1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000892498633 740007662 /nfs/dbraw/zinc/00/76/62/740007662.db2.gz KYYIGEDXNOHIOS-GFCCVEGCSA-N -1 3 362.792 3.293 20 30 FGEDHM CO[C@@H](C)c1nc(C[N-]C(=O)C(F)(F)c2ccccc2C#N)cs1 ZINC000900985617 743210030 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CSCc1noc(CCC(=O)N([O-])Cc2cccc3ccccc32)n1 ZINC000904171340 743935210 /nfs/dbraw/zinc/93/52/10/743935210.db2.gz NHJHPPHOLAPTET-UHFFFAOYSA-N -1 3 357.435 3.436 20 30 FGEDHM O=C1Nc2cc([O-])ccc2C1=NNc1ccc(F)cc1Br ZINC000915959252 758011967 /nfs/dbraw/zinc/01/19/67/758011967.db2.gz AQWWEWCMVIMHLB-UHFFFAOYSA-N -1 3 350.147 3.062 20 30 FGEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)Cc2ccc(Br)cc2)c1[O-] ZINC000915978114 758015331 /nfs/dbraw/zinc/01/53/31/758015331.db2.gz BDCHQAWEKDTNDL-LOMXTUQMSA-N -1 3 363.255 3.401 20 30 FGEDHM COc1ccc(CNC(=S)NN=C(C)c2cc(Cl)ccc2[O-])cc1 ZINC000916283365 758064310 /nfs/dbraw/zinc/06/43/10/758064310.db2.gz XMHFGJBAURJIOB-UHFFFAOYSA-N -1 3 363.870 3.443 20 30 FGEDHM Cc1cccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)c1 ZINC000916321446 758071222 /nfs/dbraw/zinc/07/12/22/758071222.db2.gz ZOLQLEYBWHVWRL-MRXNPFEDSA-N -1 3 352.419 3.270 20 30 FGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(OC(F)F)cc1 ZINC000920383722 758546148 /nfs/dbraw/zinc/54/61/48/758546148.db2.gz 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C=CCOc1ccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)cc1 ZINC000430116211 500195008 /nfs/dbraw/zinc/19/50/08/500195008.db2.gz XFNFHIJAZZWBBJ-UHFFFAOYSA-N -1 3 372.222 3.336 20 30 FGEDHM CC(C)([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(Cl)c(Cl)c1 ZINC000428242320 500485850 /nfs/dbraw/zinc/48/58/50/500485850.db2.gz SIPCISNDSGMSPJ-UHFFFAOYSA-N -1 3 370.261 3.474 20 30 FGEDHM CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc2c(c1[O-])CCCC2 ZINC000436938483 500575301 /nfs/dbraw/zinc/57/53/01/500575301.db2.gz LRTAQUBIUWSEDW-UHFFFAOYSA-N -1 3 364.445 3.431 20 30 FGEDHM N#CC(=C([O-])c1ccccc1Cn1cncn1)c1ccc(C(F)(F)F)cn1 ZINC000442630365 500606415 /nfs/dbraw/zinc/60/64/15/500606415.db2.gz XMFXXEAJRYOAQD-OAHLLOKOSA-N -1 3 371.322 3.230 20 30 FGEDHM CC(C)c1ccc2ncc(C#N)c(NCc3nnc(C(F)(F)F)[n-]3)c2c1 ZINC000447688659 500646011 /nfs/dbraw/zinc/64/60/11/500646011.db2.gz YOHVKOGWULAHAK-UHFFFAOYSA-N -1 3 360.343 3.401 20 30 FGEDHM CC(C)c1ccc2ncc(C#N)c(NCc3n[n-]c(C(F)(F)F)n3)c2c1 ZINC000447688659 500646012 /nfs/dbraw/zinc/64/60/12/500646012.db2.gz 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Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc([O-])cc2Cl)no1 ZINC000445449979 500988105 /nfs/dbraw/zinc/98/81/05/500988105.db2.gz XAHZBPHVILHUCO-UHFFFAOYSA-N -1 3 370.796 3.470 20 30 FGEDHM C=CCC[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccccc1 ZINC000435726546 501018219 /nfs/dbraw/zinc/01/82/19/501018219.db2.gz QNKUQDKBCHLVAA-GOSISDBHSA-N -1 3 358.463 3.495 20 30 FGEDHM Cc1cccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1[O-] ZINC000436559263 501156878 /nfs/dbraw/zinc/15/68/78/501156878.db2.gz UEUHUXOFHUEAHN-HNNXBMFYSA-N -1 3 353.397 3.110 20 30 FGEDHM C=CCN(C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1)C1CC1 ZINC000436560245 501157194 /nfs/dbraw/zinc/15/71/94/501157194.db2.gz AMZFOHCHPMNDCF-FQEVSTJZSA-N -1 3 364.445 3.430 20 30 FGEDHM Cc1c(Cl)cnc(NC2CCN(C(=O)c3ccccc3[O-])CC2)c1C#N ZINC000436837428 501219164 /nfs/dbraw/zinc/21/91/64/501219164.db2.gz OQIKPBJBMBTHET-UHFFFAOYSA-N -1 3 370.840 3.337 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC2(F)F)c(C(F)(F)F)c1 ZINC000451824435 501380816 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FGEDHM N#C[C@H](NC(=O)c1csc(=O)[n-]1)c1ccc(OCc2ccccc2)cc1 ZINC000472017558 502200381 /nfs/dbraw/zinc/20/03/81/502200381.db2.gz LSXIMQPJWYAAHP-INIZCTEOSA-N -1 3 365.414 3.422 20 30 FGEDHM CCc1nc(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)sc1C ZINC000475770059 502285748 /nfs/dbraw/zinc/28/57/48/502285748.db2.gz QIVUEELEABDLAJ-UHFFFAOYSA-N -1 3 369.899 3.060 20 30 FGEDHM Cc1nc([N-]C(=O)c2cc(-c3ccccn3)no2)sc1SCC#N ZINC000462108492 502310019 /nfs/dbraw/zinc/31/00/19/502310019.db2.gz AXSLKAWCXOKCTC-UHFFFAOYSA-N -1 3 357.420 3.370 20 30 FGEDHM N#CC(=C([O-])c1c[nH]c(C(=O)N2CCCC2)c1)c1nccc2ccccc21 ZINC000483198812 502312032 /nfs/dbraw/zinc/31/20/32/502312032.db2.gz MADSAGVFWKGKEX-QGZVFWFLSA-N -1 3 358.401 3.289 20 30 FGEDHM N#CC(=C([O-])c1c[nH]c(C(=O)N2CCCC2)c1)c1nccc2ccccc21 ZINC000483198811 502312225 /nfs/dbraw/zinc/31/22/25/502312225.db2.gz MADSAGVFWKGKEX-KRWDZBQOSA-N -1 3 358.401 3.289 20 30 FGEDHM N#CC(=C([O-])c1ccccc1SCC(N)=O)c1nccc2ccccc21 ZINC000483220907 502317469 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CC(C)c1scnc1C(=O)[N-]c1ncn(Cc2ccc(C#N)cc2)n1 ZINC000589441809 506550040 /nfs/dbraw/zinc/55/00/40/506550040.db2.gz QPJILESAGACZEX-UHFFFAOYSA-N -1 3 352.423 3.030 20 30 FGEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1)c1ccc(C)o1 ZINC000593558068 506684059 /nfs/dbraw/zinc/68/40/59/506684059.db2.gz RHCKXTNHIXYGRG-MRXNPFEDSA-N -1 3 362.451 3.055 20 30 FGEDHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2cccc(C#N)c2)c1 ZINC000610339314 507201448 /nfs/dbraw/zinc/20/14/48/507201448.db2.gz PMUUEBFLWILVFH-LLVKDONJSA-N -1 3 350.827 3.260 20 30 FGEDHM CCOc1ccc(C#N)cc1[N-]C(=O)c1noc(-c2cccc(F)c2)n1 ZINC000610424338 507234931 /nfs/dbraw/zinc/23/49/31/507234931.db2.gz NACXANXLRVDLON-UHFFFAOYSA-N -1 3 352.325 3.398 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]CC1CC(F)(F)C1 ZINC000594775740 507277251 /nfs/dbraw/zinc/27/72/51/507277251.db2.gz HLIWRIHNHLLREJ-UHFFFAOYSA-N -1 3 356.419 3.405 20 30 FGEDHM N#CC1(CNC(=O)Cc2ccc(Br)cc2[O-])CCCCC1 ZINC000598313441 507374932 /nfs/dbraw/zinc/37/49/32/507374932.db2.gz JWUFCJLVWIWMSB-UHFFFAOYSA-N -1 3 351.244 3.287 20 30 FGEDHM N#Cc1cnc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2OC(F)F)c(Cl)c1 ZINC000610899635 507436739 /nfs/dbraw/zinc/43/67/39/507436739.db2.gz RDWUJHWOFYNOIE-UHFFFAOYSA-N -1 3 368.683 3.369 20 30 FGEDHM N#CCCCC[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000592029198 507458713 /nfs/dbraw/zinc/45/87/13/507458713.db2.gz ZLDYLJFBOCFVSH-UHFFFAOYSA-N -1 3 356.753 3.211 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOc2ccccc2[C@H]1C ZINC000598571866 507494563 /nfs/dbraw/zinc/49/45/63/507494563.db2.gz NEOFOOBXBDTRMX-OAHLLOKOSA-N -1 3 365.433 3.191 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccnc(OC(C)C)c1 ZINC000614588881 507574555 /nfs/dbraw/zinc/57/45/55/507574555.db2.gz KQYJCGHGIFNJDI-UHFFFAOYSA-N -1 3 354.410 3.029 20 30 FGEDHM CC(C)(C)OC(=O)CCCC[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000611343239 507630763 /nfs/dbraw/zinc/63/07/63/507630763.db2.gz YLEHRAZEIQOQKF-UHFFFAOYSA-N -1 3 372.874 3.002 20 30 FGEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3coc(C(F)F)c3)sc2C1 ZINC000602359010 507682291 /nfs/dbraw/zinc/68/22/91/507682291.db2.gz DHFKWGNRGTXLEW-UHFFFAOYSA-N -1 3 365.361 3.307 20 30 FGEDHM C=CCc1cc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)cc(OC)c1OC ZINC000491000512 561441450 /nfs/dbraw/zinc/44/14/50/561441450.db2.gz FGYBNNADPBONNX-UHFFFAOYSA-N -1 3 367.352 3.020 20 30 FGEDHM COc1ccc2oc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c(C)c2c1 ZINC000737119771 598918031 /nfs/dbraw/zinc/91/80/31/598918031.db2.gz FRGFWKUTUWMSGQ-UHFFFAOYSA-N -1 3 374.360 3.054 20 30 FGEDHM COc1ccc2oc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c(C)c2c1 ZINC000737119771 598918034 /nfs/dbraw/zinc/91/80/34/598918034.db2.gz FRGFWKUTUWMSGQ-UHFFFAOYSA-N -1 3 374.360 3.054 20 30 FGEDHM O=C(C=Cc1nccn1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737806482 598926779 /nfs/dbraw/zinc/92/67/79/598926779.db2.gz HNFMUAVXSZBERL-ZHACJKMWSA-N -1 3 356.389 3.008 20 30 FGEDHM O=C(C=Cc1nccn1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737806482 598926781 /nfs/dbraw/zinc/92/67/81/598926781.db2.gz HNFMUAVXSZBERL-ZHACJKMWSA-N -1 3 356.389 3.008 20 30 FGEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc2cc(O)ccc2c1 ZINC000819772715 607253654 /nfs/dbraw/zinc/25/36/54/607253654.db2.gz JVMPCOZJZPQZMZ-UHFFFAOYSA-N -1 3 358.405 3.239 20 30 FGEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc2cc(O)ccc2c1 ZINC000819772715 607253655 /nfs/dbraw/zinc/25/36/55/607253655.db2.gz JVMPCOZJZPQZMZ-UHFFFAOYSA-N -1 3 358.405 3.239 20 30 FGEDHM COc1ccc(C=NNc2cccc(C(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000737084152 599127170 /nfs/dbraw/zinc/12/71/70/599127170.db2.gz XZBFWJWFTTZBNP-UHFFFAOYSA-N -1 3 362.315 3.340 20 30 FGEDHM COc1ccc(C=NNc2cccc(C(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000737084152 599127173 /nfs/dbraw/zinc/12/71/73/599127173.db2.gz XZBFWJWFTTZBNP-UHFFFAOYSA-N -1 3 362.315 3.340 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(F)c1Cl ZINC000819745777 599145209 /nfs/dbraw/zinc/14/52/09/599145209.db2.gz RJVRLZGXSDFULI-UHFFFAOYSA-N -1 3 371.803 3.488 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(F)c1Cl ZINC000819745777 599145210 /nfs/dbraw/zinc/14/52/10/599145210.db2.gz RJVRLZGXSDFULI-UHFFFAOYSA-N -1 3 371.803 3.488 20 30 FGEDHM COc1ccc(C=CC(=O)c2cccc(OC(F)F)c2)cc1-c1nnn[n-]1 ZINC000737081289 599153463 /nfs/dbraw/zinc/15/34/63/599153463.db2.gz MRMDDSLVDSPNTH-ALCCZGGFSA-N -1 3 372.331 3.373 20 30 FGEDHM COc1ccc(C=CC(=O)c2cccc(OC(F)F)c2)cc1-c1nn[n-]n1 ZINC000737081289 599153468 /nfs/dbraw/zinc/15/34/68/599153468.db2.gz MRMDDSLVDSPNTH-ALCCZGGFSA-N -1 3 372.331 3.373 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccsc2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737201382 599157474 /nfs/dbraw/zinc/15/74/74/599157474.db2.gz DMIUKJZDBRBIJR-UQCOIBPSSA-N -1 3 362.418 3.318 20 30 FGEDHM C[C@H]1CCc2c(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)csc2C1 ZINC000736280213 599197406 /nfs/dbraw/zinc/19/74/06/599197406.db2.gz OPDSDQJMODENID-JTQLQIEISA-N -1 3 364.434 3.177 20 30 FGEDHM C[C@H]1CCc2c(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)csc2C1 ZINC000736280213 599197408 /nfs/dbraw/zinc/19/74/08/599197408.db2.gz OPDSDQJMODENID-JTQLQIEISA-N -1 3 364.434 3.177 20 30 FGEDHM C#CCCOC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735374872 599217831 /nfs/dbraw/zinc/21/78/31/599217831.db2.gz NWQLIWQZGVUAET-UHFFFAOYSA-N -1 3 368.780 3.493 20 30 FGEDHM C=CCOc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000819759047 599263886 /nfs/dbraw/zinc/26/38/86/599263886.db2.gz MMSNTIWSRGGASD-CYBMUJFWSA-N -1 3 364.409 3.314 20 30 FGEDHM C=CCOc1cccc(NC(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000819759047 599263887 /nfs/dbraw/zinc/26/38/87/599263887.db2.gz MMSNTIWSRGGASD-CYBMUJFWSA-N -1 3 364.409 3.314 20 30 FGEDHM Fc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000737650376 598315826 /nfs/dbraw/zinc/31/58/26/598315826.db2.gz OBAOMUGYNBKSIX-UHFFFAOYSA-N -1 3 350.279 3.471 20 30 FGEDHM Fc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000737650376 598315828 /nfs/dbraw/zinc/31/58/28/598315828.db2.gz OBAOMUGYNBKSIX-UHFFFAOYSA-N -1 3 350.279 3.471 20 30 FGEDHM CC(=NNCc1ccc(Br)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735451235 598362784 /nfs/dbraw/zinc/36/27/84/598362784.db2.gz VKJJDSIPEWLEOG-UHFFFAOYSA-N -1 3 371.242 3.143 20 30 FGEDHM CC(=NNCc1ccc(Br)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735451235 598362786 /nfs/dbraw/zinc/36/27/86/598362786.db2.gz VKJJDSIPEWLEOG-UHFFFAOYSA-N -1 3 371.242 3.143 20 30 FGEDHM Cc1c(C(=O)C=CC2=Cc3ccccc3OC2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202980 598378508 /nfs/dbraw/zinc/37/85/08/598378508.db2.gz QHTSNLCHGHALTP-HJWRWDBZSA-N -1 3 373.416 3.138 20 30 FGEDHM Cc1c(C(=O)C=CC2=Cc3ccccc3OC2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202980 598378509 /nfs/dbraw/zinc/37/85/09/598378509.db2.gz QHTSNLCHGHALTP-HJWRWDBZSA-N -1 3 373.416 3.138 20 30 FGEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735647918 598535596 /nfs/dbraw/zinc/53/55/96/598535596.db2.gz HLEALSJTSSZWBJ-QGZVFWFLSA-N -1 3 360.421 3.159 20 30 FGEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735647918 598535597 /nfs/dbraw/zinc/53/55/97/598535597.db2.gz HLEALSJTSSZWBJ-QGZVFWFLSA-N -1 3 360.421 3.159 20 30 FGEDHM C=CCN(Cc1cccs1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735426617 598647988 /nfs/dbraw/zinc/64/79/88/598647988.db2.gz SXNQVVCMVIPBEE-UHFFFAOYSA-N -1 3 371.491 3.235 20 30 FGEDHM C=CCN(Cc1cccs1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735426617 598647990 /nfs/dbraw/zinc/64/79/90/598647990.db2.gz SXNQVVCMVIPBEE-UHFFFAOYSA-N -1 3 371.491 3.235 20 30 FGEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCCOc1cccc(C#N)c1 ZINC000735905221 599327828 /nfs/dbraw/zinc/32/78/28/599327828.db2.gz HHOORLRHUWZJJH-UHFFFAOYSA-N -1 3 364.409 3.016 20 30 FGEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCCOc1cccc(C#N)c1 ZINC000735905221 599327829 /nfs/dbraw/zinc/32/78/29/599327829.db2.gz HHOORLRHUWZJJH-UHFFFAOYSA-N -1 3 364.409 3.016 20 30 FGEDHM C=C(C)CN(CC)C(=O)[C@@H](C)S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735399654 599329900 /nfs/dbraw/zinc/32/99/00/599329900.db2.gz SCYPJSNBWJSVAI-UONOGXRCSA-N -1 3 359.499 3.474 20 30 FGEDHM C=C(C)CN(CC)C(=O)[C@@H](C)S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735399654 599329905 /nfs/dbraw/zinc/32/99/05/599329905.db2.gz SCYPJSNBWJSVAI-UONOGXRCSA-N -1 3 359.499 3.474 20 30 FGEDHM N#Cc1ccc(NCCOc2cccc(-c3nnn[n-]3)c2)cc1C(F)(F)F ZINC000737720103 599331714 /nfs/dbraw/zinc/33/17/14/599331714.db2.gz YLFCDBDRWAQGJW-UHFFFAOYSA-N -1 3 374.326 3.248 20 30 FGEDHM N#Cc1ccc(NCCOc2cccc(-c3nn[n-]n3)c2)cc1C(F)(F)F ZINC000737720103 599331716 /nfs/dbraw/zinc/33/17/16/599331716.db2.gz YLFCDBDRWAQGJW-UHFFFAOYSA-N -1 3 374.326 3.248 20 30 FGEDHM N#Cc1ccc(Cl)cc1NC(=O)CSc1ccccc1-c1nnn[n-]1 ZINC000822825926 599348075 /nfs/dbraw/zinc/34/80/75/599348075.db2.gz QWBRMQRDYBSXJS-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1ccc(Cl)cc1NC(=O)CSc1ccccc1-c1nn[n-]n1 ZINC000822825926 599348077 /nfs/dbraw/zinc/34/80/77/599348077.db2.gz QWBRMQRDYBSXJS-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM CC(C)Oc1ccc(NCCOc2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000820174166 607372263 /nfs/dbraw/zinc/37/22/63/607372263.db2.gz OOSHZGLVHIREEI-UHFFFAOYSA-N -1 3 364.409 3.016 20 30 FGEDHM CC(C)Oc1ccc(NCCOc2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000820174166 607372266 /nfs/dbraw/zinc/37/22/66/607372266.db2.gz OOSHZGLVHIREEI-UHFFFAOYSA-N -1 3 364.409 3.016 20 30 FGEDHM CCCc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000736497540 599460099 /nfs/dbraw/zinc/46/00/99/599460099.db2.gz SEZREQANEIGOOG-MDZDMXLPSA-N -1 3 358.405 3.363 20 30 FGEDHM CCCc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000736497540 599460102 /nfs/dbraw/zinc/46/01/02/599460102.db2.gz SEZREQANEIGOOG-MDZDMXLPSA-N -1 3 358.405 3.363 20 30 FGEDHM CC[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000736391322 599518663 /nfs/dbraw/zinc/51/86/63/599518663.db2.gz MOVGTJQZFJITBM-ZDUSSCGKSA-N -1 3 355.402 3.098 20 30 FGEDHM CC[C@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736391322 599518664 /nfs/dbraw/zinc/51/86/64/599518664.db2.gz MOVGTJQZFJITBM-ZDUSSCGKSA-N -1 3 355.402 3.098 20 30 FGEDHM C=CCN(CC1CCCCC1)C(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000819740264 599679404 /nfs/dbraw/zinc/67/94/04/599679404.db2.gz WRZHIMGJZVYBQH-UHFFFAOYSA-N -1 3 372.448 3.284 20 30 FGEDHM C=CCN(CC1CCCCC1)C(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000819740264 599679405 /nfs/dbraw/zinc/67/94/05/599679405.db2.gz WRZHIMGJZVYBQH-UHFFFAOYSA-N -1 3 372.448 3.284 20 30 FGEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCN(C)C(=O)[O-])cc1 ZINC000736890605 599911455 /nfs/dbraw/zinc/91/14/55/599911455.db2.gz CYCIYVYBENOLBX-CZUORRHYSA-N -1 3 359.426 3.237 20 30 FGEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000739105017 600572356 /nfs/dbraw/zinc/57/23/56/600572356.db2.gz IORGTFJGCVQMQW-PKOBYXMFSA-N -1 3 366.392 3.418 20 30 FGEDHM N#Cc1ccc([C@H](NCc2ccc(OC(F)(F)F)cc2)C(=O)[O-])cc1 ZINC000739106267 600592480 /nfs/dbraw/zinc/59/24/80/600592480.db2.gz LDMSPASOXBGUSD-HNNXBMFYSA-N -1 3 350.296 3.372 20 30 FGEDHM Cc1c(C(=O)C=Cc2cncc3ccccc23)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822015568 607460059 /nfs/dbraw/zinc/46/00/59/607460059.db2.gz MGUGNBRJIJCHFB-HJWRWDBZSA-N -1 3 370.416 3.367 20 30 FGEDHM Cc1c(C(=O)C=Cc2cncc3ccccc23)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822015568 607460060 /nfs/dbraw/zinc/46/00/60/607460060.db2.gz MGUGNBRJIJCHFB-HJWRWDBZSA-N -1 3 370.416 3.367 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC000822015942 607460292 /nfs/dbraw/zinc/46/02/92/607460292.db2.gz QXJMMJGGLFQUMT-FPLPWBNLSA-N -1 3 353.313 3.119 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cccc1[N+](=O)[O-] ZINC000822015942 607460294 /nfs/dbraw/zinc/46/02/94/607460294.db2.gz QXJMMJGGLFQUMT-FPLPWBNLSA-N -1 3 353.313 3.119 20 30 FGEDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCC#Cc2cccc(Cl)c2)n1 ZINC000822427394 607465158 /nfs/dbraw/zinc/46/51/58/607465158.db2.gz LYIPJIRSYFCYIX-UHFFFAOYSA-N -1 3 356.842 3.071 20 30 FGEDHM CCCC(=O)Nc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829184404 601301018 /nfs/dbraw/zinc/30/10/18/601301018.db2.gz LJEHWXFVTXGFQD-IBGZPJMESA-N -1 3 351.406 3.212 20 30 FGEDHM N#Cc1cccc([C@@H](NCc2ccc(N3CCCCCC3)nc2)C(=O)[O-])c1 ZINC000833074590 601301270 /nfs/dbraw/zinc/30/12/70/601301270.db2.gz BFEMTSGXEZDWJO-HXUWFJFHSA-N -1 3 364.449 3.249 20 30 FGEDHM CN(CCOc1ccccc1C#N)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830794989 601903151 /nfs/dbraw/zinc/90/31/51/601903151.db2.gz DSDUNSOVDRDAHF-KRWDZBQOSA-N -1 3 364.323 3.112 20 30 FGEDHM CCN(CC(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1)C(=O)[O-] ZINC000739386304 602865804 /nfs/dbraw/zinc/86/58/04/602865804.db2.gz ZGCIECNDUXLXDM-VIFPVBQESA-N -1 3 365.361 3.264 20 30 FGEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)NC(=O)[O-])cc1 ZINC000739249184 603160969 /nfs/dbraw/zinc/16/09/69/603160969.db2.gz LGQNVNQOZTXHFH-SWLSCSKDSA-N -1 3 359.426 3.284 20 30 FGEDHM N#Cc1ccc(CN(C2CC2)C2CCN(C(=O)[O-])CC2)c(OC(F)F)c1 ZINC000831122484 603735399 /nfs/dbraw/zinc/73/53/99/603735399.db2.gz JCCVERVYAYVEDE-UHFFFAOYSA-N -1 3 365.380 3.266 20 30 FGEDHM CCN(C(=O)c1ccc(C#N)cc1C)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380488 607670035 /nfs/dbraw/zinc/67/00/35/607670035.db2.gz PDMKNMKVLHKRKR-AWEZNQCLSA-N -1 3 360.421 3.270 20 30 FGEDHM CCN(C(=O)c1ccc(C#N)cc1C)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380488 607670037 /nfs/dbraw/zinc/67/00/37/607670037.db2.gz PDMKNMKVLHKRKR-AWEZNQCLSA-N -1 3 360.421 3.270 20 30 FGEDHM C[C@H]1CC(=Cc2cnc3ccc(-c4nnn[n-]4)cn23)C(=O)c2ccccc21 ZINC000824857644 607680710 /nfs/dbraw/zinc/68/07/10/607680710.db2.gz DPWHAPVULCADHI-IGVUGNCQSA-N -1 3 356.389 3.288 20 30 FGEDHM C[C@H]1CC(=Cc2cnc3ccc(-c4nn[n-]n4)cn23)C(=O)c2ccccc21 ZINC000824857644 607680712 /nfs/dbraw/zinc/68/07/12/607680712.db2.gz DPWHAPVULCADHI-IGVUGNCQSA-N -1 3 356.389 3.288 20 30 FGEDHM CN1CCc2cc(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)ccc21 ZINC000826045535 607681137 /nfs/dbraw/zinc/68/11/37/607681137.db2.gz YEWOVFXFUAQXER-WJDWOHSUSA-N -1 3 357.417 3.072 20 30 FGEDHM CN1CCc2cc(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)ccc21 ZINC000826045535 607681139 /nfs/dbraw/zinc/68/11/39/607681139.db2.gz YEWOVFXFUAQXER-WJDWOHSUSA-N -1 3 357.417 3.072 20 30 FGEDHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000833420000 604955193 /nfs/dbraw/zinc/95/51/93/604955193.db2.gz NAWARLOFVWJNOR-AWEZNQCLSA-N -1 3 352.381 3.482 20 30 FGEDHM CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000820875770 606127142 /nfs/dbraw/zinc/12/71/42/606127142.db2.gz FGRANXJWDWOKCH-LBPRGKRZSA-N -1 3 362.393 3.168 20 30 FGEDHM CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000820875770 606127143 /nfs/dbraw/zinc/12/71/43/606127143.db2.gz FGRANXJWDWOKCH-LBPRGKRZSA-N -1 3 362.393 3.168 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1OC(F)F ZINC000819772542 606205321 /nfs/dbraw/zinc/20/53/21/606205321.db2.gz FYSFYALILOTRLB-UHFFFAOYSA-N -1 3 362.315 3.443 20 30 FGEDHM FC(F)(F)COc1ccc(NN=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822719080 606206070 /nfs/dbraw/zinc/20/60/70/606206070.db2.gz YUXMVQUKFRJCBT-UHFFFAOYSA-N -1 3 368.344 3.315 20 30 FGEDHM FC(F)(F)COc1ccc(NN=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822719080 606206071 /nfs/dbraw/zinc/20/60/71/606206071.db2.gz YUXMVQUKFRJCBT-UHFFFAOYSA-N -1 3 368.344 3.315 20 30 FGEDHM N#Cc1c[nH]c(C(=O)OCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000822819292 606231961 /nfs/dbraw/zinc/23/19/61/606231961.db2.gz OBISBGJGTGGXAN-UHFFFAOYSA-N -1 3 370.372 3.090 20 30 FGEDHM N#Cc1c[nH]c(C(=O)OCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000822819292 606231962 /nfs/dbraw/zinc/23/19/62/606231962.db2.gz OBISBGJGTGGXAN-UHFFFAOYSA-N -1 3 370.372 3.090 20 30 FGEDHM CCCOc1ccc2c(c1)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CO2 ZINC000821133550 606305327 /nfs/dbraw/zinc/30/53/27/606305327.db2.gz ALUNTAIYRSLRCB-WDZFZDKYSA-N -1 3 368.418 3.376 20 30 FGEDHM CCCOc1ccc2c(c1)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)CO2 ZINC000821133550 606305329 /nfs/dbraw/zinc/30/53/29/606305329.db2.gz ALUNTAIYRSLRCB-WDZFZDKYSA-N -1 3 368.418 3.376 20 30 FGEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1cnc(-c2cccs2)s1 ZINC000819718449 606338904 /nfs/dbraw/zinc/33/89/04/606338904.db2.gz HNVWSRRMCQQFHU-UHFFFAOYSA-N -1 3 353.436 3.498 20 30 FGEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1cnc(-c2cccs2)s1 ZINC000819718449 606338906 /nfs/dbraw/zinc/33/89/06/606338906.db2.gz HNVWSRRMCQQFHU-UHFFFAOYSA-N -1 3 353.436 3.498 20 30 FGEDHM Cc1nccn1-c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822477095 606339947 /nfs/dbraw/zinc/33/99/47/606339947.db2.gz GGGZPUIURBECLQ-NYYWCZLTSA-N -1 3 356.389 3.257 20 30 FGEDHM Cc1nccn1-c1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822478570 606340190 /nfs/dbraw/zinc/34/01/90/606340190.db2.gz ULPAJNKUDSCGFI-BJMVGYQFSA-N -1 3 356.389 3.257 20 30 FGEDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)OCC#Cc1ccc(Cl)cc1 ZINC000822978430 606435671 /nfs/dbraw/zinc/43/56/71/606435671.db2.gz KQMZUGUERRSIRL-UHFFFAOYSA-N -1 3 366.808 3.048 20 30 FGEDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)OCC#Cc1ccc(Cl)cc1 ZINC000822978430 606435672 /nfs/dbraw/zinc/43/56/72/606435672.db2.gz KQMZUGUERRSIRL-UHFFFAOYSA-N -1 3 366.808 3.048 20 30 FGEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819958907 606556244 /nfs/dbraw/zinc/55/62/44/606556244.db2.gz SHKSVQDRKHQAKI-SFHVURJKSA-N -1 3 374.448 3.088 20 30 FGEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819958907 606556246 /nfs/dbraw/zinc/55/62/46/606556246.db2.gz SHKSVQDRKHQAKI-SFHVURJKSA-N -1 3 374.448 3.088 20 30 FGEDHM Fc1ccc(C=NOCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1 ZINC000822766293 606595556 /nfs/dbraw/zinc/59/55/56/606595556.db2.gz HQKRULALIHKDDN-UHFFFAOYSA-N -1 3 363.299 3.158 20 30 FGEDHM Fc1ccc(C=NOCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1 ZINC000822766293 606595558 /nfs/dbraw/zinc/59/55/58/606595558.db2.gz HQKRULALIHKDDN-UHFFFAOYSA-N -1 3 363.299 3.158 20 30 FGEDHM CC1CC(C(=O)[C@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000820649755 606626421 /nfs/dbraw/zinc/62/64/21/606626421.db2.gz OLRXBHHLGNRYNS-DBRPNBKGSA-N -1 3 364.434 3.213 20 30 FGEDHM CC1CC(C(=O)[C@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000820649755 606626422 /nfs/dbraw/zinc/62/64/22/606626422.db2.gz OLRXBHHLGNRYNS-DBRPNBKGSA-N -1 3 364.434 3.213 20 30 FGEDHM Cc1cccc(C)c1N=C1NN=C(c2ccc(-c3nnn[n-]3)cc2)CS1 ZINC000822293854 606632307 /nfs/dbraw/zinc/63/23/07/606632307.db2.gz OGATWOYLFOUEMP-UHFFFAOYSA-N -1 3 363.450 3.212 20 30 FGEDHM Cc1cccc(C)c1N=C1NN=C(c2ccc(-c3nn[n-]n3)cc2)CS1 ZINC000822293854 606632309 /nfs/dbraw/zinc/63/23/09/606632309.db2.gz OGATWOYLFOUEMP-UHFFFAOYSA-N -1 3 363.450 3.212 20 30 FGEDHM C[C@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000824384553 607785188 /nfs/dbraw/zinc/78/51/88/607785188.db2.gz DNQNZQLINOAXKI-SNVBAGLBSA-N -1 3 368.347 3.149 20 30 FGEDHM C[C@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000824384553 607785189 /nfs/dbraw/zinc/78/51/89/607785189.db2.gz DNQNZQLINOAXKI-SNVBAGLBSA-N -1 3 368.347 3.149 20 30 FGEDHM C=C(C)[C@@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)OCC ZINC000823873148 607920269 /nfs/dbraw/zinc/92/02/69/607920269.db2.gz JPJJIBYELRHBKC-GFCCVEGCSA-N -1 3 361.471 3.117 20 30 FGEDHM C=C(C)[C@@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)OCC ZINC000823873148 607920270 /nfs/dbraw/zinc/92/02/70/607920270.db2.gz JPJJIBYELRHBKC-GFCCVEGCSA-N -1 3 361.471 3.117 20 30 FGEDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(O[C@@H](C)C#N)cc1 ZINC000825782487 607975942 /nfs/dbraw/zinc/97/59/42/607975942.db2.gz FRZWITDIHYBYLQ-LBPRGKRZSA-N -1 3 359.393 3.194 20 30 FGEDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(O[C@@H](C)C#N)cc1 ZINC000825782487 607975943 /nfs/dbraw/zinc/97/59/43/607975943.db2.gz FRZWITDIHYBYLQ-LBPRGKRZSA-N -1 3 359.393 3.194 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(Cl)c(F)c1 ZINC000826403501 608229617 /nfs/dbraw/zinc/22/96/17/608229617.db2.gz UFFWJKLJWVSDMQ-HWKANZROSA-N -1 3 368.759 3.203 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(Cl)c(F)c1 ZINC000826403501 608229619 /nfs/dbraw/zinc/22/96/19/608229619.db2.gz UFFWJKLJWVSDMQ-HWKANZROSA-N -1 3 368.759 3.203 20 30 FGEDHM N#Cc1cc(F)ccc1CN1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826384045 608466673 /nfs/dbraw/zinc/46/66/73/608466673.db2.gz DIBIUSBRWFRTTB-UHFFFAOYSA-N -1 3 360.396 3.167 20 30 FGEDHM N#Cc1cc(F)ccc1CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826384045 608466675 /nfs/dbraw/zinc/46/66/75/608466675.db2.gz DIBIUSBRWFRTTB-UHFFFAOYSA-N -1 3 360.396 3.167 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cc(-c2nnn[n-]2)cs1 ZINC000826379748 608748987 /nfs/dbraw/zinc/74/89/87/608748987.db2.gz ADSNZOLPSWQCKZ-SJORKVTESA-N -1 3 350.451 3.200 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cc(-c2nn[n-]n2)cs1 ZINC000826379748 608748990 /nfs/dbraw/zinc/74/89/90/608748990.db2.gz ADSNZOLPSWQCKZ-SJORKVTESA-N -1 3 350.451 3.200 20 30 FGEDHM C[C@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824859492 608876317 /nfs/dbraw/zinc/87/63/17/608876317.db2.gz PLCOJDTWGAZMIZ-NDVARNPJSA-N -1 3 354.316 3.234 20 30 FGEDHM Cc1cc(C)c2c(c1)OCC(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826263739 608877057 /nfs/dbraw/zinc/87/70/57/608877057.db2.gz OMJZGJVMBDHPJF-QPEQYQDCSA-N -1 3 350.353 3.281 20 30 FGEDHM Cc1cc(C)c2c(c1)OCC(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826263739 608877060 /nfs/dbraw/zinc/87/70/60/608877060.db2.gz OMJZGJVMBDHPJF-QPEQYQDCSA-N -1 3 350.353 3.281 20 30 FGEDHM Cc1ccc2c(c1C)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CO2 ZINC000826294023 608880033 /nfs/dbraw/zinc/88/00/33/608880033.db2.gz HGJGJXTVOKOXRW-NTUHNPAUSA-N -1 3 350.353 3.281 20 30 FGEDHM Cc1ccc2c(c1C)C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)CO2 ZINC000826294023 608880035 /nfs/dbraw/zinc/88/00/35/608880035.db2.gz HGJGJXTVOKOXRW-NTUHNPAUSA-N -1 3 350.353 3.281 20 30 FGEDHM N#Cc1ccccc1OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826387084 609306784 /nfs/dbraw/zinc/30/67/84/609306784.db2.gz FWVARDQATCUYJL-UHFFFAOYSA-N -1 3 356.183 3.080 20 30 FGEDHM N#Cc1ccccc1OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826387084 609306786 /nfs/dbraw/zinc/30/67/86/609306786.db2.gz FWVARDQATCUYJL-UHFFFAOYSA-N -1 3 356.183 3.080 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000823958087 609447735 /nfs/dbraw/zinc/44/77/35/609447735.db2.gz BHOPKBYLJBRXLQ-UHFFFAOYSA-N -1 3 357.761 3.264 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc2c(c1)CCO2 ZINC000823958526 609470402 /nfs/dbraw/zinc/47/04/02/609470402.db2.gz PPYDWENIDIFKSW-UHFFFAOYSA-N -1 3 354.801 3.291 20 30 FGEDHM COc1ccc(C(C)=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(OC)c1 ZINC000826188136 609474216 /nfs/dbraw/zinc/47/42/16/609474216.db2.gz OKJVGSNINXVJIN-UHFFFAOYSA-N -1 3 372.816 3.373 20 30 FGEDHM COc1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(OC)c1 ZINC000826188136 609474219 /nfs/dbraw/zinc/47/42/19/609474219.db2.gz OKJVGSNINXVJIN-UHFFFAOYSA-N -1 3 372.816 3.373 20 30 FGEDHM CC[C@@H]1C[C@H](CN=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000825184553 609516894 /nfs/dbraw/zinc/51/68/94/609516894.db2.gz VZCCLVPWZGDMLP-ZYHUDNBSSA-N -1 3 368.363 3.488 20 30 FGEDHM CC[C@@H]1C[C@H](CN=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000825184553 609516895 /nfs/dbraw/zinc/51/68/95/609516895.db2.gz VZCCLVPWZGDMLP-ZYHUDNBSSA-N -1 3 368.363 3.488 20 30 FGEDHM C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)NC1(C#N)CCCCC1 ZINC000011809840 695602617 /nfs/dbraw/zinc/60/26/17/695602617.db2.gz FAKPMPRJWHJZEN-SECBINFHSA-N -1 3 358.225 3.209 20 30 FGEDHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)O[C@H](C)C#N ZINC000023417374 695661981 /nfs/dbraw/zinc/66/19/81/695661981.db2.gz HDTBTAWPAVYVFH-GFCCVEGCSA-N -1 3 362.382 3.004 20 30 FGEDHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)O[C@@H](C)C#N ZINC000023417376 695661985 /nfs/dbraw/zinc/66/19/85/695661985.db2.gz HDTBTAWPAVYVFH-LBPRGKRZSA-N -1 3 362.382 3.004 20 30 FGEDHM C#Cc1cccc(NC(=O)CN(C)Cc2cccc(Br)c2[O-])c1 ZINC000092143538 700432105 /nfs/dbraw/zinc/43/21/05/700432105.db2.gz XZWFGLIPJLQTRR-UHFFFAOYSA-N -1 3 373.250 3.207 20 30 FGEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H](O)COc1ccc(F)cc1 ZINC000122246719 700686572 /nfs/dbraw/zinc/68/65/72/700686572.db2.gz HXBMMPCIYJICEP-VLUPQXHSSA-N -1 3 368.202 3.153 20 30 FGEDHM N#CCOc1cccc(CC(=O)Nc2cc(Br)ccc2[O-])c1 ZINC000129119341 700783697 /nfs/dbraw/zinc/78/36/97/700783697.db2.gz XKGJGUYHICRNAA-UHFFFAOYSA-N -1 3 361.195 3.238 20 30 FGEDHM CC(C)Oc1cncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000179977918 705722962 /nfs/dbraw/zinc/72/29/62/705722962.db2.gz CEMLWIJSUHPYAZ-INIZCTEOSA-N -1 3 357.797 3.483 20 30 FGEDHM NC(=O)C1CCN(c2ccc(N=Cc3cc(Cl)ccc3[O-])cc2)CC1 ZINC000255616728 713701733 /nfs/dbraw/zinc/70/17/33/713701733.db2.gz FZHSOSOUMCNCSH-UHFFFAOYSA-N -1 3 357.841 3.498 20 30 FGEDHM CC(=O)Nc1nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@H](C)C3)cs1 ZINC000525116122 714320692 /nfs/dbraw/zinc/32/06/92/714320692.db2.gz NACNUDPFSBWIKM-QMMMGPOBSA-N -1 3 360.464 3.412 20 30 FGEDHM N#Cc1ccc(C[C@H](C#N)C(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000525914611 714387409 /nfs/dbraw/zinc/38/74/09/714387409.db2.gz OCHYNNHNUQVIEN-CYBMUJFWSA-N -1 3 370.206 3.347 20 30 FGEDHM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)(F)F)cc2)c1 ZINC000619461444 714838336 /nfs/dbraw/zinc/83/83/36/714838336.db2.gz DEKIDSWSYXUJBO-UHFFFAOYSA-N -1 3 370.352 3.495 20 30 FGEDHM C=CC[C@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000628487647 716161126 /nfs/dbraw/zinc/16/11/26/716161126.db2.gz JLMUTTVKFAVFJK-NSHDSACASA-N -1 3 361.239 3.329 20 30 FGEDHM O=C(Cc1ccc([O-])c(F)c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000649025161 718467989 /nfs/dbraw/zinc/46/79/89/718467989.db2.gz IKKARXUJXCKRMN-RKDXNWHRSA-N -1 3 359.241 3.273 20 30 FGEDHM COc1ccccc1SC[C@@H](C)C/N=C/c1c([O-])c(C)ncc1CO ZINC000728785927 722454368 /nfs/dbraw/zinc/45/43/68/722454368.db2.gz UDXJVJUTMKEKIK-NPNVKNKFSA-N -1 3 360.479 3.444 20 30 FGEDHM COc1ccc(N=Cc2c([O-])c(C)ncc2CO)cc1Br ZINC000732713786 722487666 /nfs/dbraw/zinc/48/76/66/722487666.db2.gz KZQGSSYQWXYECY-UHFFFAOYSA-N -1 3 351.200 3.110 20 30 FGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](C)CCC(C)(C)C)ccc1F ZINC000736053415 722521627 /nfs/dbraw/zinc/52/16/27/722521627.db2.gz XAVXRKBHXATVIT-ZDUSSCGKSA-N -1 3 370.490 3.235 20 30 FGEDHM CC(=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1)c1ccsc1 ZINC000749099578 722715787 /nfs/dbraw/zinc/71/57/87/722715787.db2.gz QCXNOFNAYUNGMN-CQSZACIVSA-N -1 3 358.448 3.413 20 30 FGEDHM CCOc1cc(CN=Nc2nc(-c3ccncc3)no2)cc(Cl)c1[O-] ZINC000750949275 722787321 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C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@H](C)CCC)no2)ccc1F ZINC000761851445 723190415 /nfs/dbraw/zinc/19/04/15/723190415.db2.gz FWZQSGXWXFZISC-LLVKDONJSA-N -1 3 353.419 3.244 20 30 FGEDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1cccc(F)c1C#N ZINC000794413204 723519163 /nfs/dbraw/zinc/51/91/63/723519163.db2.gz UDNXHVWQPBTYRE-UHFFFAOYSA-N -1 3 362.788 3.232 20 30 FGEDHM O=S(=O)(Cc1ccccc1)[N-]N=C(COC(F)(F)F)c1ccccc1 ZINC000794499072 723528360 /nfs/dbraw/zinc/52/83/60/723528360.db2.gz WUPCXIYSIXMXPB-UHFFFAOYSA-N -1 3 372.368 3.047 20 30 FGEDHM N#Cc1cc(Cl)nc(N=NCc2cc(O)c([O-])c(Br)c2)c1 ZINC000768377358 723655881 /nfs/dbraw/zinc/65/58/81/723655881.db2.gz ZVQQJAQWOUUJON-UHFFFAOYSA-N -1 3 367.590 3.226 20 30 FGEDHM Cc1ccc(C=CC(=O)C(C#N)=C([O-])c2nccn2C)c(Br)c1 ZINC000770862542 723722064 /nfs/dbraw/zinc/72/20/64/723722064.db2.gz OFMSVBYDSBRGJX-GFUIURDCSA-N -1 3 372.222 3.096 20 30 FGEDHM Cc1ccc(C=CC([O-])=C(C#N)C(=O)c2nccn2C)c(Br)c1 ZINC000770862542 723722065 /nfs/dbraw/zinc/72/20/65/723722065.db2.gz OFMSVBYDSBRGJX-GFUIURDCSA-N -1 3 372.222 3.096 20 30 FGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000798467330 723934709 /nfs/dbraw/zinc/93/47/09/723934709.db2.gz VPRCGRZFGYSOSN-JTQLQIEISA-N -1 3 366.252 3.230 20 30 FGEDHM CCCCCCCS(=O)(=O)[N-]Cc1nc(-c2cccc(F)c2)no1 ZINC000799820499 724101058 /nfs/dbraw/zinc/10/10/58/724101058.db2.gz NPRKWENOFYYYRR-UHFFFAOYSA-N -1 3 355.435 3.266 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cccnc2Cl)cc1Br ZINC000788479091 725066768 /nfs/dbraw/zinc/06/67/68/725066768.db2.gz XNHNCKGXRZRRSP-UHFFFAOYSA-N -1 3 372.631 3.170 20 30 FGEDHM CCOc1cc(CN=Nc2cc(Cl)nc(COC)n2)cc(Cl)c1[O-] ZINC000814975380 727015165 /nfs/dbraw/zinc/01/51/65/727015165.db2.gz DONNEPREKNABPC-UHFFFAOYSA-N -1 3 371.224 3.480 20 30 FGEDHM O=C([N-]Cc1noc(C(F)(F)F)n1)[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC000819564968 727382609 /nfs/dbraw/zinc/38/26/09/727382609.db2.gz SIAXMGUMZCVWDN-VIFPVBQESA-N -1 3 371.212 3.434 20 30 FGEDHM C=C(C)CN(CC)C(=O)[C@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000823878338 729310968 /nfs/dbraw/zinc/31/09/68/729310968.db2.gz VSDADZNUHCOOLW-NSHDSACASA-N -1 3 365.890 3.425 20 30 FGEDHM C=C(C)CN(CC)C(=O)[C@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000823878338 729310973 /nfs/dbraw/zinc/31/09/73/729310973.db2.gz VSDADZNUHCOOLW-NSHDSACASA-N -1 3 365.890 3.425 20 30 FGEDHM N#Cc1cc(Br)ccc1NCc1ccc(-c2nnn[n-]2)cc1 ZINC000826383806 729407587 /nfs/dbraw/zinc/40/75/87/729407587.db2.gz RAJAIQBQWAPXAI-UHFFFAOYSA-N -1 3 355.199 3.113 20 30 FGEDHM N#Cc1cc(Br)ccc1NCc1ccc(-c2nn[n-]n2)cc1 ZINC000826383806 729407588 /nfs/dbraw/zinc/40/75/88/729407588.db2.gz RAJAIQBQWAPXAI-UHFFFAOYSA-N -1 3 355.199 3.113 20 30 FGEDHM O=C(C=Cc1cc(Cl)cc2c1OCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000826399628 729407936 /nfs/dbraw/zinc/40/79/36/729407936.db2.gz AVDRESLCMFJAOB-WAYWQWQTSA-N -1 3 352.781 3.351 20 30 FGEDHM O=C(C=Cc1cc(Cl)cc2c1OCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000826399628 729407937 /nfs/dbraw/zinc/40/79/37/729407937.db2.gz AVDRESLCMFJAOB-WAYWQWQTSA-N -1 3 352.781 3.351 20 30 FGEDHM C=CCO[N-]C(=O)Cc1cc(OCC)c(OCC)cc1Br ZINC000837044128 729989078 /nfs/dbraw/zinc/98/90/78/729989078.db2.gz IVRBKKVQVKJRKV-UHFFFAOYSA-N -1 3 358.232 3.023 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC000844813929 730772720 /nfs/dbraw/zinc/77/27/20/730772720.db2.gz HCBWAEYZXLOCLG-DLBZAZTESA-N -1 3 353.825 3.029 20 30 FGEDHM CCCCCCC[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC000859246370 732295956 /nfs/dbraw/zinc/29/59/56/732295956.db2.gz CEEMBBAJNLBHCH-UHFFFAOYSA-N -1 3 373.949 3.054 20 30 FGEDHM C=CC[C@H](C)OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000860898445 732591755 /nfs/dbraw/zinc/59/17/55/732591755.db2.gz JKBQKEFXLMYEHQ-VIFPVBQESA-N -1 3 351.346 3.198 20 30 FGEDHM COc1ccc(C=NNC2C[C@@H](C)O[C@H](C)C2)c(Br)c1[O-] ZINC000901308732 743250764 /nfs/dbraw/zinc/25/07/64/743250764.db2.gz WAZUURYNSPOHRZ-NXEZZACHSA-N -1 3 357.248 3.043 20 30 FGEDHM CCCCS(=O)(=O)c1ccc(C(=O)N([O-])Cc2ccc(F)cc2)cc1 ZINC000901372571 743261946 /nfs/dbraw/zinc/26/19/46/743261946.db2.gz HSKPXKLWBDNKQY-UHFFFAOYSA-N -1 3 365.426 3.431 20 30 FGEDHM COc1cc(/C=C\C(=O)c2cn(C(C)C)nn2)cc(Br)c1[O-] ZINC000901522870 743297121 /nfs/dbraw/zinc/29/71/21/743297121.db2.gz CBCQARKPJVEUAR-PLNGDYQASA-N -1 3 366.215 3.232 20 30 FGEDHM O=C(c1cc2n(n1)CCCC2=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178913 743935705 /nfs/dbraw/zinc/93/57/05/743935705.db2.gz XMJGNXTUJDZOJV-UHFFFAOYSA-N -1 3 354.193 3.198 20 30 FGEDHM Cc1nc(C)c(CCC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c(=O)[nH]1 ZINC000904183238 743936242 /nfs/dbraw/zinc/93/62/42/743936242.db2.gz XHAXRJGAIRXWFE-UHFFFAOYSA-N -1 3 370.236 3.456 20 30 FGEDHM CCCCN([O-])C(=O)Cc1csc(NC(=O)c2ccccc2F)n1 ZINC000904208993 743939309 /nfs/dbraw/zinc/93/93/09/743939309.db2.gz PFXXNQOSHWGGJZ-UHFFFAOYSA-N -1 3 351.403 3.095 20 30 FGEDHM C=C(Cl)C[C@@H](NC(=O)NC[C@H](c1ccsc1)N(CC)CC)C(=O)[O-] ZINC000908802249 744319249 /nfs/dbraw/zinc/31/92/49/744319249.db2.gz MLOVKUCLEOQGSS-ZIAGYGMSSA-N -1 3 373.906 3.026 20 30 FGEDHM O=C(Nc1ccc(C(F)(F)F)c(F)c1)[C@@H]1CC[C@@H](C(F)(F)F)[N-]C1=O ZINC000912835462 757382634 /nfs/dbraw/zinc/38/26/34/757382634.db2.gz JBNVNFPMVOAHNE-XVKPBYJWSA-N -1 3 372.240 3.240 20 30 FGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Oc2ccc(Cl)cc2)ccc1F ZINC000914456756 757778538 /nfs/dbraw/zinc/77/85/38/757778538.db2.gz YKDYBONKFYJWNQ-UHFFFAOYSA-N -1 3 369.801 3.163 20 30 FGEDHM Cc1ncc(CO)c(/C=N/CCOc2ccc(C(F)(F)F)cc2)c1[O-] ZINC000915981208 758015305 /nfs/dbraw/zinc/01/53/05/758015305.db2.gz OEGUHDBVYMUPOD-ZVBGSRNCSA-N -1 3 354.328 3.105 20 30 FGEDHM Fc1cccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)c1 ZINC000916320537 758070934 /nfs/dbraw/zinc/07/09/34/758070934.db2.gz AHIZYKNAJABQCK-HNNXBMFYSA-N -1 3 356.382 3.101 20 30 FGEDHM Cc1ncc(CO)c(/C=N\Cc2cc(F)ccc2Br)c1[O-] ZINC000917557495 758238755 /nfs/dbraw/zinc/23/87/55/758238755.db2.gz PDXXHUKDTJGBEZ-WSVATBPTSA-N -1 3 353.191 3.109 20 30 FGEDHM CCC[C@H](C#N)[N-]S(=O)(=O)Cc1ccc(Cl)cc1Br ZINC000579671300 505598957 /nfs/dbraw/zinc/59/89/57/505598957.db2.gz ZEVIBHDIFHDFHK-LLVKDONJSA-N -1 3 365.680 3.214 20 30 FGEDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)cc2)n1 ZINC000068225153 493781678 /nfs/dbraw/zinc/78/16/78/493781678.db2.gz VXIGIYRFDJPFGA-AWEZNQCLSA-N -1 3 374.400 3.023 20 30 FGEDHM CC(C)c1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c([O-])c1 ZINC000048368236 493821323 /nfs/dbraw/zinc/82/13/23/493821323.db2.gz SJHWVWPBNDEURS-UHFFFAOYSA-N -1 3 363.461 3.345 20 30 FGEDHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2)n1 ZINC000029403674 493838014 /nfs/dbraw/zinc/83/80/14/493838014.db2.gz AVHCEJPAPQBLCK-UHFFFAOYSA-N -1 3 352.419 3.162 20 30 FGEDHM CCc1cc2c(CN(CCC#N)Cc3ccccn3)cc(=O)oc2cc1[O-] ZINC000081159628 493841015 /nfs/dbraw/zinc/84/10/15/493841015.db2.gz PVWMTJMGFNGOMH-UHFFFAOYSA-N -1 3 363.417 3.372 20 30 FGEDHM C=CCOc1ccc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)cc1 ZINC000030607767 493900691 /nfs/dbraw/zinc/90/06/91/493900691.db2.gz KUJOGKLBHDQMHS-UHFFFAOYSA-N -1 3 364.398 3.014 20 30 FGEDHM 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CCC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)OCC ZINC000599367532 506428282 /nfs/dbraw/zinc/42/82/82/506428282.db2.gz IVWUFQIUTDGEKI-GFCCVEGCSA-N -1 3 364.389 3.061 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3c(F)cccc3F)CCC2)s1 ZINC000599526413 506485665 /nfs/dbraw/zinc/48/56/65/506485665.db2.gz VBDPJKMNLPBFKP-UHFFFAOYSA-N -1 3 354.403 3.256 20 30 FGEDHM Cc1cc(C)c2c(c1)N(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CCO2 ZINC000593315318 506532297 /nfs/dbraw/zinc/53/22/97/506532297.db2.gz CEESFBAKABMVHK-UHFFFAOYSA-N -1 3 365.433 3.251 20 30 FGEDHM Cn1nc(C(F)(F)F)cc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000583186153 506636261 /nfs/dbraw/zinc/63/62/61/506636261.db2.gz WFUDLGJUKQBYFH-QMMMGPOBSA-N -1 3 362.233 3.343 20 30 FGEDHM COc1ccc(Sc2nsc([N-]C(=O)c3cccc(C#N)n3)n2)cc1 ZINC000589782198 506649055 /nfs/dbraw/zinc/64/90/55/506649055.db2.gz DMMNKYSWJLBWFA-UHFFFAOYSA-N -1 3 369.431 3.217 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000603971966 506676771 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CC1(C)CCc2cc(C=NNCc3ccc(-c4nn[n-]n4)cc3)ccc2O1 ZINC000820601061 607254320 /nfs/dbraw/zinc/25/43/20/607254320.db2.gz AVSYWROHMIXNHW-UHFFFAOYSA-N -1 3 362.437 3.094 20 30 FGEDHM CCC(N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000736303525 599149798 /nfs/dbraw/zinc/14/97/98/599149798.db2.gz ILYIPOOQYBPNII-VIFPVBQESA-N -1 3 354.336 3.100 20 30 FGEDHM CCC(N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000736303525 599149801 /nfs/dbraw/zinc/14/98/01/599149801.db2.gz ILYIPOOQYBPNII-VIFPVBQESA-N -1 3 354.336 3.100 20 30 FGEDHM COc1ccc(C=C2C(=O)c3c(c(F)ccc3O)[C@H]2C)cc1-c1nnn[n-]1 ZINC000737082649 599153841 /nfs/dbraw/zinc/15/38/41/599153841.db2.gz KMUZKUKHYXJJTQ-FKVCUQLRSA-N -1 3 366.352 3.103 20 30 FGEDHM COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000737096250 599154670 /nfs/dbraw/zinc/15/46/70/599154670.db2.gz AOKRRKZQGAOGMF-ZZXKWVIFSA-N -1 3 370.796 3.433 20 30 FGEDHM COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000737096250 599154672 /nfs/dbraw/zinc/15/46/72/599154672.db2.gz AOKRRKZQGAOGMF-ZZXKWVIFSA-N -1 3 370.796 3.433 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccsc2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737201379 599157334 /nfs/dbraw/zinc/15/73/34/599157334.db2.gz DMIUKJZDBRBIJR-FARCUNLSSA-N -1 3 362.418 3.318 20 30 FGEDHM CCSc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736667269 599191257 /nfs/dbraw/zinc/19/12/57/599191257.db2.gz MXAOHRBFMPYFAE-UHFFFAOYSA-N -1 3 350.407 3.103 20 30 FGEDHM CCSc1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736667269 599191260 /nfs/dbraw/zinc/19/12/60/599191260.db2.gz MXAOHRBFMPYFAE-UHFFFAOYSA-N -1 3 350.407 3.103 20 30 FGEDHM Cc1cccc2c(CCC(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c[nH]c21 ZINC000737409548 599193814 /nfs/dbraw/zinc/19/38/14/599193814.db2.gz PFVQHDGLMOAQNX-UHFFFAOYSA-N -1 3 371.404 3.099 20 30 FGEDHM Cc1cccc2c(CCC(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c[nH]c21 ZINC000737409548 599193816 /nfs/dbraw/zinc/19/38/16/599193816.db2.gz PFVQHDGLMOAQNX-UHFFFAOYSA-N -1 3 371.404 3.099 20 30 FGEDHM Cc1c(C#N)cccc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000822015533 607286325 /nfs/dbraw/zinc/28/63/25/607286325.db2.gz MEMRDPWFUAFMMI-UHFFFAOYSA-N -1 3 373.420 3.243 20 30 FGEDHM Cc1c(C#N)cccc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000822015533 607286326 /nfs/dbraw/zinc/28/63/26/607286326.db2.gz MEMRDPWFUAFMMI-UHFFFAOYSA-N -1 3 373.420 3.243 20 30 FGEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1csc(C)n1 ZINC000735451273 598313342 /nfs/dbraw/zinc/31/33/42/598313342.db2.gz WLUPVNFOFVPVBC-UHFFFAOYSA-N -1 3 367.360 3.487 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1csc(C)n1 ZINC000735451273 598313344 /nfs/dbraw/zinc/31/33/44/598313344.db2.gz WLUPVNFOFVPVBC-UHFFFAOYSA-N -1 3 367.360 3.487 20 30 FGEDHM N#Cc1cccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000737722517 598314773 /nfs/dbraw/zinc/31/47/73/598314773.db2.gz JWGUVQIXFGSXHL-UHFFFAOYSA-N -1 3 357.299 3.203 20 30 FGEDHM N#Cc1cccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000737722517 598314775 /nfs/dbraw/zinc/31/47/75/598314775.db2.gz JWGUVQIXFGSXHL-UHFFFAOYSA-N -1 3 357.299 3.203 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cccc(O)c1 ZINC000735451209 598315584 /nfs/dbraw/zinc/31/55/84/598315584.db2.gz TYCRMRAMBNQMOF-UHFFFAOYSA-N -1 3 362.315 3.427 20 30 FGEDHM N#Cc1nccnc1Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000737731533 598347070 /nfs/dbraw/zinc/34/70/70/598347070.db2.gz SPYBOWYCAZUYCP-UHFFFAOYSA-N -1 3 356.349 3.064 20 30 FGEDHM N#Cc1nccnc1Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000737731533 598347071 /nfs/dbraw/zinc/34/70/71/598347071.db2.gz SPYBOWYCAZUYCP-UHFFFAOYSA-N -1 3 356.349 3.064 20 30 FGEDHM COc1ccc(C)cc1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC000737078122 598377220 /nfs/dbraw/zinc/37/72/20/598377220.db2.gz UHCDYHMKFXUGDC-BQYQJAHWSA-N -1 3 363.421 3.136 20 30 FGEDHM COc1ccc(C)cc1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2 ZINC000737078122 598377222 /nfs/dbraw/zinc/37/72/22/598377222.db2.gz UHCDYHMKFXUGDC-BQYQJAHWSA-N -1 3 363.421 3.136 20 30 FGEDHM COc1cc2c(c(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3)c1)O[C@@H](C)C2 ZINC000737042129 598502790 /nfs/dbraw/zinc/50/27/90/598502790.db2.gz POJQISQBIBXEMS-KRZKBDHCSA-N -1 3 362.389 3.095 20 30 FGEDHM COc1cc2c(c(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3)c1)O[C@@H](C)C2 ZINC000737042129 598502792 /nfs/dbraw/zinc/50/27/92/598502792.db2.gz POJQISQBIBXEMS-KRZKBDHCSA-N -1 3 362.389 3.095 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc3ncccc3c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201622 598638847 /nfs/dbraw/zinc/63/88/47/598638847.db2.gz FBWROQNAPCZFTN-CLFYSBASSA-N -1 3 370.416 3.367 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc3ncccc3c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201622 598638849 /nfs/dbraw/zinc/63/88/49/598638849.db2.gz FBWROQNAPCZFTN-CLFYSBASSA-N -1 3 370.416 3.367 20 30 FGEDHM CCC[C@H](C#N)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736414912 598668808 /nfs/dbraw/zinc/66/88/08/598668808.db2.gz AKNSBHNSVLKKJX-OAHLLOKOSA-N -1 3 362.393 3.081 20 30 FGEDHM CCC[C@H](C#N)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736414912 598668810 /nfs/dbraw/zinc/66/88/10/598668810.db2.gz AKNSBHNSVLKKJX-OAHLLOKOSA-N -1 3 362.393 3.081 20 30 FGEDHM C[C@H](SCC(=O)Nc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191056 599328550 /nfs/dbraw/zinc/32/85/50/599328550.db2.gz VOIKXZMSCWVBPU-LBPRGKRZSA-N -1 3 364.434 3.171 20 30 FGEDHM C[C@H](SCC(=O)Nc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191056 599328553 /nfs/dbraw/zinc/32/85/53/599328553.db2.gz VOIKXZMSCWVBPU-LBPRGKRZSA-N -1 3 364.434 3.171 20 30 FGEDHM N#Cc1ccccc1SCC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822842296 599348240 /nfs/dbraw/zinc/34/82/40/599348240.db2.gz ATWDGKPBFUSNMI-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1ccccc1SCC(=O)Nc1cc(Cl)ccc1-c1nn[n-]n1 ZINC000822842296 599348243 /nfs/dbraw/zinc/34/82/43/599348243.db2.gz ATWDGKPBFUSNMI-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#CC1(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)CCC1 ZINC000737675211 599373788 /nfs/dbraw/zinc/37/37/88/599373788.db2.gz OACDUMISPAIORI-UHFFFAOYSA-N -1 3 360.377 3.291 20 30 FGEDHM N#CC1(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)CCC1 ZINC000737675211 599373791 /nfs/dbraw/zinc/37/37/91/599373791.db2.gz OACDUMISPAIORI-UHFFFAOYSA-N -1 3 360.377 3.291 20 30 FGEDHM N#CCCCCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737688187 599568235 /nfs/dbraw/zinc/56/82/35/599568235.db2.gz RCXIQHLSTPVSAP-UHFFFAOYSA-N -1 3 361.409 3.034 20 30 FGEDHM C[C@H](CCc1ccccc1F)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820254598 599631172 /nfs/dbraw/zinc/63/11/72/599631172.db2.gz RMXZYBGDFGCIOD-GFCCVEGCSA-N -1 3 364.384 3.085 20 30 FGEDHM C[C@H](CCc1ccccc1F)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820254598 599631173 /nfs/dbraw/zinc/63/11/73/599631173.db2.gz RMXZYBGDFGCIOD-GFCCVEGCSA-N -1 3 364.384 3.085 20 30 FGEDHM Cc1cc2cc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)oc2cc1C ZINC000822212944 599631276 /nfs/dbraw/zinc/63/12/76/599631276.db2.gz NTXSAPRFSGMYRE-UHFFFAOYSA-N -1 3 358.361 3.354 20 30 FGEDHM Cc1cc2cc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)oc2cc1C ZINC000822212944 599631277 /nfs/dbraw/zinc/63/12/77/599631277.db2.gz NTXSAPRFSGMYRE-UHFFFAOYSA-N -1 3 358.361 3.354 20 30 FGEDHM CC[C@H](C#N)Oc1cc(CN[C@@H](C(=O)[O-])c2ccccc2)ccc1OC ZINC000736847957 600437606 /nfs/dbraw/zinc/43/76/06/600437606.db2.gz ICJTUWNNRJAKJR-VQIMIIECSA-N -1 3 354.406 3.292 20 30 FGEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833064055 601236883 /nfs/dbraw/zinc/23/68/83/601236883.db2.gz PFVZUOPNRWUHSB-SCVCMEIPSA-N -1 3 366.776 3.017 20 30 FGEDHM COc1cc([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc(OC)c1OC ZINC000831956672 601300788 /nfs/dbraw/zinc/30/07/88/601300788.db2.gz YKFLSQHVJHJYQK-KZULUSFZSA-N -1 3 370.405 3.061 20 30 FGEDHM COc1ccc(CSCCOc2ccccc2-c2nnn[n-]2)cc1C#N ZINC000826208043 607534182 /nfs/dbraw/zinc/53/41/82/607534182.db2.gz QFLGTOODCLSLQP-UHFFFAOYSA-N -1 3 367.434 3.059 20 30 FGEDHM COc1ccc(CSCCOc2ccccc2-c2nn[n-]n2)cc1C#N ZINC000826208043 607534184 /nfs/dbraw/zinc/53/41/84/607534184.db2.gz QFLGTOODCLSLQP-UHFFFAOYSA-N -1 3 367.434 3.059 20 30 FGEDHM Cc1cc(C)n(-c2ccccc2CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC000832880946 602132144 /nfs/dbraw/zinc/13/21/44/602132144.db2.gz VFOIOPGAXDRUNE-HXUWFJFHSA-N -1 3 360.417 3.276 20 30 FGEDHM CCN(CC(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1)C(=O)[O-] ZINC000739384090 602865919 /nfs/dbraw/zinc/86/59/19/602865919.db2.gz CODXSJRQFJVSIS-SECBINFHSA-N -1 3 371.340 3.491 20 30 FGEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)NC(=O)[O-])cc1 ZINC000739249186 603160708 /nfs/dbraw/zinc/16/07/08/603160708.db2.gz LGQNVNQOZTXHFH-WFASDCNBSA-N -1 3 359.426 3.284 20 30 FGEDHM N#CC(C(=O)C[C@@H](Cc1ccccc1)NC(=O)[O-])c1nc2ccccc2[nH]1 ZINC000831064000 604213554 /nfs/dbraw/zinc/21/35/54/604213554.db2.gz AUUBHQLASSHEET-CABCVRRESA-N -1 3 362.389 3.008 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000826246126 607686609 /nfs/dbraw/zinc/68/66/09/607686609.db2.gz SMZYOVJUFAYVJA-GOSISDBHSA-N -1 3 374.448 3.467 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000826246126 607686611 /nfs/dbraw/zinc/68/66/11/607686611.db2.gz SMZYOVJUFAYVJA-GOSISDBHSA-N -1 3 374.448 3.467 20 30 FGEDHM CCc1ccc(C(C)(C)C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000821476565 606127955 /nfs/dbraw/zinc/12/79/55/606127955.db2.gz PNHLEPZSSWOFPN-UHFFFAOYSA-N -1 3 360.421 3.217 20 30 FGEDHM CCc1ccc(C(C)(C)C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000821476565 606127956 /nfs/dbraw/zinc/12/79/56/606127956.db2.gz PNHLEPZSSWOFPN-UHFFFAOYSA-N -1 3 360.421 3.217 20 30 FGEDHM N#Cc1c[nH]c(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c1 ZINC000822819244 606270110 /nfs/dbraw/zinc/27/01/10/606270110.db2.gz NHDLCBOIDZENIB-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM C[C@H](OC(=O)c1cc2ccccc2n1CC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820507549 606354846 /nfs/dbraw/zinc/35/48/46/606354846.db2.gz HZUWBIMYMOMBKE-ZDUSSCGKSA-N -1 3 372.388 3.263 20 30 FGEDHM C[C@H](OC(=O)c1cc2ccccc2n1CC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820507549 606354847 /nfs/dbraw/zinc/35/48/47/606354847.db2.gz HZUWBIMYMOMBKE-ZDUSSCGKSA-N -1 3 372.388 3.263 20 30 FGEDHM N#Cc1cc(NC(=O)c2ccc(Oc3ccccc3)o2)ccc1-c1nnn[n-]1 ZINC000822823121 606372694 /nfs/dbraw/zinc/37/26/94/606372694.db2.gz LIKHBLFGSNIFRB-UHFFFAOYSA-N -1 3 372.344 3.376 20 30 FGEDHM N#Cc1cc(NC(=O)c2ccc(Oc3ccccc3)o2)ccc1-c1nn[n-]n1 ZINC000822823121 606372696 /nfs/dbraw/zinc/37/26/96/606372696.db2.gz LIKHBLFGSNIFRB-UHFFFAOYSA-N -1 3 372.344 3.376 20 30 FGEDHM CCCOc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)CO2 ZINC000821134490 606390184 /nfs/dbraw/zinc/39/01/84/606390184.db2.gz XLDAZOWNLFLLDB-DHZHZOJOSA-N -1 3 368.418 3.376 20 30 FGEDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCC#Cc2ccc(Cl)cc2)n1 ZINC000822427581 606429184 /nfs/dbraw/zinc/42/91/84/606429184.db2.gz PMNAFQXKYADFFT-UHFFFAOYSA-N -1 3 356.842 3.071 20 30 FGEDHM CCCNc1ccc(C#N)cc1NC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000821128642 607041665 /nfs/dbraw/zinc/04/16/65/607041665.db2.gz YMTCXIBUMCRSPA-NTMALXAHSA-N -1 3 373.420 3.212 20 30 FGEDHM CCCNc1ccc(C#N)cc1NC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000821128642 607041666 /nfs/dbraw/zinc/04/16/66/607041666.db2.gz YMTCXIBUMCRSPA-NTMALXAHSA-N -1 3 373.420 3.212 20 30 FGEDHM FC(F)(F)c1cccc(N=NCc2c[nH]c3ccc(-c4nnn[n-]4)cc23)n1 ZINC000822727920 607148921 /nfs/dbraw/zinc/14/89/21/607148921.db2.gz BZLZTHAGNVAFKE-UHFFFAOYSA-N -1 3 372.314 3.208 20 30 FGEDHM FC(F)(F)c1cccc(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)n1 ZINC000822727920 607148924 /nfs/dbraw/zinc/14/89/24/607148924.db2.gz BZLZTHAGNVAFKE-UHFFFAOYSA-N -1 3 372.314 3.208 20 30 FGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000822922190 607151540 /nfs/dbraw/zinc/15/15/40/607151540.db2.gz CWZNJIHVWXISQL-FLIBITNWSA-N -1 3 356.389 3.008 20 30 FGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1cnn(Cc2ccccc2)c1 ZINC000822922190 607151541 /nfs/dbraw/zinc/15/15/41/607151541.db2.gz CWZNJIHVWXISQL-FLIBITNWSA-N -1 3 356.389 3.008 20 30 FGEDHM N#CCC[C@@H](C#N)COc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826381667 607878147 /nfs/dbraw/zinc/87/81/47/607878147.db2.gz UJCZXYFTMAGMQF-AWEZNQCLSA-N -1 3 360.377 3.481 20 30 FGEDHM N#CCC[C@@H](C#N)COc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826381667 607878148 /nfs/dbraw/zinc/87/81/48/607878148.db2.gz UJCZXYFTMAGMQF-AWEZNQCLSA-N -1 3 360.377 3.481 20 30 FGEDHM Fc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1C(F)(F)F ZINC000826373911 607889713 /nfs/dbraw/zinc/88/97/13/607889713.db2.gz DREYMAIATVSDDR-UHFFFAOYSA-N -1 3 364.306 3.148 20 30 FGEDHM Fc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1C(F)(F)F ZINC000826373911 607889714 /nfs/dbraw/zinc/88/97/14/607889714.db2.gz DREYMAIATVSDDR-UHFFFAOYSA-N -1 3 364.306 3.148 20 30 FGEDHM N#Cc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1-c1nnn[n-]1 ZINC000826385229 607926717 /nfs/dbraw/zinc/92/67/17/607926717.db2.gz CGBUJDLAVXUBAO-HZSPNIEDSA-N -1 3 350.426 3.283 20 30 FGEDHM N#Cc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1-c1nn[n-]n1 ZINC000826385229 607926718 /nfs/dbraw/zinc/92/67/18/607926718.db2.gz CGBUJDLAVXUBAO-HZSPNIEDSA-N -1 3 350.426 3.283 20 30 FGEDHM N#Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1-c1nnn[n-]1 ZINC000826385228 607926745 /nfs/dbraw/zinc/92/67/45/607926745.db2.gz CGBUJDLAVXUBAO-BFHYXJOUSA-N -1 3 350.426 3.283 20 30 FGEDHM N#Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1-c1nn[n-]n1 ZINC000826385228 607926746 /nfs/dbraw/zinc/92/67/46/607926746.db2.gz CGBUJDLAVXUBAO-BFHYXJOUSA-N -1 3 350.426 3.283 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1CCC(F)(F)CC1 ZINC000823909489 607979356 /nfs/dbraw/zinc/97/93/56/607979356.db2.gz GDCBRBOKIGJNRA-UHFFFAOYSA-N -1 3 361.396 3.207 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1CCC(F)(F)CC1 ZINC000823909489 607979357 /nfs/dbraw/zinc/97/93/57/607979357.db2.gz GDCBRBOKIGJNRA-UHFFFAOYSA-N -1 3 361.396 3.207 20 30 FGEDHM CN(Cc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1Br ZINC000825966221 608047814 /nfs/dbraw/zinc/04/78/14/608047814.db2.gz TXBFIEUBMMXYLL-UHFFFAOYSA-N -1 3 369.226 3.137 20 30 FGEDHM N#Cc1ccccc1-c1ccc(CNc2ncccc2-c2nnn[n-]2)cc1 ZINC000826387074 608295081 /nfs/dbraw/zinc/29/50/81/608295081.db2.gz FQCSPKDBQPEFIT-UHFFFAOYSA-N -1 3 353.389 3.412 20 30 FGEDHM N#Cc1ccccc1-c1ccc(CNc2ncccc2-c2nn[n-]n2)cc1 ZINC000826387074 608295083 /nfs/dbraw/zinc/29/50/83/608295083.db2.gz FQCSPKDBQPEFIT-UHFFFAOYSA-N -1 3 353.389 3.412 20 30 FGEDHM C#CCCCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000823837722 608295122 /nfs/dbraw/zinc/29/51/22/608295122.db2.gz GIUWJTKHVIXCEN-UHFFFAOYSA-N -1 3 362.393 3.186 20 30 FGEDHM C=C(CC)COC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000823878087 608317987 /nfs/dbraw/zinc/31/79/87/608317987.db2.gz OEAZSHDYWHLUPP-UHFFFAOYSA-N -1 3 351.366 3.177 20 30 FGEDHM C=C(CC)COC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000823878087 608317990 /nfs/dbraw/zinc/31/79/90/608317990.db2.gz OEAZSHDYWHLUPP-UHFFFAOYSA-N -1 3 351.366 3.177 20 30 FGEDHM Clc1ccc2c(c1)OCCCC2=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826353029 608389123 /nfs/dbraw/zinc/38/91/23/608389123.db2.gz YHMCADRNQDLXRF-UHFFFAOYSA-N -1 3 368.828 3.187 20 30 FGEDHM Clc1ccc2c(c1)OCCCC2=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826353029 608389125 /nfs/dbraw/zinc/38/91/25/608389125.db2.gz YHMCADRNQDLXRF-UHFFFAOYSA-N -1 3 368.828 3.187 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826379832 608399698 /nfs/dbraw/zinc/39/96/98/608399698.db2.gz DDPKMHBRYPFRKD-ROUUACIJSA-N -1 3 362.412 3.278 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cccc(-c2nn[n-]n2)c1F ZINC000826379832 608399699 /nfs/dbraw/zinc/39/96/99/608399699.db2.gz DDPKMHBRYPFRKD-ROUUACIJSA-N -1 3 362.412 3.278 20 30 FGEDHM N#Cc1ccc(F)cc1CN1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826385715 608466657 /nfs/dbraw/zinc/46/66/57/608466657.db2.gz XXEVVEGUJQJWRD-UHFFFAOYSA-N -1 3 360.396 3.167 20 30 FGEDHM N#Cc1ccc(F)cc1CN1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826385715 608466659 /nfs/dbraw/zinc/46/66/59/608466659.db2.gz XXEVVEGUJQJWRD-UHFFFAOYSA-N -1 3 360.396 3.167 20 30 FGEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC[C@H]2CCCc3ccccc32)n1 ZINC000826350193 608540792 /nfs/dbraw/zinc/54/07/92/608540792.db2.gz LPCAZDLUPMCYRB-GFCCVEGCSA-N -1 3 353.817 3.433 20 30 FGEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC[C@H]2CCCc3ccccc32)n1 ZINC000826350193 608540793 /nfs/dbraw/zinc/54/07/93/608540793.db2.gz LPCAZDLUPMCYRB-GFCCVEGCSA-N -1 3 353.817 3.433 20 30 FGEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCCCCOc2ccccc2)n1 ZINC000826350327 608541044 /nfs/dbraw/zinc/54/10/44/608541044.db2.gz QYPCLCUJAHOZLJ-UHFFFAOYSA-N -1 3 357.805 3.172 20 30 FGEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCCCCOc2ccccc2)n1 ZINC000826350327 608541046 /nfs/dbraw/zinc/54/10/46/608541046.db2.gz QYPCLCUJAHOZLJ-UHFFFAOYSA-N -1 3 357.805 3.172 20 30 FGEDHM C[C@@H](CC#N)N(C)Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824384558 608680158 /nfs/dbraw/zinc/68/01/58/608680158.db2.gz DRSJNGBZFLMBFU-HNNXBMFYSA-N -1 3 362.437 3.180 20 30 FGEDHM C[C@@H](CC#N)N(C)Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824384558 608680159 /nfs/dbraw/zinc/68/01/59/608680159.db2.gz DRSJNGBZFLMBFU-HNNXBMFYSA-N -1 3 362.437 3.180 20 30 FGEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CO2 ZINC000826263982 608877549 /nfs/dbraw/zinc/87/75/49/608877549.db2.gz YECILWPFNHSTGC-NTUHNPAUSA-N -1 3 350.353 3.281 20 30 FGEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)CO2 ZINC000826263982 608877550 /nfs/dbraw/zinc/87/75/50/608877550.db2.gz YECILWPFNHSTGC-NTUHNPAUSA-N -1 3 350.353 3.281 20 30 FGEDHM CN(CCC#N)c1ccc(CNc2ccc(Cl)c(-c3nnn[n-]3)c2)cc1 ZINC000825915204 609199507 /nfs/dbraw/zinc/19/95/07/609199507.db2.gz VCGBCCGEQLWJSK-UHFFFAOYSA-N -1 3 367.844 3.482 20 30 FGEDHM CN(CCC#N)c1ccc(CNc2ccc(Cl)c(-c3nn[n-]n3)c2)cc1 ZINC000825915204 609199508 /nfs/dbraw/zinc/19/95/08/609199508.db2.gz VCGBCCGEQLWJSK-UHFFFAOYSA-N -1 3 367.844 3.482 20 30 FGEDHM Cc1cccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826295542 609307971 /nfs/dbraw/zinc/30/79/71/609307971.db2.gz MAZXBWNCDUJVBB-KHPPLWFESA-N -1 3 370.416 3.472 20 30 FGEDHM Cc1cccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826295542 609307973 /nfs/dbraw/zinc/30/79/73/609307973.db2.gz MAZXBWNCDUJVBB-KHPPLWFESA-N -1 3 370.416 3.472 20 30 FGEDHM N#Cc1ccnc(SCc2ccc(-c3nnn[n-]3)cc2Br)c1 ZINC000826387925 609310231 /nfs/dbraw/zinc/31/02/31/609310231.db2.gz ZJTSHUSKIWITHG-UHFFFAOYSA-N -1 3 373.239 3.188 20 30 FGEDHM N#Cc1ccnc(SCc2ccc(-c3nn[n-]n3)cc2Br)c1 ZINC000826387925 609310232 /nfs/dbraw/zinc/31/02/32/609310232.db2.gz ZJTSHUSKIWITHG-UHFFFAOYSA-N -1 3 373.239 3.188 20 30 FGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826401233 609442591 /nfs/dbraw/zinc/44/25/91/609442591.db2.gz SWQSSQMEVIVWMN-QHHAFSJGSA-N -1 3 373.731 3.464 20 30 FGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826401233 609442594 /nfs/dbraw/zinc/44/25/94/609442594.db2.gz SWQSSQMEVIVWMN-QHHAFSJGSA-N -1 3 373.731 3.464 20 30 FGEDHM N#Cc1cc(Cl)ccc1COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826383601 609617770 /nfs/dbraw/zinc/61/77/70/609617770.db2.gz IHVHPBACAUIAOB-VURMDHGXSA-N -1 3 365.780 3.148 20 30 FGEDHM N#Cc1cc(Cl)ccc1COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826383601 609617771 /nfs/dbraw/zinc/61/77/71/609617771.db2.gz IHVHPBACAUIAOB-VURMDHGXSA-N -1 3 365.780 3.148 20 30 FGEDHM CCOc1ncc(C([O-])=C(C#N)C(=O)Nc2cccc(C)c2)cc1Cl ZINC000112483899 700560090 /nfs/dbraw/zinc/56/00/90/700560090.db2.gz DJQSXHAAINPBSI-CQSZACIVSA-N -1 3 357.797 3.403 20 30 FGEDHM O=C([N-]C1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(F)(F)C(F)F ZINC000175990903 705567100 /nfs/dbraw/zinc/56/71/00/705567100.db2.gz HJRFUXZZTCNWAY-UHFFFAOYSA-N -1 3 373.272 3.086 20 30 FGEDHM CCCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)s1 ZINC000193471424 712892487 /nfs/dbraw/zinc/89/24/87/712892487.db2.gz VDXWBZHKNSBQFN-LBPRGKRZSA-N -1 3 357.435 3.374 20 30 FGEDHM COc1cc(C=NNc2nc3ccccc3[nH]2)cc(Br)c1[O-] ZINC000254742005 713676270 /nfs/dbraw/zinc/67/62/70/713676270.db2.gz JJNQFRKBBCFVRC-UHFFFAOYSA-N -1 3 361.199 3.486 20 30 FGEDHM CS(=O)(=O)Nc1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000255073011 713682980 /nfs/dbraw/zinc/68/29/80/713682980.db2.gz KDOSUPMRDLXPDM-UHFFFAOYSA-N -1 3 369.240 3.277 20 30 FGEDHM C=CCC[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000657077617 719558963 /nfs/dbraw/zinc/55/89/63/719558963.db2.gz WIURKQNCWGIKQK-UHFFFAOYSA-N -1 3 358.179 3.322 20 30 FGEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)F)cc2)cc1 ZINC000783825256 724793964 /nfs/dbraw/zinc/79/39/64/724793964.db2.gz AFIASYHRDTYPFP-UHFFFAOYSA-N -1 3 367.373 3.143 20 30 FGEDHM C[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000727265187 722442824 /nfs/dbraw/zinc/44/28/24/722442824.db2.gz KURBAAUOZFPZJU-ZDFPAGSVSA-N -1 3 366.870 3.476 20 30 FGEDHM COc1cc(C=NNc2ccc([N+](=O)[O-])cc2Cl)c([N+](=O)[O-])cc1[O-] ZINC000727649474 722445976 /nfs/dbraw/zinc/44/59/76/722445976.db2.gz KIHIQZIHZTUXAA-UHFFFAOYSA-N -1 3 366.717 3.317 20 30 FGEDHM C=CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccncc1 ZINC000734504661 722508049 /nfs/dbraw/zinc/50/80/49/722508049.db2.gz TXSZLZYQFZJSAM-ZDUSSCGKSA-N -1 3 367.814 3.239 20 30 FGEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1ccc(-c2ccccc2)o1 ZINC000743448369 722567595 /nfs/dbraw/zinc/56/75/95/722567595.db2.gz LVLGTFYJELYQGZ-UHFFFAOYSA-N -1 3 354.431 3.443 20 30 FGEDHM Cc1nn(C)c(C)c1C(=N[N-]c1ccc(C(F)(F)F)nn1)C(F)(F)F ZINC000754711375 722944796 /nfs/dbraw/zinc/94/47/96/722944796.db2.gz XAGYVNBJBIWZEN-UHFFFAOYSA-N -1 3 366.269 3.224 20 30 FGEDHM [O-]c1ccc(Br)cc1/C=N/Cc1cn(-c2ccccc2)nn1 ZINC000755031095 722949469 /nfs/dbraw/zinc/94/94/69/722949469.db2.gz GXDMIGUEVAJFQD-GIJQJNRQSA-N -1 3 357.211 3.355 20 30 FGEDHM [O-]c1c(Br)cc(O)cc1CN=Nc1ncnc2ccsc21 ZINC000755792028 722957056 /nfs/dbraw/zinc/95/70/56/722957056.db2.gz GLPGASCKIGLEKU-UHFFFAOYSA-N -1 3 365.212 3.311 20 30 FGEDHM COc1ccc(C[N-]C(=O)C(F)(F)c2c(F)cccc2F)cc1C#N ZINC000757127840 722975046 /nfs/dbraw/zinc/97/50/46/722975046.db2.gz ZKCDBECBGGAXEQ-UHFFFAOYSA-N -1 3 352.287 3.253 20 30 FGEDHM O=[N+]([O-])c1ccccc1N=NCc1cc(O)c([O-])c(Br)c1 ZINC000757562260 722977040 /nfs/dbraw/zinc/97/70/40/722977040.db2.gz XMEONNIWKKKUFJ-UHFFFAOYSA-N -1 3 352.144 3.215 20 30 FGEDHM COCc1ccc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)o1 ZINC000764668183 723435894 /nfs/dbraw/zinc/43/58/94/723435894.db2.gz XQYCHZMOFOVYAK-UHFFFAOYSA-N -1 3 360.464 3.481 20 30 FGEDHM Cc1ncc(CO)c(/C=N\Cc2cc(F)c(F)cc2Br)c1[O-] ZINC000794677616 723540387 /nfs/dbraw/zinc/54/03/87/723540387.db2.gz WLARZDXXUAILGX-SWNXQHNESA-N -1 3 371.181 3.248 20 30 FGEDHM COCCCON=C(C)c1c[n-]c2ccc(Br)cc2c1=O ZINC000795051085 723558971 /nfs/dbraw/zinc/55/89/71/723558971.db2.gz MQCIQSUDZIMJJI-UHFFFAOYSA-N -1 3 353.216 3.068 20 30 FGEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nc(C(C)C)no1 ZINC000795766298 723609104 /nfs/dbraw/zinc/60/91/04/723609104.db2.gz JFCRWUGGDRJORU-ZDUSSCGKSA-N -1 3 362.455 3.163 20 30 FGEDHM CC(C)Oc1cncc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000770100007 723706126 /nfs/dbraw/zinc/70/61/26/723706126.db2.gz MOWUFYYMLGSOHV-AWEZNQCLSA-N -1 3 357.797 3.483 20 30 FGEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(N(C)C)c(F)c2)n1 ZINC000770118960 723706553 /nfs/dbraw/zinc/70/65/53/723706553.db2.gz NUGUKYRVAKOSRM-LLVKDONJSA-N -1 3 361.398 3.015 20 30 FGEDHM C#C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Br)C(C)C ZINC000798472016 723935399 /nfs/dbraw/zinc/93/53/99/723935399.db2.gz DVZWPRTWUZWHQF-JTQLQIEISA-N -1 3 350.665 3.039 20 30 FGEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000776280431 724127978 /nfs/dbraw/zinc/12/79/78/724127978.db2.gz QKHBJKZGCGTCQX-UHFFFAOYSA-N -1 3 365.172 3.366 20 30 FGEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000811184168 725349352 /nfs/dbraw/zinc/34/93/52/725349352.db2.gz ICMPNYTZOCVLCY-SECBINFHSA-N -1 3 362.744 3.240 20 30 FGEDHM N#Cc1ccc([C@@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C(N)=O)cc1 ZINC000811395578 725361692 /nfs/dbraw/zinc/36/16/92/725361692.db2.gz HNLJLMNTGMGXPM-CYBMUJFWSA-N -1 3 359.794 3.138 20 30 FGEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@@H](Sc1ccccc1)c1ccccc1 ZINC000816752722 727193060 /nfs/dbraw/zinc/19/30/60/727193060.db2.gz MNAGRQAYHOBNJZ-SJORKVTESA-N -1 3 356.447 3.016 20 30 FGEDHM COc1cc(C)c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1OC ZINC000821707634 729107874 /nfs/dbraw/zinc/10/78/74/729107874.db2.gz BSKLAOUNGZYHOF-PLNGDYQASA-N -1 3 356.407 3.150 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FGEDHM Cc1c(C(=O)N([O-])Cc2ccc(F)cc2)nnn1-c1ccccc1Cl ZINC000901374183 743261655 /nfs/dbraw/zinc/26/16/55/743261655.db2.gz GHUAIJXKCIWKFZ-UHFFFAOYSA-N -1 3 360.776 3.400 20 30 FGEDHM Cc1c(C(=O)N([O-])Cc2ccc(F)cc2)nnn1-c1cccc(Cl)c1 ZINC000901374673 743261983 /nfs/dbraw/zinc/26/19/83/743261983.db2.gz QKKFGUICOKIRRN-UHFFFAOYSA-N -1 3 360.776 3.400 20 30 FGEDHM CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901374885 743262155 /nfs/dbraw/zinc/26/21/55/743262155.db2.gz VKPFMYSYONSWEE-HNNXBMFYSA-N -1 3 352.406 3.333 20 30 FGEDHM C=CCOc1c(Br)cc(CN(CC=C)CC(=O)[O-])cc1OC ZINC000901585542 743592738 /nfs/dbraw/zinc/59/27/38/743592738.db2.gz AADCBDZZZLMLLG-UHFFFAOYSA-N -1 3 370.243 3.095 20 30 FGEDHM CC(C)(C)c1cc([N-]C(=O)c2coc3c2C(=O)NCCC3)c(C#N)s1 ZINC000904052288 743920081 /nfs/dbraw/zinc/92/00/81/743920081.db2.gz LYVDJMFTMSORCG-UHFFFAOYSA-N -1 3 357.435 3.439 20 30 FGEDHM Cn1ncc2c1C[C@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)CC2 ZINC000904179821 743935697 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Cc1ncc(CO)c(/C=N\CCc2ccc(F)c(Br)c2)c1[O-] ZINC000917558682 758238534 /nfs/dbraw/zinc/23/85/34/758238534.db2.gz UZAKYYRHENFZRH-UWVJOHFNSA-N -1 3 367.218 3.151 20 30 FGEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(F)cc2Br)c1[O-] ZINC000920173954 758520811 /nfs/dbraw/zinc/52/08/11/758520811.db2.gz HUFVPJKOMSIRQK-CNHKJKLMSA-N -1 3 353.191 3.109 20 30 FGEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1ccccc1OC(F)(F)F ZINC000920382849 758546027 /nfs/dbraw/zinc/54/60/27/758546027.db2.gz BILXYGFTBXTDEQ-UHFFFAOYSA-N -1 3 358.341 3.039 20 30 FGEDHM CC(=NNS(=O)(=O)Cc1ccccc1)c1ccc2ccccc2c1[O-] ZINC000920386527 758548036 /nfs/dbraw/zinc/54/80/36/758548036.db2.gz BPDJRSPCMINUAK-UHFFFAOYSA-N -1 3 354.431 3.389 20 30 FGEDHM Cc1c(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)nnn1CC1CCCC1 ZINC000570906053 505608293 /nfs/dbraw/zinc/60/82/93/505608293.db2.gz XRVGZAODIWKWAK-HNNXBMFYSA-N -1 3 362.437 3.452 20 30 FGEDHM C=CCCCN(C)C(=O)C(=O)[N-]c1scc(CC(C)C)c1C(=O)OC ZINC000076312480 493864646 /nfs/dbraw/zinc/86/46/46/493864646.db2.gz VMKOJLUGUSGJMK-UHFFFAOYSA-N -1 3 366.483 3.096 20 30 FGEDHM N#CCc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000029967143 493870943 /nfs/dbraw/zinc/87/09/43/493870943.db2.gz MDPMBPNIZGEGQM-UHFFFAOYSA-N -1 3 356.325 3.452 20 30 FGEDHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(F)c(C#N)c2)cc1 ZINC000076881196 493984272 /nfs/dbraw/zinc/98/42/72/493984272.db2.gz OYVYDHXZEYFGMG-UHFFFAOYSA-N -1 3 361.398 3.101 20 30 FGEDHM N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000061889690 493998386 /nfs/dbraw/zinc/99/83/86/493998386.db2.gz PAERMSTXWZFLBI-KWQFWETISA-N -1 3 363.664 3.073 20 30 FGEDHM COc1ccccc1-c1nc(NC(=O)CN(C)c2ccc(Cl)cn2)n[n-]1 ZINC000064490088 494128934 /nfs/dbraw/zinc/12/89/34/494128934.db2.gz QJXOVDFCWWGTAK-UHFFFAOYSA-N -1 3 372.816 3.253 20 30 FGEDHM Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)ccc1[N+](=O)[O-] ZINC000088547256 494248866 /nfs/dbraw/zinc/24/88/66/494248866.db2.gz WCSNRUYZYXECMI-UHFFFAOYSA-N -1 3 351.771 3.229 20 30 FGEDHM N#Cc1ccc(CN2CCCN(C(=O)c3cc(Cl)ccc3[O-])CC2)cc1 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20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)c(F)c1 ZINC000151008291 495710317 /nfs/dbraw/zinc/71/03/17/495710317.db2.gz QFIPVGCOZZSQKQ-UHFFFAOYSA-N -1 3 358.316 3.195 20 30 FGEDHM Cc1nc(C)c(CCC(=O)Nc2ccccc2C#Cc2ccccc2)c(=O)[n-]1 ZINC000173849458 495718129 /nfs/dbraw/zinc/71/81/29/495718129.db2.gz GZOSWHOBWCKWOF-UHFFFAOYSA-N -1 3 371.440 3.358 20 30 FGEDHM N#Cc1ccc(-c2nnc(CSc3n[n-]c(-c4ccccn4)n3)o2)cc1 ZINC000151063905 495727939 /nfs/dbraw/zinc/72/79/39/495727939.db2.gz ATUAOZRLIKIKBB-UHFFFAOYSA-N -1 3 361.390 3.081 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)c2ccncc2)c(F)c1 ZINC000151106940 495740539 /nfs/dbraw/zinc/74/05/39/495740539.db2.gz YFTMQZFABYOHHH-LJQANCHMSA-N -1 3 367.405 3.160 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc2ccc(O)cc21 ZINC000154939570 495779232 /nfs/dbraw/zinc/77/92/32/495779232.db2.gz JMFRZGCCOWINIZ-UHFFFAOYSA-N -1 3 361.401 3.294 20 30 FGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccccc1N1CCCCC1 ZINC000183496018 496009299 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Cc1cccc(C(C)(C)C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)c1 ZINC000443032604 500666740 /nfs/dbraw/zinc/66/67/40/500666740.db2.gz KIDLETWYWVAUPL-UHFFFAOYSA-N -1 3 373.434 3.031 20 30 FGEDHM CCc1cc(C#N)c([N-]C(=O)c2cn(-c3cc(C)cc(F)c3)nn2)s1 ZINC000448197721 500731860 /nfs/dbraw/zinc/73/18/60/500731860.db2.gz PHZOVMPZHJXIHW-UHFFFAOYSA-N -1 3 355.398 3.463 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CC(F)(F)F)C(C)C ZINC000438614607 500808370 /nfs/dbraw/zinc/80/83/70/500808370.db2.gz PVNODNYOXXTRPC-AWEZNQCLSA-N -1 3 357.376 3.302 20 30 FGEDHM C=C1CCN(C(=O)c2c[n-]c3c(OC(F)(F)F)cccc3c2=O)CC1 ZINC000444183161 500814172 /nfs/dbraw/zinc/81/41/72/500814172.db2.gz NFIJFTMNZQBJEK-UHFFFAOYSA-N -1 3 352.312 3.219 20 30 FGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nc(C(F)(F)F)cs1 ZINC000435418795 500970566 /nfs/dbraw/zinc/97/05/66/500970566.db2.gz RHEQJKHQBVCJNT-ZCFIWIBFSA-N -1 3 367.399 3.135 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Oc3ccccc3)nc2)s1 ZINC000435431279 500973806 /nfs/dbraw/zinc/97/38/06/500973806.db2.gz CLOCSLNYTQCGKR-UHFFFAOYSA-N -1 3 371.443 3.286 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2N2CCCCC2)s1 ZINC000435432494 500974892 /nfs/dbraw/zinc/97/48/92/500974892.db2.gz IYIPDJUSEDPLQS-UHFFFAOYSA-N -1 3 361.492 3.089 20 30 FGEDHM C=CCCCNC(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436797462 501213156 /nfs/dbraw/zinc/21/31/56/501213156.db2.gz NRVHAOAGWGYLGN-IBGZPJMESA-N -1 3 352.434 3.336 20 30 FGEDHM CC(C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C(F)(F)F ZINC000451033973 501240955 /nfs/dbraw/zinc/24/09/55/501240955.db2.gz VRIBPBXBNQWTMO-UHFFFAOYSA-N -1 3 360.279 3.196 20 30 FGEDHM N#Cc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CC(F)(F)F)ccc1F ZINC000451750013 501365522 /nfs/dbraw/zinc/36/55/22/501365522.db2.gz SRVVTGXCAQAMFD-HZMBPMFUSA-N -1 3 364.364 3.487 20 30 FGEDHM N#CCCC[C@H](NC(=O)NCc1nnc(C(F)(F)F)[n-]1)c1ccccc1 ZINC000458656878 501500292 /nfs/dbraw/zinc/50/02/92/501500292.db2.gz NEKLTBPNBDWVAD-LBPRGKRZSA-N -1 3 366.347 3.058 20 30 FGEDHM N#CCCC[C@H](NC(=O)NCc1n[n-]c(C(F)(F)F)n1)c1ccccc1 ZINC000458656878 501500296 /nfs/dbraw/zinc/50/02/96/501500296.db2.gz NEKLTBPNBDWVAD-LBPRGKRZSA-N -1 3 366.347 3.058 20 30 FGEDHM N#CCCC[C@H](NC(=O)NCc1nc(C(F)(F)F)n[n-]1)c1ccccc1 ZINC000458656878 501500298 /nfs/dbraw/zinc/50/02/98/501500298.db2.gz NEKLTBPNBDWVAD-LBPRGKRZSA-N -1 3 366.347 3.058 20 30 FGEDHM C=CCN(CC(F)(F)F)C(=O)Cc1ccc(Br)cc1[O-] ZINC000477612574 501738408 /nfs/dbraw/zinc/73/84/08/501738408.db2.gz POPFUJRAXLWHDB-UHFFFAOYSA-N -1 3 352.150 3.274 20 30 FGEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(NCc2cc(C#N)cs2)ccc1F ZINC000485289715 501777957 /nfs/dbraw/zinc/77/79/57/501777957.db2.gz KXAGQVAKJIQKLO-UHFFFAOYSA-N -1 3 367.471 3.448 20 30 FGEDHM N#Cc1cnccc1[N-]C(=O)c1ccc(S(=O)(=O)c2ccccc2)s1 ZINC000467520956 501815815 /nfs/dbraw/zinc/81/58/15/501815815.db2.gz ONXZZFQIWCDDCG-UHFFFAOYSA-N -1 3 369.427 3.100 20 30 FGEDHM CC(C)[C@H]([N-]C(=O)C(=O)Nc1ccc(F)cc1C(F)(F)F)C(F)(F)F ZINC000471185500 501949351 /nfs/dbraw/zinc/94/93/51/501949351.db2.gz IBTUBYVECXWNCK-JTQLQIEISA-N -1 3 374.256 3.486 20 30 FGEDHM Cc1nn(C)c2nc(C)c(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)cc12 ZINC000464423605 501985361 /nfs/dbraw/zinc/98/53/61/501985361.db2.gz DMLVILFBVAMHTI-CQSZACIVSA-N -1 3 373.338 3.489 20 30 FGEDHM N#CC(=C([O-])c1ccc(-n2cncn2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000464463380 501997084 /nfs/dbraw/zinc/99/70/84/501997084.db2.gz FQNGWNWVNRWRBN-AWEZNQCLSA-N -1 3 357.295 3.171 20 30 FGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cc(N(C)C)nc4ccccc43)nc1-2 ZINC000478621858 502037201 /nfs/dbraw/zinc/03/72/01/502037201.db2.gz LQVGTJMUIHKNEH-OAHLLOKOSA-N -1 3 370.416 3.371 20 30 FGEDHM C=C[C@@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000465112914 502194058 /nfs/dbraw/zinc/19/40/58/502194058.db2.gz QBWRNFBQLNINEV-GFCCVEGCSA-N -1 3 364.854 3.445 20 30 FGEDHM C[C@@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1ccc(F)cc1 ZINC000475574219 502216349 /nfs/dbraw/zinc/21/63/49/502216349.db2.gz KFXXMFHDVTZCLK-NSHDSACASA-N -1 3 352.818 3.433 20 30 FGEDHM C=CCOc1ccccc1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475793206 502293255 /nfs/dbraw/zinc/29/32/55/502293255.db2.gz YQPRGVSYCXGVMU-UHFFFAOYSA-N -1 3 362.838 3.255 20 30 FGEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1cc(Br)ccc1F ZINC000475792761 502293669 /nfs/dbraw/zinc/29/36/69/502293669.db2.gz RGMOGJZVNWIISD-UHFFFAOYSA-N -1 3 369.215 3.455 20 30 FGEDHM C[C@@H](C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1cccc(C#N)c1 ZINC000462198247 502345849 /nfs/dbraw/zinc/34/58/49/502345849.db2.gz IXBYDUPMQCMPJU-LLVKDONJSA-N -1 3 352.344 3.391 20 30 FGEDHM C[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)Oc1ccc(F)cc1 ZINC000476310518 502451558 /nfs/dbraw/zinc/45/15/58/502451558.db2.gz VWSVQEXRBHCEEI-LLVKDONJSA-N -1 3 368.817 3.097 20 30 FGEDHM CO[C@@H](c1ccccc1F)[C@H](C)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000476519933 502512126 /nfs/dbraw/zinc/51/21/26/502512126.db2.gz ZDIHQWVEDVJOGL-WMLDXEAASA-N -1 3 368.474 3.295 20 30 FGEDHM COc1cn(-c2ccccc2)nc1C(=O)[N-]c1nc2c(cc1C#N)CCCC2 ZINC000484168309 502591779 /nfs/dbraw/zinc/59/17/79/502591779.db2.gz XYFWYIJDUMMOCY-UHFFFAOYSA-N -1 3 373.416 3.279 20 30 FGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(-c3n[nH]c(C4CC4)n3)cc2)nc(C)n1 ZINC000473489654 502608581 /nfs/dbraw/zinc/60/85/81/502608581.db2.gz LJWDJLUWBUWCRM-MRXNPFEDSA-N -1 3 358.405 3.246 20 30 FGEDHM N#Cc1ccc(CS(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCCO2)c(F)c1 ZINC000481021895 502730612 /nfs/dbraw/zinc/73/06/12/502730612.db2.gz SFAYHLJFCQTAIR-RBUKOAKNSA-N -1 3 374.437 3.037 20 30 FGEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@H](c2ccccc2)[C@H]2CCCO2)c1 ZINC000500698315 502842349 /nfs/dbraw/zinc/84/23/49/502842349.db2.gz YBIFFEVXNMTJLJ-RTBURBONSA-N -1 3 374.437 3.037 20 30 FGEDHM COC(=O)c1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cn1C ZINC000496357563 502886328 /nfs/dbraw/zinc/88/63/28/502886328.db2.gz NRDOLPHBEVIGRU-LLVKDONJSA-N -1 3 372.331 3.047 20 30 FGEDHM N#CC(=C([O-])c1ccc(OC(F)F)c(F)c1)c1nnc2n1CCCCC2 ZINC000496723979 502901870 /nfs/dbraw/zinc/90/18/70/502901870.db2.gz SKQFXRQPJRBQDD-NSHDSACASA-N -1 3 364.327 3.235 20 30 FGEDHM N#Cc1ccccc1-c1ccc(CN2CCC[C@H](c3n[n-]c(=N)o3)C2)cc1 ZINC000602893943 506341515 /nfs/dbraw/zinc/34/15/15/506341515.db2.gz CXQQYBIGEHAGJO-SFHVURJKSA-N -1 3 359.433 3.400 20 30 FGEDHM CC(C)n1ncc2cc(C([O-])=C(C#N)c3nc4ccccc4n3C)cnc21 ZINC000513671265 502996343 /nfs/dbraw/zinc/99/63/43/502996343.db2.gz HMGJDVWLTTWROW-OAHLLOKOSA-N -1 3 358.405 3.389 20 30 FGEDHM C=CCCCS(=O)(=O)[N-][C@H](C)c1nc(-c2ccc(C)c(F)c2)no1 ZINC000489727289 503019925 /nfs/dbraw/zinc/01/99/25/503019925.db2.gz VJNDJVSEUHCUBJ-GFCCVEGCSA-N -1 3 353.419 3.131 20 30 FGEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000515250274 503302527 /nfs/dbraw/zinc/30/25/27/503302527.db2.gz YGJYXFIZZVAKMJ-JTQLQIEISA-N -1 3 365.680 3.319 20 30 FGEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000508039746 503417188 /nfs/dbraw/zinc/41/71/88/503417188.db2.gz IONCJDRFVAKFPJ-ZDUSSCGKSA-N -1 3 360.913 3.478 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOc2ccc(Cl)cc2)c(Cl)c1 ZINC000503475555 503417212 /nfs/dbraw/zinc/41/72/12/503417212.db2.gz ZSQKIIKOPIIWNU-UHFFFAOYSA-N -1 3 371.245 3.222 20 30 FGEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000508100415 503430780 /nfs/dbraw/zinc/43/07/80/503430780.db2.gz FZXPBAYUTCVMRW-CYBMUJFWSA-N -1 3 366.430 3.160 20 30 FGEDHM CC(C)C[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCO1 ZINC000503842422 503477462 /nfs/dbraw/zinc/47/74/62/503477462.db2.gz DETJYAPEUBJIFW-UONOGXRCSA-N -1 3 356.875 3.084 20 30 FGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1cc(F)c(F)c(F)c1 ZINC000503849736 503478002 /nfs/dbraw/zinc/47/80/02/503478002.db2.gz ZBWXXDSTZPOIAS-UHFFFAOYSA-N -1 3 374.771 3.150 20 30 FGEDHM COC(=O)c1cnc(C(=O)[N-]c2sc3c(c2C#N)CCCCCC3)cn1 ZINC000504095798 503522663 /nfs/dbraw/zinc/52/26/63/503522663.db2.gz ZHYCKSJRWSVPHM-UHFFFAOYSA-N -1 3 370.434 3.108 20 30 FGEDHM N#CCc1ccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000494620608 503576349 /nfs/dbraw/zinc/57/63/49/503576349.db2.gz YFLGDHCCJOIAOH-UHFFFAOYSA-N -1 3 370.352 3.495 20 30 FGEDHM Cc1cc(C)cc(-c2cc(=NC(=O)[C@@H](C)Oc3ccccc3C#N)[nH][n-]2)c1 ZINC000512530319 503577681 /nfs/dbraw/zinc/57/76/81/503577681.db2.gz HAQICNYAFHLBAX-OAHLLOKOSA-N -1 3 360.417 3.393 20 30 FGEDHM COc1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c(C)c1 ZINC000533091162 503728325 /nfs/dbraw/zinc/72/83/25/503728325.db2.gz BPQXXKHLEIPFAO-UHFFFAOYSA-N -1 3 350.827 3.007 20 30 FGEDHM Cc1oc2ccccc2c1CC[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000546627279 503813636 /nfs/dbraw/zinc/81/36/36/503813636.db2.gz VFHBYFGQGWAIDG-UHFFFAOYSA-N -1 3 358.394 3.273 20 30 FGEDHM CO[C@@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000546781620 503877091 /nfs/dbraw/zinc/87/70/91/503877091.db2.gz UITUMOVNMIDPDY-CZUORRHYSA-N -1 3 370.902 3.419 20 30 FGEDHM N#CC(=C([O-])c1ccc(OC2CCCC2)nc1)c1nnc2n1CCCCC2 ZINC000543806505 503900046 /nfs/dbraw/zinc/90/00/46/503900046.db2.gz DIIMYHFPGXRLAY-MRXNPFEDSA-N -1 3 365.437 3.211 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccc(F)cc32)c(Cl)c1 ZINC000540938904 503946258 /nfs/dbraw/zinc/94/62/58/503946258.db2.gz VTVSCZABEJRRKH-OAHLLOKOSA-N -1 3 350.802 3.317 20 30 FGEDHM Cc1cc(C(C#N)=C([O-])c2cnc(OCC3CC3)c(Cl)c2)nc(C)n1 ZINC000544150295 504028949 /nfs/dbraw/zinc/02/89/49/504028949.db2.gz YFYNNTIEIMEQGG-AWEZNQCLSA-N -1 3 356.813 3.421 20 30 FGEDHM CCc1cccc2c(CC[N-]S(=O)(=O)c3ccc(C#N)cc3F)c[nH]c21 ZINC000531144125 504205630 /nfs/dbraw/zinc/20/56/30/504205630.db2.gz GQFOANPWLAIHCU-UHFFFAOYSA-N -1 3 371.437 3.262 20 30 FGEDHM CCOC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)c([O-])c1 ZINC000538927473 504419784 /nfs/dbraw/zinc/41/97/84/504419784.db2.gz NKJPKBGUPLKSPX-UHFFFAOYSA-N -1 3 368.389 3.237 20 30 FGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000546056626 504692068 /nfs/dbraw/zinc/69/20/68/504692068.db2.gz AXRQRQGQUGEIGP-CQSZACIVSA-N -1 3 361.891 3.388 20 30 FGEDHM N#CC(=C([O-])c1ccc(-c2nc[nH]n2)cc1)c1ccc(C(F)(F)F)cn1 ZINC000556565259 504905936 /nfs/dbraw/zinc/90/59/36/504905936.db2.gz BCMTUVMQBGJJMF-ZDUSSCGKSA-N -1 3 357.295 3.376 20 30 FGEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000553565686 504950124 /nfs/dbraw/zinc/95/01/24/504950124.db2.gz BEMLBLLYTAGPPA-UHFFFAOYSA-N -1 3 363.252 3.196 20 30 FGEDHM COCC1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCCCC1 ZINC000563784597 505237608 /nfs/dbraw/zinc/23/76/08/505237608.db2.gz HFOQVLJLUYAFEX-UHFFFAOYSA-N -1 3 356.875 3.087 20 30 FGEDHM COC[C@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1cccc(Cl)c1 ZINC000564102745 505326342 /nfs/dbraw/zinc/32/63/42/505326342.db2.gz VETPUTXLCCOZCP-INIZCTEOSA-N -1 3 364.854 3.186 20 30 FGEDHM Cc1ccsc1C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000561496753 505360754 /nfs/dbraw/zinc/36/07/54/505360754.db2.gz VNFQCNSFDLUUST-UHFFFAOYSA-N -1 3 371.281 3.169 20 30 FGEDHM CC[C@@H]([N-]S(=O)(=O)CCC(C)(C)C#N)c1nc(C(F)(F)F)cs1 ZINC000561996256 505488398 /nfs/dbraw/zinc/48/83/98/505488398.db2.gz CKYDGPPGDUOKKS-SECBINFHSA-N -1 3 369.434 3.472 20 30 FGEDHM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)nc1 ZINC000599411141 506444542 /nfs/dbraw/zinc/44/45/42/506444542.db2.gz VVFPQPOENLYEIH-UHFFFAOYSA-N -1 3 363.870 3.171 20 30 FGEDHM COc1ccc2oc([C@@H](C)[N-]S(=O)(=O)c3cncc(C#N)c3)c(C)c2c1 ZINC000589277429 506505944 /nfs/dbraw/zinc/50/59/44/506505944.db2.gz WXFBWXIAFAKNGB-GFCCVEGCSA-N -1 3 371.418 3.056 20 30 FGEDHM CC(C)(C#N)c1ccc(S(=O)(=O)[N-][C@@](C)(C2CC2)C(F)(F)F)cc1 ZINC000593278533 506508309 /nfs/dbraw/zinc/50/83/09/506508309.db2.gz RINLHBZGOLRPQH-HNNXBMFYSA-N -1 3 360.401 3.497 20 30 FGEDHM C[C@H](OCCC[N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593526845 506670066 /nfs/dbraw/zinc/67/00/66/506670066.db2.gz JSKVNOUACCNVDJ-ZDUSSCGKSA-N -1 3 350.465 3.066 20 30 FGEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000593585293 506694526 /nfs/dbraw/zinc/69/45/26/506694526.db2.gz DKDUXLYHJUXZHH-OCCSQVGLSA-N -1 3 350.440 3.373 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](c2ccccn2)C1 ZINC000590401992 506809983 /nfs/dbraw/zinc/80/99/83/506809983.db2.gz PYAYNHYBFQHUKV-INIZCTEOSA-N -1 3 364.449 3.010 20 30 FGEDHM CCc1ccc([O-])c(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 ZINC000604532925 506863188 /nfs/dbraw/zinc/86/31/88/506863188.db2.gz SVVCQEOZWSFPHV-LJQANCHMSA-N -1 3 367.424 3.116 20 30 FGEDHM CC(C)[C@H](Cc1ccc(F)cc1)[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000610316406 507190437 /nfs/dbraw/zinc/19/04/37/507190437.db2.gz YPWUBDNKYBTFPM-KRWDZBQOSA-N -1 3 364.417 3.382 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H]1c1ccc(F)cc1 ZINC000598102016 507255625 /nfs/dbraw/zinc/25/56/25/507255625.db2.gz RRPCVZGAPPFERY-GOSISDBHSA-N -1 3 353.397 3.321 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CSC[C@@H]1C ZINC000594777347 507276586 /nfs/dbraw/zinc/27/65/86/507276586.db2.gz BZCALSVYKAGDIK-ZANVPECISA-N -1 3 352.506 3.111 20 30 FGEDHM CC[C@](C)(C[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)OC ZINC000594779761 507278937 /nfs/dbraw/zinc/27/89/37/507278937.db2.gz SVLWZWHEIYREAU-MRXNPFEDSA-N -1 3 352.481 3.175 20 30 FGEDHM COC1CCC([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000594783443 507280693 /nfs/dbraw/zinc/28/06/93/507280693.db2.gz BPLQJQWIIRPCKZ-UHFFFAOYSA-N -1 3 364.492 3.317 20 30 FGEDHM CC(C)([N-]S(=O)(=O)c1cnccc1C(F)(F)F)c1cccc(C#N)c1 ZINC000594810152 507286723 /nfs/dbraw/zinc/28/67/23/507286723.db2.gz VRKJHBAVWCZDGO-UHFFFAOYSA-N -1 3 369.368 3.186 20 30 FGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C1CCC2(CC2(F)F)CC1 ZINC000594871400 507301248 /nfs/dbraw/zinc/30/12/48/507301248.db2.gz ZYQOUGIWHWPKQH-UHFFFAOYSA-N -1 3 360.813 3.458 20 30 FGEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)CC(F)F ZINC000592067792 507472459 /nfs/dbraw/zinc/47/24/59/507472459.db2.gz RCIJKGGUPPVYQQ-QMMMGPOBSA-N -1 3 356.316 3.147 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCc2ccco2)c(C(F)(F)F)c1 ZINC000595377572 507476376 /nfs/dbraw/zinc/47/63/76/507476376.db2.gz OJRAZHXDSWYHNK-UHFFFAOYSA-N -1 3 358.341 3.081 20 30 FGEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3scnc3C(C)C)sc2C1 ZINC000598891921 507666709 /nfs/dbraw/zinc/66/67/09/507666709.db2.gz WJEPFKUOPAQSEC-UHFFFAOYSA-N -1 3 374.491 3.357 20 30 FGEDHM C[C@H](NC(=O)Cc1ccc(Br)cc1[O-])c1cccc(C#N)c1 ZINC000614917274 507694262 /nfs/dbraw/zinc/69/42/62/507694262.db2.gz RLSLYDVMLQTKMK-NSHDSACASA-N -1 3 359.223 3.446 20 30 FGEDHM CC[C@H](C#N)Oc1cc(CNc2ccc(-c3nn[n-]n3)cc2)ccc1OC ZINC000736310315 598829675 /nfs/dbraw/zinc/82/96/75/598829675.db2.gz XMEHUSYZINENBR-MRXNPFEDSA-N -1 3 364.409 3.168 20 30 FGEDHM CC[C@@H](C#N)Oc1cccc(CNc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000736308819 598871434 /nfs/dbraw/zinc/87/14/34/598871434.db2.gz IJKNVVLHDVSYKI-AWEZNQCLSA-N -1 3 352.373 3.299 20 30 FGEDHM N#Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1-c1nnn[n-]1 ZINC000737710560 598914225 /nfs/dbraw/zinc/91/42/25/598914225.db2.gz ZFKUABJZJXFPRP-UHFFFAOYSA-N -1 3 358.283 3.009 20 30 FGEDHM N#Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1-c1nn[n-]n1 ZINC000737710560 598914226 /nfs/dbraw/zinc/91/42/26/598914226.db2.gz ZFKUABJZJXFPRP-UHFFFAOYSA-N -1 3 358.283 3.009 20 30 FGEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000737716788 598927492 /nfs/dbraw/zinc/92/74/92/598927492.db2.gz UWKNTZVJVUMNBS-GOEBONIOSA-N -1 3 364.796 3.134 20 30 FGEDHM N#Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000737716788 598927494 /nfs/dbraw/zinc/92/74/94/598927494.db2.gz UWKNTZVJVUMNBS-GOEBONIOSA-N -1 3 364.796 3.134 20 30 FGEDHM COc1ccc2oc(C)c(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c2c1 ZINC000737121006 598928355 /nfs/dbraw/zinc/92/83/55/598928355.db2.gz VRKQJBOGWAPAJJ-UHFFFAOYSA-N -1 3 374.360 3.054 20 30 FGEDHM COc1ccc2oc(C)c(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c2c1 ZINC000737121006 598928357 /nfs/dbraw/zinc/92/83/57/598928357.db2.gz VRKQJBOGWAPAJJ-UHFFFAOYSA-N -1 3 374.360 3.054 20 30 FGEDHM N#Cc1cc(NC(=O)C=Cc2ccc(Cl)cc2)ccc1-c1nnn[n-]1 ZINC000737705240 598928463 /nfs/dbraw/zinc/92/84/63/598928463.db2.gz OZAUJZZASXEVJZ-BAQGIRSFSA-N -1 3 350.769 3.044 20 30 FGEDHM N#Cc1cc(NC(=O)C=Cc2ccc(Cl)cc2)ccc1-c1nn[n-]n1 ZINC000737705240 598928464 /nfs/dbraw/zinc/92/84/64/598928464.db2.gz OZAUJZZASXEVJZ-BAQGIRSFSA-N -1 3 350.769 3.044 20 30 FGEDHM CCCCCCCC(=O)NC1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000736444499 598930882 /nfs/dbraw/zinc/93/08/82/598930882.db2.gz GJYKYOWFVJGLJL-UHFFFAOYSA-N -1 3 370.501 3.312 20 30 FGEDHM CCCCCCCC(=O)NC1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000736444499 598930884 /nfs/dbraw/zinc/93/08/84/598930884.db2.gz GJYKYOWFVJGLJL-UHFFFAOYSA-N -1 3 370.501 3.312 20 30 FGEDHM N#Cc1cc(-c2nnn[n-]2)c(SCCCc2ccc(Cl)cc2)nc1N ZINC000737705486 598938636 /nfs/dbraw/zinc/93/86/36/598938636.db2.gz QBRWFPIGZWJDMI-UHFFFAOYSA-N -1 3 371.857 3.094 20 30 FGEDHM N#Cc1cc(-c2nn[n-]n2)c(SCCCc2ccc(Cl)cc2)nc1N ZINC000737705486 598938638 /nfs/dbraw/zinc/93/86/38/598938638.db2.gz QBRWFPIGZWJDMI-UHFFFAOYSA-N -1 3 371.857 3.094 20 30 FGEDHM C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000736135598 599043726 /nfs/dbraw/zinc/04/37/26/599043726.db2.gz CHVKEBOYSCREMA-SECBINFHSA-N -1 3 359.315 3.325 20 30 FGEDHM C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000736135598 599043730 /nfs/dbraw/zinc/04/37/30/599043730.db2.gz CHVKEBOYSCREMA-SECBINFHSA-N -1 3 359.315 3.325 20 30 FGEDHM O=C1C(=Cc2cccc3c2OCCCO3)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503538 599114112 /nfs/dbraw/zinc/11/41/12/599114112.db2.gz GOBJDRGGNNVAJH-WYMLVPIESA-N -1 3 374.400 3.241 20 30 FGEDHM O=C1C(=Cc2cccc3c2OCCCO3)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503538 599114114 /nfs/dbraw/zinc/11/41/14/599114114.db2.gz GOBJDRGGNNVAJH-WYMLVPIESA-N -1 3 374.400 3.241 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1-c1nnn[n-]1 ZINC000737718114 599114508 /nfs/dbraw/zinc/11/45/08/599114508.db2.gz FKOYNDUKCOMVOH-UHFFFAOYSA-N -1 3 359.176 3.297 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1-c1nn[n-]n1 ZINC000737718114 599114511 /nfs/dbraw/zinc/11/45/11/599114511.db2.gz FKOYNDUKCOMVOH-UHFFFAOYSA-N -1 3 359.176 3.297 20 30 FGEDHM C=C(C)COC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735402222 599128374 /nfs/dbraw/zinc/12/83/74/599128374.db2.gz MRTJKPBQBSLNDU-UHFFFAOYSA-N -1 3 350.378 3.179 20 30 FGEDHM C=C(C)COC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735402222 599128376 /nfs/dbraw/zinc/12/83/76/599128376.db2.gz MRTJKPBQBSLNDU-UHFFFAOYSA-N -1 3 350.378 3.179 20 30 FGEDHM CCOc1cccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000736650638 599154010 /nfs/dbraw/zinc/15/40/10/599154010.db2.gz GCKMJRJCGAQDFG-CLFYSBASSA-N -1 3 350.378 3.170 20 30 FGEDHM CCOc1cccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000736650638 599154013 /nfs/dbraw/zinc/15/40/13/599154013.db2.gz GCKMJRJCGAQDFG-CLFYSBASSA-N -1 3 350.378 3.170 20 30 FGEDHM CCc1ccc([C@@H](C)CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736685005 599192204 /nfs/dbraw/zinc/19/22/04/599192204.db2.gz CRRKATAFPRWFNW-ZDUSSCGKSA-N -1 3 360.421 3.433 20 30 FGEDHM CCc1ccc([C@@H](C)CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736685005 599192206 /nfs/dbraw/zinc/19/22/06/599192206.db2.gz CRRKATAFPRWFNW-ZDUSSCGKSA-N -1 3 360.421 3.433 20 30 FGEDHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1Cl ZINC000735448510 599196318 /nfs/dbraw/zinc/19/63/18/599196318.db2.gz RZPFMTQZYKUYJD-DHZHZOJOSA-N -1 3 364.796 3.434 20 30 FGEDHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1Cl ZINC000735448510 599196321 /nfs/dbraw/zinc/19/63/21/599196321.db2.gz RZPFMTQZYKUYJD-DHZHZOJOSA-N -1 3 364.796 3.434 20 30 FGEDHM COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737055561 599199518 /nfs/dbraw/zinc/19/95/18/599199518.db2.gz PESNXCOVHUWGBO-UHFFFAOYSA-N -1 3 370.372 3.152 20 30 FGEDHM COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737055561 599199521 /nfs/dbraw/zinc/19/95/21/599199521.db2.gz PESNXCOVHUWGBO-UHFFFAOYSA-N -1 3 370.372 3.152 20 30 FGEDHM C[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379590 599249072 /nfs/dbraw/zinc/24/90/72/599249072.db2.gz DSKPERMHDYSJLE-SNVBAGLBSA-N -1 3 367.800 3.274 20 30 FGEDHM C[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379590 599249075 /nfs/dbraw/zinc/24/90/75/599249075.db2.gz DSKPERMHDYSJLE-SNVBAGLBSA-N -1 3 367.800 3.274 20 30 FGEDHM C#CCCCNC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819692704 599279988 /nfs/dbraw/zinc/27/99/88/599279988.db2.gz HCCVWQCFFCYIFV-UHFFFAOYSA-N -1 3 362.393 3.194 20 30 FGEDHM C#CCCCNC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819692704 599279989 /nfs/dbraw/zinc/27/99/89/599279989.db2.gz HCCVWQCFFCYIFV-UHFFFAOYSA-N -1 3 362.393 3.194 20 30 FGEDHM N#Cc1cccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000737730183 598317980 /nfs/dbraw/zinc/31/79/80/598317980.db2.gz HGCBLUCRJFJOFZ-UHFFFAOYSA-N -1 3 355.814 3.201 20 30 FGEDHM N#Cc1cccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000737730183 598317982 /nfs/dbraw/zinc/31/79/82/598317982.db2.gz HGCBLUCRJFJOFZ-UHFFFAOYSA-N -1 3 355.814 3.201 20 30 FGEDHM C=C(C)CN(CC)C(=O)[C@@H](C)SCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735398668 598695556 /nfs/dbraw/zinc/69/55/56/598695556.db2.gz NWZCLHNKTGAORG-GFCCVEGCSA-N -1 3 363.462 3.052 20 30 FGEDHM C=C(C)CN(CC)C(=O)[C@@H](C)SCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735398668 598695557 /nfs/dbraw/zinc/69/55/57/598695557.db2.gz NWZCLHNKTGAORG-GFCCVEGCSA-N -1 3 363.462 3.052 20 30 FGEDHM C[C@H](CC#N)N(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735964392 598753039 /nfs/dbraw/zinc/75/30/39/598753039.db2.gz ZLADMOLTCAOREY-CYBMUJFWSA-N -1 3 362.393 3.033 20 30 FGEDHM C[C@H](CC#N)N(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735964392 598753040 /nfs/dbraw/zinc/75/30/40/598753040.db2.gz ZLADMOLTCAOREY-CYBMUJFWSA-N -1 3 362.393 3.033 20 30 FGEDHM CCCCCCCCN=C1NC(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)S1 ZINC000821055429 599378883 /nfs/dbraw/zinc/37/88/83/599378883.db2.gz AKNSVWFALMNETF-KAMYIIQDSA-N -1 3 374.470 3.380 20 30 FGEDHM CCCCCCCCN=C1NC(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)S1 ZINC000821055429 599378886 /nfs/dbraw/zinc/37/88/86/599378886.db2.gz AKNSVWFALMNETF-KAMYIIQDSA-N -1 3 374.470 3.380 20 30 FGEDHM CCCCCCCC/N=C1/NC(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)S1 ZINC000821055429 599378889 /nfs/dbraw/zinc/37/88/89/599378889.db2.gz AKNSVWFALMNETF-KAMYIIQDSA-N -1 3 374.470 3.380 20 30 FGEDHM CC(C)Oc1ccc(NCCOc2ccc(C#N)cc2)cc1-c1nnn[n-]1 ZINC000820174672 607373188 /nfs/dbraw/zinc/37/31/88/607373188.db2.gz VOMNBVPTVNWXES-UHFFFAOYSA-N -1 3 364.409 3.016 20 30 FGEDHM CC(C)Oc1ccc(NCCOc2ccc(C#N)cc2)cc1-c1nn[n-]n1 ZINC000820174672 607373189 /nfs/dbraw/zinc/37/31/89/607373189.db2.gz VOMNBVPTVNWXES-UHFFFAOYSA-N -1 3 364.409 3.016 20 30 FGEDHM Cc1c2ccccc2oc1C(=O)C=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737203527 599460943 /nfs/dbraw/zinc/46/09/43/599460943.db2.gz VGTUQSZUMLWEAY-BQYQJAHWSA-N -1 3 370.372 3.465 20 30 FGEDHM Cc1c2ccccc2oc1C(=O)C=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737203527 599460946 /nfs/dbraw/zinc/46/09/46/599460946.db2.gz VGTUQSZUMLWEAY-BQYQJAHWSA-N -1 3 370.372 3.465 20 30 FGEDHM CC[C@@H](C#N)Oc1cccc(CNc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000820841618 599556975 /nfs/dbraw/zinc/55/69/75/599556975.db2.gz ARUSBIWDPUCYHZ-AWEZNQCLSA-N -1 3 352.373 3.299 20 30 FGEDHM CC[C@@H](C#N)Oc1cccc(CNc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000820841618 599556977 /nfs/dbraw/zinc/55/69/77/599556977.db2.gz ARUSBIWDPUCYHZ-AWEZNQCLSA-N -1 3 352.373 3.299 20 30 FGEDHM C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819745637 599680450 /nfs/dbraw/zinc/68/04/50/599680450.db2.gz NHAVDJVWSKCXHQ-HNNXBMFYSA-N -1 3 362.437 3.326 20 30 FGEDHM C=CCN(Cc1ccccc1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819745637 599680451 /nfs/dbraw/zinc/68/04/51/599680451.db2.gz NHAVDJVWSKCXHQ-HNNXBMFYSA-N -1 3 362.437 3.326 20 30 FGEDHM Cc1ccc2c(CCC(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c[nH]c2c1 ZINC000822275181 599689993 /nfs/dbraw/zinc/68/99/93/599689993.db2.gz OWXFHULYNAEYDM-UHFFFAOYSA-N -1 3 371.404 3.099 20 30 FGEDHM Cc1ccc2c(CCC(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c[nH]c2c1 ZINC000822275181 599689994 /nfs/dbraw/zinc/68/99/94/599689994.db2.gz OWXFHULYNAEYDM-UHFFFAOYSA-N -1 3 371.404 3.099 20 30 FGEDHM C=CCC[C@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819734797 607388346 /nfs/dbraw/zinc/38/83/46/607388346.db2.gz UEFIQRCRMFIMKZ-SFHVURJKSA-N -1 3 362.437 3.373 20 30 FGEDHM C=CCC[C@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819734797 607388348 /nfs/dbraw/zinc/38/83/48/607388348.db2.gz UEFIQRCRMFIMKZ-SFHVURJKSA-N -1 3 362.437 3.373 20 30 FGEDHM CC(C)CC(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736401752 600595468 /nfs/dbraw/zinc/59/54/68/600595468.db2.gz LQVOHQAHSNNNNC-FQEVSTJZSA-N -1 3 365.433 3.458 20 30 FGEDHM O=C1c2cc(F)ccc2OCCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504273 607458930 /nfs/dbraw/zinc/45/89/30/607458930.db2.gz OFRRWTGEQSTETC-XFFZJAGNSA-N -1 3 354.316 3.194 20 30 FGEDHM O=C1c2cc(F)ccc2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504273 607458931 /nfs/dbraw/zinc/45/89/31/607458931.db2.gz OFRRWTGEQSTETC-XFFZJAGNSA-N -1 3 354.316 3.194 20 30 FGEDHM N#Cc1ccccc1N1CCCN([C@@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000833074727 600989165 /nfs/dbraw/zinc/98/91/65/600989165.db2.gz ANWIAHYKRMTFNA-LJQANCHMSA-N -1 3 353.397 3.035 20 30 FGEDHM CCCOc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000829532548 601299032 /nfs/dbraw/zinc/29/90/32/601299032.db2.gz RBSFARJZURBEQW-IBGZPJMESA-N -1 3 354.406 3.271 20 30 FGEDHM COc1cc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC(C)C ZINC000832000096 601299666 /nfs/dbraw/zinc/29/96/66/601299666.db2.gz HVYQTOWGQFSZLX-LJQANCHMSA-N -1 3 354.406 3.270 20 30 FGEDHM COc1ccc(-c2nn[n-]n2)cc1CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000826183089 607637435 /nfs/dbraw/zinc/63/74/35/607637435.db2.gz CWTAUQTVNANEEH-RTBURBONSA-N -1 3 374.448 3.147 20 30 FGEDHM N#Cc1csc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822845983 606206201 /nfs/dbraw/zinc/20/62/01/606206201.db2.gz LGKZZIQXPYTDQR-UHFFFAOYSA-N -1 3 363.328 3.265 20 30 FGEDHM N#Cc1csc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822845983 606206203 /nfs/dbraw/zinc/20/62/03/606206203.db2.gz LGKZZIQXPYTDQR-UHFFFAOYSA-N -1 3 363.328 3.265 20 30 FGEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1cnc(-c2cccs2)s1 ZINC000819718847 606338623 /nfs/dbraw/zinc/33/86/23/606338623.db2.gz SYYYVDRNHYVIKY-UHFFFAOYSA-N -1 3 353.436 3.498 20 30 FGEDHM Fc1ccc(NN=Cc2ccc(-c3nnn[n-]3)s2)c(Br)c1 ZINC000822782829 606368995 /nfs/dbraw/zinc/36/89/95/606368995.db2.gz INVXXRUFJPATFI-UHFFFAOYSA-N -1 3 367.207 3.276 20 30 FGEDHM CC(C)Oc1ccc(C#N)cc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000820155112 606449707 /nfs/dbraw/zinc/44/97/07/606449707.db2.gz IWJLVRRCGZPNMJ-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM CC(C)Oc1ccc(C#N)cc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000820155112 606449708 /nfs/dbraw/zinc/44/97/08/606449708.db2.gz IWJLVRRCGZPNMJ-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM CC1CC(C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)C1 ZINC000820649758 606626373 /nfs/dbraw/zinc/62/63/73/606626373.db2.gz OLRXBHHLGNRYNS-UZANAETPSA-N -1 3 364.434 3.213 20 30 FGEDHM CC1CC(C(=O)[C@@H](C#N)c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)C1 ZINC000820649758 606626374 /nfs/dbraw/zinc/62/63/74/606626374.db2.gz OLRXBHHLGNRYNS-UZANAETPSA-N -1 3 364.434 3.213 20 30 FGEDHM C=C[C@H](C)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819730369 606813698 /nfs/dbraw/zinc/81/36/98/606813698.db2.gz XTNBQVZVMDOUSI-LBPRGKRZSA-N -1 3 351.435 3.322 20 30 FGEDHM C=C[C@H](C)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819730369 606813700 /nfs/dbraw/zinc/81/37/00/606813700.db2.gz XTNBQVZVMDOUSI-LBPRGKRZSA-N -1 3 351.435 3.322 20 30 FGEDHM N#CCCCOc1cccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000822807151 606928334 /nfs/dbraw/zinc/92/83/34/606928334.db2.gz ZXFQSJDRRHERPI-UHFFFAOYSA-N -1 3 352.373 3.300 20 30 FGEDHM N#CCCCOc1cccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000822807151 606928335 /nfs/dbraw/zinc/92/83/35/606928335.db2.gz ZXFQSJDRRHERPI-UHFFFAOYSA-N -1 3 352.373 3.300 20 30 FGEDHM N#Cc1cnc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)s1 ZINC000822842808 607024427 /nfs/dbraw/zinc/02/44/27/607024427.db2.gz ZTTILQMGXWASDK-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM N#Cc1cnc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)s1 ZINC000822842808 607024429 /nfs/dbraw/zinc/02/44/29/607024429.db2.gz ZTTILQMGXWASDK-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM Cc1c(NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)cccc1[N+](=O)[O-] ZINC000822121348 607149154 /nfs/dbraw/zinc/14/91/54/607149154.db2.gz FLXSJWQDIFPARP-UHFFFAOYSA-N -1 3 362.353 3.011 20 30 FGEDHM Cc1c(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cccc1[N+](=O)[O-] ZINC000822121348 607149155 /nfs/dbraw/zinc/14/91/55/607149155.db2.gz FLXSJWQDIFPARP-UHFFFAOYSA-N -1 3 362.353 3.011 20 30 FGEDHM C=C(C)[C@H](CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2)OCC ZINC000823873149 607920194 /nfs/dbraw/zinc/92/01/94/607920194.db2.gz JPJJIBYELRHBKC-LBPRGKRZSA-N -1 3 361.471 3.117 20 30 FGEDHM C=C(C)[C@H](CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2)OCC ZINC000823873149 607920195 /nfs/dbraw/zinc/92/01/95/607920195.db2.gz JPJJIBYELRHBKC-LBPRGKRZSA-N -1 3 361.471 3.117 20 30 FGEDHM CC(C)[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824184471 607926076 /nfs/dbraw/zinc/92/60/76/607926076.db2.gz GXGDGKMXOHOYJM-KRWDZBQOSA-N -1 3 364.384 3.256 20 30 FGEDHM CC(C)[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824184471 607926077 /nfs/dbraw/zinc/92/60/77/607926077.db2.gz GXGDGKMXOHOYJM-KRWDZBQOSA-N -1 3 364.384 3.256 20 30 FGEDHM C=C[C@@H](CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823883628 607981021 /nfs/dbraw/zinc/98/10/21/607981021.db2.gz VYSVFHBNWZFCKB-ZDUSSCGKSA-N -1 3 352.369 3.409 20 30 FGEDHM C=C[C@@H](CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823883628 607981022 /nfs/dbraw/zinc/98/10/22/607981022.db2.gz VYSVFHBNWZFCKB-ZDUSSCGKSA-N -1 3 352.369 3.409 20 30 FGEDHM CC(C)(C)c1cc(NC(=O)c2sccc2-c2nnn[n-]2)c(C#N)s1 ZINC000824135867 608348286 /nfs/dbraw/zinc/34/82/86/608348286.db2.gz JLBYUEWKENYDTQ-UHFFFAOYSA-N -1 3 358.452 3.411 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826379833 608399687 /nfs/dbraw/zinc/39/96/87/608399687.db2.gz DDPKMHBRYPFRKD-ZWKOTPCHSA-N -1 3 362.412 3.278 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cccc(-c2nn[n-]n2)c1F ZINC000826379833 608399688 /nfs/dbraw/zinc/39/96/88/608399688.db2.gz DDPKMHBRYPFRKD-ZWKOTPCHSA-N -1 3 362.412 3.278 20 30 FGEDHM C#C[C@H](OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000823839114 608454838 /nfs/dbraw/zinc/45/48/38/608454838.db2.gz ZQNJFQVDQVFSLF-IBGZPJMESA-N -1 3 374.400 3.014 20 30 FGEDHM C#C[C@H](OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000823839114 608454840 /nfs/dbraw/zinc/45/48/40/608454840.db2.gz ZQNJFQVDQVFSLF-IBGZPJMESA-N -1 3 374.400 3.014 20 30 FGEDHM COc1ccc2c(c1)CCCC2N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826212125 608536130 /nfs/dbraw/zinc/53/61/30/608536130.db2.gz HILIWCJIJDRBGF-UHFFFAOYSA-N -1 3 369.816 3.076 20 30 FGEDHM COc1ccc2c(c1)CCCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826212125 608536131 /nfs/dbraw/zinc/53/61/31/608536131.db2.gz HILIWCJIJDRBGF-UHFFFAOYSA-N -1 3 369.816 3.076 20 30 FGEDHM Cc1ccc2c(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)c[nH]c2c1 ZINC000826293547 608537485 /nfs/dbraw/zinc/53/74/85/608537485.db2.gz SWQZGNIQQGGCDR-UHFFFAOYSA-N -1 3 352.789 3.151 20 30 FGEDHM Cc1ccc2c(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)c[nH]c2c1 ZINC000826293547 608537486 /nfs/dbraw/zinc/53/74/86/608537486.db2.gz SWQZGNIQQGGCDR-UHFFFAOYSA-N -1 3 352.789 3.151 20 30 FGEDHM Cn1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c(-c2cccs2)n1 ZINC000826359249 608755123 /nfs/dbraw/zinc/75/51/23/608755123.db2.gz ASXRUZZNHKOQOG-BQYQJAHWSA-N -1 3 362.418 3.225 20 30 FGEDHM Cn1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(-c2cccs2)n1 ZINC000826359249 608755126 /nfs/dbraw/zinc/75/51/26/608755126.db2.gz ASXRUZZNHKOQOG-BQYQJAHWSA-N -1 3 362.418 3.225 20 30 FGEDHM N#Cc1ccncc1NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000826387646 608787383 /nfs/dbraw/zinc/78/73/83/608787383.db2.gz IDHLVDGPZGBOGX-UHFFFAOYSA-N -1 3 359.418 3.474 20 30 FGEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CO2 ZINC000826263983 608877264 /nfs/dbraw/zinc/87/72/64/608877264.db2.gz YECILWPFNHSTGC-QPEQYQDCSA-N -1 3 350.353 3.281 20 30 FGEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)CO2 ZINC000826263983 608877265 /nfs/dbraw/zinc/87/72/65/608877265.db2.gz YECILWPFNHSTGC-QPEQYQDCSA-N -1 3 350.353 3.281 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cnn1-c1ccccc1 ZINC000826234113 608877456 /nfs/dbraw/zinc/87/74/56/608877456.db2.gz IMPSAZACVDDCJO-NTMALXAHSA-N -1 3 374.379 3.396 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cnn1-c1ccccc1 ZINC000826234113 608877458 /nfs/dbraw/zinc/87/74/58/608877458.db2.gz IMPSAZACVDDCJO-NTMALXAHSA-N -1 3 374.379 3.396 20 30 FGEDHM COc1cc(F)c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1OC ZINC000826180213 608878933 /nfs/dbraw/zinc/87/89/33/608878933.db2.gz XYBVETXLKGEZRX-GQCTYLIASA-N -1 3 372.331 3.058 20 30 FGEDHM COc1cc(F)c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1OC ZINC000826180213 608878935 /nfs/dbraw/zinc/87/89/35/608878935.db2.gz XYBVETXLKGEZRX-GQCTYLIASA-N -1 3 372.331 3.058 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000826234227 608879380 /nfs/dbraw/zinc/87/93/80/608879380.db2.gz MZWUNMRYJOBWPI-VURMDHGXSA-N -1 3 353.313 3.119 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000826234227 608879382 /nfs/dbraw/zinc/87/93/82/608879382.db2.gz MZWUNMRYJOBWPI-VURMDHGXSA-N -1 3 353.313 3.119 20 30 FGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cnn(-c2ccccc2)c1 ZINC000826401143 608881299 /nfs/dbraw/zinc/88/12/99/608881299.db2.gz QOAFOTINGYRPKF-VQHVLOKHSA-N -1 3 360.352 3.088 20 30 FGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cnn(-c2ccccc2)c1 ZINC000826401143 608881302 /nfs/dbraw/zinc/88/13/02/608881302.db2.gz QOAFOTINGYRPKF-VQHVLOKHSA-N -1 3 360.352 3.088 20 30 FGEDHM O=C(C=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399791 609274639 /nfs/dbraw/zinc/27/46/39/609274639.db2.gz GCFQRXJLMFWTJF-KXFIGUGUSA-N -1 3 373.731 3.464 20 30 FGEDHM O=C(C=Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399791 609274641 /nfs/dbraw/zinc/27/46/41/609274641.db2.gz GCFQRXJLMFWTJF-KXFIGUGUSA-N -1 3 373.731 3.464 20 30 FGEDHM C=C(C)CN(C)C(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000823873200 609345702 /nfs/dbraw/zinc/34/57/02/609345702.db2.gz JUSWUBSGHAHZRN-UHFFFAOYSA-N -1 3 363.421 3.094 20 30 FGEDHM C=C(C)CN(C)C(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000823873200 609345705 /nfs/dbraw/zinc/34/57/05/609345705.db2.gz JUSWUBSGHAHZRN-UHFFFAOYSA-N -1 3 363.421 3.094 20 30 FGEDHM C=C(C)CN(C)C(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000823874406 609347682 /nfs/dbraw/zinc/34/76/82/609347682.db2.gz WCOFCEOADWIONN-UHFFFAOYSA-N -1 3 363.421 3.094 20 30 FGEDHM C[C@@H](Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1cccc(C#N)c1 ZINC000824662309 609351147 /nfs/dbraw/zinc/35/11/47/609351147.db2.gz IGQPRFYKXOJLKS-GFCCVEGCSA-N -1 3 374.383 3.236 20 30 FGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826402572 609443018 /nfs/dbraw/zinc/44/30/18/609443018.db2.gz XILHYVUXCIZQIQ-VMPITWQZSA-N -1 3 355.741 3.324 20 30 FGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826402572 609443019 /nfs/dbraw/zinc/44/30/19/609443019.db2.gz XILHYVUXCIZQIQ-VMPITWQZSA-N -1 3 355.741 3.324 20 30 FGEDHM FC(F)(F)c1cccnc1C=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826368861 609475073 /nfs/dbraw/zinc/47/50/73/609475073.db2.gz DBVFCKKUZQTJOL-UHFFFAOYSA-N -1 3 367.722 3.380 20 30 FGEDHM FC(F)(F)c1cccnc1C=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826368861 609475074 /nfs/dbraw/zinc/47/50/74/609475074.db2.gz DBVFCKKUZQTJOL-UHFFFAOYSA-N -1 3 367.722 3.380 20 30 FGEDHM N#Cc1cc(NC(=O)c2ccc(-c3ccccc3)o2)ccc1-c1nnn[n-]1 ZINC000826384015 609503089 /nfs/dbraw/zinc/50/30/89/609503089.db2.gz BWLVPMWZSJSIHN-UHFFFAOYSA-N -1 3 356.345 3.251 20 30 FGEDHM N#Cc1cc(NC(=O)c2ccc(-c3ccccc3)o2)ccc1-c1nn[n-]n1 ZINC000826384015 609503091 /nfs/dbraw/zinc/50/30/91/609503091.db2.gz BWLVPMWZSJSIHN-UHFFFAOYSA-N -1 3 356.345 3.251 20 30 FGEDHM N#CCCN(C(=O)COC(=O)c1ccc([O-])cc1)c1cccc(Cl)c1 ZINC000022353525 695652752 /nfs/dbraw/zinc/65/27/52/695652752.db2.gz WDSHNAMDIDZDFZ-UHFFFAOYSA-N -1 3 358.781 3.149 20 30 FGEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cccc2c1OCO2 ZINC000123453832 700704847 /nfs/dbraw/zinc/70/48/47/700704847.db2.gz NOVLTAFWAGKQKN-LLVKDONJSA-N -1 3 360.728 3.169 20 30 FGEDHM N#Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(F)c1 ZINC000135375719 704843714 /nfs/dbraw/zinc/84/37/14/704843714.db2.gz LRMPXFXOGPVJNQ-UHFFFAOYSA-N -1 3 355.734 3.060 20 30 FGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CCC)ccc1F ZINC000183899949 705909122 /nfs/dbraw/zinc/90/91/22/705909122.db2.gz ZOSYMPBSICLODL-HNNXBMFYSA-N -1 3 368.474 3.085 20 30 FGEDHM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000190379594 712813216 /nfs/dbraw/zinc/81/32/16/712813216.db2.gz HHDVBKFHJNVONC-UHFFFAOYSA-N -1 3 352.419 3.162 20 30 FGEDHM COc1ccc(C=NN[C@@H]2CCOC(C)(C)C2)c(Br)c1[O-] ZINC000780253091 724455848 /nfs/dbraw/zinc/45/58/48/724455848.db2.gz ONUMBNMDGXZAOY-LLVKDONJSA-N -1 3 357.248 3.044 20 30 FGEDHM C/C(C=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)=C/c1ccccc1 ZINC000746491763 722604899 /nfs/dbraw/zinc/60/48/99/722604899.db2.gz LQDWTZVXYNZOFK-ZEBITPJESA-N -1 3 359.407 3.104 20 30 FGEDHM COC(=O)[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1cccc(C#N)c1 ZINC000751641836 722818026 /nfs/dbraw/zinc/81/80/26/722818026.db2.gz BMJCWJCZBPAWOI-LBPRGKRZSA-N -1 3 353.161 3.264 20 30 FGEDHM COc1cccc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000752160277 722846835 /nfs/dbraw/zinc/84/68/35/722846835.db2.gz INIBFQINQAOYBB-LBPRGKRZSA-N -1 3 364.188 3.358 20 30 FGEDHM COc1ccc(C=NNc2nc3ccccc3[nH]2)c(Br)c1[O-] ZINC000760995249 723111050 /nfs/dbraw/zinc/11/10/50/723111050.db2.gz DHFSXXGMBURENW-UHFFFAOYSA-N -1 3 361.199 3.486 20 30 FGEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1ccc(C(F)(F)F)s1 ZINC000761810786 723186306 /nfs/dbraw/zinc/18/63/06/723186306.db2.gz SLPVBNDXWJJRTD-UHFFFAOYSA-N -1 3 362.398 3.263 20 30 FGEDHM C=CCn1c(SCc2nc(C)cc(=O)[n-]2)nnc1-c1ccccc1F ZINC000761861768 723191166 /nfs/dbraw/zinc/19/11/66/723191166.db2.gz KOVPVHPNXAJFJX-UHFFFAOYSA-N -1 3 357.414 3.367 20 30 FGEDHM O=S(=O)(C[C@@H]1CCCOC1)[N-]c1ccccc1C#Cc1ccccc1 ZINC000795327199 723582175 /nfs/dbraw/zinc/58/21/75/723582175.db2.gz VCHRONGIADARME-GOSISDBHSA-N -1 3 355.459 3.255 20 30 FGEDHM CCOC(=O)c1ccc(NC(=O)c2ccccc2SCC#N)c([O-])c1 ZINC000770870454 723722408 /nfs/dbraw/zinc/72/24/08/723722408.db2.gz VNQSCHCLWXRRIS-UHFFFAOYSA-N -1 3 356.403 3.437 20 30 FGEDHM Brc1ccc2nc(C=N[N-]c3[nH+]cnc4[n-]cnc43)sc2c1 ZINC000773054454 723775490 /nfs/dbraw/zinc/77/54/90/723775490.db2.gz LZPNQRLSVMBSPO-UHFFFAOYSA-N -1 3 374.227 3.171 20 30 FGEDHM COc1cc(N=Cc2ccc(O)c([O-])c2O)cc(OC)c1Br ZINC000775628809 724012290 /nfs/dbraw/zinc/01/22/90/724012290.db2.gz AFQVUXTVUATLNY-UHFFFAOYSA-N -1 3 368.183 3.334 20 30 FGEDHM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1cccc(C#N)c1 ZINC000778013254 724283312 /nfs/dbraw/zinc/28/33/12/724283312.db2.gz LNKFIAPRCZRIJL-VIFPVBQESA-N -1 3 356.234 3.300 20 30 FGEDHM Cc1csc2nc(C)c(C=N[N-]c3nnc(-c4ccccn4)s3)n12 ZINC000788030473 725042033 /nfs/dbraw/zinc/04/20/33/725042033.db2.gz OOCMGAJRMFSLRT-UHFFFAOYSA-N -1 3 355.452 3.372 20 30 FGEDHM COc1cc(CN=Nc2nnc(-c3ccccn3)s2)cc(Cl)c1[O-] ZINC000788029428 725042058 /nfs/dbraw/zinc/04/20/58/725042058.db2.gz DVQZAYQEQCYNHT-UHFFFAOYSA-N -1 3 361.814 3.414 20 30 FGEDHM O=c1[nH]ccc2cc(NN=Cc3cc(Br)ccc3[O-])ccc12 ZINC000789076947 725107568 /nfs/dbraw/zinc/10/75/68/725107568.db2.gz OYVYEFZCLWKDQR-UHFFFAOYSA-N -1 3 358.195 3.442 20 30 FGEDHM C#Cc1ccccc1CC(=O)[N-]OCc1ccc(F)cc1Br ZINC000810694346 725323293 /nfs/dbraw/zinc/32/32/93/725323293.db2.gz NOVDSXHNOGWJLQ-UHFFFAOYSA-N -1 3 362.198 3.360 20 30 FGEDHM COC(=O)c1cc(C(=O)OCC#Cc2ccc(C(F)(F)F)cc2)c[n-]1 ZINC000814531613 726978478 /nfs/dbraw/zinc/97/84/78/726978478.db2.gz KKHFMWUSEKLMRS-UHFFFAOYSA-N -1 3 351.280 3.029 20 30 FGEDHM Cc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)c(Sc2ccccc2)c1 ZINC000820470857 728997565 /nfs/dbraw/zinc/99/75/65/728997565.db2.gz HNXFWYVPQSBETI-MRXNPFEDSA-N -1 3 356.447 3.256 20 30 FGEDHM COc1ccc2[nH]cc(C(=O)C=Cc3cc(-c4nnn[n-]4)cs3)c2c1 ZINC000821846318 729122739 /nfs/dbraw/zinc/12/27/39/729122739.db2.gz QKLUWUCQSHLUOZ-HWKANZROSA-N -1 3 351.391 3.314 20 30 FGEDHM COc1ccc2[nH]cc(C(=O)C=Cc3cc(-c4nn[n-]n4)cs3)c2c1 ZINC000821846318 729122740 /nfs/dbraw/zinc/12/27/40/729122740.db2.gz QKLUWUCQSHLUOZ-HWKANZROSA-N -1 3 351.391 3.314 20 30 FGEDHM O=C(C=Cc1cc(Cl)cc2c1OCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000826399627 729407908 /nfs/dbraw/zinc/40/79/08/729407908.db2.gz AVDRESLCMFJAOB-AATRIKPKSA-N -1 3 352.781 3.351 20 30 FGEDHM O=C(C=Cc1cc(Cl)cc2c1OCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000826399627 729407909 /nfs/dbraw/zinc/40/79/09/729407909.db2.gz AVDRESLCMFJAOB-AATRIKPKSA-N -1 3 352.781 3.351 20 30 FGEDHM Cc1cc([O-])c(C=NN2C(=S)N=NC2[C@H]2CCCCO2)c(Cl)c1 ZINC000841627839 730260692 /nfs/dbraw/zinc/26/06/92/730260692.db2.gz DMKFKQYMWMLTNS-CYBMUJFWSA-N -1 3 352.847 3.358 20 30 FGEDHM C#CC[C@H]1CCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000843998510 730677698 /nfs/dbraw/zinc/67/76/98/730677698.db2.gz DVBXDOAEYISGMK-LBPRGKRZSA-N -1 3 373.250 3.166 20 30 FGEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1sc2cccc(Cl)c2c1Cl ZINC000848138293 731134240 /nfs/dbraw/zinc/13/42/40/731134240.db2.gz OIHCQHBAZJQGMF-QMMMGPOBSA-N -1 3 359.234 3.318 20 30 FGEDHM CSc1ccc([O-])c(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)c1 ZINC000855300220 731916323 /nfs/dbraw/zinc/91/63/23/731916323.db2.gz UXSPJEXLVLKVPH-IBGZPJMESA-N -1 3 353.447 3.207 20 30 FGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1[O-] ZINC000864346803 733048747 /nfs/dbraw/zinc/04/87/47/733048747.db2.gz DTMASICAOJQCGK-BVMDYBKGSA-N -1 3 364.804 3.330 20 30 FGEDHM CS(=O)(=O)c1cc(C(=O)N([O-])Cc2cccc3ccccc32)cs1 ZINC000901371177 743261784 /nfs/dbraw/zinc/26/17/84/743261784.db2.gz OGVFVPYKDSEYBD-UHFFFAOYSA-N -1 3 361.444 3.336 20 30 FGEDHM CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000904173385 743935442 /nfs/dbraw/zinc/93/54/42/743935442.db2.gz LPQMTWZVOMPDHE-GFCCVEGCSA-N -1 3 362.348 3.092 20 30 FGEDHM O=C(C1CCC(OC[C@@H]2CCCO2)CC1)N([O-])Cc1ccc(F)cc1 ZINC000904177365 743935700 /nfs/dbraw/zinc/93/57/00/743935700.db2.gz CERSCNUJXNGHNO-VJFUWPCTSA-N -1 3 351.418 3.298 20 30 FGEDHM COc1ccc(NC(=S)NN=Cc2cc(Cl)ccc2[O-])cc1OC ZINC000916285526 758065003 /nfs/dbraw/zinc/06/50/03/758065003.db2.gz QBDKMCJZKOWKIE-UHFFFAOYSA-N -1 3 365.842 3.383 20 30 FGEDHM CCOc1cc(C=NN2C(=O)NC3(CCCCC3)C2=O)cc(Cl)c1[O-] ZINC000916325829 758071013 /nfs/dbraw/zinc/07/10/13/758071013.db2.gz KERJXWFEPXDBLF-UHFFFAOYSA-N -1 3 365.817 3.033 20 30 FGEDHM CN1CCCc2cc([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)ccc21 ZINC000920757077 758596805 /nfs/dbraw/zinc/59/68/05/758596805.db2.gz SNCRPIQQFLVWDE-UHFFFAOYSA-N -1 3 361.854 3.395 20 30 FGEDHM N#Cc1ccc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)nc1 ZINC000573741304 505609324 /nfs/dbraw/zinc/60/93/24/505609324.db2.gz OEUKDNGOBWHBRU-UHFFFAOYSA-N -1 3 370.840 3.163 20 30 FGEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000568078870 505611061 /nfs/dbraw/zinc/61/10/61/505611061.db2.gz OJJWIQARJRWUJG-LBPRGKRZSA-N -1 3 353.296 3.307 20 30 FGEDHM Cn1ncc2cc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)cnc21 ZINC000577002023 505643063 /nfs/dbraw/zinc/64/30/63/505643063.db2.gz LTNXVRTVVUVQHK-LBPRGKRZSA-N -1 3 366.331 3.203 20 30 FGEDHM CC(=O)c1cccc(O[C@H](C)C(=O)Nc2nnc(-c3ccccn3)[n-]2)c1 ZINC000068790223 493873601 /nfs/dbraw/zinc/87/36/01/493873601.db2.gz QVFYXWZVRVUUSJ-GFCCVEGCSA-N -1 3 351.366 3.125 20 30 FGEDHM CC(=O)c1cccc(O[C@H](C)C(=O)Nc2nc(-c3ccccn3)n[n-]2)c1 ZINC000068790223 493873606 /nfs/dbraw/zinc/87/36/06/493873606.db2.gz QVFYXWZVRVUUSJ-GFCCVEGCSA-N -1 3 351.366 3.125 20 30 FGEDHM CC(=O)c1cccc(O[C@H](C)C(=O)Nc2n[n-]c(-c3ccccn3)n2)c1 ZINC000068790223 493873613 /nfs/dbraw/zinc/87/36/13/493873613.db2.gz QVFYXWZVRVUUSJ-GFCCVEGCSA-N -1 3 351.366 3.125 20 30 FGEDHM CN(Cc1cccc(C#N)c1)Cc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000060467927 493937159 /nfs/dbraw/zinc/93/71/59/493937159.db2.gz JDONVTCMXBRSHP-UHFFFAOYSA-N -1 3 370.416 3.025 20 30 FGEDHM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1nnc(-c2c(F)cccc2F)[n-]1 ZINC000081731125 493947447 /nfs/dbraw/zinc/94/74/47/493947447.db2.gz QXQISBABVPZNQE-MRVPVSSYSA-N -1 3 360.368 3.492 20 30 FGEDHM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1nc(-c2c(F)cccc2F)n[n-]1 ZINC000081731125 493947451 /nfs/dbraw/zinc/94/74/51/493947451.db2.gz QXQISBABVPZNQE-MRVPVSSYSA-N -1 3 360.368 3.492 20 30 FGEDHM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC000081731125 493947461 /nfs/dbraw/zinc/94/74/61/493947461.db2.gz QXQISBABVPZNQE-MRVPVSSYSA-N -1 3 360.368 3.492 20 30 FGEDHM C[C@@H](NC(=O)c1cccs1)C(=O)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000076687324 493949992 /nfs/dbraw/zinc/94/99/92/493949992.db2.gz KDPUXZZDASNMKX-SECBINFHSA-N -1 3 359.386 3.079 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1C(F)(F)F ZINC000060943481 493959824 /nfs/dbraw/zinc/95/98/24/493959824.db2.gz MHGZNAFYOWAQEK-UHFFFAOYSA-N -1 3 363.339 3.454 20 30 FGEDHM N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(Br)cc2)cc1F ZINC000574128568 505699817 /nfs/dbraw/zinc/69/98/17/505699817.db2.gz ZHBAJJFYAAONRB-UHFFFAOYSA-N -1 3 369.215 3.402 20 30 FGEDHM C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)o1 ZINC000568469694 505701596 /nfs/dbraw/zinc/70/15/96/505701596.db2.gz UGDRJADHKQHMFN-ZYHUDNBSSA-N -1 3 350.827 3.407 20 30 FGEDHM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)c1 ZINC000088547195 494248855 /nfs/dbraw/zinc/24/88/55/494248855.db2.gz LGLHUMGQSMMMJR-UHFFFAOYSA-N -1 3 352.799 3.030 20 30 FGEDHM Cc1cc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)c(C)n1CC(F)(F)F ZINC000065880216 494250864 /nfs/dbraw/zinc/25/08/64/494250864.db2.gz PTGMIUINWBYPKK-UHFFFAOYSA-N -1 3 364.331 3.484 20 30 FGEDHM Cc1cc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)c(C)n1CC(F)(F)F ZINC000065880216 494250871 /nfs/dbraw/zinc/25/08/71/494250871.db2.gz PTGMIUINWBYPKK-UHFFFAOYSA-N -1 3 364.331 3.484 20 30 FGEDHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)c(C)n1CC(F)(F)F ZINC000065880216 494250873 /nfs/dbraw/zinc/25/08/73/494250873.db2.gz PTGMIUINWBYPKK-UHFFFAOYSA-N -1 3 364.331 3.484 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](C)c1ccccc1F ZINC000043747831 494316079 /nfs/dbraw/zinc/31/60/79/494316079.db2.gz WQUGBFUWYBFISE-CQSZACIVSA-N -1 3 355.413 3.155 20 30 FGEDHM Cc1nc([N-]C(=O)c2cc(-c3cccnc3)on2)sc1SCC#N ZINC000044788918 494381027 /nfs/dbraw/zinc/38/10/27/494381027.db2.gz WRCQFHVBHJFXOW-UHFFFAOYSA-N -1 3 357.420 3.370 20 30 FGEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)nnn1-c1ccc(OC(F)F)cc1 ZINC000066729262 494397882 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YXBMEAWTVIBECU-UHFFFAOYSA-N -1 3 366.450 3.204 20 30 FGEDHM C=CCCOCCCCC(=O)Nc1cc(C)ccc1[N-]S(C)(=O)=O ZINC000540500398 503794532 /nfs/dbraw/zinc/79/45/32/503794532.db2.gz WXJJKZBRHPFXLE-UHFFFAOYSA-N -1 3 354.472 3.068 20 30 FGEDHM COc1cccc(-c2nc(C([O-])=C(C#N)c3cc(C)nc(C)n3)c(C)[nH]2)c1 ZINC000537884221 504074691 /nfs/dbraw/zinc/07/46/91/504074691.db2.gz ZVGOROJTYCSVFX-INIZCTEOSA-N -1 3 361.405 3.291 20 30 FGEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)Cc3cccc(C#N)c3)c2)n1 ZINC000530907689 504126698 /nfs/dbraw/zinc/12/66/98/504126698.db2.gz WRWYICONTIBRFO-UHFFFAOYSA-N -1 3 358.401 3.464 20 30 FGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCc3ccc(F)cc32)c1 ZINC000547792020 504227699 /nfs/dbraw/zinc/22/76/99/504227699.db2.gz QFRLBYPLODPVAW-HNNXBMFYSA-N -1 3 350.802 3.317 20 30 FGEDHM C[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCCC1)Oc1cccc(Cl)c1 ZINC000544714686 504231902 /nfs/dbraw/zinc/23/19/02/504231902.db2.gz MNQCKXMBCZGXJW-ZDUSSCGKSA-N -1 3 356.875 3.111 20 30 FGEDHM C[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCCC1)Oc1ccc(Cl)cc1 ZINC000544720037 504234229 /nfs/dbraw/zinc/23/42/29/504234229.db2.gz HXMRWFXEDIBNPC-ZDUSSCGKSA-N -1 3 356.875 3.111 20 30 FGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 ZINC000545353196 504457137 /nfs/dbraw/zinc/45/71/37/504457137.db2.gz QWYZIRLCIGKAOC-CQSZACIVSA-N -1 3 372.556 3.086 20 30 FGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cccc(OCC(F)F)n3)nc21 ZINC000535554742 504469372 /nfs/dbraw/zinc/46/93/72/504469372.db2.gz QYAWROJFTAZVBP-NSHDSACASA-N -1 3 356.332 3.400 20 30 FGEDHM CO[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCCC1)c1cccc(Cl)c1 ZINC000546070126 504697742 /nfs/dbraw/zinc/69/77/42/504697742.db2.gz WPSNRUMDCJFIPU-HNNXBMFYSA-N -1 3 356.875 3.031 20 30 FGEDHM Cc1nc(COc2cccc(C([O-])=C(C#N)c3ccncn3)c2)cs1 ZINC000546153793 504727532 /nfs/dbraw/zinc/72/75/32/504727532.db2.gz YSDJLOITQKNJSC-INIZCTEOSA-N -1 3 350.403 3.311 20 30 FGEDHM CCSc1nnc([N-]C(=O)c2cnc(C(F)(F)F)c(C#N)c2)s1 ZINC000559147651 504791888 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CC1CCN(Cc2ccc([N-]S(=O)(=O)c3ccc(C#N)o3)cc2)CC1 ZINC000561757528 505428922 /nfs/dbraw/zinc/42/89/22/505428922.db2.gz MQXVYWARGWLFBS-UHFFFAOYSA-N -1 3 359.451 3.184 20 30 FGEDHM COC(=O)c1oc(C(=O)[N-]c2nc(C)c(SCC#N)s2)cc1C ZINC000599249139 506384257 /nfs/dbraw/zinc/38/42/57/506384257.db2.gz RXWKEZWFVDRAAG-UHFFFAOYSA-N -1 3 351.409 3.008 20 30 FGEDHM Cn1cc(-c2nc(C(=O)[N-]c3sc4c(c3C#N)CCC4)cs2)cn1 ZINC000603776119 506616462 /nfs/dbraw/zinc/61/64/62/506616462.db2.gz GXZGFHWCAAMGDU-UHFFFAOYSA-N -1 3 355.448 3.218 20 30 FGEDHM CO[C@@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593573985 506690203 /nfs/dbraw/zinc/69/02/03/506690203.db2.gz WPGFYQWSPGJLDO-MEBBXXQBSA-N -1 3 370.883 3.328 20 30 FGEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000593590856 506695852 /nfs/dbraw/zinc/69/58/52/506695852.db2.gz IZGKMZIRXMEZTD-JSGCOSHPSA-N -1 3 350.440 3.373 20 30 FGEDHM N#CC1(C[N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2F)CCCC1 ZINC000593624355 506707497 /nfs/dbraw/zinc/70/74/97/506707497.db2.gz SVZZGBUJSAVVNM-UHFFFAOYSA-N -1 3 366.336 3.087 20 30 FGEDHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@@H](C#N)CC(C)C ZINC000600668655 507055422 /nfs/dbraw/zinc/05/54/22/507055422.db2.gz RYTUDOSURWCKQC-SNVBAGLBSA-N -1 3 363.252 3.113 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCSc2ccc(Cl)cc2)c(F)c1 ZINC000610080986 507091977 /nfs/dbraw/zinc/09/19/77/507091977.db2.gz DGWAQGQLDPWMIL-UHFFFAOYSA-N -1 3 370.858 3.421 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2Cc2ccccc2)c(F)c1 ZINC000610089416 507095591 /nfs/dbraw/zinc/09/55/91/507095591.db2.gz PTOAUBUEFQKSAV-AEFFLSMTSA-N -1 3 358.438 3.387 20 30 FGEDHM Cc1cccc2nc(C(C#N)=C([O-])c3cn(Cc4ccccc4)nn3)[nH]c21 ZINC000605362650 507159555 /nfs/dbraw/zinc/15/95/55/507159555.db2.gz OCXLXLOAPMVEHV-OAHLLOKOSA-N -1 3 356.389 3.001 20 30 FGEDHM CCn1nc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)c(=O)c2ccccc21 ZINC000605363682 507160985 /nfs/dbraw/zinc/16/09/85/507160985.db2.gz YPCNEUWRSJWYFT-CQSZACIVSA-N -1 3 371.400 3.091 20 30 FGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(C#N)c1 ZINC000610339351 507200297 /nfs/dbraw/zinc/20/02/97/507200297.db2.gz RDSHGMHLZQJLLB-SNVBAGLBSA-N -1 3 365.798 3.159 20 30 FGEDHM CCOC(=O)c1sc([N-]C(=O)c2nn(C)c(C)c2Cl)c(C#N)c1C ZINC000591505498 507273979 /nfs/dbraw/zinc/27/39/79/507273979.db2.gz ZPTFTGQPHQOXNX-UHFFFAOYSA-N -1 3 366.830 3.053 20 30 FGEDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)c2cccc(C#N)c2)cc1C ZINC000594814067 507288750 /nfs/dbraw/zinc/28/87/50/507288750.db2.gz SERDYAAFMLOBRO-UHFFFAOYSA-N -1 3 373.434 3.297 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000598305905 507369068 /nfs/dbraw/zinc/36/90/68/507369068.db2.gz LHCMFQGQGRKNBU-LPHOPBHVSA-N -1 3 371.481 3.016 20 30 FGEDHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)CC1(C#N)CCCCC1 ZINC000598735444 507574091 /nfs/dbraw/zinc/57/40/91/507574091.db2.gz LHJUBZPVNKAITN-UHFFFAOYSA-N -1 3 357.845 3.360 20 30 FGEDHM O=C(C=Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC000737797185 598825406 /nfs/dbraw/zinc/82/54/06/598825406.db2.gz QJGBHTUGLLCEOW-VMPITWQZSA-N -1 3 355.741 3.324 20 30 FGEDHM O=C(C=Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000737797185 598825408 /nfs/dbraw/zinc/82/54/08/598825408.db2.gz QJGBHTUGLLCEOW-VMPITWQZSA-N -1 3 355.741 3.324 20 30 FGEDHM N#Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1-c1nnn[n-]1 ZINC000737718223 598916498 /nfs/dbraw/zinc/91/64/98/598916498.db2.gz GDEIDURGQPJVAT-UHFFFAOYSA-N -1 3 358.283 3.009 20 30 FGEDHM N#Cc1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1-c1nn[n-]n1 ZINC000737718223 598916500 /nfs/dbraw/zinc/91/65/00/598916500.db2.gz GDEIDURGQPJVAT-UHFFFAOYSA-N -1 3 358.283 3.009 20 30 FGEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)ccc1-c1nnn[n-]1 ZINC000737706006 598926798 /nfs/dbraw/zinc/92/67/98/598926798.db2.gz UTLWMKSMTRAQGI-CVEARBPZSA-N -1 3 364.796 3.134 20 30 FGEDHM N#Cc1cc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)ccc1-c1nn[n-]n1 ZINC000737706006 598926799 /nfs/dbraw/zinc/92/67/99/598926799.db2.gz UTLWMKSMTRAQGI-CVEARBPZSA-N -1 3 364.796 3.134 20 30 FGEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cnc(-c2cccs2)s1 ZINC000819719067 607253063 /nfs/dbraw/zinc/25/30/63/607253063.db2.gz YJKIRHAJHWRDDK-UHFFFAOYSA-N -1 3 367.463 3.175 20 30 FGEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cnc(-c2cccs2)s1 ZINC000819719067 607253064 /nfs/dbraw/zinc/25/30/64/607253064.db2.gz YJKIRHAJHWRDDK-UHFFFAOYSA-N -1 3 367.463 3.175 20 30 FGEDHM Clc1ccc2c(C=NNCc3ccc(-c4nnn[n-]4)cc3)c[nH]c2c1 ZINC000822582457 607254623 /nfs/dbraw/zinc/25/46/23/607254623.db2.gz UKTRXCZAJKDITK-UHFFFAOYSA-N -1 3 351.801 3.125 20 30 FGEDHM Clc1ccc2c(C=NNCc3ccc(-c4nn[n-]n4)cc3)c[nH]c2c1 ZINC000822582457 607254624 /nfs/dbraw/zinc/25/46/24/607254624.db2.gz UKTRXCZAJKDITK-UHFFFAOYSA-N -1 3 351.801 3.125 20 30 FGEDHM N#Cc1ccc(NC(=O)c2nc(-c3ccccc3)cs2)cc1-c1nnn[n-]1 ZINC000737719079 599198550 /nfs/dbraw/zinc/19/85/50/599198550.db2.gz OSPVNEOCUVIHIU-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM N#Cc1ccc(NC(=O)c2nc(-c3ccccc3)cs2)cc1-c1nn[n-]n1 ZINC000737719079 599198552 /nfs/dbraw/zinc/19/85/52/599198552.db2.gz OSPVNEOCUVIHIU-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM CC(C)c1ccccc1NC(=S)NN=Cc1cccc(-c2nnn[n-]2)c1 ZINC000735933104 598413824 /nfs/dbraw/zinc/41/38/24/598413824.db2.gz VBBXUARBTGCQGV-UHFFFAOYSA-N -1 3 365.466 3.311 20 30 FGEDHM CC(C)c1ccccc1NC(=S)NN=Cc1cccc(-c2nn[n-]n2)c1 ZINC000735933104 598413825 /nfs/dbraw/zinc/41/38/25/598413825.db2.gz VBBXUARBTGCQGV-UHFFFAOYSA-N -1 3 365.466 3.311 20 30 FGEDHM C=C1CCN(C(=O)c2cc(C)n(-c3ccc(-c4nn[n-]n4)cc3)c2C)CC1 ZINC000735402030 598512754 /nfs/dbraw/zinc/51/27/54/598512754.db2.gz FRJQLYKVVORCNY-UHFFFAOYSA-N -1 3 362.437 3.066 20 30 FGEDHM CCc1c(C)sc(NC(=O)c2cccc(CC#N)c2)c1-c1nnn[n-]1 ZINC000736676303 598516119 /nfs/dbraw/zinc/51/61/19/598516119.db2.gz RBWQBDZCTJMXBK-UHFFFAOYSA-N -1 3 352.423 3.117 20 30 FGEDHM CCc1c(C)sc(NC(=O)c2cccc(CC#N)c2)c1-c1nn[n-]n1 ZINC000736676303 598516121 /nfs/dbraw/zinc/51/61/21/598516121.db2.gz RBWQBDZCTJMXBK-UHFFFAOYSA-N -1 3 352.423 3.117 20 30 FGEDHM CC(C)CN(Cc1ccc(OCC#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735831406 598539002 /nfs/dbraw/zinc/53/90/02/598539002.db2.gz QNBVMIDWLLIFCD-UHFFFAOYSA-N -1 3 362.437 3.432 20 30 FGEDHM N#C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000737676070 598591482 /nfs/dbraw/zinc/59/14/82/598591482.db2.gz ULRCSGQODAINAU-CQSZACIVSA-N -1 3 373.203 3.168 20 30 FGEDHM N#C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000737676070 598591484 /nfs/dbraw/zinc/59/14/84/598591484.db2.gz ULRCSGQODAINAU-CQSZACIVSA-N -1 3 373.203 3.168 20 30 FGEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1C ZINC000737080449 598640913 /nfs/dbraw/zinc/64/09/13/598640913.db2.gz AVEZRSCCRXNALC-VURMDHGXSA-N -1 3 363.421 3.136 20 30 FGEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1C ZINC000737080449 598640915 /nfs/dbraw/zinc/64/09/15/598640915.db2.gz AVEZRSCCRXNALC-VURMDHGXSA-N -1 3 363.421 3.136 20 30 FGEDHM CC[C@@](C)(C#N)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736315465 598668784 /nfs/dbraw/zinc/66/87/84/598668784.db2.gz ZBNQRFYMMPEZJF-IBGZPJMESA-N -1 3 362.393 3.081 20 30 FGEDHM CC[C@@](C)(C#N)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736315465 598668786 /nfs/dbraw/zinc/66/87/86/598668786.db2.gz ZBNQRFYMMPEZJF-IBGZPJMESA-N -1 3 362.393 3.081 20 30 FGEDHM C=CCN(CC1CCCCC1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000735417007 598760500 /nfs/dbraw/zinc/76/05/00/598760500.db2.gz WXIGHWAYHOUSPH-UHFFFAOYSA-N -1 3 372.448 3.284 20 30 FGEDHM C=CCN(CC1CCCCC1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000735417007 598760501 /nfs/dbraw/zinc/76/05/01/598760501.db2.gz WXIGHWAYHOUSPH-UHFFFAOYSA-N -1 3 372.448 3.284 20 30 FGEDHM C=C(Br)CNc1c(-c2nnn[n-]2)cnc2c(F)cc(F)cc21 ZINC000735398583 598771335 /nfs/dbraw/zinc/77/13/35/598771335.db2.gz JLPVGYDLUJMXIC-UHFFFAOYSA-N -1 3 367.157 3.014 20 30 FGEDHM C=C(Br)CNc1c(-c2nn[n-]n2)cnc2c(F)cc(F)cc21 ZINC000735398583 598771336 /nfs/dbraw/zinc/77/13/36/598771336.db2.gz JLPVGYDLUJMXIC-UHFFFAOYSA-N -1 3 367.157 3.014 20 30 FGEDHM COc1cccc(C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2)c2ncc[nH]2)c1 ZINC000737121562 598802128 /nfs/dbraw/zinc/80/21/28/598802128.db2.gz ODUCWJLWANZZTF-GZTJUZNOSA-N -1 3 372.388 3.022 20 30 FGEDHM COc1cccc(C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2)c2ncc[nH]2)c1 ZINC000737121562 598802129 /nfs/dbraw/zinc/80/21/29/598802129.db2.gz ODUCWJLWANZZTF-GZTJUZNOSA-N -1 3 372.388 3.022 20 30 FGEDHM N#Cc1ccccc1SCc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822842376 599348203 /nfs/dbraw/zinc/34/82/03/599348203.db2.gz FSEBCHWZWNCESF-UHFFFAOYSA-N -1 3 361.390 3.081 20 30 FGEDHM N#Cc1ccccc1SCc1nnc(-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822842376 599348207 /nfs/dbraw/zinc/34/82/07/599348207.db2.gz FSEBCHWZWNCESF-UHFFFAOYSA-N -1 3 361.390 3.081 20 30 FGEDHM N#CC1(C(=O)Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)CCC1 ZINC000737676560 599375002 /nfs/dbraw/zinc/37/50/02/599375002.db2.gz WRXJSCXQKSJHIV-UHFFFAOYSA-N -1 3 374.404 3.078 20 30 FGEDHM N#CC1(C(=O)Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)CCC1 ZINC000737676560 599375006 /nfs/dbraw/zinc/37/50/06/599375006.db2.gz WRXJSCXQKSJHIV-UHFFFAOYSA-N -1 3 374.404 3.078 20 30 FGEDHM C#C[C@H](C)OC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000819688066 599624447 /nfs/dbraw/zinc/62/44/47/599624447.db2.gz CLROVOIWPAWUTE-ZDUSSCGKSA-N -1 3 364.430 3.338 20 30 FGEDHM C#C[C@H](C)OC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000819688066 599624448 /nfs/dbraw/zinc/62/44/48/599624448.db2.gz CLROVOIWPAWUTE-ZDUSSCGKSA-N -1 3 364.430 3.338 20 30 FGEDHM N#CC1(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCCCC1 ZINC000822801360 599633054 /nfs/dbraw/zinc/63/30/54/599633054.db2.gz HMPKLMWKAHZLMM-UHFFFAOYSA-N -1 3 364.331 3.298 20 30 FGEDHM N#CC1(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCCCC1 ZINC000822801360 599633055 /nfs/dbraw/zinc/63/30/55/599633055.db2.gz HMPKLMWKAHZLMM-UHFFFAOYSA-N -1 3 364.331 3.298 20 30 FGEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000826278026 607393671 /nfs/dbraw/zinc/39/36/71/607393671.db2.gz OXUQMEFQCBGPQN-MRXNPFEDSA-N -1 3 361.409 3.342 20 30 FGEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000826278026 607393673 /nfs/dbraw/zinc/39/36/73/607393673.db2.gz OXUQMEFQCBGPQN-MRXNPFEDSA-N -1 3 361.409 3.342 20 30 FGEDHM Cc1c(NC(=O)N[C@@H](CCC#N)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000826241669 607396148 /nfs/dbraw/zinc/39/61/48/607396148.db2.gz LCOFIEQAHZITMC-KRWDZBQOSA-N -1 3 361.409 3.342 20 30 FGEDHM Cc1c(NC(=O)N[C@@H](CCC#N)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000826241669 607396150 /nfs/dbraw/zinc/39/61/50/607396150.db2.gz LCOFIEQAHZITMC-KRWDZBQOSA-N -1 3 361.409 3.342 20 30 FGEDHM C[C@](NCc1ccc(C#N)cc1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736665126 600078914 /nfs/dbraw/zinc/07/89/14/600078914.db2.gz UUAJIYPFKVXHQB-QGZVFWFLSA-N -1 3 359.223 3.410 20 30 FGEDHM N#Cc1ccc([C@@H](NCc2cccc(OCC(F)(F)F)c2)C(=O)[O-])cc1 ZINC000739108660 600594259 /nfs/dbraw/zinc/59/42/59/600594259.db2.gz VYFQAKVCYYMNGN-MRXNPFEDSA-N -1 3 364.323 3.415 20 30 FGEDHM C=CCSc1nc2ccccc2n1CN1CCSC[C@@H]1CC(=O)[O-] ZINC000736114148 600703599 /nfs/dbraw/zinc/70/35/99/600703599.db2.gz IFPYZSXTROWMSG-ZDUSSCGKSA-N -1 3 363.508 3.164 20 30 FGEDHM N#Cc1cccc([C@@H](NCc2cc(F)cc(Br)c2)C(=O)[O-])c1 ZINC000833076440 601302482 /nfs/dbraw/zinc/30/24/82/601302482.db2.gz VAWSFQPKQLKRJM-OAHLLOKOSA-N -1 3 363.186 3.375 20 30 FGEDHM FC(F)(F)c1ccc(CON=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000826368220 607533328 /nfs/dbraw/zinc/53/33/28/607533328.db2.gz HKFQVQDRNJMWDG-UHFFFAOYSA-N -1 3 353.329 3.498 20 30 FGEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)CC1 ZINC000823481006 603385287 /nfs/dbraw/zinc/38/52/87/603385287.db2.gz VEUNZAIGBBFPJX-CQSZACIVSA-N -1 3 360.458 3.177 20 30 FGEDHM N#CCC[C@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000826381807 607649108 /nfs/dbraw/zinc/64/91/08/607649108.db2.gz ZUQXBEOWFOOZAS-HNNXBMFYSA-N -1 3 363.450 3.198 20 30 FGEDHM N#CCC[C@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000826381807 607649110 /nfs/dbraw/zinc/64/91/10/607649110.db2.gz ZUQXBEOWFOOZAS-HNNXBMFYSA-N -1 3 363.450 3.198 20 30 FGEDHM N#CC(C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1nc2ccccc2[nH]1 ZINC000831064753 604152618 /nfs/dbraw/zinc/15/26/18/604152618.db2.gz MOTSUWDIOZKWAF-GSPSYOTPSA-N -1 3 352.394 3.050 20 30 FGEDHM N#CC(C(=O)CC1(NC(=O)[O-])CCC1)C(=O)Nc1cccc2ccccc21 ZINC000831065521 604253743 /nfs/dbraw/zinc/25/37/43/604253743.db2.gz RAGMILFPYXEUQJ-HNNXBMFYSA-N -1 3 365.389 3.068 20 30 FGEDHM CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000820875769 606127231 /nfs/dbraw/zinc/12/72/31/606127231.db2.gz FGRANXJWDWOKCH-GFCCVEGCSA-N -1 3 362.393 3.168 20 30 FGEDHM CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000820875769 606127233 /nfs/dbraw/zinc/12/72/33/606127233.db2.gz FGRANXJWDWOKCH-GFCCVEGCSA-N -1 3 362.393 3.168 20 30 FGEDHM Cc1ccc(CCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)s1 ZINC000822236115 606186224 /nfs/dbraw/zinc/18/62/24/606186224.db2.gz KJVXEJYOTBRFSQ-UHFFFAOYSA-N -1 3 352.423 3.070 20 30 FGEDHM Cc1ccc(CCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)s1 ZINC000822236115 606186226 /nfs/dbraw/zinc/18/62/26/606186226.db2.gz KJVXEJYOTBRFSQ-UHFFFAOYSA-N -1 3 352.423 3.070 20 30 FGEDHM CCN(C)c1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000821165816 606307018 /nfs/dbraw/zinc/30/70/18/606307018.db2.gz WMCAMFSQIUWCAY-WZUFQYTHSA-N -1 3 363.421 3.228 20 30 FGEDHM CCN(C)c1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000821165816 606307020 /nfs/dbraw/zinc/30/70/20/606307020.db2.gz WMCAMFSQIUWCAY-WZUFQYTHSA-N -1 3 363.421 3.228 20 30 FGEDHM CC[C@H](C#N)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820843403 606318205 /nfs/dbraw/zinc/31/82/05/606318205.db2.gz YAZYMXUJUYYKJT-CYBMUJFWSA-N -1 3 364.434 3.050 20 30 FGEDHM CC[C@H](C#N)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820843403 606318207 /nfs/dbraw/zinc/31/82/07/606318207.db2.gz YAZYMXUJUYYKJT-CYBMUJFWSA-N -1 3 364.434 3.050 20 30 FGEDHM FC(F)(F)COc1ccc(NN=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822718926 606370733 /nfs/dbraw/zinc/37/07/33/606370733.db2.gz VMXADXMZWHOXII-UHFFFAOYSA-N -1 3 368.344 3.315 20 30 FGEDHM Cc1ccccc1N=C1NC(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)S1 ZINC000822361449 606387772 /nfs/dbraw/zinc/38/77/72/606387772.db2.gz BGBYRVOVDPCCON-MDWZMJQESA-N -1 3 368.447 3.128 20 30 FGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000822924052 606387944 /nfs/dbraw/zinc/38/79/44/606387944.db2.gz WCUAMFDTYZQCBT-GORDUTHDSA-N -1 3 361.770 3.386 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822802352 606452005 /nfs/dbraw/zinc/45/20/05/606452005.db2.gz ZNHFHEGQKRTIRZ-UXHICEINSA-N -1 3 374.448 3.017 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1[C@H](C)CCC[C@@H]1C ZINC000819743218 606658684 /nfs/dbraw/zinc/65/86/84/606658684.db2.gz GALUHSUUXYMEBC-HWWDLCQESA-N -1 3 368.485 3.389 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1[C@H](C)CCC[C@@H]1C ZINC000819743218 606658685 /nfs/dbraw/zinc/65/86/85/606658685.db2.gz GALUHSUUXYMEBC-HWWDLCQESA-N -1 3 368.485 3.389 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@H]1Cc1ccccc1 ZINC000819743665 606673983 /nfs/dbraw/zinc/67/39/83/606673983.db2.gz NOBXBPSWNYAUQI-UXHICEINSA-N -1 3 373.460 3.260 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1C[C@H]1Cc1ccccc1 ZINC000819743665 606673984 /nfs/dbraw/zinc/67/39/84/606673984.db2.gz NOBXBPSWNYAUQI-UXHICEINSA-N -1 3 373.460 3.260 20 30 FGEDHM COCCC(N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(C)C ZINC000821685073 606767926 /nfs/dbraw/zinc/76/79/26/606767926.db2.gz SWEHSGFDBFAEAZ-UHFFFAOYSA-N -1 3 356.352 3.346 20 30 FGEDHM COCCC(N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(C)C ZINC000821685073 606767928 /nfs/dbraw/zinc/76/79/28/606767928.db2.gz SWEHSGFDBFAEAZ-UHFFFAOYSA-N -1 3 356.352 3.346 20 30 FGEDHM N#Cc1cc(Br)ccc1OCc1cc(F)ccc1-c1nnn[n-]1 ZINC000822819220 607032080 /nfs/dbraw/zinc/03/20/80/607032080.db2.gz MWFSTICLCQOORB-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM N#Cc1cc(Br)ccc1OCc1cc(F)ccc1-c1nn[n-]n1 ZINC000822819220 607032081 /nfs/dbraw/zinc/03/20/81/607032081.db2.gz MWFSTICLCQOORB-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM N#Cc1ccc(F)cc1CSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000822829883 607040641 /nfs/dbraw/zinc/04/06/41/607040641.db2.gz NOBBJIDNIDPHPU-UHFFFAOYSA-N -1 3 366.425 3.444 20 30 FGEDHM N#Cc1ccc(F)cc1CSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000822829883 607040643 /nfs/dbraw/zinc/04/06/43/607040643.db2.gz NOBBJIDNIDPHPU-UHFFFAOYSA-N -1 3 366.425 3.444 20 30 FGEDHM CC(C)(C#N)c1ccccc1COC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000819891606 607154406 /nfs/dbraw/zinc/15/44/06/607154406.db2.gz DBASCQXHGNHNCG-QXMHVHEDSA-N -1 3 373.416 3.424 20 30 FGEDHM CC(C)(C#N)c1ccccc1COC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000819891606 607154408 /nfs/dbraw/zinc/15/44/08/607154408.db2.gz DBASCQXHGNHNCG-QXMHVHEDSA-N -1 3 373.416 3.424 20 30 FGEDHM O=C(/C=C/c1c(C2CC2)nc2sccn12)c1cccc(-c2nn[n-]n2)c1 ZINC000822923444 607185763 /nfs/dbraw/zinc/18/57/63/607185763.db2.gz RXOJZFSGXDNAOP-VOTSOKGWSA-N -1 3 362.418 3.349 20 30 FGEDHM CC(C)[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000824184485 607925820 /nfs/dbraw/zinc/92/58/20/607925820.db2.gz GXGDGKMXOHOYJM-QGZVFWFLSA-N -1 3 364.384 3.256 20 30 FGEDHM CC(C)[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000824184485 607925821 /nfs/dbraw/zinc/92/58/21/607925821.db2.gz GXGDGKMXOHOYJM-QGZVFWFLSA-N -1 3 364.384 3.256 20 30 FGEDHM N#Cc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1-c1nnn[n-]1 ZINC000826385231 607927547 /nfs/dbraw/zinc/92/75/47/607927547.db2.gz CGBUJDLAVXUBAO-MGPQQGTHSA-N -1 3 350.426 3.283 20 30 FGEDHM N#Cc1ccc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1-c1nn[n-]n1 ZINC000826385231 607927548 /nfs/dbraw/zinc/92/75/48/607927548.db2.gz CGBUJDLAVXUBAO-MGPQQGTHSA-N -1 3 350.426 3.283 20 30 FGEDHM C#CC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000823838961 607936350 /nfs/dbraw/zinc/93/63/50/607936350.db2.gz WZBOYQVDFZATTN-CYBMUJFWSA-N -1 3 358.327 3.457 20 30 FGEDHM C#CC[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000823838961 607936351 /nfs/dbraw/zinc/93/63/51/607936351.db2.gz WZBOYQVDFZATTN-CYBMUJFWSA-N -1 3 358.327 3.457 20 30 FGEDHM CC(C)(C)CN(CCC#N)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000824086445 607986771 /nfs/dbraw/zinc/98/67/71/607986771.db2.gz LYKKMRPZINQAKN-UHFFFAOYSA-N -1 3 353.352 3.047 20 30 FGEDHM CC(C)(C)CN(CCC#N)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000824086445 607986772 /nfs/dbraw/zinc/98/67/72/607986772.db2.gz LYKKMRPZINQAKN-UHFFFAOYSA-N -1 3 353.352 3.047 20 30 FGEDHM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c(-c2cccs2)n1 ZINC000826360160 608754744 /nfs/dbraw/zinc/75/47/44/608754744.db2.gz ZGPMAMOYTKAMCS-CMDGGOBGSA-N -1 3 362.418 3.225 20 30 FGEDHM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c(-c2cccs2)n1 ZINC000826360160 608754746 /nfs/dbraw/zinc/75/47/46/608754746.db2.gz ZGPMAMOYTKAMCS-CMDGGOBGSA-N -1 3 362.418 3.225 20 30 FGEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000826278092 609157241 /nfs/dbraw/zinc/15/72/41/609157241.db2.gz QVZMHPREYBAVQN-LBPRGKRZSA-N -1 3 363.381 3.110 20 30 FGEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)Nc1ccccc1O[C@@H](C)C#N ZINC000826278092 609157243 /nfs/dbraw/zinc/15/72/43/609157243.db2.gz QVZMHPREYBAVQN-LBPRGKRZSA-N -1 3 363.381 3.110 20 30 FGEDHM C=CCOc1ccccc1CN[C@@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823931879 609333887 /nfs/dbraw/zinc/33/38/87/609333887.db2.gz IRMGYFKEKDRAQW-ZDUSSCGKSA-N -1 3 353.401 3.421 20 30 FGEDHM C[C@H](Nc1ccn(-c2cccc(F)c2C#N)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662114 609351089 /nfs/dbraw/zinc/35/10/89/609351089.db2.gz CSQNLOZVNSRYOE-LBPRGKRZSA-N -1 3 374.383 3.236 20 30 FGEDHM C[C@H](Nc1ccn(-c2cccc(F)c2C#N)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662114 609351090 /nfs/dbraw/zinc/35/10/90/609351090.db2.gz CSQNLOZVNSRYOE-LBPRGKRZSA-N -1 3 374.383 3.236 20 30 FGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2CC)ccc1F ZINC000003023452 695536768 /nfs/dbraw/zinc/53/67/68/695536768.db2.gz QMXBPLZGSPCYJX-UHFFFAOYSA-N -1 3 362.426 3.105 20 30 FGEDHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccc(C#N)c3)nc(=O)c2c1C ZINC000005983365 695553293 /nfs/dbraw/zinc/55/32/93/695553293.db2.gz GFUFFDGTOBWVSI-SNVBAGLBSA-N -1 3 353.403 3.391 20 30 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20 30 FGEDHM CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N([O-])Cc1ccc(F)cc1 ZINC000901375009 743261760 /nfs/dbraw/zinc/26/17/60/743261760.db2.gz AHXUFQUGJOKEAB-CQSZACIVSA-N -1 3 372.462 3.190 20 30 FGEDHM C#CCOc1cccc(Cl)c1CN(CCc1ccccc1)CC(=O)[O-] ZINC000901661260 743612218 /nfs/dbraw/zinc/61/22/18/743612218.db2.gz FZRNYVHBAWCZEB-UHFFFAOYSA-N -1 3 357.837 3.481 20 30 FGEDHM O=C(c1coc2c1C(=O)NCCC2)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000904178633 743935707 /nfs/dbraw/zinc/93/57/07/743935707.db2.gz PVOJKHGGKDRSPA-UHFFFAOYSA-N -1 3 369.204 3.294 20 30 FGEDHM CC(C)(C)OC(=O)N1CC(CCC(=O)N([O-])Cc2ccc(F)cc2)C1 ZINC000904178728 743935798 /nfs/dbraw/zinc/93/57/98/743935798.db2.gz SETPGTCDJBBGSI-UHFFFAOYSA-N -1 3 352.406 3.191 20 30 FGEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCC[C@](C)(C#N)C2)s1 ZINC000907337510 744205296 /nfs/dbraw/zinc/20/52/96/744205296.db2.gz VRVOKCSRSPEIOG-MRXNPFEDSA-N -1 3 350.444 3.256 20 30 FGEDHM Cc1nc2sccc2c(=O)n1N=Cc1cc(Br)ccc1[O-] ZINC000917581774 758244294 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COc1ccccc1-c1nc(NC(=O)CSCc2cccnc2)n[n-]1 ZINC000053808205 494167922 /nfs/dbraw/zinc/16/79/22/494167922.db2.gz HGYIJWHHIZETOJ-UHFFFAOYSA-N -1 3 355.423 3.397 20 30 FGEDHM Cc1nc(NC(=O)c2c[n-]c3ccccc3c2=O)sc1SCC#N ZINC000065072224 494169859 /nfs/dbraw/zinc/16/98/59/494169859.db2.gz OLUCJCXEAGLECB-UHFFFAOYSA-N -1 3 356.432 3.161 20 30 FGEDHM Cc1nc(NC(=O)c2cnc3ccccc3c2[O-])sc1SCC#N ZINC000065072224 494169863 /nfs/dbraw/zinc/16/98/63/494169863.db2.gz OLUCJCXEAGLECB-UHFFFAOYSA-N -1 3 356.432 3.161 20 30 FGEDHM Cc1cc(C)c(CCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)c1 ZINC000055488740 494351057 /nfs/dbraw/zinc/35/10/57/494351057.db2.gz IZQCGBNWYDWCAI-UHFFFAOYSA-N -1 3 365.477 3.080 20 30 FGEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000055555615 494360633 /nfs/dbraw/zinc/36/06/33/494360633.db2.gz IUPKPEMVZJFXME-UHFFFAOYSA-N -1 3 368.817 3.196 20 30 FGEDHM O=C([N-]c1nncn1Cc1ccccc1)c1cnc([C@@H]2CCCO2)s1 ZINC000089811791 494370490 /nfs/dbraw/zinc/37/04/90/494370490.db2.gz POOXKGNQSVTKOG-ZDUSSCGKSA-N -1 3 355.423 3.271 20 30 FGEDHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(Br)cc1[O-] ZINC000078829119 494370621 /nfs/dbraw/zinc/37/06/21/494370621.db2.gz LXASPPGZTYDTMD-SNVBAGLBSA-N -1 3 361.195 3.432 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2)c(C(F)(F)F)c1 ZINC000055949530 494432879 /nfs/dbraw/zinc/43/28/79/494432879.db2.gz CWCCWLGKJJKULW-UHFFFAOYSA-N -1 3 358.316 3.195 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C1C2CC3CC(C2)CC1C3 ZINC000046016145 494486463 /nfs/dbraw/zinc/48/64/63/494486463.db2.gz OGXYBQYODJUQDC-UHFFFAOYSA-N -1 3 367.493 3.079 20 30 FGEDHM C=CCN(Cc1cc(-c2ccccc2)ccc1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000092361199 494605067 /nfs/dbraw/zinc/60/50/67/494605067.db2.gz FARAHGNQGOWMLQ-LJQANCHMSA-N -1 3 357.475 3.234 20 30 FGEDHM C=CCN(Cc1cc(-c2ccccc2)ccc1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000092361200 494605314 /nfs/dbraw/zinc/60/53/14/494605314.db2.gz FARAHGNQGOWMLQ-IBGZPJMESA-N -1 3 357.475 3.234 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(c1ccc(F)cc1)C(C)C ZINC000132144757 494827796 /nfs/dbraw/zinc/82/77/96/494827796.db2.gz SUVWLPOXNQSZOL-UHFFFAOYSA-N -1 3 355.413 3.377 20 30 FGEDHM COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)Cc1ccccc1[O-] ZINC000109769653 494916494 /nfs/dbraw/zinc/91/64/94/494916494.db2.gz UQGPNBIWBJWJMH-INIZCTEOSA-N -1 3 367.449 3.168 20 30 FGEDHM CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1c(C)noc1C ZINC000119380019 495154719 /nfs/dbraw/zinc/15/47/19/495154719.db2.gz RIUCLHJCWOFYCK-CYBMUJFWSA-N -1 3 353.831 3.246 20 30 FGEDHM N#CC(=C([O-])c1ccc(OCC(F)(F)C(F)F)nc1)c1ccccn1 ZINC000103798362 495257116 /nfs/dbraw/zinc/25/71/16/495257116.db2.gz XEBWBHCMHWIRCI-LLVKDONJSA-N -1 3 353.275 3.246 20 30 FGEDHM CC[C@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1nccs1 ZINC000120420762 495374238 /nfs/dbraw/zinc/37/42/38/495374238.db2.gz RHDDQXKXAHCESB-AWEZNQCLSA-N -1 3 355.872 3.272 20 30 FGEDHM C=CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000154161007 495531260 /nfs/dbraw/zinc/53/12/60/495531260.db2.gz UGWYNJHJVSSOQF-UHFFFAOYSA-N -1 3 364.854 3.399 20 30 FGEDHM Cc1nc(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)ccc1C#N ZINC000170972247 495673509 /nfs/dbraw/zinc/67/35/09/495673509.db2.gz CIRUVMIUGVNDEN-UHFFFAOYSA-N -1 3 353.382 3.095 20 30 FGEDHM C#CCCCCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000180058366 495840102 /nfs/dbraw/zinc/84/01/02/495840102.db2.gz CUSMSMPFPVIKAZ-UHFFFAOYSA-N -1 3 362.373 3.209 20 30 FGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000176927159 495844835 /nfs/dbraw/zinc/84/48/35/495844835.db2.gz DOXWSOPUVMSTCT-QMMMGPOBSA-N -1 3 368.680 3.354 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cc(F)cc(F)c2)c(Cl)c1 ZINC000183616833 496050206 /nfs/dbraw/zinc/05/02/06/496050206.db2.gz KKRNIJZHUQYMBM-UHFFFAOYSA-N -1 3 356.781 3.011 20 30 FGEDHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1cccc([N+](=O)[O-])c1 ZINC000156609976 496292606 /nfs/dbraw/zinc/29/26/06/496292606.db2.gz YKIZRAJGIYGDBG-JTQLQIEISA-N -1 3 365.798 3.159 20 30 FGEDHM COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C#N)c2)c1C ZINC000184283150 496318324 /nfs/dbraw/zinc/31/83/24/496318324.db2.gz POJTYSKRHOGTRK-UHFFFAOYSA-N -1 3 364.810 3.108 20 30 FGEDHM CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)cs1 ZINC000157477633 496484856 /nfs/dbraw/zinc/48/48/56/496484856.db2.gz MNLSRPQZGGPAKI-SECBINFHSA-N -1 3 355.872 3.270 20 30 FGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(c3ccccc3F)CC2)c1 ZINC000184773726 496526398 /nfs/dbraw/zinc/52/63/98/496526398.db2.gz VBZAIVVFKMLECK-UHFFFAOYSA-N -1 3 350.802 3.318 20 30 FGEDHM C=CCN1CCC([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 ZINC000187853881 496595849 /nfs/dbraw/zinc/59/58/49/496595849.db2.gz ZDCHTCHWBRWCDV-UHFFFAOYSA-N -1 3 367.273 3.061 20 30 FGEDHM C=CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000154131423 496692824 /nfs/dbraw/zinc/69/28/24/496692824.db2.gz UJQRBCXFPSIFEL-UHFFFAOYSA-N -1 3 362.426 3.193 20 30 FGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2nc(C3CC3)cs2)c1 ZINC000185232467 496713203 /nfs/dbraw/zinc/71/32/03/496713203.db2.gz 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N#Cc1ccc([N-]S(=O)(=O)Cc2ccc(Br)cc2)c(F)c1 ZINC000194684119 497738923 /nfs/dbraw/zinc/73/89/23/497738923.db2.gz AWZUSLIXSUKKQY-UHFFFAOYSA-N -1 3 369.215 3.402 20 30 FGEDHM Cc1c(Cl)cnc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1C#N ZINC000272976684 497776888 /nfs/dbraw/zinc/77/68/88/497776888.db2.gz CIGPIZYEBDLJJZ-UHFFFAOYSA-N -1 3 370.840 3.476 20 30 FGEDHM O=C([N-][C@H](C1CC1)C(F)(F)F)C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000288562386 497833364 /nfs/dbraw/zinc/83/33/64/497833364.db2.gz ZSZCAAQHGMQCMO-SNVBAGLBSA-N -1 3 372.240 3.240 20 30 FGEDHM CC[C@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000280855095 497925107 /nfs/dbraw/zinc/92/51/07/497925107.db2.gz CTVKQZKPLCMGEH-SECBINFHSA-N -1 3 351.653 3.073 20 30 FGEDHM COc1cc(/C=C2/CC(=O)Nc3ccc(F)cc3C2=O)cc(OC)c1[O-] ZINC000364655779 498071099 /nfs/dbraw/zinc/07/10/99/498071099.db2.gz JUMWDBRLRFYOHG-WZUFQYTHSA-N -1 3 357.337 3.157 20 30 FGEDHM CCC1(CNC(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)CCCCC1 ZINC000330878725 498210380 /nfs/dbraw/zinc/21/03/80/498210380.db2.gz LQSGDRJFMQGJRY-UHFFFAOYSA-N -1 3 373.544 3.020 20 30 FGEDHM N#CC1(CS(=O)(=O)[N-]Cc2nc(C(F)(F)F)cs2)CCCCC1 ZINC000331042657 498242128 /nfs/dbraw/zinc/24/21/28/498242128.db2.gz DIRBTOBAZOSXSS-UHFFFAOYSA-N -1 3 367.418 3.055 20 30 FGEDHM Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCc1cccc(C#N)c1 ZINC000569750305 506008147 /nfs/dbraw/zinc/00/81/47/506008147.db2.gz ULILMWRBTRRFNZ-UHFFFAOYSA-N -1 3 358.394 3.273 20 30 FGEDHM CC(C)c1ccc(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)c([O-])c1 ZINC000331224175 498278941 /nfs/dbraw/zinc/27/89/41/498278941.db2.gz AUPNXYTZOCWPTA-ZDUSSCGKSA-N -1 3 358.360 3.374 20 30 FGEDHM Cc1ccc(NC(=O)[C@@H]2CCCN(c3nc(C)ccc3C#N)C2)c([O-])c1 ZINC000361405327 498387221 /nfs/dbraw/zinc/38/72/21/498387221.db2.gz NTFJOUUDUGURNB-MRXNPFEDSA-N -1 3 350.422 3.131 20 30 FGEDHM COc1cccc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1[O-] ZINC000286549362 498432043 /nfs/dbraw/zinc/43/20/43/498432043.db2.gz DKRSJPAROOKBDC-UHFFFAOYSA-N -1 3 370.380 3.095 20 30 FGEDHM COc1cc([N+](=O)[O-])c(C(=O)[N-]c2n[nH]c(C3CC3)c2C#N)cc1SC ZINC000290369686 498527191 /nfs/dbraw/zinc/52/71/91/498527191.db2.gz GZAGBRUQQVKLLU-UHFFFAOYSA-N -1 3 373.394 3.050 20 30 FGEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000572788495 506051994 /nfs/dbraw/zinc/05/19/94/506051994.db2.gz USCLCURKKCMGQB-OAHLLOKOSA-N -1 3 368.817 3.017 20 30 FGEDHM N#CCN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)C1CCCC1 ZINC000332129418 498571429 /nfs/dbraw/zinc/57/14/29/498571429.db2.gz GOSGOQBNJAPEDS-UHFFFAOYSA-N -1 3 374.238 3.199 20 30 FGEDHM N#CCN(C(=O)c1cnc2ccc(Br)cc2c1[O-])C1CCCC1 ZINC000332129418 498571433 /nfs/dbraw/zinc/57/14/33/498571433.db2.gz GOSGOQBNJAPEDS-UHFFFAOYSA-N -1 3 374.238 3.199 20 30 FGEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000315942741 498785590 /nfs/dbraw/zinc/78/55/90/498785590.db2.gz JASHVNHUCJEABU-UHFFFAOYSA-N -1 3 365.680 3.321 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](C)c1ccc(F)cc1 ZINC000299114046 498968950 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FGEDHM N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)c(Cl)c1 ZINC000408436591 499588750 /nfs/dbraw/zinc/58/87/50/499588750.db2.gz DXQVOBFFVREMOA-UFBFGSQYSA-N -1 3 363.664 3.073 20 30 FGEDHM CO[C@@H]1CCc2c(C#N)c([N-]C(=O)c3noc4c3C[C@@H](C)CC4)sc2C1 ZINC000410974514 499688259 /nfs/dbraw/zinc/68/82/59/499688259.db2.gz VYAKZZFOCANXFE-WDEREUQCSA-N -1 3 371.462 3.489 20 30 FGEDHM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1 ZINC000421158893 499976353 /nfs/dbraw/zinc/97/63/53/499976353.db2.gz SNTOOYDNSTUWKE-INIZCTEOSA-N -1 3 354.472 3.148 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000429877783 500160724 /nfs/dbraw/zinc/16/07/24/500160724.db2.gz DAYPLKYYMYUWLT-JTQLQIEISA-N -1 3 368.327 3.291 20 30 FGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC000416959940 500167128 /nfs/dbraw/zinc/16/71/28/500167128.db2.gz NPUIMINERKXZER-SECBINFHSA-N -1 3 372.315 3.393 20 30 FGEDHM C=C(C)CNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000430570003 500255898 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COC(=O)c1cccc2nc(NC(=O)c3cc4ccccc4n3CC#N)[n-]c21 ZINC000611213937 507564850 /nfs/dbraw/zinc/56/48/50/507564850.db2.gz HSIJNDLHTYXTOW-UHFFFAOYSA-N -1 3 373.372 3.080 20 30 FGEDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc4ccccc4n3CC#N)nc21 ZINC000611213937 507564854 /nfs/dbraw/zinc/56/48/54/507564854.db2.gz HSIJNDLHTYXTOW-UHFFFAOYSA-N -1 3 373.372 3.080 20 30 FGEDHM CSc1ccc(C)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737192373 598928313 /nfs/dbraw/zinc/92/83/13/598928313.db2.gz INBZNPCHIPCCQY-UHFFFAOYSA-N -1 3 350.407 3.021 20 30 FGEDHM CSc1ccc(C)c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737192373 598928314 /nfs/dbraw/zinc/92/83/14/598928314.db2.gz INBZNPCHIPCCQY-UHFFFAOYSA-N -1 3 350.407 3.021 20 30 FGEDHM C=C(C)COC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735402024 599128468 /nfs/dbraw/zinc/12/84/68/599128468.db2.gz FFMVJZLCZRMWFE-UHFFFAOYSA-N -1 3 350.378 3.179 20 30 FGEDHM CCc1ccc([C@H](C)CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736685003 599191633 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FGEDHM c1cnc2c(c1)cccc2CNN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000823815684 599339503 /nfs/dbraw/zinc/33/95/03/599339503.db2.gz HVEGGRZNLXJTOW-UHFFFAOYSA-N -1 3 369.432 3.245 20 30 FGEDHM COc1ccc(-c2nnn[n-]2)cc1CNc1cccc(OCCCC#N)c1 ZINC000821736129 607370983 /nfs/dbraw/zinc/37/09/83/607370983.db2.gz CKEXDTFVZMGDMB-UHFFFAOYSA-N -1 3 364.409 3.170 20 30 FGEDHM COc1ccc(-c2nn[n-]n2)cc1CNc1cccc(OCCCC#N)c1 ZINC000821736129 607370985 /nfs/dbraw/zinc/37/09/85/607370985.db2.gz CKEXDTFVZMGDMB-UHFFFAOYSA-N -1 3 364.409 3.170 20 30 FGEDHM CN(Cc1ccc(C#N)cc1)c1ccc(Br)cc1-c1nnn[n-]1 ZINC000736817169 599361852 /nfs/dbraw/zinc/36/18/52/599361852.db2.gz UAEKBNQPPYGRRI-UHFFFAOYSA-N -1 3 369.226 3.137 20 30 FGEDHM CN(Cc1ccc(C#N)cc1)c1ccc(Br)cc1-c1nn[n-]n1 ZINC000736817169 599361855 /nfs/dbraw/zinc/36/18/55/599361855.db2.gz UAEKBNQPPYGRRI-UHFFFAOYSA-N -1 3 369.226 3.137 20 30 FGEDHM C=CCOc1ccc(OCCCOc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819758840 599387860 /nfs/dbraw/zinc/38/78/60/599387860.db2.gz 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N#Cc1cc(-c2nn[n-]n2)c(S[C@@H]2CCc3c2cccc3Cl)nc1N ZINC000826383834 607710408 /nfs/dbraw/zinc/71/04/08/607710408.db2.gz SJVOWPYYLXQXFQ-CYBMUJFWSA-N -1 3 369.841 3.149 20 30 FGEDHM N#CCOc1ccc(Cl)cc1CN1C[C@@H]2CCC[C@H](NC(=O)[O-])[C@H]2C1 ZINC000833968193 605443123 /nfs/dbraw/zinc/44/31/23/605443123.db2.gz YCVWWKUHXKXVQY-RCBQFDQVSA-N -1 3 363.845 3.110 20 30 FGEDHM N#Cc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000822825661 606370894 /nfs/dbraw/zinc/37/08/94/606370894.db2.gz KSWDJPAVRPPTFG-UHFFFAOYSA-N -1 3 363.328 3.265 20 30 FGEDHM N#Cc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000822825661 606370896 /nfs/dbraw/zinc/37/08/96/606370896.db2.gz KSWDJPAVRPPTFG-UHFFFAOYSA-N -1 3 363.328 3.265 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822801851 606437609 /nfs/dbraw/zinc/43/76/09/606437609.db2.gz PPBJLRLBCRXCQV-MSOLQXFVSA-N -1 3 373.420 3.170 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822801851 606437611 /nfs/dbraw/zinc/43/76/11/606437611.db2.gz PPBJLRLBCRXCQV-MSOLQXFVSA-N -1 3 373.420 3.170 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1CCOc1cccc(-c2nn[n-]n2)c1 ZINC000822801386 606452016 /nfs/dbraw/zinc/45/20/16/606452016.db2.gz IICKGLIRQGOVFI-WOJBJXKFSA-N -1 3 374.448 3.017 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822801068 606452445 /nfs/dbraw/zinc/45/24/45/606452445.db2.gz DMKDIROAGPEMDB-IEBWSBKVSA-N -1 3 362.412 3.278 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822801068 606452447 /nfs/dbraw/zinc/45/24/47/606452447.db2.gz DMKDIROAGPEMDB-IEBWSBKVSA-N -1 3 362.412 3.278 20 30 FGEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000820093030 606492014 /nfs/dbraw/zinc/49/20/14/606492014.db2.gz RRXNQSFBGYTCJV-UHFFFAOYSA-N -1 3 366.450 3.098 20 30 FGEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000820093030 606492015 /nfs/dbraw/zinc/49/20/15/606492015.db2.gz RRXNQSFBGYTCJV-UHFFFAOYSA-N -1 3 366.450 3.098 20 30 FGEDHM Cc1cc(C)c(-c2nnn[n-]2)c(SCCCOc2cccc(C#N)c2)n1 ZINC000822193225 606865236 /nfs/dbraw/zinc/86/52/36/606865236.db2.gz PCQDUZKTSHPKBX-UHFFFAOYSA-N -1 3 366.450 3.311 20 30 FGEDHM Cc1cc(C)c(-c2nn[n-]n2)c(SCCCOc2cccc(C#N)c2)n1 ZINC000822193225 606865239 /nfs/dbraw/zinc/86/52/39/606865239.db2.gz PCQDUZKTSHPKBX-UHFFFAOYSA-N -1 3 366.450 3.311 20 30 FGEDHM c1cc2ncnc(N=NC3CCCc4cc(-c5nnn[n-]5)ccc43)c2s1 ZINC000823821072 606996174 /nfs/dbraw/zinc/99/61/74/606996174.db2.gz OLDLAMNKPVFQOH-UHFFFAOYSA-N -1 3 362.422 3.024 20 30 FGEDHM c1cc2ncnc(N=NC3CCCc4cc(-c5nn[n-]n5)ccc43)c2s1 ZINC000823821072 606996177 /nfs/dbraw/zinc/99/61/77/606996177.db2.gz OLDLAMNKPVFQOH-UHFFFAOYSA-N -1 3 362.422 3.024 20 30 FGEDHM CCSc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000825674880 607785536 /nfs/dbraw/zinc/78/55/36/607785536.db2.gz UBLUJCRSAKOPMI-UHFFFAOYSA-N -1 3 364.434 3.032 20 30 FGEDHM CCSc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000825674880 607785537 /nfs/dbraw/zinc/78/55/37/607785537.db2.gz UBLUJCRSAKOPMI-UHFFFAOYSA-N -1 3 364.434 3.032 20 30 FGEDHM CC(C)(CCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824152994 607829527 /nfs/dbraw/zinc/82/95/27/607829527.db2.gz WYWPAUAUBAMIHY-UHFFFAOYSA-N -1 3 360.421 3.435 20 30 FGEDHM CC(C)(CCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824152994 607829528 /nfs/dbraw/zinc/82/95/28/607829528.db2.gz WYWPAUAUBAMIHY-UHFFFAOYSA-N -1 3 360.421 3.435 20 30 FGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826402461 607884035 /nfs/dbraw/zinc/88/40/35/607884035.db2.gz VEVOGAUFXNPAMM-VURMDHGXSA-N -1 3 355.741 3.324 20 30 FGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826402461 607884036 /nfs/dbraw/zinc/88/40/36/607884036.db2.gz VEVOGAUFXNPAMM-VURMDHGXSA-N -1 3 355.741 3.324 20 30 FGEDHM C=C[C@@H](CC(=O)OCCOc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823882618 607980751 /nfs/dbraw/zinc/98/07/51/607980751.db2.gz ANIPHFBQKFPXBM-HNNXBMFYSA-N -1 3 364.405 3.149 20 30 FGEDHM C=C[C@@H](CC(=O)OCCOc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823882618 607980752 /nfs/dbraw/zinc/98/07/52/607980752.db2.gz ANIPHFBQKFPXBM-HNNXBMFYSA-N -1 3 364.405 3.149 20 30 FGEDHM N#Cc1ccccc1-c1ccc(CNc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826386972 608295352 /nfs/dbraw/zinc/29/53/52/608295352.db2.gz AKCPPNLOXPSVDH-UHFFFAOYSA-N -1 3 353.389 3.412 20 30 FGEDHM N#Cc1ccccc1-c1ccc(CNc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826386972 608295354 /nfs/dbraw/zinc/29/53/54/608295354.db2.gz AKCPPNLOXPSVDH-UHFFFAOYSA-N -1 3 353.389 3.412 20 30 FGEDHM COc1ccc(CSCc2ccc(-c3nnn[n-]3)cc2OC)cc1C#N ZINC000826207797 608322935 /nfs/dbraw/zinc/32/29/35/608322935.db2.gz DQDPVDYXWDJMQM-UHFFFAOYSA-N -1 3 367.434 3.189 20 30 FGEDHM COc1ccc(CSCc2ccc(-c3nn[n-]n3)cc2OC)cc1C#N ZINC000826207797 608322937 /nfs/dbraw/zinc/32/29/37/608322937.db2.gz DQDPVDYXWDJMQM-UHFFFAOYSA-N -1 3 367.434 3.189 20 30 FGEDHM N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(-c4nnn[n-]4)c3)CC2)cc1 ZINC000826384995 608469122 /nfs/dbraw/zinc/46/91/22/608469122.db2.gz SLVZQECJOWAVDT-UHFFFAOYSA-N -1 3 371.404 3.060 20 30 FGEDHM N#Cc1ccc(C2=CCN(C(=O)Nc3cccc(-c4nn[n-]n4)c3)CC2)cc1 ZINC000826384995 608469124 /nfs/dbraw/zinc/46/91/24/608469124.db2.gz SLVZQECJOWAVDT-UHFFFAOYSA-N -1 3 371.404 3.060 20 30 FGEDHM N#Cc1ccc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826385362 608469330 /nfs/dbraw/zinc/46/93/30/608469330.db2.gz IXHWJEZGBDRARI-UHFFFAOYSA-N -1 3 371.404 3.060 20 30 FGEDHM N#Cc1ccc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826385362 608469331 /nfs/dbraw/zinc/46/93/31/608469331.db2.gz IXHWJEZGBDRARI-UHFFFAOYSA-N -1 3 371.404 3.060 20 30 FGEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(Cl)s1 ZINC000823953793 608535138 /nfs/dbraw/zinc/53/51/38/608535138.db2.gz QLCLMOGYEPHYOE-UHFFFAOYSA-N -1 3 354.226 3.466 20 30 FGEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(Cl)s1 ZINC000823953793 608535139 /nfs/dbraw/zinc/53/51/39/608535139.db2.gz QLCLMOGYEPHYOE-UHFFFAOYSA-N -1 3 354.226 3.466 20 30 FGEDHM CC(C)CCn1cccc1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824249220 608540158 /nfs/dbraw/zinc/54/01/58/608540158.db2.gz LMBRZSXWVWTYPC-UHFFFAOYSA-N -1 3 358.837 3.209 20 30 FGEDHM CC(C)CCn1cccc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824249220 608540159 /nfs/dbraw/zinc/54/01/59/608540159.db2.gz LMBRZSXWVWTYPC-UHFFFAOYSA-N -1 3 358.837 3.209 20 30 FGEDHM Cc1[nH]c2ccccc2c1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826233739 608541088 /nfs/dbraw/zinc/54/10/88/608541088.db2.gz UIDZPKQSWCNNPN-UHFFFAOYSA-N -1 3 352.789 3.151 20 30 FGEDHM Cc1[nH]c2ccccc2c1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826233739 608541091 /nfs/dbraw/zinc/54/10/91/608541091.db2.gz UIDZPKQSWCNNPN-UHFFFAOYSA-N -1 3 352.789 3.151 20 30 FGEDHM C=CCCC[C@@H](C)NC(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000823894929 608588143 /nfs/dbraw/zinc/58/81/43/608588143.db2.gz ZSRCDAGJPQRTSZ-CQSZACIVSA-N -1 3 374.514 3.144 20 30 FGEDHM C=CCCC[C@@H](C)NC(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000823894929 608588145 /nfs/dbraw/zinc/58/81/45/608588145.db2.gz ZSRCDAGJPQRTSZ-CQSZACIVSA-N -1 3 374.514 3.144 20 30 FGEDHM C=CCC[C@H](CCC)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000823894345 609241585 /nfs/dbraw/zinc/24/15/85/609241585.db2.gz NRJRMKHTHMLYTL-HNNXBMFYSA-N -1 3 370.501 3.375 20 30 FGEDHM C=CCC[C@H](CCC)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000823894345 609241586 /nfs/dbraw/zinc/24/15/86/609241586.db2.gz NRJRMKHTHMLYTL-HNNXBMFYSA-N -1 3 370.501 3.375 20 30 FGEDHM CCOc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1O ZINC000825616125 609269973 /nfs/dbraw/zinc/26/99/73/609269973.db2.gz XMWXSGXBQRZESW-XVNBXDOJSA-N -1 3 354.341 3.006 20 30 FGEDHM CCOc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1O ZINC000825616125 609269974 /nfs/dbraw/zinc/26/99/74/609269974.db2.gz XMWXSGXBQRZESW-XVNBXDOJSA-N -1 3 354.341 3.006 20 30 FGEDHM C=CCN(CCc1ccccc1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823903940 609289702 /nfs/dbraw/zinc/28/97/02/609289702.db2.gz NYIMEMSUESIFAO-UHFFFAOYSA-N -1 3 367.840 3.391 20 30 FGEDHM C=CCN(CCc1ccccc1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823903940 609289703 /nfs/dbraw/zinc/28/97/03/609289703.db2.gz NYIMEMSUESIFAO-UHFFFAOYSA-N -1 3 367.840 3.391 20 30 FGEDHM COc1ccc(CNc2cccc(-c3nnn[n-]3)c2)cc1OCCCC#N ZINC000826203811 609474948 /nfs/dbraw/zinc/47/49/48/609474948.db2.gz HCGMBQYHRWKNCZ-UHFFFAOYSA-N -1 3 364.409 3.170 20 30 FGEDHM COc1ccc(CNc2cccc(-c3nn[n-]n3)c2)cc1OCCCC#N ZINC000826203811 609474950 /nfs/dbraw/zinc/47/49/50/609474950.db2.gz HCGMBQYHRWKNCZ-UHFFFAOYSA-N -1 3 364.409 3.170 20 30 FGEDHM N#Cc1cc(-c2nnn[n-]2)c(SCCCc2ccccc2Cl)nc1N ZINC000826383521 609486766 /nfs/dbraw/zinc/48/67/66/609486766.db2.gz FAPLGYLTXWBAOQ-UHFFFAOYSA-N -1 3 371.857 3.094 20 30 FGEDHM N#Cc1cc(-c2nn[n-]n2)c(SCCCc2ccccc2Cl)nc1N ZINC000826383521 609486769 /nfs/dbraw/zinc/48/67/69/609486769.db2.gz FAPLGYLTXWBAOQ-UHFFFAOYSA-N -1 3 371.857 3.094 20 30 FGEDHM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000076947150 700244185 /nfs/dbraw/zinc/24/41/85/700244185.db2.gz VTOFNJSFVNAMBK-YUMQZZPRSA-N -1 3 365.356 3.351 20 30 FGEDHM CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000076947150 700244189 /nfs/dbraw/zinc/24/41/89/700244189.db2.gz VTOFNJSFVNAMBK-YUMQZZPRSA-N -1 3 365.356 3.351 20 30 FGEDHM N#C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(Cl)c(Cl)c1 ZINC000118337842 700609671 /nfs/dbraw/zinc/60/96/71/700609671.db2.gz LKUADTBNDARXEN-CQSZACIVSA-N -1 3 373.199 3.225 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2F)cc1Cl ZINC000179624706 705707893 /nfs/dbraw/zinc/70/78/93/705707893.db2.gz YOSRUPYDOOUZNF-UHFFFAOYSA-N -1 3 355.734 3.060 20 30 FGEDHM COc1ccc(S(=O)(=O)N(C)C)cc1N=Cc1cc(Cl)ccc1[O-] ZINC000255900037 713709894 /nfs/dbraw/zinc/70/98/94/713709894.db2.gz LIKIYRTVTNQKCS-UHFFFAOYSA-N -1 3 368.842 3.055 20 30 FGEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000263200299 713740333 /nfs/dbraw/zinc/74/03/33/713740333.db2.gz XDCHTIUFBBZTRO-JKSUJKDBSA-N -1 3 364.511 3.228 20 30 FGEDHM N#CCc1cccc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)c1 ZINC000619569649 714853596 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CC(C)(C)[C@@](C)(C#N)[N-]S(=O)(=O)c1cscc1Br ZINC000601961215 507531146 /nfs/dbraw/zinc/53/11/46/507531146.db2.gz BWLAUNVMWQKRDS-LLVKDONJSA-N -1 3 351.291 3.117 20 30 FGEDHM COc1ccc(C(=O)N[C@H](C#N)c2ccccc2Br)c([O-])c1 ZINC000611280826 507603056 /nfs/dbraw/zinc/60/30/56/507603056.db2.gz SPFNGJFBENOVNU-CQSZACIVSA-N -1 3 361.195 3.158 20 30 FGEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 ZINC000611292257 507607907 /nfs/dbraw/zinc/60/79/07/507607907.db2.gz OCAFOLWBLUESCW-LBPRGKRZSA-N -1 3 371.528 3.086 20 30 FGEDHM N#CC[C@@H](CC(=O)NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccccc1 ZINC000602195327 507623788 /nfs/dbraw/zinc/62/37/88/507623788.db2.gz QTHQZSDQCRJEGZ-INIZCTEOSA-N -1 3 350.422 3.153 20 30 FGEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3coc(C4CCC4)n3)sc2C1 ZINC000598891825 507666461 /nfs/dbraw/zinc/66/64/61/507666461.db2.gz ULJDEJXBVALSJM-UHFFFAOYSA-N -1 3 370.434 3.032 20 30 FGEDHM C=C(C)CN(C)C(=O)C(=O)[N-]c1scc(CC(C)C)c1C(=O)OCC ZINC000611499434 507708344 /nfs/dbraw/zinc/70/83/44/507708344.db2.gz CTXCCXIXGCGMNB-UHFFFAOYSA-N -1 3 366.483 3.096 20 30 FGEDHM C=C(C)[C@@H](CC(=O)Nc1nnc(-c2ccc3ccccc3n2)[n-]1)OCC ZINC000615120287 507760878 /nfs/dbraw/zinc/76/08/78/507760878.db2.gz WTYUJDQBKJWVOV-MRXNPFEDSA-N -1 3 351.410 3.330 20 30 FGEDHM C=C(C)[C@@H](CC(=O)Nc1nc(-c2ccc3ccccc3n2)n[n-]1)OCC ZINC000615120287 507760879 /nfs/dbraw/zinc/76/08/79/507760879.db2.gz WTYUJDQBKJWVOV-MRXNPFEDSA-N -1 3 351.410 3.330 20 30 FGEDHM C=C(C)[C@@H](CC(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1)OCC ZINC000615120287 507760882 /nfs/dbraw/zinc/76/08/82/507760882.db2.gz WTYUJDQBKJWVOV-MRXNPFEDSA-N -1 3 351.410 3.330 20 30 FGEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1csc(-c2ccsc2)n1 ZINC000819718925 607252575 /nfs/dbraw/zinc/25/25/75/607252575.db2.gz UVYFOTLLTVFYKE-UHFFFAOYSA-N -1 3 367.463 3.175 20 30 FGEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2ccsc2)n1 ZINC000819718925 607252576 /nfs/dbraw/zinc/25/25/76/607252576.db2.gz UVYFOTLLTVFYKE-UHFFFAOYSA-N -1 3 367.463 3.175 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000735420721 598853296 /nfs/dbraw/zinc/85/32/96/598853296.db2.gz RAIRUWWRAMCRMC-IIDMSEBBSA-N -1 3 368.485 3.389 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000735420721 598853297 /nfs/dbraw/zinc/85/32/97/598853297.db2.gz RAIRUWWRAMCRMC-IIDMSEBBSA-N -1 3 368.485 3.389 20 30 FGEDHM COc1ccc2oc(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c(C)c2c1 ZINC000737120697 598918394 /nfs/dbraw/zinc/91/83/94/598918394.db2.gz RZVNAJCHULZFPW-UHFFFAOYSA-N -1 3 374.360 3.054 20 30 FGEDHM COc1ccc2oc(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c(C)c2c1 ZINC000737120697 598918396 /nfs/dbraw/zinc/91/83/96/598918396.db2.gz RZVNAJCHULZFPW-UHFFFAOYSA-N -1 3 374.360 3.054 20 30 FGEDHM N#Cc1ccc(NC(=O)C=Cc2ccccc2Cl)cc1-c1nnn[n-]1 ZINC000737716185 598920021 /nfs/dbraw/zinc/92/00/21/598920021.db2.gz MASIYTIUASXDGZ-SOFGYWHQSA-N -1 3 350.769 3.044 20 30 FGEDHM N#Cc1ccc(NC(=O)C=Cc2ccccc2Cl)cc1-c1nn[n-]n1 ZINC000737716185 598920023 /nfs/dbraw/zinc/92/00/23/598920023.db2.gz MASIYTIUASXDGZ-SOFGYWHQSA-N -1 3 350.769 3.044 20 30 FGEDHM CC(=NNc1ccccc1)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735451316 599148615 /nfs/dbraw/zinc/14/86/15/599148615.db2.gz XKJHARDZWGSLOB-UHFFFAOYSA-N -1 3 358.409 3.197 20 30 FGEDHM O=C(C=Cc1ccc(OCC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737798672 599151573 /nfs/dbraw/zinc/15/15/73/599151573.db2.gz UFGMAYAFROTYPD-XCVCLJGOSA-N -1 3 356.332 3.407 20 30 FGEDHM O=C(C=Cc1ccc(OCC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737798672 599151576 /nfs/dbraw/zinc/15/15/76/599151576.db2.gz UFGMAYAFROTYPD-XCVCLJGOSA-N -1 3 356.332 3.407 20 30 FGEDHM COc1ccc(C=CC(=O)c2ccc(SC)cc2)cc1-c1nnn[n-]1 ZINC000737081581 599153243 /nfs/dbraw/zinc/15/32/43/599153243.db2.gz PDQLLZHJTWPEQH-YCRREMRBSA-N -1 3 352.419 3.493 20 30 FGEDHM COc1ccc(C=CC(=O)c2ccc(SC)cc2)cc1-c1nn[n-]n1 ZINC000737081581 599153246 /nfs/dbraw/zinc/15/32/46/599153246.db2.gz PDQLLZHJTWPEQH-YCRREMRBSA-N -1 3 352.419 3.493 20 30 FGEDHM COc1ccc(C=C2COc3cc(C)cc(C)c3C2=O)cc1-c1nnn[n-]1 ZINC000737084791 599155892 /nfs/dbraw/zinc/15/58/92/599155892.db2.gz VZXDQIIOQMYTCB-ZSOIEALJSA-N -1 3 362.389 3.151 20 30 FGEDHM COc1ccc(C=C2COc3cc(C)cc(C)c3C2=O)cc1-c1nn[n-]n1 ZINC000737084791 599155896 /nfs/dbraw/zinc/15/58/96/599155896.db2.gz VZXDQIIOQMYTCB-ZSOIEALJSA-N -1 3 362.389 3.151 20 30 FGEDHM N#Cc1ccc(NC(=O)CCc2cc(Cl)cs2)cc1-c1nnn[n-]1 ZINC000737715871 599193123 /nfs/dbraw/zinc/19/31/23/599193123.db2.gz GEWIBMLEKZLDNI-UHFFFAOYSA-N -1 3 358.814 3.025 20 30 FGEDHM N#Cc1ccc(NC(=O)CCc2cc(Cl)cs2)cc1-c1nn[n-]n1 ZINC000737715871 599193126 /nfs/dbraw/zinc/19/31/26/599193126.db2.gz GEWIBMLEKZLDNI-UHFFFAOYSA-N -1 3 358.814 3.025 20 30 FGEDHM C=CC[C@@H](C)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735409959 599203373 /nfs/dbraw/zinc/20/33/73/599203373.db2.gz PYAICTJTQFZTHV-CQSZACIVSA-N -1 3 363.421 3.140 20 30 FGEDHM C=CC[C@@H](C)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735409959 599203375 /nfs/dbraw/zinc/20/33/75/599203375.db2.gz PYAICTJTQFZTHV-CQSZACIVSA-N -1 3 363.421 3.140 20 30 FGEDHM N#CCCn1cc(CNCc2cccc(C(=O)[O-])c2)c(-c2ccccc2)n1 ZINC000617338515 598194123 /nfs/dbraw/zinc/19/41/23/598194123.db2.gz DJKXOPMJQXLENE-UHFFFAOYSA-N -1 3 360.417 3.452 20 30 FGEDHM Oc1cccc2c1CCC2=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000738400809 598315121 /nfs/dbraw/zinc/31/51/21/598315121.db2.gz KRFNOBGOOJMKJK-UHFFFAOYSA-N -1 3 374.326 3.354 20 30 FGEDHM Oc1cccc2c1CCC2=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000738400809 598315123 /nfs/dbraw/zinc/31/51/23/598315123.db2.gz KRFNOBGOOJMKJK-UHFFFAOYSA-N -1 3 374.326 3.354 20 30 FGEDHM C#Cc1cccc(NC(=S)N(CC=C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735391396 598322968 /nfs/dbraw/zinc/32/29/68/598322968.db2.gz RVOGDIUVWOUULF-UHFFFAOYSA-N -1 3 374.473 3.233 20 30 FGEDHM C#Cc1cccc(NC(=S)N(CC=C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735391396 598322969 /nfs/dbraw/zinc/32/29/69/598322969.db2.gz RVOGDIUVWOUULF-UHFFFAOYSA-N -1 3 374.473 3.233 20 30 FGEDHM N#Cc1ccccc1CSCCNc1ncc(-c2nnn[n-]2)cc1Cl ZINC000737726993 598387197 /nfs/dbraw/zinc/38/71/97/598387197.db2.gz AOQLABHUBSDIBB-UHFFFAOYSA-N -1 3 371.857 3.132 20 30 FGEDHM N#Cc1ccccc1CSCCNc1ncc(-c2nn[n-]n2)cc1Cl ZINC000737726993 598387198 /nfs/dbraw/zinc/38/71/98/598387198.db2.gz AOQLABHUBSDIBB-UHFFFAOYSA-N -1 3 371.857 3.132 20 30 FGEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000735502278 598495758 /nfs/dbraw/zinc/49/57/58/598495758.db2.gz DEPQTLFQRGHNLX-SNVBAGLBSA-N -1 3 370.463 3.432 20 30 FGEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000735502278 598495759 /nfs/dbraw/zinc/49/57/59/598495759.db2.gz DEPQTLFQRGHNLX-SNVBAGLBSA-N -1 3 370.463 3.432 20 30 FGEDHM C#Cc1cccc(N(C(=S)Nc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000735390263 598606552 /nfs/dbraw/zinc/60/65/52/598606552.db2.gz VVDXTSKRUKTUIR-UHFFFAOYSA-N -1 3 362.462 3.460 20 30 FGEDHM C#Cc1cccc(N(C(=S)Nc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000735390263 598606554 /nfs/dbraw/zinc/60/65/54/598606554.db2.gz VVDXTSKRUKTUIR-UHFFFAOYSA-N -1 3 362.462 3.460 20 30 FGEDHM C=CCN(Cc1cccs1)C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819745893 599474726 /nfs/dbraw/zinc/47/47/26/599474726.db2.gz TVWOHTORUVUWBC-ZDUSSCGKSA-N -1 3 368.466 3.387 20 30 FGEDHM C=CCN(Cc1cccs1)C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819745893 599474728 /nfs/dbraw/zinc/47/47/28/599474728.db2.gz TVWOHTORUVUWBC-ZDUSSCGKSA-N -1 3 368.466 3.387 20 30 FGEDHM C=C(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000819722549 599639897 /nfs/dbraw/zinc/63/98/97/599639897.db2.gz MPTIWGQBVYHKOA-UHFFFAOYSA-N -1 3 361.409 3.031 20 30 FGEDHM C=C(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000819722549 599639898 /nfs/dbraw/zinc/63/98/98/599639898.db2.gz MPTIWGQBVYHKOA-UHFFFAOYSA-N -1 3 361.409 3.031 20 30 FGEDHM C=CCN(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819745638 599680415 /nfs/dbraw/zinc/68/04/15/599680415.db2.gz NHAVDJVWSKCXHQ-OAHLLOKOSA-N -1 3 362.437 3.326 20 30 FGEDHM C=CCN(Cc1ccccc1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819745638 599680416 /nfs/dbraw/zinc/68/04/16/599680416.db2.gz NHAVDJVWSKCXHQ-OAHLLOKOSA-N -1 3 362.437 3.326 20 30 FGEDHM N#Cc1ccccc1N1CCCN(Cc2ccc(F)cc2C(=O)[O-])CC1 ZINC000739146311 600086726 /nfs/dbraw/zinc/08/67/26/600086726.db2.gz BVVHQGSIUHCRMX-UHFFFAOYSA-N -1 3 353.397 3.108 20 30 FGEDHM N#Cc1ccc([C@H](NCc2cccc(NC(=O)C3CCC3)c2)C(=O)[O-])cc1 ZINC000739104938 600592649 /nfs/dbraw/zinc/59/26/49/600592649.db2.gz DVYPGSWYXHPQNN-IBGZPJMESA-N -1 3 363.417 3.212 20 30 FGEDHM CC[C@H](C)C(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736871308 600594545 /nfs/dbraw/zinc/59/45/45/600594545.db2.gz RFYPEAHJXHXLHA-IFXJQAMLSA-N -1 3 365.433 3.458 20 30 FGEDHM N#Cc1ccc([C@H](NCc2cc(Br)cs2)C(=O)[O-])cc1 ZINC000739104586 600595119 /nfs/dbraw/zinc/59/51/19/600595119.db2.gz BZTJLSUZAMKBFM-ZDUSSCGKSA-N -1 3 351.225 3.298 20 30 FGEDHM CC(C)CC(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736401756 600595797 /nfs/dbraw/zinc/59/57/97/600595797.db2.gz LQVOHQAHSNNNNC-HXUWFJFHSA-N -1 3 365.433 3.458 20 30 FGEDHM C[C@@H](CSCC(=O)C(C#N)c1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000736616860 600599251 /nfs/dbraw/zinc/59/92/51/600599251.db2.gz MVAKYVZDBCLYHT-AAEUAGOBSA-N -1 3 360.460 3.440 20 30 FGEDHM Cc1c(C(=O)C=Cc2cncc3ccccc23)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822015539 607460009 /nfs/dbraw/zinc/46/00/09/607460009.db2.gz MGUGNBRJIJCHFB-CMDGGOBGSA-N -1 3 370.416 3.367 20 30 FGEDHM Cc1c(C(=O)C=Cc2cncc3ccccc23)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822015539 607460011 /nfs/dbraw/zinc/46/00/11/607460011.db2.gz MGUGNBRJIJCHFB-CMDGGOBGSA-N -1 3 370.416 3.367 20 30 FGEDHM CN(CCOc1cccc(C#N)c1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830791441 601903217 /nfs/dbraw/zinc/90/32/17/601903217.db2.gz BSEPRBRNKOIXQJ-QGZVFWFLSA-N -1 3 364.323 3.112 20 30 FGEDHM COc1ccc(CSCCOc2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000826207898 607534337 /nfs/dbraw/zinc/53/43/37/607534337.db2.gz JURWTOFARBQGMG-UHFFFAOYSA-N -1 3 367.434 3.059 20 30 FGEDHM COc1ccc(CSCCOc2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000826207898 607534338 /nfs/dbraw/zinc/53/43/38/607534338.db2.gz JURWTOFARBQGMG-UHFFFAOYSA-N -1 3 367.434 3.059 20 30 FGEDHM COc1ccc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cc1C#N ZINC000826203758 607557942 /nfs/dbraw/zinc/55/79/42/607557942.db2.gz DZLJOUDFLVWWCG-UHFFFAOYSA-N -1 3 374.326 3.378 20 30 FGEDHM COc1ccc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cc1C#N ZINC000826203758 607557944 /nfs/dbraw/zinc/55/79/44/607557944.db2.gz DZLJOUDFLVWWCG-UHFFFAOYSA-N -1 3 374.326 3.378 20 30 FGEDHM N#CC(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)C(=O)Nc1ccccc1 ZINC000740302770 602670800 /nfs/dbraw/zinc/67/08/00/602670800.db2.gz DCKUENMOMSLZGY-SJORKVTESA-N -1 3 365.389 3.123 20 30 FGEDHM O=C(OCC#Cc1ccccc1Cl)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826462703 607612966 /nfs/dbraw/zinc/61/29/66/607612966.db2.gz FZRXCAUVEPHANS-UHFFFAOYSA-N -1 3 374.734 3.007 20 30 FGEDHM O=C(OCC#Cc1ccccc1Cl)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826462703 607612968 /nfs/dbraw/zinc/61/29/68/607612968.db2.gz FZRXCAUVEPHANS-UHFFFAOYSA-N -1 3 374.734 3.007 20 30 FGEDHM CN(Cc1ccc(C#N)cc1OC(F)F)C1CCC(NC(=O)[O-])CC1 ZINC000828350389 603740290 /nfs/dbraw/zinc/74/02/90/603740290.db2.gz GDQSPKOXKQUQJP-UHFFFAOYSA-N -1 3 353.369 3.170 20 30 FGEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)[nH]1 ZINC000826384320 607708976 /nfs/dbraw/zinc/70/89/76/607708976.db2.gz QNZIGLBPCUWVOJ-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#Cc1cccc(SCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000822837142 606329612 /nfs/dbraw/zinc/32/96/12/606329612.db2.gz GNXPAFUNYSHGGJ-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1cccc(SCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822837142 606329614 /nfs/dbraw/zinc/32/96/14/606329614.db2.gz GNXPAFUNYSHGGJ-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM Cc1cc(CCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(C)s1 ZINC000822200242 606604356 /nfs/dbraw/zinc/60/43/56/606604356.db2.gz ZOTBAVVYSHMNIP-UHFFFAOYSA-N -1 3 366.450 3.378 20 30 FGEDHM Cc1cc(CCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(C)s1 ZINC000822200242 606604358 /nfs/dbraw/zinc/60/43/58/606604358.db2.gz ZOTBAVVYSHMNIP-UHFFFAOYSA-N -1 3 366.450 3.378 20 30 FGEDHM O=C(C=Cc1c[nH]nc1-c1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000822923270 606695323 /nfs/dbraw/zinc/69/53/23/606695323.db2.gz PJJOPGRCDSGEAY-KTKRTIGZSA-N -1 3 360.352 3.292 20 30 FGEDHM O=C(C=Cc1c[nH]nc1-c1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000822923270 606695324 /nfs/dbraw/zinc/69/53/24/606695324.db2.gz PJJOPGRCDSGEAY-KTKRTIGZSA-N -1 3 360.352 3.292 20 30 FGEDHM CC(N=Nc1nc(C(F)(F)F)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000819782020 606703077 /nfs/dbraw/zinc/70/30/77/606703077.db2.gz HWLLYMKIXPWEDH-UHFFFAOYSA-N -1 3 353.333 3.178 20 30 FGEDHM CC(N=Nc1nc(C(F)(F)F)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000819782020 606703078 /nfs/dbraw/zinc/70/30/78/606703078.db2.gz HWLLYMKIXPWEDH-UHFFFAOYSA-N -1 3 353.333 3.178 20 30 FGEDHM O=C1c2ccc(Br)cc2OC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000823503836 606764120 /nfs/dbraw/zinc/76/41/20/606764120.db2.gz JKYSFAFRZHNNCM-AUWJEWJLSA-N -1 3 369.178 3.245 20 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/nfs/dbraw/zinc/84/31/13/606843113.db2.gz AZSQEVPQMQHOPF-UHFFFAOYSA-N -1 3 351.435 3.441 20 30 FGEDHM N#Cc1cccc(OCCCSCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822836931 606843115 /nfs/dbraw/zinc/84/31/15/606843115.db2.gz AZSQEVPQMQHOPF-UHFFFAOYSA-N -1 3 351.435 3.441 20 30 FGEDHM O=C1c2cc3c(cc2OCCC1=Cc1ccc(-c2nnn[n-]2)s1)CCC3 ZINC000823504146 607171525 /nfs/dbraw/zinc/17/15/25/607171525.db2.gz MTEAYCONEVVZET-MDWZMJQESA-N -1 3 364.430 3.466 20 30 FGEDHM CC=C(C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000825028722 608039220 /nfs/dbraw/zinc/03/92/20/608039220.db2.gz JXMAUEBOTMABBN-DQPCJIFYSA-N -1 3 350.407 3.133 20 30 FGEDHM CC=C(C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000825028722 608039221 /nfs/dbraw/zinc/03/92/21/608039221.db2.gz JXMAUEBOTMABBN-DQPCJIFYSA-N -1 3 350.407 3.133 20 30 FGEDHM O=C(C=Cc1nccn1Cc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403096 608093224 /nfs/dbraw/zinc/09/32/24/608093224.db2.gz JSTSPFUNCSSPKR-RMKNXTFCSA-N -1 3 362.418 3.069 20 30 FGEDHM COc1ccc(C=C2Cc3ccc(Cl)cc3C2=O)cc1-c1nnn[n-]1 ZINC000826190595 608094974 /nfs/dbraw/zinc/09/49/74/608094974.db2.gz GTSCIKNIZFSQKS-WUXMJOGZSA-N -1 3 352.781 3.351 20 30 FGEDHM COc1ccc(C=C2Cc3ccc(Cl)cc3C2=O)cc1-c1nn[n-]n1 ZINC000826190595 608094975 /nfs/dbraw/zinc/09/49/75/608094975.db2.gz GTSCIKNIZFSQKS-WUXMJOGZSA-N -1 3 352.781 3.351 20 30 FGEDHM CC(=NNCc1cccc2cccnc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953679 609158949 /nfs/dbraw/zinc/15/89/49/609158949.db2.gz LQXGQCCGAPLOKS-UHFFFAOYSA-N -1 3 361.384 3.068 20 30 FGEDHM CC(=NNCc1cccc2cccnc21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953679 609158950 /nfs/dbraw/zinc/15/89/50/609158950.db2.gz LQXGQCCGAPLOKS-UHFFFAOYSA-N -1 3 361.384 3.068 20 30 FGEDHM CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000825380868 609208544 /nfs/dbraw/zinc/20/85/44/609208544.db2.gz WDPDHBINVQVCOT-UHFFFAOYSA-N -1 3 358.405 3.089 20 30 FGEDHM CCN(C(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000825380868 609208546 /nfs/dbraw/zinc/20/85/46/609208546.db2.gz WDPDHBINVQVCOT-UHFFFAOYSA-N -1 3 358.405 3.089 20 30 FGEDHM N#CC1(c2ccc(COC(=O)C=Cc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000826380878 609244494 /nfs/dbraw/zinc/24/44/94/609244494.db2.gz PBWVLLTXZDALER-JXMROGBWSA-N -1 3 371.400 3.178 20 30 FGEDHM N#CC1(c2ccc(COC(=O)C=Cc3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000826380878 609244495 /nfs/dbraw/zinc/24/44/95/609244495.db2.gz PBWVLLTXZDALER-JXMROGBWSA-N -1 3 371.400 3.178 20 30 FGEDHM O=C(C=Cc1cn2cc(Cl)ccc2n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402874 609273184 /nfs/dbraw/zinc/27/31/84/609273184.db2.gz DZYBAGFCADIWGD-HWKANZROSA-N -1 3 368.759 3.203 20 30 FGEDHM O=C(C=Cc1cn2cc(Cl)ccc2n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402874 609273185 /nfs/dbraw/zinc/27/31/85/609273185.db2.gz DZYBAGFCADIWGD-HWKANZROSA-N -1 3 368.759 3.203 20 30 FGEDHM CC(N=Nc1nc(C(F)(F)F)cs1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823961873 609276970 /nfs/dbraw/zinc/27/69/70/609276970.db2.gz AVMRHYOFNSPCDO-UHFFFAOYSA-N -1 3 371.323 3.317 20 30 FGEDHM CC(N=Nc1nc(C(F)(F)F)cs1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823961873 609276972 /nfs/dbraw/zinc/27/69/72/609276972.db2.gz AVMRHYOFNSPCDO-UHFFFAOYSA-N -1 3 371.323 3.317 20 30 FGEDHM N#CCCCCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826381255 609316753 /nfs/dbraw/zinc/31/67/53/609316753.db2.gz DJEMEYVTRZXKNL-UHFFFAOYSA-N -1 3 362.393 3.083 20 30 FGEDHM N#CCCCCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826381255 609316754 /nfs/dbraw/zinc/31/67/54/609316754.db2.gz DJEMEYVTRZXKNL-UHFFFAOYSA-N -1 3 362.393 3.083 20 30 FGEDHM CC(C)(C#N)COC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000824059209 609356964 /nfs/dbraw/zinc/35/69/64/609356964.db2.gz OYAJRFQAVROGNJ-UHFFFAOYSA-N -1 3 363.377 3.366 20 30 FGEDHM CC(C)(C#N)COC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824059209 609356965 /nfs/dbraw/zinc/35/69/65/609356965.db2.gz OYAJRFQAVROGNJ-UHFFFAOYSA-N -1 3 363.377 3.366 20 30 FGEDHM O=C1c2ccc(F)cc2OCCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826475389 609372410 /nfs/dbraw/zinc/37/24/10/609372410.db2.gz DRDHPWRFICSYBQ-YRNVUSSQSA-N -1 3 354.316 3.194 20 30 FGEDHM O=C1c2ccc(F)cc2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826475389 609372413 /nfs/dbraw/zinc/37/24/13/609372413.db2.gz DRDHPWRFICSYBQ-YRNVUSSQSA-N -1 3 354.316 3.194 20 30 FGEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000113144754 700567995 /nfs/dbraw/zinc/56/79/95/700567995.db2.gz KYHLVJXLAHGYMX-LLVKDONJSA-N -1 3 364.188 3.358 20 30 FGEDHM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000177876360 705643440 /nfs/dbraw/zinc/64/34/40/705643440.db2.gz OAODSPIUSIIUQT-JXMROGBWSA-N -1 3 350.346 3.280 20 30 FGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2cncc(Br)c2)c1 ZINC000193436029 712891238 /nfs/dbraw/zinc/89/12/38/712891238.db2.gz UDBCCXAVOIQFQO-CQSZACIVSA-N -1 3 358.195 3.114 20 30 FGEDHM [O-]c1c(O)ccc(C=Nc2ccc(F)cc2I)c1O ZINC000255084569 713683412 /nfs/dbraw/zinc/68/34/12/713683412.db2.gz DYNFTYQCBBZNNE-UHFFFAOYSA-N -1 3 373.121 3.298 20 30 FGEDHM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(C)C ZINC000310731322 713800588 /nfs/dbraw/zinc/80/05/88/713800588.db2.gz WOGYHAHDTCYULJ-LLVKDONJSA-N -1 3 350.665 3.039 20 30 FGEDHM C=C(C)[C@@H](CO)Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000681647573 722215368 /nfs/dbraw/zinc/21/53/68/722215368.db2.gz SJRYYFINHDKRHF-CYBMUJFWSA-N -1 3 362.842 3.204 20 30 FGEDHM COc1cc(C=NNc2ccc(OC(F)F)cc2)c([N+](=O)[O-])cc1[O-] ZINC000726426714 722434027 /nfs/dbraw/zinc/43/40/27/722434027.db2.gz DJDWFBDVLZHYRD-UHFFFAOYSA-N -1 3 353.281 3.356 20 30 FGEDHM Cc1cc(Br)ccc1NN=Cc1c([O-])c(C)ncc1CO ZINC000728432803 722451644 /nfs/dbraw/zinc/45/16/44/722451644.db2.gz BXTLAAHXJWUYGX-UHFFFAOYSA-N -1 3 350.216 3.105 20 30 FGEDHM O=C1Nc2cc([O-])ccc2C1=NNc1ccc(Br)cc1F ZINC000728432174 722451672 /nfs/dbraw/zinc/45/16/72/722451672.db2.gz KGQFCBNTOMOASK-UHFFFAOYSA-N -1 3 350.147 3.062 20 30 FGEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cc2c(s1)CCOC2 ZINC000728767174 722454302 /nfs/dbraw/zinc/45/43/02/722454302.db2.gz WWBAYIXFFCSCNK-LLVKDONJSA-N -1 3 360.822 3.435 20 30 FGEDHM Cc1ncc(CO)c(/C=N\C[C@@H](O)c2ccc(Cl)cc2Cl)c1[O-] ZINC000731936936 722479584 /nfs/dbraw/zinc/47/95/84/722479584.db2.gz CLNFQLAATVQHDT-OZWQAGBOSA-N -1 3 355.221 3.047 20 30 FGEDHM Cc1ncc(CO)c(/C=N/[C@H]2COc3c2ccc(Cl)c3Cl)c1[O-] ZINC000743043733 722563387 /nfs/dbraw/zinc/56/33/87/722563387.db2.gz YZFQXUZLDWZKGC-LDIDAVDUSA-N -1 3 353.205 3.447 20 30 FGEDHM O=C1[C@@H](/N=C\c2cc(Br)ccc2[O-])CCN1Cc1ccccc1 ZINC000743538579 722568594 /nfs/dbraw/zinc/56/85/94/722568594.db2.gz NEVKSKCWUBFTRY-VBNMEBLOSA-N -1 3 373.250 3.375 20 30 FGEDHM Cc1ncc(CO)c(/C=N\Cc2cc(Cl)ccc2OC(F)F)c1[O-] ZINC000745976832 722592021 /nfs/dbraw/zinc/59/20/21/722592021.db2.gz NGULVNYMEADGJH-SCDVKCJHSA-N -1 3 356.756 3.462 20 30 FGEDHM Brc1cccc2[nH]cc(C=N[N-]c3[nH+]cnc4[n-]cnc43)c21 ZINC000754706957 722944719 /nfs/dbraw/zinc/94/47/19/722944719.db2.gz WKUMXDPCEXXKMS-UHFFFAOYSA-N -1 3 356.187 3.043 20 30 FGEDHM C=CCCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000790453767 723142162 /nfs/dbraw/zinc/14/21/62/723142162.db2.gz WHZRWPUJNNBYFU-UHFFFAOYSA-N -1 3 352.239 3.025 20 30 FGEDHM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000795316342 723581504 /nfs/dbraw/zinc/58/15/04/723581504.db2.gz LUHLSIFMPVTTFY-UONOGXRCSA-N -1 3 354.497 3.249 20 30 FGEDHM COc1ccc(NN=C2C(=O)[N-]c3c2cc([N+](=O)[O-])cc3F)cc1Cl ZINC000774410179 723890163 /nfs/dbraw/zinc/89/01/63/723890163.db2.gz PQUPRWRZMZJGIE-UHFFFAOYSA-N -1 3 364.720 3.164 20 30 FGEDHM C#CCCCc1nc(-c2n[n-]c(-c3cccc(Br)c3)n2)no1 ZINC000809498552 725244924 /nfs/dbraw/zinc/24/49/24/725244924.db2.gz NACLNGSJUCRNRP-UHFFFAOYSA-N -1 3 358.199 3.240 20 30 FGEDHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(Cl)s1 ZINC000819866245 728948596 /nfs/dbraw/zinc/94/85/96/728948596.db2.gz LKVKMSORJMMPSF-QMMMGPOBSA-N -1 3 358.814 3.195 20 30 FGEDHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(Cl)s1 ZINC000819866245 728948599 /nfs/dbraw/zinc/94/85/99/728948599.db2.gz LKVKMSORJMMPSF-QMMMGPOBSA-N -1 3 358.814 3.195 20 30 FGEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1cccnc1Cl ZINC000814741690 726996575 /nfs/dbraw/zinc/99/65/75/726996575.db2.gz KYAWWBIWGGPJIC-CYBMUJFWSA-N -1 3 373.825 3.010 20 30 FGEDHM CC(C)c1ccc2c(Cl)c(C(=O)N[C@@H]3CCN([O-])C3=O)sc2c1 ZINC000820157458 728970945 /nfs/dbraw/zinc/97/09/45/728970945.db2.gz XMKNMBUZFYGXCP-LLVKDONJSA-N -1 3 352.843 3.398 20 30 FGEDHM Cn1ccnc1[C@@H]1C[C@@H](/N=C/c2cc(Br)ccc2[O-])CCO1 ZINC000840709306 730164741 /nfs/dbraw/zinc/16/47/41/730164741.db2.gz ILAJBGKICCDKMG-DCSASFQGSA-N -1 3 364.243 3.227 20 30 FGEDHM CSc1nnc(C(C)(C)C)c(=O)n1N=Cc1c([O-])cc(C)cc1Cl ZINC000841620641 730260355 /nfs/dbraw/zinc/26/03/55/730260355.db2.gz VIBUMNVGIXFCRK-UHFFFAOYSA-N -1 3 366.874 3.207 20 30 FGEDHM CCOC(=O)C1(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)CCCC1 ZINC000842803008 730545322 /nfs/dbraw/zinc/54/53/22/730545322.db2.gz LJQDWENTKDREAW-LBPRGKRZSA-N -1 3 354.328 3.400 20 30 FGEDHM C=C(C)CO[N-]C(=O)CCC(=O)c1cc(Br)ccc1OC ZINC000846541138 730962191 /nfs/dbraw/zinc/96/21/91/730962191.db2.gz PCEGLBDHDIZJME-UHFFFAOYSA-N -1 3 356.216 3.045 20 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CCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@H](C)c1ccc(C#N)cc1 ZINC000068632566 493847973 /nfs/dbraw/zinc/84/79/73/493847973.db2.gz ZGGFXTCOXNIHGV-GFCCVEGCSA-N -1 3 362.389 3.057 20 30 FGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(CNC(=O)C(C)(C)C)cc2)nc(C)n1 ZINC000076822734 493975343 /nfs/dbraw/zinc/97/53/43/493975343.db2.gz UVVNUGHJAUXOIZ-QGZVFWFLSA-N -1 3 364.449 3.246 20 30 FGEDHM N#CC(=C([O-])c1cccc(NC(N)=O)c1)c1nc2ccccc2n1C(F)F ZINC000051655562 493981232 /nfs/dbraw/zinc/98/12/32/493981232.db2.gz BCDALJKZJALDKA-LBPRGKRZSA-N -1 3 369.331 3.412 20 30 FGEDHM C=CCN(CC1CCCCC1)C(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000069788292 494012450 /nfs/dbraw/zinc/01/24/50/494012450.db2.gz INHVMOHGGXCXDB-UHFFFAOYSA-N -1 3 368.474 3.406 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)cc1 ZINC000036752572 494097850 /nfs/dbraw/zinc/09/78/50/494097850.db2.gz CUVJYESVJJNQTL-UHFFFAOYSA-N -1 3 355.188 3.261 20 30 FGEDHM O=C(CSc1ccc2c(c1)OCCO2)Nc1nnc(-c2ccccn2)[n-]1 ZINC000053524191 494141963 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Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(OCC(C)C)c1 ZINC000055468055 494349959 /nfs/dbraw/zinc/34/99/59/494349959.db2.gz KNUBPRVEGZSIBG-UHFFFAOYSA-N -1 3 367.449 3.470 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccc(F)cc1)C1CC1 ZINC000079002698 494390362 /nfs/dbraw/zinc/39/03/62/494390362.db2.gz QPVPDPALRNFNGC-UHFFFAOYSA-N -1 3 367.424 3.126 20 30 FGEDHM CCOc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)c1 ZINC000055805582 494408604 /nfs/dbraw/zinc/40/86/04/494408604.db2.gz QZHPINIWCMHCIA-UHFFFAOYSA-N -1 3 353.422 3.142 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1cccc(F)c1 ZINC000055863288 494417396 /nfs/dbraw/zinc/41/73/96/494417396.db2.gz RAHNIMKOGQLSKO-LJQANCHMSA-N -1 3 367.424 3.299 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccc(C(C)C)cc1 ZINC000018011140 494421387 /nfs/dbraw/zinc/42/13/87/494421387.db2.gz GCRSUWNOKSVPQA-UHFFFAOYSA-N -1 3 365.477 3.278 20 30 FGEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000577449779 505729817 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C=CC[C@H](C)NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000116854605 494862260 /nfs/dbraw/zinc/86/22/60/494862260.db2.gz SFNIZQBRXFQEPD-ZDUSSCGKSA-N -1 3 362.426 3.321 20 30 FGEDHM Cc1cc(Cl)cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1O ZINC000116979271 494878790 /nfs/dbraw/zinc/87/87/90/494878790.db2.gz YWXSZOUMBRFITM-UHFFFAOYSA-N -1 3 359.813 3.102 20 30 FGEDHM COc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nc2c(cc1C#N)CCCC2 ZINC000121927828 494891885 /nfs/dbraw/zinc/89/18/85/494891885.db2.gz PWUQLXKXISZGET-UHFFFAOYSA-N -1 3 352.350 3.001 20 30 FGEDHM Cc1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c([O-])c1 ZINC000134089969 495104769 /nfs/dbraw/zinc/10/47/69/495104769.db2.gz NYDUSZDZASCXQU-UHFFFAOYSA-N -1 3 358.419 3.030 20 30 FGEDHM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000123704710 495173726 /nfs/dbraw/zinc/17/37/26/495173726.db2.gz PBIRUPCUGWGFSF-UHFFFAOYSA-N -1 3 364.810 3.108 20 30 FGEDHM Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccccc2C#N)c2ccccn2)c1 ZINC000129859576 495306836 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FGEDHM Cc1ccc(CN(C)C)cc1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000187133071 496307230 /nfs/dbraw/zinc/30/72/30/496307230.db2.gz WXIPMPORSAJPFO-UHFFFAOYSA-N -1 3 363.870 3.383 20 30 FGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]Cc1cccc2cccnc21 ZINC000178527229 496488359 /nfs/dbraw/zinc/48/83/59/496488359.db2.gz HOMZBTQZMKYJFQ-UHFFFAOYSA-N -1 3 357.822 3.238 20 30 FGEDHM CCCNc1ccc(C#N)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000173040151 496529284 /nfs/dbraw/zinc/52/92/84/496529284.db2.gz HDTRVFDWNFFIDM-UHFFFAOYSA-N -1 3 364.365 3.417 20 30 FGEDHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C2CC2)s1 ZINC000184930329 496589734 /nfs/dbraw/zinc/58/97/34/496589734.db2.gz NDKLRWWLKLRMCQ-AWEZNQCLSA-N -1 3 367.883 3.406 20 30 FGEDHM N#C[C@@]1([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCc2ccccc2C1 ZINC000185148029 496680864 /nfs/dbraw/zinc/68/08/64/496680864.db2.gz IKUKVOYVFDOSES-QGZVFWFLSA-N -1 3 364.829 3.209 20 30 FGEDHM C=C[C@](C)(CCOC)C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000188279735 496738679 /nfs/dbraw/zinc/73/86/79/496738679.db2.gz AEPZRIPCZYCJTP-HXUWFJFHSA-N -1 3 355.438 3.167 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)c1ccc(OC(C)C)cc1 ZINC000191607917 496830291 /nfs/dbraw/zinc/83/02/91/496830291.db2.gz WTKPXZRDMOTWNP-UHFFFAOYSA-N -1 3 367.449 3.246 20 30 FGEDHM Cc1ncc(CO)c(/C=N/c2ccc(OCC3CCOCC3)cc2)c1[O-] ZINC000265527351 497132938 /nfs/dbraw/zinc/13/29/38/497132938.db2.gz QCRNCFNPILSRLB-SSDVNMTOSA-N -1 3 356.422 3.144 20 30 FGEDHM CN1CCC[C@@H](CNC(=O)c2ccc(C#N)c([O-])c2)[C@H]1c1cccs1 ZINC000249077448 497160146 /nfs/dbraw/zinc/16/01/46/497160146.db2.gz KYUSIADBDTWNJV-YJBOKZPZSA-N -1 3 355.463 3.138 20 30 FGEDHM C[C@@H]1CCC[C@](C#N)([N-]S(=O)(=O)Cc2ccccc2Br)C1 ZINC000581035149 505895147 /nfs/dbraw/zinc/89/51/47/505895147.db2.gz WYAOTJKEGQCAKY-DOMZBBRYSA-N -1 3 371.300 3.341 20 30 FGEDHM C[C@H](N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cc(Cl)ccc1[O-] ZINC000190608663 497544046 /nfs/dbraw/zinc/54/40/46/497544046.db2.gz PCALUJFSKHOJMX-SCLBCKFNSA-N -1 3 369.852 3.369 20 30 FGEDHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2)cc1OCCCC#N ZINC000262697010 497602260 /nfs/dbraw/zinc/60/22/60/497602260.db2.gz IPLKRVPOTNBIHF-LJQANCHMSA-N -1 3 354.406 3.293 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CCC2(CCCCC2)O1 ZINC000276729966 497638728 /nfs/dbraw/zinc/63/87/28/497638728.db2.gz MQPXDYWBZDDHPA-MRXNPFEDSA-N -1 3 371.481 3.206 20 30 FGEDHM N#Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2C(F)(F)F)ccc1F ZINC000331139503 498259688 /nfs/dbraw/zinc/25/96/88/498259688.db2.gz DTKATSCGGBUWBL-GWCFXTLKSA-N -1 3 364.364 3.344 20 30 FGEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000302383636 498474608 /nfs/dbraw/zinc/47/46/08/498474608.db2.gz DZEVMPRMFGNXQV-QMMMGPOBSA-N -1 3 351.653 3.073 20 30 FGEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000331888850 498487828 /nfs/dbraw/zinc/48/78/28/498487828.db2.gz AHKJIQWXFWQNLX-GFCCVEGCSA-N -1 3 363.664 3.073 20 30 FGEDHM Cc1cc(NC(=O)Nc2ccc([O-])c(COC(C)C)c2)nn1CCC#N ZINC000290368836 498525469 /nfs/dbraw/zinc/52/54/69/498525469.db2.gz LWCOEEZFUROBLX-UHFFFAOYSA-N -1 3 357.414 3.380 20 30 FGEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000332038105 498540498 /nfs/dbraw/zinc/54/04/98/498540498.db2.gz YXZZRLABKYJXGC-GFCCVEGCSA-N -1 3 363.664 3.073 20 30 FGEDHM N#C[C@H](NC(=O)c1cc(=O)[n-]c(C2CC2)n1)c1ccc(Cl)c(Cl)c1 ZINC000569940105 506052738 /nfs/dbraw/zinc/05/27/38/506052738.db2.gz WOCWTRIRGZQGRZ-ZDUSSCGKSA-N -1 3 363.204 3.361 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1Cc2ccccc2O[C@@H](C)C1 ZINC000294353095 498667006 /nfs/dbraw/zinc/66/70/06/498667006.db2.gz UODWOGXOCIULPZ-ZDUSSCGKSA-N -1 3 365.433 3.018 20 30 FGEDHM COc1ccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c([O-])c1 ZINC000582053959 506123398 /nfs/dbraw/zinc/12/33/98/506123398.db2.gz XTKHUPNYJKWVAN-UHFFFAOYSA-N -1 3 369.396 3.267 20 30 FGEDHM C[N-]S(=O)(=O)c1cc(NC(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)ccc1F ZINC000329242450 499082354 /nfs/dbraw/zinc/08/23/54/499082354.db2.gz OIHUFODXWTUJMW-YNEHKIRRSA-N -1 3 369.462 3.029 20 30 FGEDHM N#Cc1csc(C(=O)[N-]c2n[nH]c(-c3cccc(OC(F)F)c3)n2)c1 ZINC000364114191 499117436 /nfs/dbraw/zinc/11/74/36/499117436.db2.gz IGEKCYIIFSXTDU-UHFFFAOYSA-N -1 3 361.333 3.259 20 30 FGEDHM C[C@H]([N-]S(=O)(=O)c1cccnc1)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000370568967 499232296 /nfs/dbraw/zinc/23/22/96/499232296.db2.gz LVYHGTQGFDPBKF-LBPRGKRZSA-N -1 3 370.459 3.116 20 30 FGEDHM N#Cc1ccc([N-]S(=O)(=O)CCc2ccccc2)cc1Br ZINC000385126766 499547976 /nfs/dbraw/zinc/54/79/76/499547976.db2.gz XJGOMGBGWFJQDZ-UHFFFAOYSA-N -1 3 365.252 3.305 20 30 FGEDHM COC(=O)c1cccc(CSCc2cc(=O)[n-]c(C3CC3)n2)c1C#N ZINC000582171638 506150175 /nfs/dbraw/zinc/15/01/75/506150175.db2.gz AAJQHCUYYCXTAN-UHFFFAOYSA-N -1 3 355.419 3.151 20 30 FGEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C(F)(F)F ZINC000410332976 499655453 /nfs/dbraw/zinc/65/54/53/499655453.db2.gz OBDNWNKCMDOOBW-JTQLQIEISA-N -1 3 360.279 3.196 20 30 FGEDHM COC(=O)c1cnc(C(=O)[N-]c2sc3c(c2C#N)C[C@@H](C)C[C@H]3C)cn1 ZINC000410992039 499688886 /nfs/dbraw/zinc/68/88/86/499688886.db2.gz WEYACIZAZLMHHS-VHSXEESVSA-N -1 3 370.434 3.134 20 30 FGEDHM Cc1cc(S(=O)(=O)[N-][C@H](C#N)C(C)(C)C)c(F)cc1Br ZINC000414438569 499792289 /nfs/dbraw/zinc/79/22/89/499792289.db2.gz DPZNKWHCLUCCFN-GFCCVEGCSA-N -1 3 363.252 3.113 20 30 FGEDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 ZINC000415349314 499888209 /nfs/dbraw/zinc/88/82/09/499888209.db2.gz CRZBGBGVVHUEBK-UONOGXRCSA-N -1 3 353.378 3.028 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)[C@H](C)c1cccc(C#N)c1 ZINC000425123584 500025376 /nfs/dbraw/zinc/02/53/76/500025376.db2.gz DMFZGZNVIRUYBQ-OAHLLOKOSA-N -1 3 362.433 3.300 20 30 FGEDHM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OCCC2CC2)CCC1 ZINC000416665782 500080952 /nfs/dbraw/zinc/08/09/52/500080952.db2.gz DGHAAWIWDQKUNI-UHFFFAOYSA-N -1 3 368.886 3.491 20 30 FGEDHM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(C2CC2)cc1 ZINC000416671753 500082411 /nfs/dbraw/zinc/08/24/11/500082411.db2.gz WYYHWWCGWLFFAX-LBPRGKRZSA-N -1 3 371.418 3.383 20 30 FGEDHM N#Cc1ccc(CN[C@@H](CSCCOc2ccccc2)C(=O)[O-])c(F)c1 ZINC000417559248 500108960 /nfs/dbraw/zinc/10/89/60/500108960.db2.gz HRRQAZULZJRYJJ-SFHVURJKSA-N -1 3 374.437 3.052 20 30 FGEDHM CCc1cc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)ccc1[O-] ZINC000582336331 506189937 /nfs/dbraw/zinc/18/99/37/506189937.db2.gz WFZHDMCOOWNQLC-UHFFFAOYSA-N -1 3 365.433 3.341 20 30 FGEDHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427790583 500433213 /nfs/dbraw/zinc/43/32/13/500433213.db2.gz UCZYWFRYFCLVHA-UHFFFAOYSA-N -1 3 373.453 3.402 20 30 FGEDHM C=C[C@@H]1CCCCN1C(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000428031720 500460399 /nfs/dbraw/zinc/46/03/99/500460399.db2.gz HRAFNFKQZYHKCO-CQSZACIVSA-N -1 3 355.394 3.122 20 30 FGEDHM C[C@@H](Cc1ccc(Cl)cc1Cl)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428239819 500485159 /nfs/dbraw/zinc/48/51/59/500485159.db2.gz HUKUUCQQSNIGOU-JTQLQIEISA-N -1 3 370.261 3.170 20 30 FGEDHM N#Cc1ncccc1S(=O)(=O)[N-]CC1(Sc2ccccc2)CCCC1 ZINC000428241770 500485968 /nfs/dbraw/zinc/48/59/68/500485968.db2.gz UKZDOEWEVNVPBQ-UHFFFAOYSA-N -1 3 373.503 3.337 20 30 FGEDHM N#Cc1ncccc1S(=O)(=O)[N-]Cc1cccc(Oc2ccccc2)c1 ZINC000428253928 500487220 /nfs/dbraw/zinc/48/72/20/500487220.db2.gz AIAVRQRYPMAFMR-UHFFFAOYSA-N -1 3 365.414 3.224 20 30 FGEDHM N#Cc1ncccc1S(=O)(=O)[N-]CC1CCC(c2ccccc2)CC1 ZINC000428268910 500489235 /nfs/dbraw/zinc/48/92/35/500489235.db2.gz GXXCLKGAWWUTQJ-UHFFFAOYSA-N -1 3 355.463 3.206 20 30 FGEDHM C=CCSCC[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000576617610 506199734 /nfs/dbraw/zinc/19/97/34/506199734.db2.gz MAPJRMYBRWYTHX-UHFFFAOYSA-N -1 3 370.721 3.300 20 30 FGEDHM C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000576622884 506200530 /nfs/dbraw/zinc/20/05/30/506200530.db2.gz UXWGMJUIFLXMKK-BEFAXECRSA-N -1 3 368.437 3.260 20 30 FGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCCOc2ccccc21 ZINC000443050118 500668854 /nfs/dbraw/zinc/66/88/54/500668854.db2.gz OKRRRBYWTGBHQE-HNNXBMFYSA-N -1 3 362.838 3.404 20 30 FGEDHM C[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000447834730 500674176 /nfs/dbraw/zinc/67/41/76/500674176.db2.gz XNMCZHDYEUJAQG-LBPRGKRZSA-N -1 3 351.428 3.104 20 30 FGEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@H](C#N)CCc2ccccc2)c1 ZINC000433363241 500681060 /nfs/dbraw/zinc/68/10/60/500681060.db2.gz LFHSNJFVJCLDFT-INIZCTEOSA-N -1 3 371.462 3.078 20 30 FGEDHM Cc1ccc([C@@H]2OCCC[C@H]2[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1 ZINC000443335127 500711427 /nfs/dbraw/zinc/71/14/27/500711427.db2.gz NKBNPUZMDHHYOX-MJGOQNOKSA-N -1 3 374.437 3.204 20 30 FGEDHM Cc1ccc(OCCCC[N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435428291 500973579 /nfs/dbraw/zinc/97/35/79/500973579.db2.gz RKDWFTSRFDMDDV-UHFFFAOYSA-N -1 3 350.465 3.066 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2cccc(Cl)c2Cl)s1 ZINC000435430763 500973797 /nfs/dbraw/zinc/97/37/97/500973797.db2.gz FMDYTXLORIBGKM-UHFFFAOYSA-N -1 3 361.275 3.448 20 30 FGEDHM CC(C)COc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435438989 500977609 /nfs/dbraw/zinc/97/76/09/500977609.db2.gz SHAHXOPIVCBXTR-UHFFFAOYSA-N -1 3 364.492 3.176 20 30 FGEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000435600944 500999904 /nfs/dbraw/zinc/99/99/04/500999904.db2.gz HNYXAVIKUYJTIG-QMTHXVAHSA-N -1 3 350.267 3.253 20 30 FGEDHM CC(C)(C#N)C[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000611619075 506229213 /nfs/dbraw/zinc/22/92/13/506229213.db2.gz TWMXJYDFKGGXFZ-UHFFFAOYSA-N -1 3 355.872 3.292 20 30 FGEDHM CC(C)c1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c([O-])c1 ZINC000436548749 501154065 /nfs/dbraw/zinc/15/40/65/501154065.db2.gz UTVMLCQKUNHEIN-IBGZPJMESA-N -1 3 363.461 3.366 20 30 FGEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2cc(C)cc(OC)c2[O-])cc1 ZINC000436757060 501206132 /nfs/dbraw/zinc/20/61/32/501206132.db2.gz SXFJXRJUEYXMCG-UHFFFAOYSA-N -1 3 355.394 3.269 20 30 FGEDHM CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451401817 501283833 /nfs/dbraw/zinc/28/38/33/501283833.db2.gz UTWUKIJRNVJONJ-SNVBAGLBSA-N -1 3 354.781 3.415 20 30 FGEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC ZINC000451814215 501377907 /nfs/dbraw/zinc/37/79/07/501377907.db2.gz SOQSNQARUJVCET-UHFFFAOYSA-N -1 3 353.465 3.178 20 30 FGEDHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nnc(-c2cc3ccccc3o2)[n-]1 ZINC000485144134 501737220 /nfs/dbraw/zinc/73/72/20/501737220.db2.gz SSTAMTTYJKYZON-GFCCVEGCSA-N -1 3 373.372 3.496 20 30 FGEDHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1nc(-c2cc3ccccc3o2)n[n-]1 ZINC000485144134 501737225 /nfs/dbraw/zinc/73/72/25/501737225.db2.gz SSTAMTTYJKYZON-GFCCVEGCSA-N -1 3 373.372 3.496 20 30 FGEDHM C[C@@H](Oc1ccccc1C#N)C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC000485144134 501737233 /nfs/dbraw/zinc/73/72/33/501737233.db2.gz SSTAMTTYJKYZON-GFCCVEGCSA-N -1 3 373.372 3.496 20 30 FGEDHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(CC#N)cc2)[n-]1 ZINC000485664416 501892641 /nfs/dbraw/zinc/89/26/41/501892641.db2.gz JATOOTIPTRFKEY-UHFFFAOYSA-N -1 3 354.410 3.247 20 30 FGEDHM CCCCc1nc(NC(=O)c2ccc(CC#N)cc2)c(C(=O)OCC)[n-]1 ZINC000485664416 501892646 /nfs/dbraw/zinc/89/26/46/501892646.db2.gz JATOOTIPTRFKEY-UHFFFAOYSA-N -1 3 354.410 3.247 20 30 FGEDHM Cc1cc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)ccc1-n1cncn1 ZINC000464470359 501998967 /nfs/dbraw/zinc/99/89/67/501998967.db2.gz VMUDLCFVYFVWET-CQSZACIVSA-N -1 3 371.322 3.480 20 30 FGEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000471412494 502018141 /nfs/dbraw/zinc/01/81/41/502018141.db2.gz RKMFDZFBDLPIQR-UHFFFAOYSA-N -1 3 364.854 3.052 20 30 FGEDHM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)cc2)c1C ZINC000461223916 502044719 /nfs/dbraw/zinc/04/47/19/502044719.db2.gz DLZQNPYSAKDDCD-UHFFFAOYSA-N -1 3 366.446 3.470 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CC3CCC2CC3)c(C(F)(F)F)c1 ZINC000486660176 502223355 /nfs/dbraw/zinc/22/33/55/502223355.db2.gz SSQDEIMEPRPMOL-MMWSSPAHSA-N -1 3 358.385 3.434 20 30 FGEDHM C[C@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1nc(C(F)(F)F)cs1 ZINC000486841909 502280587 /nfs/dbraw/zinc/28/05/87/502280587.db2.gz PJBSDYBUAJDWAE-QMMMGPOBSA-N -1 3 361.370 3.073 20 30 FGEDHM N#CCCCC(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000462067597 502292690 /nfs/dbraw/zinc/29/26/90/502292690.db2.gz MONSTUZHGZTHMC-UHFFFAOYSA-N -1 3 352.167 3.006 20 30 FGEDHM N#CC(=C([O-])c1ccc(Cn2cccn2)cc1)c1cnc2ccccc2n1 ZINC000483208877 502314182 /nfs/dbraw/zinc/31/41/82/502314182.db2.gz ALBMUSQCSPCLON-QGZVFWFLSA-N -1 3 353.385 3.365 20 30 FGEDHM CC(C)O[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C1(C)C ZINC000476229795 502421541 /nfs/dbraw/zinc/42/15/41/502421541.db2.gz ZWOHSGLLECGWMK-HUUCEWRRSA-N -1 3 356.875 3.082 20 30 FGEDHM COC[C@H]([N-]S(=O)(=O)c1cccc(C)c1C#N)c1ccc(Cl)cc1 ZINC000487392771 502432329 /nfs/dbraw/zinc/43/23/29/502432329.db2.gz BFWFJQXNKPNTGK-INIZCTEOSA-N -1 3 364.854 3.186 20 30 FGEDHM C[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)Cc1cccs1 ZINC000476342139 502463842 /nfs/dbraw/zinc/46/38/42/502463842.db2.gz XTRGDVLEOJAHSZ-NSHDSACASA-N -1 3 354.884 3.430 20 30 FGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2[C@H]3CCc4ccccc4[C@@H]23)c1 ZINC000476416106 502484279 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/nfs/dbraw/zinc/12/16/62/599121662.db2.gz JBHLAYJMZOGLLM-UHFFFAOYSA-N -1 3 355.405 3.231 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccccc2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737201651 599157547 /nfs/dbraw/zinc/15/75/47/599157547.db2.gz FVDVUPPSOGUNBN-GHXNOFRVSA-N -1 3 356.389 3.257 20 30 FGEDHM O=C(/C=C/c1ccc(-c2nn[n-]n2)cc1)c1c(Cl)nc2sccn21 ZINC000737797010 599158688 /nfs/dbraw/zinc/15/86/88/599158688.db2.gz PUEKRGHLGMTHPD-ZZXKWVIFSA-N -1 3 356.798 3.125 20 30 FGEDHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1cccc(Cl)c1 ZINC000735550443 599197271 /nfs/dbraw/zinc/19/72/71/599197271.db2.gz IEPUSJBCNJRLNV-JTQLQIEISA-N -1 3 352.785 3.134 20 30 FGEDHM C[C@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1cccc(Cl)c1 ZINC000735550443 599197273 /nfs/dbraw/zinc/19/72/73/599197273.db2.gz IEPUSJBCNJRLNV-JTQLQIEISA-N -1 3 352.785 3.134 20 30 FGEDHM C=CCCCOC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735412417 599277534 /nfs/dbraw/zinc/27/75/34/599277534.db2.gz AALKSCONLBLYHH-UHFFFAOYSA-N -1 3 354.366 3.162 20 30 FGEDHM C=CCCCOC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735412417 599277535 /nfs/dbraw/zinc/27/75/35/599277535.db2.gz AALKSCONLBLYHH-UHFFFAOYSA-N -1 3 354.366 3.162 20 30 FGEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1OC ZINC000737080590 598417451 /nfs/dbraw/zinc/41/74/51/598417451.db2.gz CWXFCKQGTVGNIT-VQHVLOKHSA-N -1 3 370.796 3.433 20 30 FGEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1OC ZINC000737080590 598417453 /nfs/dbraw/zinc/41/74/53/598417453.db2.gz CWXFCKQGTVGNIT-VQHVLOKHSA-N -1 3 370.796 3.433 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc2[nH]ccc2c1 ZINC000735420974 598461685 /nfs/dbraw/zinc/46/16/85/598461685.db2.gz WBFWKGNCYNZZAA-UHFFFAOYSA-N -1 3 358.405 3.176 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc2[nH]ccc2c1 ZINC000735420974 598461687 /nfs/dbraw/zinc/46/16/87/598461687.db2.gz WBFWKGNCYNZZAA-UHFFFAOYSA-N -1 3 358.405 3.176 20 30 FGEDHM COc1cc(C)c(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000737040865 598547022 /nfs/dbraw/zinc/54/70/22/598547022.db2.gz QPXICRQBSIKWSO-UHFFFAOYSA-N -1 3 352.398 3.028 20 30 FGEDHM N#Cc1nccnc1Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737731640 598557280 /nfs/dbraw/zinc/55/72/80/598557280.db2.gz VIOQBFWVTQJPLI-UHFFFAOYSA-N -1 3 356.349 3.064 20 30 FGEDHM N#Cc1nccnc1Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737731640 598557281 /nfs/dbraw/zinc/55/72/81/598557281.db2.gz VIOQBFWVTQJPLI-UHFFFAOYSA-N -1 3 356.349 3.064 20 30 FGEDHM C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735390849 598591736 /nfs/dbraw/zinc/59/17/36/598591736.db2.gz FODDMWLTNUEVNU-UHFFFAOYSA-N -1 3 369.384 3.288 20 30 FGEDHM C#Cc1cccc(N(Cc2ccco2)C(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735390849 598591737 /nfs/dbraw/zinc/59/17/37/598591737.db2.gz FODDMWLTNUEVNU-UHFFFAOYSA-N -1 3 369.384 3.288 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc3ncccc3c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201623 598639053 /nfs/dbraw/zinc/63/90/53/598639053.db2.gz FBWROQNAPCZFTN-VQHVLOKHSA-N -1 3 370.416 3.367 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc3ncccc3c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201623 598639055 /nfs/dbraw/zinc/63/90/55/598639055.db2.gz FBWROQNAPCZFTN-VQHVLOKHSA-N -1 3 370.416 3.367 20 30 FGEDHM C=CCN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000735416360 598649727 /nfs/dbraw/zinc/64/97/27/598649727.db2.gz HIGBKMCJKFMOPY-UHFFFAOYSA-N -1 3 351.435 3.178 20 30 FGEDHM C=CCN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000735416360 598649728 /nfs/dbraw/zinc/64/97/28/598649728.db2.gz HIGBKMCJKFMOPY-UHFFFAOYSA-N -1 3 351.435 3.178 20 30 FGEDHM C=CC1CCN(c2cc(C)c(-c3nnn[n-]3)c3nc4ccccc4n32)CC1 ZINC000735409604 598676358 /nfs/dbraw/zinc/67/63/58/598676358.db2.gz GQMHKYPPBHNSNN-UHFFFAOYSA-N -1 3 359.437 3.378 20 30 FGEDHM C=CC1CCN(c2cc(C)c(-c3nn[n-]n3)c3nc4ccccc4n32)CC1 ZINC000735409604 598676360 /nfs/dbraw/zinc/67/63/60/598676360.db2.gz GQMHKYPPBHNSNN-UHFFFAOYSA-N -1 3 359.437 3.378 20 30 FGEDHM CC(C)Oc1ccc(NCc2ccc(F)c(C#N)c2)cc1-c1nnn[n-]1 ZINC000820173946 607372152 /nfs/dbraw/zinc/37/21/52/607372152.db2.gz NSYIQYSGNQEIRR-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM CC(C)Oc1ccc(NCc2ccc(F)c(C#N)c2)cc1-c1nn[n-]n1 ZINC000820173946 607372154 /nfs/dbraw/zinc/37/21/54/607372154.db2.gz NSYIQYSGNQEIRR-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM CCCCCCCC(=O)OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821049709 599656938 /nfs/dbraw/zinc/65/69/38/599656938.db2.gz NCDPUBMEMOPQLF-UHFFFAOYSA-N -1 3 370.413 3.320 20 30 FGEDHM CCCCCCCC(=O)OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821049709 599656939 /nfs/dbraw/zinc/65/69/39/599656939.db2.gz NCDPUBMEMOPQLF-UHFFFAOYSA-N -1 3 370.413 3.320 20 30 FGEDHM CC(C)Oc1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1C#N ZINC000820161330 607396829 /nfs/dbraw/zinc/39/68/29/607396829.db2.gz VLHMZNPDUMMIBJ-YFHOEESVSA-N -1 3 374.404 3.177 20 30 FGEDHM CC(C)Oc1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1C#N ZINC000820161330 607396830 /nfs/dbraw/zinc/39/68/30/607396830.db2.gz VLHMZNPDUMMIBJ-YFHOEESVSA-N -1 3 374.404 3.177 20 30 FGEDHM CC(C)[C@@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000736360556 599884444 /nfs/dbraw/zinc/88/44/44/599884444.db2.gz PZTIQWGZBWMIGL-BXKDBHETSA-N -1 3 351.815 3.418 20 30 FGEDHM O=C([O-])C[NH+]1CCN(c2ccc(N=Cc3cc(Cl)ccc3[O-])cc2)CC1 ZINC000739800893 600057526 /nfs/dbraw/zinc/05/75/26/600057526.db2.gz FQLIYROVTPCWSZ-UHFFFAOYSA-N -1 3 373.840 3.003 20 30 FGEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNc1cccc(C(F)(F)F)c1 ZINC000822741403 607461788 /nfs/dbraw/zinc/46/17/88/607461788.db2.gz WUYJGQFTBKFRJQ-UHFFFAOYSA-N -1 3 350.279 3.471 20 30 FGEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1cccc(C(F)(F)F)c1 ZINC000822741403 607461789 /nfs/dbraw/zinc/46/17/89/607461789.db2.gz WUYJGQFTBKFRJQ-UHFFFAOYSA-N -1 3 350.279 3.471 20 30 FGEDHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000826051855 601201241 /nfs/dbraw/zinc/20/12/41/601201241.db2.gz CYPAMHAWIPYBKE-XIKOKIGWSA-N -1 3 371.824 3.202 20 30 FGEDHM CC(C)c1nc([C@@H]2CCCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)C2)no1 ZINC000827144564 601312206 /nfs/dbraw/zinc/31/22/06/601312206.db2.gz OCZQURRKYRUOQR-HZPDHXFCSA-N -1 3 354.410 3.070 20 30 FGEDHM COc1ccc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826194908 607509100 /nfs/dbraw/zinc/50/91/00/607509100.db2.gz ZLWYKKPQRFQEEA-RTBURBONSA-N -1 3 374.448 3.147 20 30 FGEDHM COc1ccc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826194908 607509101 /nfs/dbraw/zinc/50/91/01/607509101.db2.gz ZLWYKKPQRFQEEA-RTBURBONSA-N -1 3 374.448 3.147 20 30 FGEDHM N#Cc1ccc(Oc2cccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)c2)cc1 ZINC000822832534 606269706 /nfs/dbraw/zinc/26/97/06/606269706.db2.gz CFHXWUZNFPNWIO-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#Cc1ccc(Oc2cccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)c2)cc1 ZINC000822832534 606269709 /nfs/dbraw/zinc/26/97/09/606269709.db2.gz CFHXWUZNFPNWIO-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM C#C[C@H](C)OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819688832 606396402 /nfs/dbraw/zinc/39/64/02/606396402.db2.gz NZHMCOSNMYSDME-LBPRGKRZSA-N -1 3 350.403 3.196 20 30 FGEDHM C#C[C@H](C)OC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819688832 606396403 /nfs/dbraw/zinc/39/64/03/606396403.db2.gz NZHMCOSNMYSDME-LBPRGKRZSA-N -1 3 350.403 3.196 20 30 FGEDHM CC(C)CN(C(=O)c1cc(C#N)cs1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081652 606491847 /nfs/dbraw/zinc/49/18/47/606491847.db2.gz PKXVPUXFZURKID-UHFFFAOYSA-N -1 3 352.423 3.103 20 30 FGEDHM CC(C)CN(C(=O)c1cc(C#N)cs1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081652 606491849 /nfs/dbraw/zinc/49/18/49/606491849.db2.gz PKXVPUXFZURKID-UHFFFAOYSA-N -1 3 352.423 3.103 20 30 FGEDHM O=C(C=Cc1cnc(-c2ccncc2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822935397 606600493 /nfs/dbraw/zinc/60/04/93/606600493.db2.gz JOXDBBCWIIXWGE-WAYWQWQTSA-N -1 3 360.402 3.281 20 30 FGEDHM O=C(C=Cc1cnc(-c2ccncc2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822935397 606600494 /nfs/dbraw/zinc/60/04/94/606600494.db2.gz JOXDBBCWIIXWGE-WAYWQWQTSA-N -1 3 360.402 3.281 20 30 FGEDHM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1cccc(-c2nnn[n-]2)c1 ZINC000822819546 606890999 /nfs/dbraw/zinc/89/09/99/606890999.db2.gz VHGUVDKXUIUDJW-UHFFFAOYSA-N -1 3 373.294 3.114 20 30 FGEDHM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1cccc(-c2nn[n-]n2)c1 ZINC000822819546 606891000 /nfs/dbraw/zinc/89/10/00/606891000.db2.gz VHGUVDKXUIUDJW-UHFFFAOYSA-N -1 3 373.294 3.114 20 30 FGEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3ccc(-c4nnn[n-]4)s3)cc21 ZINC000820577133 607023084 /nfs/dbraw/zinc/02/30/84/607023084.db2.gz LCJRZQMZTGAPPX-QPJJXVBHSA-N -1 3 365.418 3.054 20 30 FGEDHM c1[nH]c2ccc(-c3nn[n-]n3)cc2c1CN=Nc1ccc2ccccc2n1 ZINC000819718615 607144933 /nfs/dbraw/zinc/14/49/33/607144933.db2.gz LIJXFEFKXHWMLT-UHFFFAOYSA-N -1 3 354.377 3.342 20 30 FGEDHM N#Cc1ccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826385665 607844191 /nfs/dbraw/zinc/84/41/91/607844191.db2.gz WDFGARWPNDDKCY-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1ccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826385665 607844192 /nfs/dbraw/zinc/84/41/92/607844192.db2.gz WDFGARWPNDDKCY-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM c1ccc2c(c1)oc1c2ncnc1N=NCc1ccccc1-c1nnn[n-]1 ZINC000823868262 607885256 /nfs/dbraw/zinc/88/52/56/607885256.db2.gz SUGUMMHDUIROLL-UHFFFAOYSA-N -1 3 356.349 3.002 20 30 FGEDHM c1ccc2c(c1)oc1c2ncnc1N=NCc1ccccc1-c1nn[n-]n1 ZINC000823868262 607885257 /nfs/dbraw/zinc/88/52/57/607885257.db2.gz SUGUMMHDUIROLL-UHFFFAOYSA-N -1 3 356.349 3.002 20 30 FGEDHM CCSc1cccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000825673840 608158545 /nfs/dbraw/zinc/15/85/45/608158545.db2.gz DMCKIIQVGLPVIN-UHFFFAOYSA-N -1 3 350.407 3.103 20 30 FGEDHM CCSc1cccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000825673840 608158546 /nfs/dbraw/zinc/15/85/46/608158546.db2.gz DMCKIIQVGLPVIN-UHFFFAOYSA-N -1 3 350.407 3.103 20 30 FGEDHM N#Cc1c(Cl)cccc1SCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826383328 608207566 /nfs/dbraw/zinc/20/75/66/608207566.db2.gz VPYDDQHIQRYAOX-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1c(Cl)cccc1SCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826383328 608207567 /nfs/dbraw/zinc/20/75/67/608207567.db2.gz VPYDDQHIQRYAOX-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM C=C(CC)COC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000823877623 608318310 /nfs/dbraw/zinc/31/83/10/608318310.db2.gz BVXUCYPAVPSGIW-UHFFFAOYSA-N -1 3 354.366 3.162 20 30 FGEDHM C=C(CC)COC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000823877623 608318311 /nfs/dbraw/zinc/31/83/11/608318311.db2.gz BVXUCYPAVPSGIW-UHFFFAOYSA-N -1 3 354.366 3.162 20 30 FGEDHM N#Cc1cccc(CSCCOc2cccc(-c3nnn[n-]3)c2)c1F ZINC000826386900 608405636 /nfs/dbraw/zinc/40/56/36/608405636.db2.gz XSFCZMNCLZFGKZ-UHFFFAOYSA-N -1 3 355.398 3.190 20 30 FGEDHM N#Cc1cccc(CSCCOc2cccc(-c3nn[n-]n3)c2)c1F ZINC000826386900 608405637 /nfs/dbraw/zinc/40/56/37/608405637.db2.gz XSFCZMNCLZFGKZ-UHFFFAOYSA-N -1 3 355.398 3.190 20 30 FGEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1nc2ccccc2s1 ZINC000823958323 608538804 /nfs/dbraw/zinc/53/88/04/608538804.db2.gz JDKHKUKEFONMFU-UHFFFAOYSA-N -1 3 370.829 3.361 20 30 FGEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1nc2ccccc2s1 ZINC000823958323 608538806 /nfs/dbraw/zinc/53/88/06/608538806.db2.gz JDKHKUKEFONMFU-UHFFFAOYSA-N -1 3 370.829 3.361 20 30 FGEDHM C[C@H](OC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000824721531 608576442 /nfs/dbraw/zinc/57/64/42/608576442.db2.gz BBJDUKMTGGHKHL-JTQLQIEISA-N -1 3 353.769 3.310 20 30 FGEDHM C[C@H](OC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000824721531 608576444 /nfs/dbraw/zinc/57/64/44/608576444.db2.gz BBJDUKMTGGHKHL-JTQLQIEISA-N -1 3 353.769 3.310 20 30 FGEDHM C[C@@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824859493 608876223 /nfs/dbraw/zinc/87/62/23/608876223.db2.gz PLCOJDTWGAZMIZ-QMEHYBMDSA-N -1 3 354.316 3.234 20 30 FGEDHM Cn1cc(C=CC(=O)c2cccc(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359615 609307642 /nfs/dbraw/zinc/30/76/42/609307642.db2.gz MAZWPERLDAUPRZ-MDZDMXLPSA-N -1 3 374.379 3.302 20 30 FGEDHM Cn1cc(C=CC(=O)c2cccc(F)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359615 609307644 /nfs/dbraw/zinc/30/76/44/609307644.db2.gz MAZWPERLDAUPRZ-MDZDMXLPSA-N -1 3 374.379 3.302 20 30 FGEDHM N#Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1-c1nnn[n-]1 ZINC000826385214 609321179 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N#Cc1cc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)c[nH]1 ZINC000826383557 609457086 /nfs/dbraw/zinc/45/70/86/609457086.db2.gz GTIGZZJRSKCIDX-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM Cc1cc(N2CCC[C@](C)(C#N)C2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826269719 609601325 /nfs/dbraw/zinc/60/13/25/609601325.db2.gz UZRQPQONVSVPMK-HXUWFJFHSA-N -1 3 372.436 3.106 20 30 FGEDHM Cc1cc(N2CCC[C@](C)(C#N)C2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826269719 609601327 /nfs/dbraw/zinc/60/13/27/609601327.db2.gz UZRQPQONVSVPMK-HXUWFJFHSA-N -1 3 372.436 3.106 20 30 FGEDHM CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000079700460 700303735 /nfs/dbraw/zinc/30/37/35/700303735.db2.gz CXHFSBBIXRTPEZ-QMMMGPOBSA-N -1 3 363.340 3.201 20 30 FGEDHM CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000079700460 700303740 /nfs/dbraw/zinc/30/37/40/700303740.db2.gz CXHFSBBIXRTPEZ-QMMMGPOBSA-N -1 3 363.340 3.201 20 30 FGEDHM CC[C@H](/N=C/c1cc(Cl)ccc1[O-])c1cccc(S(N)(=O)=O)c1 ZINC000103716792 700489466 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CC[C@H](/N=C\c1cc(Cl)ccc1[O-])c1cccc(S(N)(=O)=O)c1 ZINC000729148725 722457568 /nfs/dbraw/zinc/45/75/68/722457568.db2.gz DHLMVVKZBOYDTN-HNIBHBHRSA-N -1 3 352.843 3.263 20 30 FGEDHM COc1ccc(CN2CC[C@H](/N=C\c3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000734366023 722506530 /nfs/dbraw/zinc/50/65/30/722506530.db2.gz BRSXWRKPGQOKPO-QREGZJMFSA-N -1 3 358.825 3.274 20 30 FGEDHM CCO[C@@H]1CC(=N[N-]S(=O)(=O)CCc2ccccc2)C12CCCCC2 ZINC000743448211 722567587 /nfs/dbraw/zinc/56/75/87/722567587.db2.gz FDXKPZHAXYKYNB-GOSISDBHSA-N -1 3 364.511 3.264 20 30 FGEDHM C#Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)c1 ZINC000747407595 722646405 /nfs/dbraw/zinc/64/64/05/722646405.db2.gz SLIGMQXRQVSNLP-UHFFFAOYSA-N -1 3 355.337 3.410 20 30 FGEDHM COC(=O)Nc1ccc(C(=O)OCC#Cc2ccc(Cl)cc2)cc1[O-] ZINC000750892180 722784925 /nfs/dbraw/zinc/78/49/25/722784925.db2.gz ZIJDUZMLFZTPQC-UHFFFAOYSA-N -1 3 359.765 3.432 20 30 FGEDHM C[C@@H]1CC(=Nn2c(=S)[n-]nc2SCc2ccccc2)CN1C1CC1 ZINC000753954535 722920093 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COc1ccc(NN=Cc2cc(Cl)c([O-])c(OC)c2)c([N+](=O)[O-])c1 ZINC000767803300 723634935 /nfs/dbraw/zinc/63/49/35/723634935.db2.gz KUQOSFZIZHCHQW-UHFFFAOYSA-N -1 3 351.746 3.417 20 30 FGEDHM COC(=O)N1CCC[C@H]([C@@H](C)/N=C\c2cc(Br)ccc2[O-])C1 ZINC000773906052 723837643 /nfs/dbraw/zinc/83/76/43/723837643.db2.gz NYGFRAXPPGXGMI-NQJKUUNDSA-N -1 3 369.259 3.441 20 30 FGEDHM COc1ccc(C(F)(F)C(=O)[N-]Cc2cc(F)c(C#N)c(F)c2)cc1 ZINC000774250813 723874845 /nfs/dbraw/zinc/87/48/45/723874845.db2.gz LRGMVEOIMCFIFT-UHFFFAOYSA-N -1 3 352.287 3.253 20 30 FGEDHM C#C[C@@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccc(Cl)cc1F ZINC000807688313 725165916 /nfs/dbraw/zinc/16/59/16/725165916.db2.gz ILZUDCKINGGCBA-MRXNPFEDSA-N -1 3 361.804 3.015 20 30 FGEDHM CC(=O)N1C[C@@H]2CCC[C@H](/N=C/c3cc(Br)ccc3[O-])[C@@H]2C1 ZINC000809144655 725231880 /nfs/dbraw/zinc/23/18/80/725231880.db2.gz QAWCNNHZTWVVRF-XIGNXLMWSA-N -1 3 365.271 3.221 20 30 FGEDHM N#Cc1ccccc1N1CCC(NC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000810269117 725300869 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O=C(C#Cc1cccs1)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000827311163 729428568 /nfs/dbraw/zinc/42/85/68/729428568.db2.gz WGQXJIRZDQTRJN-INIZCTEOSA-N -1 3 374.893 3.239 20 30 FGEDHM CCOC(=O)C1(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)CCCC1 ZINC000842803007 730545398 /nfs/dbraw/zinc/54/53/98/730545398.db2.gz LJQDWENTKDREAW-GFCCVEGCSA-N -1 3 354.328 3.400 20 30 FGEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cnn(-c2ccccc2Cl)c1 ZINC000844653235 730746767 /nfs/dbraw/zinc/74/67/67/730746767.db2.gz HUVULHBCOIMEHU-UHFFFAOYSA-N -1 3 352.847 3.207 20 30 FGEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccc(CSc2ccccc2)cc1 ZINC000848138124 731134355 /nfs/dbraw/zinc/13/43/55/731134355.db2.gz MVWQKMDSTKSBNL-KRWDZBQOSA-N -1 3 356.447 3.089 20 30 FGEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc2cc(C(F)(F)F)ccc2s1 ZINC000854648455 731848461 /nfs/dbraw/zinc/84/84/61/731848461.db2.gz DUSRDPFWWCNNDX-SNVBAGLBSA-N -1 3 358.341 3.030 20 30 FGEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCN(c3ccc(Cl)cc3F)C2)c1[O-] ZINC000864346308 733048673 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N#CC1(CS(=O)(=O)[N-][C@H](c2cccc(F)c2)c2ccccn2)CCCC1 ZINC000545362754 504460921 /nfs/dbraw/zinc/46/09/21/504460921.db2.gz YODRNEIGYAYBDI-GOSISDBHSA-N -1 3 373.453 3.313 20 30 FGEDHM Cc1ncc(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)c(=O)[n-]1 ZINC000542386288 504470626 /nfs/dbraw/zinc/47/06/26/504470626.db2.gz LBZPAMPGHNHJIE-UHFFFAOYSA-N -1 3 374.400 3.279 20 30 FGEDHM COc1cc2c(cc1F)[n-]cc(C(=O)N(CCC#N)CCC(C)C)c2=O ZINC000539446603 504574665 /nfs/dbraw/zinc/57/46/65/504574665.db2.gz KXWSBHKMMPFGAR-UHFFFAOYSA-N -1 3 359.401 3.078 20 30 FGEDHM CC(C)C[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCO1 ZINC000539635787 504635320 /nfs/dbraw/zinc/63/53/20/504635320.db2.gz KEPOXZVMYGBZOO-CHWSQXEVSA-N -1 3 356.875 3.084 20 30 FGEDHM Cc1ccccc1OCCCNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000521234196 504690266 /nfs/dbraw/zinc/69/02/66/504690266.db2.gz DFNXSBYYWQCSDV-UHFFFAOYSA-N -1 3 367.449 3.102 20 30 FGEDHM CCCN(C[C@@H]1CCCCO1)C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000521248555 504693658 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N#Cc1ccc(OC2CCC(NCc3c(F)ccc([O-])c3F)CC2)nc1 ZINC000552009610 505369253 /nfs/dbraw/zinc/36/92/53/505369253.db2.gz WQBZCBJSWBRDNH-UHFFFAOYSA-N -1 3 359.376 3.417 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc2ccccc2n1 ZINC000603638266 506585215 /nfs/dbraw/zinc/58/52/15/506585215.db2.gz GSBZVAKCIVUOKP-UHFFFAOYSA-N -1 3 360.417 3.073 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cc2c(s1)CCCC2 ZINC000603816494 506624537 /nfs/dbraw/zinc/62/45/37/506624537.db2.gz ATZUYFJYIIWRKY-UHFFFAOYSA-N -1 3 369.490 3.465 20 30 FGEDHM Cc1cccc([O-])c1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000599828770 506662528 /nfs/dbraw/zinc/66/25/28/506662528.db2.gz MVMVTONXRAFEAC-UHFFFAOYSA-N -1 3 355.825 3.188 20 30 FGEDHM N#Cc1sccc1S(=O)(=O)[N-]C1(c2ccc(F)cc2F)CCC1 ZINC000593569733 506687800 /nfs/dbraw/zinc/68/78/00/506687800.db2.gz OSLGHHIXAYCZFX-UHFFFAOYSA-N -1 3 354.403 3.256 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2Cc3ccccc32)c(C(F)(F)F)c1 ZINC000604041833 506697215 /nfs/dbraw/zinc/69/72/15/506697215.db2.gz DBHTVJCNJXHSGJ-CYBMUJFWSA-N -1 3 366.364 3.195 20 30 FGEDHM N#CC1(C[N-]S(=O)(=O)c2cc(Cl)ccc2OC(F)F)CCCC1 ZINC000593623435 506706129 /nfs/dbraw/zinc/70/61/29/506706129.db2.gz LKGYXMGQCZCIER-UHFFFAOYSA-N -1 3 364.801 3.304 20 30 FGEDHM N#Cc1ccc(Oc2ccc([N-]S(=O)(=O)C[C@H]3CCCCO3)cn2)cc1 ZINC000610123673 507106736 /nfs/dbraw/zinc/10/67/36/507106736.db2.gz IODKKVIUBHUFFP-QGZVFWFLSA-N -1 3 373.434 3.056 20 30 FGEDHM N#CCCCCC(=O)Nc1n[n-]c(-c2ccc(Br)cc2F)n1 ZINC000594421948 507126422 /nfs/dbraw/zinc/12/64/22/507126422.db2.gz WSHGXRHKFIWXAN-UHFFFAOYSA-N -1 3 366.194 3.396 20 30 FGEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000584085016 507141526 /nfs/dbraw/zinc/14/15/26/507141526.db2.gz PYLFSLSITNJWMQ-UHFFFAOYSA-N -1 3 355.246 3.386 20 30 FGEDHM N#CCCC1CCN(C(=O)Cc2ccc(Br)cc2[O-])CC1 ZINC000584115892 507161980 /nfs/dbraw/zinc/16/19/80/507161980.db2.gz YPDHBTSFWCMLFU-UHFFFAOYSA-N -1 3 351.244 3.240 20 30 FGEDHM Cc1c(Br)cccc1CS(=O)(=O)[N-][C@@H](C#N)C(C)(C)C ZINC000594579029 507194411 /nfs/dbraw/zinc/19/44/11/507194411.db2.gz XRVLIILTAQJNEW-ZDUSSCGKSA-N -1 3 359.289 3.115 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]CC1(C(F)F)CC1 ZINC000594771105 507275921 /nfs/dbraw/zinc/27/59/21/507275921.db2.gz AASBUGCQISWUAN-UHFFFAOYSA-N -1 3 356.419 3.405 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1CCC2(CC2(F)F)CC1 ZINC000598318263 507376341 /nfs/dbraw/zinc/37/63/41/507376341.db2.gz ZNZNCJJUZOMEMM-UHFFFAOYSA-N -1 3 363.408 3.293 20 30 FGEDHM Cc1ccccc1C(F)(F)CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000598393681 507405878 /nfs/dbraw/zinc/40/58/78/507405878.db2.gz JHXOIFHVJXDHEG-UHFFFAOYSA-N -1 3 373.403 3.425 20 30 FGEDHM CC(C)n1cc([C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cn1 ZINC000611017829 507484942 /nfs/dbraw/zinc/48/49/42/507484942.db2.gz LJQLCZGOGCCWNZ-LLVKDONJSA-N -1 3 352.847 3.029 20 30 FGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1ccc(F)c(Br)c1 ZINC000588115165 507764770 /nfs/dbraw/zinc/76/47/70/507764770.db2.gz PPHJLOSIIVVMRG-MRVPVSSYSA-N -1 3 373.203 3.092 20 30 FGEDHM C[C@H](C(=O)[N-]CC(F)(F)F)N1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 ZINC000618539597 568527216 /nfs/dbraw/zinc/52/72/16/568527216.db2.gz LUUGHUBUSCLTRL-CSMHCCOUSA-N -1 3 374.247 3.116 20 30 FGEDHM O=C(C=Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000737798055 598825212 /nfs/dbraw/zinc/82/52/12/598825212.db2.gz SZPRFNGXEMGUPY-DAXSKMNVSA-N -1 3 355.741 3.324 20 30 FGEDHM O=C(C=Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000737798055 598825213 /nfs/dbraw/zinc/82/52/13/598825213.db2.gz SZPRFNGXEMGUPY-DAXSKMNVSA-N -1 3 355.741 3.324 20 30 FGEDHM N#CCC[C@H](C#N)CNCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000737684169 598886908 /nfs/dbraw/zinc/88/69/08/598886908.db2.gz NNKXSYBWPXZMRN-CQSZACIVSA-N -1 3 363.450 3.128 20 30 FGEDHM N#CCC[C@H](C#N)CNCc1cccc(-c2ccc(-c3nn[n-]n3)s2)c1 ZINC000737684169 598886910 /nfs/dbraw/zinc/88/69/10/598886910.db2.gz NNKXSYBWPXZMRN-CQSZACIVSA-N -1 3 363.450 3.128 20 30 FGEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCc1ccc2ccccc2c1 ZINC000737703805 598900873 /nfs/dbraw/zinc/90/08/73/598900873.db2.gz BPEANYYHGYEKGU-UHFFFAOYSA-N -1 3 373.445 3.204 20 30 FGEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCc1ccc2ccccc2c1 ZINC000737703805 598900874 /nfs/dbraw/zinc/90/08/74/598900874.db2.gz BPEANYYHGYEKGU-UHFFFAOYSA-N -1 3 373.445 3.204 20 30 FGEDHM C[C@H]1CCc2sc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)cc2C1 ZINC000736278587 598915098 /nfs/dbraw/zinc/91/50/98/598915098.db2.gz HPNOZVXHJZJXHD-JTQLQIEISA-N -1 3 364.434 3.177 20 30 FGEDHM C[C@H]1CCc2sc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)cc2C1 ZINC000736278587 598915100 /nfs/dbraw/zinc/91/51/00/598915100.db2.gz HPNOZVXHJZJXHD-JTQLQIEISA-N -1 3 364.434 3.177 20 30 FGEDHM CSc1ccc(Cl)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737191690 598921046 /nfs/dbraw/zinc/92/10/46/598921046.db2.gz UBAWACVUKUAKKC-UHFFFAOYSA-N -1 3 370.825 3.366 20 30 FGEDHM CSc1ccc(Cl)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000737191690 598921047 /nfs/dbraw/zinc/92/10/47/598921047.db2.gz UBAWACVUKUAKKC-UHFFFAOYSA-N -1 3 370.825 3.366 20 30 FGEDHM O=C(C=Cc1nccn1Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000737805887 598926487 /nfs/dbraw/zinc/92/64/87/598926487.db2.gz FAZAQIYJAWEVFE-MDZDMXLPSA-N -1 3 356.389 3.008 20 30 FGEDHM O=C(C=Cc1nccn1Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000737805887 598926490 /nfs/dbraw/zinc/92/64/90/598926490.db2.gz FAZAQIYJAWEVFE-MDZDMXLPSA-N -1 3 356.389 3.008 20 30 FGEDHM CC(Cc1nc2ccccc2s1)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000820308721 607253590 /nfs/dbraw/zinc/25/35/90/607253590.db2.gz WTORTUFHYQBRKY-UHFFFAOYSA-N -1 3 363.450 3.185 20 30 FGEDHM CC(Cc1nc2ccccc2s1)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000820308721 607253591 /nfs/dbraw/zinc/25/35/91/607253591.db2.gz WTORTUFHYQBRKY-UHFFFAOYSA-N -1 3 363.450 3.185 20 30 FGEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cccc(OC2CCCC2)c1 ZINC000819718704 607253671 /nfs/dbraw/zinc/25/36/71/607253671.db2.gz NYKFBDQLLNTNIQ-UHFFFAOYSA-N -1 3 362.437 3.312 20 30 FGEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cccc(OC2CCCC2)c1 ZINC000819718704 607253672 /nfs/dbraw/zinc/25/36/72/607253672.db2.gz NYKFBDQLLNTNIQ-UHFFFAOYSA-N -1 3 362.437 3.312 20 30 FGEDHM CCOc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000736636443 599152147 /nfs/dbraw/zinc/15/21/47/599152147.db2.gz JDNKWQWQQSZMGK-ONNFQVAWSA-N -1 3 350.378 3.170 20 30 FGEDHM CCOc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000736636443 599152148 /nfs/dbraw/zinc/15/21/48/599152148.db2.gz JDNKWQWQQSZMGK-ONNFQVAWSA-N -1 3 350.378 3.170 20 30 FGEDHM COc1ccc(C=C2CCOc3ccc(F)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737081004 599154924 /nfs/dbraw/zinc/15/49/24/599154924.db2.gz ANQXJKOGHPZHAV-WQLSENKSSA-N -1 3 366.352 3.063 20 30 FGEDHM COc1ccc(C=C2CCOc3ccc(F)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737081004 599154927 /nfs/dbraw/zinc/15/49/27/599154927.db2.gz ANQXJKOGHPZHAV-WQLSENKSSA-N -1 3 366.352 3.063 20 30 FGEDHM COc1ccc(C=C2COc3c(C)cc(C)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737083121 599156170 /nfs/dbraw/zinc/15/61/70/599156170.db2.gz NEXDBMXOPRECCG-RIYZIHGNSA-N -1 3 362.389 3.151 20 30 FGEDHM COc1ccc(C=C2COc3c(C)cc(C)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737083121 599156171 /nfs/dbraw/zinc/15/61/71/599156171.db2.gz NEXDBMXOPRECCG-RIYZIHGNSA-N -1 3 362.389 3.151 20 30 FGEDHM O=C(C=Cc1ccc(Oc2cnccn2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822930063 599236744 /nfs/dbraw/zinc/23/67/44/599236744.db2.gz YAJIRVNYLQGSDS-XCVCLJGOSA-N -1 3 370.372 3.345 20 30 FGEDHM O=C(C=Cc1ccc(Oc2cnccn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822930063 599236746 /nfs/dbraw/zinc/23/67/46/599236746.db2.gz YAJIRVNYLQGSDS-XCVCLJGOSA-N -1 3 370.372 3.345 20 30 FGEDHM C#CCCCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000819692971 599263847 /nfs/dbraw/zinc/26/38/47/599263847.db2.gz LSQKJMHMZSCLFA-UHFFFAOYSA-N -1 3 362.393 3.194 20 30 FGEDHM C#CCCCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000819692971 599263848 /nfs/dbraw/zinc/26/38/48/599263848.db2.gz LSQKJMHMZSCLFA-UHFFFAOYSA-N -1 3 362.393 3.194 20 30 FGEDHM C=CCC[C@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823894235 607779756 /nfs/dbraw/zinc/77/97/56/607779756.db2.gz LEOYHPDHTLVBQG-INIZCTEOSA-N -1 3 358.467 3.388 20 30 FGEDHM C=CCC[C@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823894235 607779757 /nfs/dbraw/zinc/77/97/57/607779757.db2.gz LEOYHPDHTLVBQG-INIZCTEOSA-N -1 3 358.467 3.388 20 30 FGEDHM C#Cc1cccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000735391217 598425352 /nfs/dbraw/zinc/42/53/52/598425352.db2.gz OVHWLHSITGJMSG-UHFFFAOYSA-N -1 3 360.421 3.291 20 30 FGEDHM C#Cc1cccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000735391217 598425354 /nfs/dbraw/zinc/42/53/54/598425354.db2.gz OVHWLHSITGJMSG-UHFFFAOYSA-N -1 3 360.421 3.291 20 30 FGEDHM C=CCN(Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735426247 598631637 /nfs/dbraw/zinc/63/16/37/598631637.db2.gz MWPYZHUCHHGWCP-UHFFFAOYSA-N -1 3 352.373 3.226 20 30 FGEDHM C=CCN(Cc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735426247 598631639 /nfs/dbraw/zinc/63/16/39/598631639.db2.gz MWPYZHUCHHGWCP-UHFFFAOYSA-N -1 3 352.373 3.226 20 30 FGEDHM CCc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)s1 ZINC000736684419 598638762 /nfs/dbraw/zinc/63/87/62/598638762.db2.gz YSFCYCBFVKYNLJ-CMDGGOBGSA-N -1 3 353.451 3.443 20 30 FGEDHM CCc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)s1 ZINC000736684419 598638763 /nfs/dbraw/zinc/63/87/63/598638763.db2.gz YSFCYCBFVKYNLJ-CMDGGOBGSA-N -1 3 353.451 3.443 20 30 FGEDHM C=CCOc1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735436077 598654402 /nfs/dbraw/zinc/65/44/02/598654402.db2.gz FBFOVGPBJKEIHT-UHFFFAOYSA-N -1 3 367.434 3.162 20 30 FGEDHM C=CCOc1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735436077 598654404 /nfs/dbraw/zinc/65/44/04/598654404.db2.gz FBFOVGPBJKEIHT-UHFFFAOYSA-N -1 3 367.434 3.162 20 30 FGEDHM C[C@@H](CC#N)N(C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735964394 598753067 /nfs/dbraw/zinc/75/30/67/598753067.db2.gz ZLADMOLTCAOREY-ZDUSSCGKSA-N -1 3 362.393 3.033 20 30 FGEDHM C[C@@H](CC#N)N(C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735964394 598753068 /nfs/dbraw/zinc/75/30/68/598753068.db2.gz ZLADMOLTCAOREY-ZDUSSCGKSA-N -1 3 362.393 3.033 20 30 FGEDHM C=CCNC(=S)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735431995 598788373 /nfs/dbraw/zinc/78/83/73/598788373.db2.gz LIGRQNSLXJXKDK-UHFFFAOYSA-N -1 3 352.423 3.131 20 30 FGEDHM C=CCNC(=S)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735431995 598788374 /nfs/dbraw/zinc/78/83/74/598788374.db2.gz LIGRQNSLXJXKDK-UHFFFAOYSA-N -1 3 352.423 3.131 20 30 FGEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1C#N ZINC000736818715 599362254 /nfs/dbraw/zinc/36/22/54/599362254.db2.gz WJFXERWOQPTOSR-UHFFFAOYSA-N -1 3 369.226 3.137 20 30 FGEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1C#N ZINC000736818715 599362255 /nfs/dbraw/zinc/36/22/55/599362255.db2.gz WJFXERWOQPTOSR-UHFFFAOYSA-N -1 3 369.226 3.137 20 30 FGEDHM CC(C)Oc1ccc(NCCOc2cccc(C#N)c2)cc1-c1nnn[n-]1 ZINC000820174738 607373095 /nfs/dbraw/zinc/37/30/95/607373095.db2.gz XAGOVPXXBBQMJV-UHFFFAOYSA-N -1 3 364.409 3.016 20 30 FGEDHM CC(C)Oc1ccc(NCCOc2cccc(C#N)c2)cc1-c1nn[n-]n1 ZINC000820174738 607373097 /nfs/dbraw/zinc/37/30/97/607373097.db2.gz XAGOVPXXBBQMJV-UHFFFAOYSA-N -1 3 364.409 3.016 20 30 FGEDHM COc1ccc(C#N)cc1CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821769473 607373399 /nfs/dbraw/zinc/37/33/99/607373399.db2.gz HWJAGUNILVTNIZ-UHFFFAOYSA-N -1 3 364.409 3.146 20 30 FGEDHM COc1ccc(C#N)cc1CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821769473 607373401 /nfs/dbraw/zinc/37/34/01/607373401.db2.gz HWJAGUNILVTNIZ-UHFFFAOYSA-N -1 3 364.409 3.146 20 30 FGEDHM Clc1ccc(NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1Cl ZINC000737575404 599456548 /nfs/dbraw/zinc/45/65/48/599456548.db2.gz UAZFLRYGNFRZKW-UHFFFAOYSA-N -1 3 373.207 3.267 20 30 FGEDHM Clc1ccc(NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1Cl ZINC000737575404 599456550 /nfs/dbraw/zinc/45/65/50/599456550.db2.gz UAZFLRYGNFRZKW-UHFFFAOYSA-N -1 3 373.207 3.267 20 30 FGEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1c(Cl)nc2ccccn21 ZINC000735451025 599534599 /nfs/dbraw/zinc/53/45/99/599534599.db2.gz MVSMCIMVVKNQCE-UHFFFAOYSA-N -1 3 352.789 3.004 20 30 FGEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1c(Cl)nc2ccccn21 ZINC000735451025 599534602 /nfs/dbraw/zinc/53/46/02/599534602.db2.gz MVSMCIMVVKNQCE-UHFFFAOYSA-N -1 3 352.789 3.004 20 30 FGEDHM N#Cc1cccc(OC2CCN([C@@H](C(=O)[O-])c3ccc(F)cc3)CC2)c1 ZINC000739133811 599794854 /nfs/dbraw/zinc/79/48/54/599794854.db2.gz PPJVBMZRMOWPAO-LJQANCHMSA-N -1 3 354.381 3.366 20 30 FGEDHM COc1ccc2[nH]cc(C(=O)C=Cc3ccc(-c4nnn[n-]4)cc3F)c2c1 ZINC000821845564 607459693 /nfs/dbraw/zinc/45/96/93/607459693.db2.gz HXDWUAFDUFZJNH-DAXSKMNVSA-N -1 3 363.352 3.392 20 30 FGEDHM COc1ccc2[nH]cc(C(=O)C=Cc3ccc(-c4nn[n-]n4)cc3F)c2c1 ZINC000821845564 607459695 /nfs/dbraw/zinc/45/96/95/607459695.db2.gz HXDWUAFDUFZJNH-DAXSKMNVSA-N -1 3 363.352 3.392 20 30 FGEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNCc1ccc(C(F)(F)F)cc1 ZINC000822741346 607465699 /nfs/dbraw/zinc/46/56/99/607465699.db2.gz VQIVBNVOSHQMGR-UHFFFAOYSA-N -1 3 364.306 3.148 20 30 FGEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNCc1ccc(C(F)(F)F)cc1 ZINC000822741346 607465700 /nfs/dbraw/zinc/46/57/00/607465700.db2.gz VQIVBNVOSHQMGR-UHFFFAOYSA-N -1 3 364.306 3.148 20 30 FGEDHM O=C(OCC#Cc1cccc(Cl)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823397207 607505018 /nfs/dbraw/zinc/50/50/18/607505018.db2.gz SGSXNKXPKHZUDY-UHFFFAOYSA-N -1 3 374.734 3.007 20 30 FGEDHM O=C(OCC#Cc1cccc(Cl)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823397207 607505021 /nfs/dbraw/zinc/50/50/21/607505021.db2.gz SGSXNKXPKHZUDY-UHFFFAOYSA-N -1 3 374.734 3.007 20 30 FGEDHM N#CC(C(=O)CC1(NC(=O)[O-])CCC1)C(=O)Nc1cccc2ccccc21 ZINC000831065522 604253811 /nfs/dbraw/zinc/25/38/11/604253811.db2.gz RAGMILFPYXEUQJ-OAHLLOKOSA-N -1 3 365.389 3.068 20 30 FGEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)cc2)cc1 ZINC000826385918 607709078 /nfs/dbraw/zinc/70/90/78/607709078.db2.gz HIPXOCAKJGLDBV-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)cc2)cc1 ZINC000826385918 607709079 /nfs/dbraw/zinc/70/90/79/607709079.db2.gz HIPXOCAKJGLDBV-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#CC1(C(=O)Nc2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)CCCC1 ZINC000826380117 607769586 /nfs/dbraw/zinc/76/95/86/607769586.db2.gz NRNDWNUDCZORJA-UHFFFAOYSA-N -1 3 365.422 3.013 20 30 FGEDHM N#CC1(C(=O)Nc2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)CCCC1 ZINC000826380117 607769587 /nfs/dbraw/zinc/76/95/87/607769587.db2.gz NRNDWNUDCZORJA-UHFFFAOYSA-N -1 3 365.422 3.013 20 30 FGEDHM Cc1cc(NN=Cc2cc(-c3nnn[n-]3)cs2)ccc1Br ZINC000822209736 606205733 /nfs/dbraw/zinc/20/57/33/606205733.db2.gz UTJQORZOVFGRQP-UHFFFAOYSA-N -1 3 363.244 3.445 20 30 FGEDHM Cc1cc(NN=Cc2cc(-c3nn[n-]n3)cs2)ccc1Br ZINC000822209736 606205734 /nfs/dbraw/zinc/20/57/34/606205734.db2.gz UTJQORZOVFGRQP-UHFFFAOYSA-N -1 3 363.244 3.445 20 30 FGEDHM FC(F)(F)Oc1ccc(NN=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822718791 606206247 /nfs/dbraw/zinc/20/62/47/606206247.db2.gz QZUZJHJEUWBQAM-UHFFFAOYSA-N -1 3 354.317 3.273 20 30 FGEDHM FC(F)(F)Oc1ccc(NN=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822718791 606206249 /nfs/dbraw/zinc/20/62/49/606206249.db2.gz QZUZJHJEUWBQAM-UHFFFAOYSA-N -1 3 354.317 3.273 20 30 FGEDHM Cc1cccc(N=C2NC(=O)C(=Cc3cc(-c4nnn[n-]4)cs3)S2)c1 ZINC000822324321 606302114 /nfs/dbraw/zinc/30/21/14/606302114.db2.gz ZXXZCAVGVQMBGJ-QPEQYQDCSA-N -1 3 368.447 3.128 20 30 FGEDHM Cc1cccc(N=C2NC(=O)C(=Cc3cc(-c4nn[n-]n4)cs3)S2)c1 ZINC000822324321 606302116 /nfs/dbraw/zinc/30/21/16/606302116.db2.gz ZXXZCAVGVQMBGJ-QPEQYQDCSA-N -1 3 368.447 3.128 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000822802300 606420450 /nfs/dbraw/zinc/42/04/50/606420450.db2.gz YZGYTNHVSIFUCH-GDBMZVCRSA-N -1 3 365.828 3.191 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000822802300 606420453 /nfs/dbraw/zinc/42/04/53/606420453.db2.gz YZGYTNHVSIFUCH-GDBMZVCRSA-N -1 3 365.828 3.191 20 30 FGEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(Cl)c(C#N)n1 ZINC000820093600 606461800 /nfs/dbraw/zinc/46/18/00/606461800.db2.gz ZHHJJNDBXCGPLK-UHFFFAOYSA-N -1 3 367.844 3.449 20 30 FGEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(Cl)c(C#N)n1 ZINC000820093600 606461801 /nfs/dbraw/zinc/46/18/01/606461801.db2.gz ZHHJJNDBXCGPLK-UHFFFAOYSA-N -1 3 367.844 3.449 20 30 FGEDHM O=C(C=Cc1cnc(-c2ccncc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000822936899 606600588 /nfs/dbraw/zinc/60/05/88/606600588.db2.gz XXOVNCOKZYBJFZ-PLNGDYQASA-N -1 3 360.402 3.281 20 30 FGEDHM O=C(C=Cc1cnc(-c2ccncc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000822936899 606600589 /nfs/dbraw/zinc/60/05/89/606600589.db2.gz XXOVNCOKZYBJFZ-PLNGDYQASA-N -1 3 360.402 3.281 20 30 FGEDHM CN(CCC#N)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000821597732 606641908 /nfs/dbraw/zinc/64/19/08/606641908.db2.gz GAFLHSHGOXPTPD-UHFFFAOYSA-N -1 3 363.381 3.036 20 30 FGEDHM CN(CCC#N)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000821597732 606641909 /nfs/dbraw/zinc/64/19/09/606641909.db2.gz GAFLHSHGOXPTPD-UHFFFAOYSA-N -1 3 363.381 3.036 20 30 FGEDHM N#Cc1ccccc1COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000822842468 607031865 /nfs/dbraw/zinc/03/18/65/607031865.db2.gz JRVQRVJSHLUEMG-UHFFFAOYSA-N -1 3 356.183 3.080 20 30 FGEDHM N#Cc1ccccc1COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000822842468 607031868 /nfs/dbraw/zinc/03/18/68/607031868.db2.gz JRVQRVJSHLUEMG-UHFFFAOYSA-N -1 3 356.183 3.080 20 30 FGEDHM N#Cc1c(F)cccc1NCCCCNc1cccc(F)c1-c1nnn[n-]1 ZINC000822818521 607041765 /nfs/dbraw/zinc/04/17/65/607041765.db2.gz BGFPEYPTTBYSCZ-UHFFFAOYSA-N -1 3 369.379 3.321 20 30 FGEDHM N#Cc1c(F)cccc1NCCCCNc1cccc(F)c1-c1nn[n-]n1 ZINC000822818521 607041767 /nfs/dbraw/zinc/04/17/67/607041767.db2.gz BGFPEYPTTBYSCZ-UHFFFAOYSA-N -1 3 369.379 3.321 20 30 FGEDHM CC(C)(C#N)CCCOc1ccc(Br)cc1-c1nnn[n-]1 ZINC000819891577 607042134 /nfs/dbraw/zinc/04/21/34/607042134.db2.gz BKQJZPDAQBUKTM-UHFFFAOYSA-N -1 3 350.220 3.338 20 30 FGEDHM CC(C)(C#N)CCCOc1ccc(Br)cc1-c1nn[n-]n1 ZINC000819891577 607042136 /nfs/dbraw/zinc/04/21/36/607042136.db2.gz BKQJZPDAQBUKTM-UHFFFAOYSA-N -1 3 350.220 3.338 20 30 FGEDHM Fc1cc(-c2nnn[n-]2)ccc1OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000822748215 607135602 /nfs/dbraw/zinc/13/56/02/607135602.db2.gz NQLOFBYZIHADLX-UHFFFAOYSA-N -1 3 362.286 3.455 20 30 FGEDHM Fc1cc(-c2nn[n-]n2)ccc1OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000822748215 607135604 /nfs/dbraw/zinc/13/56/04/607135604.db2.gz NQLOFBYZIHADLX-UHFFFAOYSA-N -1 3 362.286 3.455 20 30 FGEDHM CCN(C(=O)c1cc2ccccc2n1CC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379883 607797454 /nfs/dbraw/zinc/79/74/54/607797454.db2.gz LDQIVDUCKSHTPB-UHFFFAOYSA-N -1 3 371.404 3.012 20 30 FGEDHM CCN(C(=O)c1cc2ccccc2n1CC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379883 607797455 /nfs/dbraw/zinc/79/74/55/607797455.db2.gz LDQIVDUCKSHTPB-UHFFFAOYSA-N -1 3 371.404 3.012 20 30 FGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)CC2 ZINC000826294611 607814267 /nfs/dbraw/zinc/81/42/67/607814267.db2.gz WWMNJUOSVKPYFG-NTEUORMPSA-N -1 3 356.389 3.035 20 30 FGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)CC2 ZINC000826294611 607814268 /nfs/dbraw/zinc/81/42/68/607814268.db2.gz WWMNJUOSVKPYFG-NTEUORMPSA-N -1 3 356.389 3.035 20 30 FGEDHM COc1ccc(CON=Cc2ccccc2OC(C)C)cc1-c1nnn[n-]1 ZINC000826206852 607972097 /nfs/dbraw/zinc/97/20/97/607972097.db2.gz OAOGCXUEJRIAKP-UHFFFAOYSA-N -1 3 367.409 3.213 20 30 FGEDHM COc1ccc(CON=Cc2ccccc2OC(C)C)cc1-c1nn[n-]n1 ZINC000826206852 607972098 /nfs/dbraw/zinc/97/20/98/607972098.db2.gz OAOGCXUEJRIAKP-UHFFFAOYSA-N -1 3 367.409 3.213 20 30 FGEDHM C#CCCOc1ccc(-c2nc3cc(-c4nnn[n-]4)ccc3n2CC)cc1 ZINC000823844584 607974594 /nfs/dbraw/zinc/97/45/94/607974594.db2.gz BZNZCAMDFDKDMX-UHFFFAOYSA-N -1 3 358.405 3.305 20 30 FGEDHM C#CCCOc1ccc(-c2nc3cc(-c4nn[n-]n4)ccc3n2CC)cc1 ZINC000823844584 607974595 /nfs/dbraw/zinc/97/45/95/607974595.db2.gz BZNZCAMDFDKDMX-UHFFFAOYSA-N -1 3 358.405 3.305 20 30 FGEDHM CC(=NNC(=S)Nc1c(C)cccc1C)c1ccc(-c2nnn[n-]2)s1 ZINC000823953545 608091796 /nfs/dbraw/zinc/09/17/96/608091796.db2.gz FWTSGVMTRAQPMZ-UHFFFAOYSA-N -1 3 371.495 3.256 20 30 FGEDHM N#Cc1cccnc1SCCCCSc1ncccc1-c1nnn[n-]1 ZINC000826387398 608111179 /nfs/dbraw/zinc/11/11/79/608111179.db2.gz SUSJGIPSUSGXSL-UHFFFAOYSA-N -1 3 369.479 3.193 20 30 FGEDHM N#Cc1cccnc1SCCCCSc1ncccc1-c1nn[n-]n1 ZINC000826387398 608111180 /nfs/dbraw/zinc/11/11/80/608111180.db2.gz SUSJGIPSUSGXSL-UHFFFAOYSA-N -1 3 369.479 3.193 20 30 FGEDHM N#Cc1ccncc1NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826387622 608295346 /nfs/dbraw/zinc/29/53/46/608295346.db2.gz GWHJGCDIWLDXRK-UHFFFAOYSA-N -1 3 353.389 3.412 20 30 FGEDHM N#Cc1ccncc1NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826387622 608295348 /nfs/dbraw/zinc/29/53/48/608295348.db2.gz GWHJGCDIWLDXRK-UHFFFAOYSA-N -1 3 353.389 3.412 20 30 FGEDHM C#CCCCCC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000823838796 608297311 /nfs/dbraw/zinc/29/73/11/608297311.db2.gz UXTVBYKJQIDMIP-UHFFFAOYSA-N -1 3 366.450 3.046 20 30 FGEDHM C#CCCCCC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000823838796 608297313 /nfs/dbraw/zinc/29/73/13/608297313.db2.gz UXTVBYKJQIDMIP-UHFFFAOYSA-N -1 3 366.450 3.046 20 30 FGEDHM COc1cc(C#N)ccc1CNc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000826176835 608321559 /nfs/dbraw/zinc/32/15/59/608321559.db2.gz GUIMCQIRSIYACD-UHFFFAOYSA-N -1 3 364.409 3.146 20 30 FGEDHM COc1cc(C#N)ccc1CNc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000826176835 608321561 /nfs/dbraw/zinc/32/15/61/608321561.db2.gz GUIMCQIRSIYACD-UHFFFAOYSA-N -1 3 364.409 3.146 20 30 FGEDHM C#C[C@H](OC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000823838187 608454696 /nfs/dbraw/zinc/45/46/96/608454696.db2.gz LHIPBJHSCOVQQI-IBGZPJMESA-N -1 3 374.400 3.014 20 30 FGEDHM C#C[C@H](OC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000823838187 608454697 /nfs/dbraw/zinc/45/46/97/608454697.db2.gz LHIPBJHSCOVQQI-IBGZPJMESA-N -1 3 374.400 3.014 20 30 FGEDHM FC(F)(F)c1ccccc1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826369345 608541860 /nfs/dbraw/zinc/54/18/60/608541860.db2.gz YJBQPNYTZROPQW-UHFFFAOYSA-N -1 3 367.722 3.380 20 30 FGEDHM FC(F)(F)c1ccccc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826369345 608541862 /nfs/dbraw/zinc/54/18/62/608541862.db2.gz YJBQPNYTZROPQW-UHFFFAOYSA-N -1 3 367.722 3.380 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC000826380226 608749409 /nfs/dbraw/zinc/74/94/09/608749409.db2.gz RTAOBGXRKIFKPD-CVEARBPZSA-N -1 3 350.451 3.200 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC000826380226 608749411 /nfs/dbraw/zinc/74/94/11/608749411.db2.gz RTAOBGXRKIFKPD-CVEARBPZSA-N -1 3 350.451 3.200 20 30 FGEDHM COc1cc(F)c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1OC ZINC000826180214 608879306 /nfs/dbraw/zinc/87/93/06/608879306.db2.gz XYBVETXLKGEZRX-XQRVVYSFSA-N -1 3 372.331 3.058 20 30 FGEDHM COc1cc(F)c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1OC ZINC000826180214 608879309 /nfs/dbraw/zinc/87/93/09/608879309.db2.gz XYBVETXLKGEZRX-XQRVVYSFSA-N -1 3 372.331 3.058 20 30 FGEDHM CC(C)(Oc1ccc(-c2nnn[n-]2)cc1)C(=O)OCC1(C#N)CCCCC1 ZINC000824173416 609152813 /nfs/dbraw/zinc/15/28/13/609152813.db2.gz YHDCMBSAPHAFGY-UHFFFAOYSA-N -1 3 369.425 3.041 20 30 FGEDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC1(C#N)CCCCC1 ZINC000824173416 609152815 /nfs/dbraw/zinc/15/28/15/609152815.db2.gz YHDCMBSAPHAFGY-UHFFFAOYSA-N -1 3 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/nfs/dbraw/zinc/27/17/97/609271797.db2.gz SXDIRZMMNPWETP-ALCCZGGFSA-N -1 3 368.368 3.228 20 30 FGEDHM Brc1cc(-c2nnn[n-]2)ccc1CON=Cc1cccs1 ZINC000823821496 609325083 /nfs/dbraw/zinc/32/50/83/609325083.db2.gz VEWYCMNHJMSXPE-UHFFFAOYSA-N -1 3 364.228 3.241 20 30 FGEDHM Brc1cc(-c2nn[n-]n2)ccc1CON=Cc1cccs1 ZINC000823821496 609325086 /nfs/dbraw/zinc/32/50/86/609325086.db2.gz VEWYCMNHJMSXPE-UHFFFAOYSA-N -1 3 364.228 3.241 20 30 FGEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826380572 609386061 /nfs/dbraw/zinc/38/60/61/609386061.db2.gz FPYSZVCEXKKIRS-CJNGLKHVSA-N -1 3 374.404 3.081 20 30 FGEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826380572 609386063 /nfs/dbraw/zinc/38/60/63/609386063.db2.gz FPYSZVCEXKKIRS-CJNGLKHVSA-N -1 3 374.404 3.081 20 30 FGEDHM Clc1cc(NN=Cc2cccc3c2OCCCO3)ccc1-c1nnn[n-]1 ZINC000826351700 609471557 /nfs/dbraw/zinc/47/15/57/609471557.db2.gz WTQFQVQSZBBHHY-UHFFFAOYSA-N -1 3 370.800 3.127 20 30 FGEDHM 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CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1n[n-]c(-c2ccco2)n1 ZINC000073974129 494459567 /nfs/dbraw/zinc/45/95/67/494459567.db2.gz WVGKZGWXFSTOAA-OAHLLOKOSA-N -1 3 365.393 3.189 20 30 FGEDHM Cc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1Br ZINC000131525540 494646795 /nfs/dbraw/zinc/64/67/95/494646795.db2.gz DIWKBCBUHSZOPP-UHFFFAOYSA-N -1 3 351.225 3.430 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000075390589 494755044 /nfs/dbraw/zinc/75/50/44/494755044.db2.gz INTZIMHFTILJOH-FZKQIMNGSA-N -1 3 367.449 3.389 20 30 FGEDHM COC(=O)c1[nH]c(C)c(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)c1C ZINC000131936105 494778607 /nfs/dbraw/zinc/77/86/07/494778607.db2.gz SSYRGEAIUCPOCA-LLVKDONJSA-N -1 3 365.311 3.322 20 30 FGEDHM COc1ccc(S(=O)(=O)[N-][C@H](C#N)C(C)(C)C)c(Cl)c1Cl ZINC000121679827 494836565 /nfs/dbraw/zinc/83/65/65/494836565.db2.gz BWLFUCOUBMWOOD-SNVBAGLBSA-N -1 3 351.255 3.219 20 30 FGEDHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C#N)nc2)c(Br)c1 ZINC000132214841 494840676 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C=CCOc1ccc(C(=O)Nc2nc3c(cccc3C(=O)OC)[n-]2)cc1 ZINC000157780584 496553284 /nfs/dbraw/zinc/55/32/84/496553284.db2.gz KKASZCMJBKAXAW-UHFFFAOYSA-N -1 3 351.362 3.167 20 30 FGEDHM N#CC1(CS(=O)(=O)[N-][C@H](COc2ccccc2F)c2ccccc2)CC1 ZINC000164711615 496628937 /nfs/dbraw/zinc/62/89/37/496628937.db2.gz VKYBZNXIBFTKBY-QGZVFWFLSA-N -1 3 374.437 3.169 20 30 FGEDHM C=C[C@](C)(CC)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000188445000 496792339 /nfs/dbraw/zinc/79/23/39/496792339.db2.gz FIKNPLFWCYVBBN-QGZVFWFLSA-N -1 3 356.463 3.443 20 30 FGEDHM C[C@H]1C[C@H](N(C)C(=O)c2ccc(C#N)c([O-])c2)CCN1Cc1ccccc1 ZINC000188473139 496800983 /nfs/dbraw/zinc/80/09/83/496800983.db2.gz NFOUGOWJJOJHSN-OXJNMPFZSA-N -1 3 363.461 3.389 20 30 FGEDHM CCSc1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)ccn1 ZINC000188639542 496861500 /nfs/dbraw/zinc/86/15/00/496861500.db2.gz YZBUXFHCNOBMBA-UHFFFAOYSA-N -1 3 367.883 3.197 20 30 FGEDHM N#CCSCc1nc(Cc2nc(=O)c3c(C4CC4)csc3[n-]2)no1 ZINC000273733486 496887936 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20 30 FGEDHM Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cc(Cl)ccc3[O-])C2)n1 ZINC000331812863 498463298 /nfs/dbraw/zinc/46/32/98/498463298.db2.gz GYFDHRNHGDFMCB-CQSZACIVSA-N -1 3 370.840 3.476 20 30 FGEDHM CC(C)(C)c1cc([N-]C(=O)c2ccc(C(N)=O)c(Cl)n2)c(C#N)s1 ZINC000297910162 498606821 /nfs/dbraw/zinc/60/68/21/498606821.db2.gz TWCKRBILOZLSHT-UHFFFAOYSA-N -1 3 362.842 3.317 20 30 FGEDHM N#C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000311638197 498753606 /nfs/dbraw/zinc/75/36/06/498753606.db2.gz OMFRXILZZQMAGS-KWQFWETISA-N -1 3 363.664 3.073 20 30 FGEDHM Cc1cccc([N-]S(=O)(=O)c2cnc(C)c(C#N)c2)c1Br ZINC000314639655 498777513 /nfs/dbraw/zinc/77/75/13/498777513.db2.gz GEDRIAVXGNOHPJ-UHFFFAOYSA-N -1 3 366.240 3.133 20 30 FGEDHM Cc1cc(S(=O)(=O)[N-]CC(C)(C)CC#N)sc1Br ZINC000315429982 498784476 /nfs/dbraw/zinc/78/44/76/498784476.db2.gz DJXBPNBAERETMM-UHFFFAOYSA-N -1 3 351.291 3.037 20 30 FGEDHM Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)s1 ZINC000316289594 498786700 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C[C@H](NC(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)[N-]C1=O)C1CCCCC1 ZINC000329246119 499083078 /nfs/dbraw/zinc/08/30/78/499083078.db2.gz AMGXLJBLXFXLIW-WRSAYESZSA-N -1 3 350.463 3.367 20 30 FGEDHM C=CC[C@@H](CC)NC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000410146745 499644932 /nfs/dbraw/zinc/64/49/32/499644932.db2.gz BWIGEBTXJCUVCG-CYBMUJFWSA-N -1 3 359.451 3.114 20 30 FGEDHM C=CCOc1ccc(C(=O)N=c2[nH][n-]c(C)c2-c2ccncc2)cc1OC ZINC000377196491 499669914 /nfs/dbraw/zinc/66/99/14/499669914.db2.gz IWYNCMMOXUWYBA-UHFFFAOYSA-N -1 3 364.405 3.028 20 30 FGEDHM C[C@@H](CCCc1cccnc1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000416537291 500058031 /nfs/dbraw/zinc/05/80/31/500058031.db2.gz OEGLCSHQPBXOMJ-ZDUSSCGKSA-N -1 3 363.870 3.296 20 30 FGEDHM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-][C@@H]1CCCc2cc(C#N)ccc21 ZINC000416662745 500080387 /nfs/dbraw/zinc/08/03/87/500080387.db2.gz PGRRHIJFJPFSHI-MRXNPFEDSA-N -1 3 371.418 3.131 20 30 FGEDHM C=C(C)C(C)(C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000425618525 500161909 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3.246 20 30 FGEDHM C[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1cccc(C2CC2)c1 ZINC000451589736 501331433 /nfs/dbraw/zinc/33/14/33/501331433.db2.gz WBDBMIXSDZBWHC-LBPRGKRZSA-N -1 3 371.418 3.383 20 30 FGEDHM CC(=O)N(Cc1ccc(NC(=O)[N-]c2snc(C)c2C#N)cc1)C1CC1 ZINC000459582139 501681180 /nfs/dbraw/zinc/68/11/80/501681180.db2.gz LSOVIRDWVHQJET-UHFFFAOYSA-N -1 3 369.450 3.478 20 30 FGEDHM N#CCCN(Cc1ccccn1)C(=O)Cc1ccc(Br)cc1[O-] ZINC000477624318 501741995 /nfs/dbraw/zinc/74/19/95/501741995.db2.gz ZRAIPKPTCJYRIY-UHFFFAOYSA-N -1 3 374.238 3.035 20 30 FGEDHM N#CC(=C([O-])c1cccc(-c2nc[nH]n2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464473694 501998668 /nfs/dbraw/zinc/99/86/68/501998668.db2.gz HKLAMVYKVYBJEG-ZDUSSCGKSA-N -1 3 357.295 3.376 20 30 FGEDHM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3)cc2)c1C ZINC000461206512 502038549 /nfs/dbraw/zinc/03/85/49/502038549.db2.gz HNXHJSQZCHZYFA-UHFFFAOYSA-N -1 3 352.419 3.162 20 30 FGEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1ccccc1Br ZINC000475790941 502293889 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O=S(=O)([N-]CC(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000466899153 502718363 /nfs/dbraw/zinc/71/83/63/502718363.db2.gz HNVQWMVPMYXDCS-UHFFFAOYSA-N -1 3 357.222 3.268 20 30 FGEDHM Cc1ncc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)c2ccccc2)cc1C#N ZINC000489127599 502884133 /nfs/dbraw/zinc/88/41/33/502884133.db2.gz WRDFJTLPKYJPLN-HNNXBMFYSA-N -1 3 369.368 3.234 20 30 FGEDHM Cc1ccccc1-c1cc(=NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)[nH][n-]1 ZINC000509484696 502914777 /nfs/dbraw/zinc/91/47/77/502914777.db2.gz RNFXMNFIAQLWIR-FQEVSTJZSA-N -1 3 368.437 3.007 20 30 FGEDHM CCN(C(=O)c1ccc([N-]S(C)(=O)=O)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000509557527 502934347 /nfs/dbraw/zinc/93/43/47/502934347.db2.gz GFIMRYLULYEXTC-CQSZACIVSA-N -1 3 371.462 3.153 20 30 FGEDHM C=CCOc1ccc(C[N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000509617538 502950175 /nfs/dbraw/zinc/95/01/75/502950175.db2.gz AKCQKVQRMPIZKC-UHFFFAOYSA-N -1 3 357.353 3.147 20 30 FGEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1cccc(Cl)c1 ZINC000489841851 503046681 /nfs/dbraw/zinc/04/66/81/503046681.db2.gz KZFNSWGLRXUGNS-INIZCTEOSA-N -1 3 368.817 3.017 20 30 FGEDHM Cc1cccc([O-])c1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 ZINC000490633948 503207685 /nfs/dbraw/zinc/20/76/85/503207685.db2.gz ASHQHXHVBQEMPD-UHFFFAOYSA-N -1 3 358.419 3.030 20 30 FGEDHM CCN(CC)C(=O)c1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)cc1 ZINC000511744638 503379268 /nfs/dbraw/zinc/37/92/68/503379268.db2.gz WXNNIYGGVWTGBG-KRWDZBQOSA-N -1 3 350.422 3.066 20 30 FGEDHM CC(C)(C)[C@@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503480318 503418071 /nfs/dbraw/zinc/41/80/71/503418071.db2.gz VYCPHPHHTVOGPM-XJKSGUPXSA-N -1 3 370.902 3.331 20 30 FGEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1Br ZINC000500494654 503636360 /nfs/dbraw/zinc/63/63/60/503636360.db2.gz DHBPIHJIFLIEEK-NSHDSACASA-N -1 3 365.680 3.319 20 30 FGEDHM Cc1ccccc1-c1cc(=NC(=O)C(C)(C)Oc2ccc(C#N)cc2)[nH][n-]1 ZINC000540421551 503765908 /nfs/dbraw/zinc/76/59/08/503765908.db2.gz OGMWIHYGJOMFBW-UHFFFAOYSA-N -1 3 360.417 3.475 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3cc(F)ccc32)c(F)c1 ZINC000540738620 503876608 /nfs/dbraw/zinc/87/66/08/503876608.db2.gz JLPIZNKCIYUDJB-OAHLLOKOSA-N -1 3 364.373 3.029 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1CCc2ccccc2CC1 ZINC000518324283 503953422 /nfs/dbraw/zinc/95/34/22/503953422.db2.gz GMNIZQJJMXYCLK-UHFFFAOYSA-N -1 3 363.461 3.272 20 30 FGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCc3ccc(F)cc32)c1 ZINC000547792021 504227440 /nfs/dbraw/zinc/22/74/40/504227440.db2.gz QFRLBYPLODPVAW-OAHLLOKOSA-N -1 3 350.802 3.317 20 30 FGEDHM Cc1ncc(CNCc2cccc(OCc3ccccc3C#N)c2)c(=O)[n-]1 ZINC000542314800 504448022 /nfs/dbraw/zinc/44/80/22/504448022.db2.gz LHZMNFGCEUCVPD-UHFFFAOYSA-N -1 3 360.417 3.231 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(Cc2ccccc2)CCC1 ZINC000531870058 504453729 /nfs/dbraw/zinc/45/37/29/504453729.db2.gz RZCGLDWKMMGZAY-UHFFFAOYSA-N -1 3 363.461 3.490 20 30 FGEDHM N#CCc1ccnc(NC(=O)c2c[n-]nc2-c2cccc(OC(F)F)c2)c1 ZINC000531924076 504475636 /nfs/dbraw/zinc/47/56/36/504475636.db2.gz VHCQUPQFPZSNJW-UHFFFAOYSA-N -1 3 369.331 3.391 20 30 FGEDHM N#CCc1ccnc(NC(=O)c2cn[n-]c2-c2cccc(OC(F)F)c2)c1 ZINC000531924076 504475641 /nfs/dbraw/zinc/47/56/41/504475641.db2.gz VHCQUPQFPZSNJW-UHFFFAOYSA-N -1 3 369.331 3.391 20 30 FGEDHM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 ZINC000559821884 504932399 /nfs/dbraw/zinc/93/23/99/504932399.db2.gz UMUHVUUKEULBLW-UHFFFAOYSA-N -1 3 367.789 3.110 20 30 FGEDHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000560466067 505094607 /nfs/dbraw/zinc/09/46/07/505094607.db2.gz QXZHCAVECKSTHN-UHFFFAOYSA-N -1 3 354.403 3.037 20 30 FGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(OC2CCCC2)cc1 ZINC000551128343 505163299 /nfs/dbraw/zinc/16/32/99/505163299.db2.gz PCNDJRBKDBRATD-UHFFFAOYSA-N -1 3 374.437 3.497 20 30 FGEDHM N#Cc1ccncc1C(=O)[N-]c1nnc(SCc2ccccc2)s1 ZINC000561105198 505251739 /nfs/dbraw/zinc/25/17/39/505251739.db2.gz BJNKSTQYDBULSG-UHFFFAOYSA-N -1 3 353.432 3.349 20 30 FGEDHM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000555950734 505546092 /nfs/dbraw/zinc/54/60/92/505546092.db2.gz IZUMRQOIJXAVNG-LBPRGKRZSA-N -1 3 362.838 3.151 20 30 FGEDHM C[C@@H](NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1cccc(C#N)c1 ZINC000603045571 506396318 /nfs/dbraw/zinc/39/63/18/506396318.db2.gz WIOPZAHBZIQELY-SECBINFHSA-N -1 3 371.750 3.275 20 30 FGEDHM N#CC1(CNC(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)CCCCC1 ZINC000603044585 506397326 /nfs/dbraw/zinc/39/73/26/506397326.db2.gz PXBRTOJEDKNWOQ-UHFFFAOYSA-N -1 3 363.771 3.116 20 30 FGEDHM COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(SC)ccc1[O-] ZINC000596749828 506578993 /nfs/dbraw/zinc/57/89/93/506578993.db2.gz MSSMUZZNBKBQER-UHFFFAOYSA-N -1 3 356.447 3.275 20 30 FGEDHM N#Cc1cccc(CN2CCC(N=c3nc(-c4ccccc4)o[n-]3)CC2)c1 ZINC000593514944 506663585 /nfs/dbraw/zinc/66/35/85/506663585.db2.gz HFHUQQVHZUXXPP-UHFFFAOYSA-N -1 3 359.433 3.107 20 30 FGEDHM COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593552238 506682239 /nfs/dbraw/zinc/68/22/39/506682239.db2.gz JSNUMFUMRPOVLM-LBPRGKRZSA-N -1 3 350.465 3.100 20 30 FGEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1)c1ccc(C)o1 ZINC000593558067 506684042 /nfs/dbraw/zinc/68/40/42/506684042.db2.gz RHCKXTNHIXYGRG-INIZCTEOSA-N -1 3 362.451 3.055 20 30 FGEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000593585291 506694408 /nfs/dbraw/zinc/69/44/08/506694408.db2.gz DKDUXLYHJUXZHH-GXTWGEPZSA-N -1 3 350.440 3.373 20 30 FGEDHM CC(C)(C[N-]S(=O)(=O)c1ccsc1C#N)Oc1cc(F)cc(F)c1 ZINC000593599405 506698870 /nfs/dbraw/zinc/69/88/70/506698870.db2.gz UELJLCUNWRXTDI-UHFFFAOYSA-N -1 3 372.418 3.034 20 30 FGEDHM CC(C)Nc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)CCC(C)(C)C#N ZINC000583444095 506783131 /nfs/dbraw/zinc/78/31/31/506783131.db2.gz MXAQGXVCTWQMGL-UHFFFAOYSA-N -1 3 354.432 3.097 20 30 FGEDHM CCc1cc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)ccc1[O-] ZINC000593885950 506820848 /nfs/dbraw/zinc/82/08/48/506820848.db2.gz LDMDTWPNUSWRKT-UHFFFAOYSA-N -1 3 363.461 3.221 20 30 FGEDHM C=CCC1(c2nc(-c3cccc([C@@]4(C)NC(=O)[N-]C4=O)c3)no2)CCCC1 ZINC000583854046 507011765 /nfs/dbraw/zinc/01/17/65/507011765.db2.gz UBUVUAQEBKARAS-LJQANCHMSA-N -1 3 366.421 3.179 20 30 FGEDHM COc1ccc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)cc1[N+](=O)[O-] ZINC000609831297 507017274 /nfs/dbraw/zinc/01/72/74/507017274.db2.gz VBAUVOVNQWCUIC-LBPRGKRZSA-N -1 3 350.334 3.278 20 30 FGEDHM COc1ccc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000609831297 507017280 /nfs/dbraw/zinc/01/72/80/507017280.db2.gz VBAUVOVNQWCUIC-LBPRGKRZSA-N -1 3 350.334 3.278 20 30 FGEDHM N#C[C@]1(C(=O)Nc2nnc(-c3ccc4ccccc4n3)[n-]2)CC12CCCC2 ZINC000597679887 507056465 /nfs/dbraw/zinc/05/64/65/507056465.db2.gz IOPSWHFXCARPGN-FQEVSTJZSA-N -1 3 358.405 3.432 20 30 FGEDHM N#C[C@]1(C(=O)Nc2nc(-c3ccc4ccccc4n3)n[n-]2)CC12CCCC2 ZINC000597679887 507056468 /nfs/dbraw/zinc/05/64/68/507056468.db2.gz IOPSWHFXCARPGN-FQEVSTJZSA-N -1 3 358.405 3.432 20 30 FGEDHM N#C[C@]1(C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)CC12CCCC2 ZINC000597679887 507056471 /nfs/dbraw/zinc/05/64/71/507056471.db2.gz IOPSWHFXCARPGN-FQEVSTJZSA-N -1 3 358.405 3.432 20 30 FGEDHM COc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000610083987 507094283 /nfs/dbraw/zinc/09/42/83/507094283.db2.gz AWRFBYYCETZGJW-CYBMUJFWSA-N -1 3 362.426 3.006 20 30 FGEDHM N#CC[C@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000597914733 507171243 /nfs/dbraw/zinc/17/12/43/507171243.db2.gz YHUSNXUUIQTEAT-LLVKDONJSA-N -1 3 374.238 3.056 20 30 FGEDHM N#C[C@]1([N-]S(=O)(=O)CCc2ccccc2Cl)CCc2ccccc2C1 ZINC000594720101 507251330 /nfs/dbraw/zinc/25/13/30/507251330.db2.gz CMWWJHJQNWUGOX-IBGZPJMESA-N -1 3 374.893 3.253 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H]1c1ccc(F)cc1 ZINC000598102018 507255504 /nfs/dbraw/zinc/25/55/04/507255504.db2.gz RRPCVZGAPPFERY-SFHVURJKSA-N -1 3 353.397 3.321 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CCCc2c[nH]nc21 ZINC000594764471 507271575 /nfs/dbraw/zinc/27/15/75/507271575.db2.gz MVDUGRRJGKRHNI-AWEZNQCLSA-N -1 3 372.475 3.160 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CCS[C@@H]1C ZINC000594796059 507283601 /nfs/dbraw/zinc/28/36/01/507283601.db2.gz RKPNOVCMAMRGDM-MFKMUULPSA-N -1 3 352.506 3.254 20 30 FGEDHM Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-]C(C)(C)c2cccc(C#N)c2)c1C ZINC000594812965 507288334 /nfs/dbraw/zinc/28/83/34/507288334.db2.gz JQVKPYPPGZZXJB-UHFFFAOYSA-N -1 3 373.434 3.297 20 30 FGEDHM C[C@]1(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1(F)F ZINC000594858690 507298056 /nfs/dbraw/zinc/29/80/56/507298056.db2.gz UZYWSDLJJQHCGW-LBPRGKRZSA-N -1 3 368.327 3.291 20 30 FGEDHM N#CC1(CS(=O)(=O)[N-][C@@H]2COc3c2cccc3Cl)CCCCC1 ZINC000613934448 507306011 /nfs/dbraw/zinc/30/60/11/507306011.db2.gz OPVTZOLMOFVPJS-CQSZACIVSA-N -1 3 354.859 3.167 20 30 FGEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1Cl ZINC000585739646 507610250 /nfs/dbraw/zinc/61/02/50/507610250.db2.gz LPEXUUPAFSJDPK-UHFFFAOYSA-N -1 3 359.209 3.483 20 30 FGEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc2[nH][n-]c(=O)c2c1 ZINC000614727658 507637309 /nfs/dbraw/zinc/63/73/09/507637309.db2.gz CYUQLFMNNMSQNT-UHFFFAOYSA-N -1 3 353.426 3.264 20 30 FGEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3c(C)noc3C(C)C)sc2C1 ZINC000598889302 507664963 /nfs/dbraw/zinc/66/49/63/507664963.db2.gz YHNIWXJYYWRXLT-UHFFFAOYSA-N -1 3 372.450 3.197 20 30 FGEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3ncsc3C(C)C)sc2C1 ZINC000598891539 507667226 /nfs/dbraw/zinc/66/72/26/507667226.db2.gz SJNHBEXWDJKKKY-UHFFFAOYSA-N -1 3 374.491 3.357 20 30 FGEDHM N#Cc1cc(-c2nnn[n-]2)c(SCCc2ccc3ccccc3c2)nc1N ZINC000737706653 598901073 /nfs/dbraw/zinc/90/10/73/598901073.db2.gz XSRNJODIMGANQT-UHFFFAOYSA-N -1 3 373.445 3.204 20 30 FGEDHM N#Cc1cc(-c2nn[n-]n2)c(SCCc2ccc3ccccc3c2)nc1N ZINC000737706653 598901075 /nfs/dbraw/zinc/90/10/75/598901075.db2.gz XSRNJODIMGANQT-UHFFFAOYSA-N -1 3 373.445 3.204 20 30 FGEDHM N#Cc1ccc(NC(=O)CCCc2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000737716849 598916424 /nfs/dbraw/zinc/91/64/24/598916424.db2.gz VXMTWCULLVEHKU-UHFFFAOYSA-N -1 3 366.812 3.353 20 30 FGEDHM N#Cc1ccc(NC(=O)CCCc2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000737716849 598916425 /nfs/dbraw/zinc/91/64/25/598916425.db2.gz VXMTWCULLVEHKU-UHFFFAOYSA-N -1 3 366.812 3.353 20 30 FGEDHM N#Cc1cc(NC(=O)c2cc(Cl)cc(Cl)c2)ccc1-c1nnn[n-]1 ZINC000737710353 598915525 /nfs/dbraw/zinc/91/55/25/598915525.db2.gz XIHACRCNVDWZHF-UHFFFAOYSA-N -1 3 359.176 3.297 20 30 FGEDHM N#Cc1cc(NC(=O)c2cc(Cl)cc(Cl)c2)ccc1-c1nn[n-]n1 ZINC000737710353 598915527 /nfs/dbraw/zinc/91/55/27/598915527.db2.gz XIHACRCNVDWZHF-UHFFFAOYSA-N -1 3 359.176 3.297 20 30 FGEDHM O=C(C=Cc1nccn1Cc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000737805886 598926325 /nfs/dbraw/zinc/92/63/25/598926325.db2.gz FAZAQIYJAWEVFE-KTKRTIGZSA-N -1 3 356.389 3.008 20 30 FGEDHM O=C(C=Cc1nccn1Cc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000737805886 598926327 /nfs/dbraw/zinc/92/63/27/598926327.db2.gz FAZAQIYJAWEVFE-KTKRTIGZSA-N -1 3 356.389 3.008 20 30 FGEDHM Cc1cc(C)cc(C2(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)CC2)c1 ZINC000737253001 598928139 /nfs/dbraw/zinc/92/81/39/598928139.db2.gz NCUVMBHOEXUUPZ-UHFFFAOYSA-N -1 3 358.405 3.026 20 30 FGEDHM Cc1cc(C)cc(C2(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)CC2)c1 ZINC000737253001 598928141 /nfs/dbraw/zinc/92/81/41/598928141.db2.gz NCUVMBHOEXUUPZ-UHFFFAOYSA-N -1 3 358.405 3.026 20 30 FGEDHM COc1ccc2oc(C)c(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c2c1 ZINC000737120363 598928361 /nfs/dbraw/zinc/92/83/61/598928361.db2.gz MSYGTBDFUOXZSI-UHFFFAOYSA-N -1 3 374.360 3.054 20 30 FGEDHM COc1ccc2oc(C)c(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c2c1 ZINC000737120363 598928363 /nfs/dbraw/zinc/92/83/63/598928363.db2.gz MSYGTBDFUOXZSI-UHFFFAOYSA-N -1 3 374.360 3.054 20 30 FGEDHM Cc1cccc2c1ncc(C#N)c2N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737410331 599122776 /nfs/dbraw/zinc/12/27/76/599122776.db2.gz RKONQVVGSRJVPB-CYBMUJFWSA-N -1 3 355.405 3.190 20 30 FGEDHM Cc1cccc2c1ncc(C#N)c2N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737410331 599122777 /nfs/dbraw/zinc/12/27/77/599122777.db2.gz RKONQVVGSRJVPB-CYBMUJFWSA-N -1 3 355.405 3.190 20 30 FGEDHM C=C(Cl)COC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735402400 599128689 /nfs/dbraw/zinc/12/86/89/599128689.db2.gz UPBUETXNELOYGP-UHFFFAOYSA-N -1 3 370.796 3.355 20 30 FGEDHM COc1ccc(C)cc1C(=O)C=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000737077742 599152910 /nfs/dbraw/zinc/15/29/10/599152910.db2.gz XLKNWVSXKMHFFZ-ALCCZGGFSA-N -1 3 350.378 3.088 20 30 FGEDHM COc1ccc(C)cc1C(=O)C=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000737077742 599152912 /nfs/dbraw/zinc/15/29/12/599152912.db2.gz XLKNWVSXKMHFFZ-ALCCZGGFSA-N -1 3 350.378 3.088 20 30 FGEDHM Cc1c(C(=O)C=Cc2cccs2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737202801 599157649 /nfs/dbraw/zinc/15/76/49/599157649.db2.gz OFFSFKLIWNGRSB-HJWRWDBZSA-N -1 3 362.418 3.318 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cc3ccc(F)cc3s2)cc1-c1nnn[n-]1 ZINC000737719604 599196560 /nfs/dbraw/zinc/19/65/60/599196560.db2.gz TVZQGHQEVLBRDO-UHFFFAOYSA-N -1 3 364.365 3.344 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cc3ccc(F)cc3s2)cc1-c1nn[n-]n1 ZINC000737719604 599196562 /nfs/dbraw/zinc/19/65/62/599196562.db2.gz TVZQGHQEVLBRDO-UHFFFAOYSA-N -1 3 364.365 3.344 20 30 FGEDHM C=CC[C@@H](C)NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000735409360 599203612 /nfs/dbraw/zinc/20/36/12/599203612.db2.gz CZICUOAOYOETHZ-CQSZACIVSA-N -1 3 363.421 3.140 20 30 FGEDHM C=CC[C@@H](C)NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000735409360 599203615 /nfs/dbraw/zinc/20/36/15/599203615.db2.gz CZICUOAOYOETHZ-CQSZACIVSA-N -1 3 363.421 3.140 20 30 FGEDHM C#CCOC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735379995 599215449 /nfs/dbraw/zinc/21/54/49/599215449.db2.gz BFCBRPKECXPZPW-UHFFFAOYSA-N -1 3 354.753 3.102 20 30 FGEDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N[C@H](C)c1ccc(C#N)cc1 ZINC000737263784 599273300 /nfs/dbraw/zinc/27/33/00/599273300.db2.gz PCXLPUXPOMODMV-GFCCVEGCSA-N -1 3 373.395 3.329 20 30 FGEDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N[C@H](C)c1ccc(C#N)cc1 ZINC000737263784 599273301 /nfs/dbraw/zinc/27/33/01/599273301.db2.gz PCXLPUXPOMODMV-GFCCVEGCSA-N -1 3 373.395 3.329 20 30 FGEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1C(F)(F)F ZINC000736818748 598276791 /nfs/dbraw/zinc/27/67/91/598276791.db2.gz XKPHAMJFBAMWQB-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1C(F)(F)F ZINC000736818748 598276793 /nfs/dbraw/zinc/27/67/93/598276793.db2.gz XKPHAMJFBAMWQB-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(F)cc2F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202074 598378484 /nfs/dbraw/zinc/37/84/84/598378484.db2.gz JAZSFBWEERXBAW-FNORWQNLSA-N -1 3 355.348 3.097 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(F)cc2F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202074 598378485 /nfs/dbraw/zinc/37/84/85/598378485.db2.gz JAZSFBWEERXBAW-FNORWQNLSA-N -1 3 355.348 3.097 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCSC(C)(C)C ZINC000735420731 598479413 /nfs/dbraw/zinc/47/94/13/598479413.db2.gz RIIFIKRKLPTKAL-UHFFFAOYSA-N -1 3 374.514 3.096 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCSC(C)(C)C ZINC000735420731 598479415 /nfs/dbraw/zinc/47/94/15/598479415.db2.gz RIIFIKRKLPTKAL-UHFFFAOYSA-N -1 3 374.514 3.096 20 30 FGEDHM N#C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)c(Cl)c1 ZINC000737676067 598591365 /nfs/dbraw/zinc/59/13/65/598591365.db2.gz ULRCSGQODAINAU-AWEZNQCLSA-N -1 3 373.203 3.168 20 30 FGEDHM N#C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)c(Cl)c1 ZINC000737676067 598591367 /nfs/dbraw/zinc/59/13/67/598591367.db2.gz ULRCSGQODAINAU-AWEZNQCLSA-N -1 3 373.203 3.168 20 30 FGEDHM N#Cc1ccc(OCCSCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737720982 598695668 /nfs/dbraw/zinc/69/56/68/598695668.db2.gz DUVGCAZHANVBPA-UHFFFAOYSA-N -1 3 355.398 3.190 20 30 FGEDHM N#Cc1ccc(OCCSCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737720982 598695670 /nfs/dbraw/zinc/69/56/70/598695670.db2.gz DUVGCAZHANVBPA-UHFFFAOYSA-N -1 3 355.398 3.190 20 30 FGEDHM CCN(CCC#N)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736535162 598701631 /nfs/dbraw/zinc/70/16/31/598701631.db2.gz RIRDPAOQLZTOFN-UHFFFAOYSA-N -1 3 362.393 3.035 20 30 FGEDHM CCN(CCC#N)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736535162 598701633 /nfs/dbraw/zinc/70/16/33/598701633.db2.gz RIRDPAOQLZTOFN-UHFFFAOYSA-N -1 3 362.393 3.035 20 30 FGEDHM Cc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737379207 598734016 /nfs/dbraw/zinc/73/40/16/598734016.db2.gz FVUUAMFAZUYPJI-MDZDMXLPSA-N -1 3 356.389 3.461 20 30 FGEDHM Cc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737379207 598734018 /nfs/dbraw/zinc/73/40/18/598734018.db2.gz FVUUAMFAZUYPJI-MDZDMXLPSA-N -1 3 356.389 3.461 20 30 FGEDHM C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000820461481 599355214 /nfs/dbraw/zinc/35/52/14/599355214.db2.gz KVEVEMPXRRFLFL-SECBINFHSA-N -1 3 359.315 3.325 20 30 FGEDHM C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000820461481 599355216 /nfs/dbraw/zinc/35/52/16/599355216.db2.gz KVEVEMPXRRFLFL-SECBINFHSA-N -1 3 359.315 3.325 20 30 FGEDHM C=C(C)CCOC(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000819723061 599626686 /nfs/dbraw/zinc/62/66/86/599626686.db2.gz WOJOLHAKMCXNFP-UHFFFAOYSA-N -1 3 354.366 3.162 20 30 FGEDHM C=C(C)CCOC(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000819723061 599626687 /nfs/dbraw/zinc/62/66/87/599626687.db2.gz WOJOLHAKMCXNFP-UHFFFAOYSA-N -1 3 354.366 3.162 20 30 FGEDHM N#Cc1cccc(OCCN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC000739139112 600327981 /nfs/dbraw/zinc/32/79/81/600327981.db2.gz DWPRSRZMEQGOLQ-UHFFFAOYSA-N -1 3 360.360 3.192 20 30 FGEDHM CC(C)NC(=O)Nc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736477004 600592922 /nfs/dbraw/zinc/59/29/22/600592922.db2.gz ZCSYGCPMTAJVEJ-GOSISDBHSA-N -1 3 366.421 3.004 20 30 FGEDHM CN(C(=O)OC(C)(C)C)C1CCN([C@@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000830519424 601316537 /nfs/dbraw/zinc/31/65/37/601316537.db2.gz RCLJUOGHRQMSHT-QGZVFWFLSA-N -1 3 373.453 3.015 20 30 FGEDHM N#CC(C(=O)C[C@H](Cc1ccccc1)NC(=O)[O-])c1nc2ccccc2[nH]1 ZINC000831064001 604213482 /nfs/dbraw/zinc/21/34/82/604213482.db2.gz AUUBHQLASSHEET-GJZGRUSLSA-N -1 3 362.389 3.008 20 30 FGEDHM CCCCCCCCc1nnc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)s1 ZINC000825271917 607703864 /nfs/dbraw/zinc/70/38/64/607703864.db2.gz QLJAHXLPVCVOGZ-UHFFFAOYSA-N -1 3 374.474 3.202 20 30 FGEDHM CCCCCCCCc1nnc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)s1 ZINC000825271917 607703866 /nfs/dbraw/zinc/70/38/66/607703866.db2.gz QLJAHXLPVCVOGZ-UHFFFAOYSA-N -1 3 374.474 3.202 20 30 FGEDHM C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000833402825 604931466 /nfs/dbraw/zinc/93/14/66/604931466.db2.gz XIGVBZLMZWXVHW-IRXDYDNUSA-N -1 3 371.481 3.145 20 30 FGEDHM N#Cc1ccc(CN2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@H]3C2)c(OC(F)F)c1 ZINC000833972103 605447492 /nfs/dbraw/zinc/44/74/92/605447492.db2.gz VELCUJUXFLKCKN-AEGPPILISA-N -1 3 365.380 3.028 20 30 FGEDHM C=CCC(CC=C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nnn[n-]2)c1 ZINC000823888452 607758879 /nfs/dbraw/zinc/75/88/79/607758879.db2.gz MQTJHHDMUAYURJ-UHFFFAOYSA-N -1 3 370.413 3.142 20 30 FGEDHM C=CCC(CC=C)C(=O)Nc1ccc(NC(=O)OCC)c(-c2nn[n-]n2)c1 ZINC000823888452 607758880 /nfs/dbraw/zinc/75/88/80/607758880.db2.gz MQTJHHDMUAYURJ-UHFFFAOYSA-N -1 3 370.413 3.142 20 30 FGEDHM CC(C)[C@@H](C#N)OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820017450 606168501 /nfs/dbraw/zinc/16/85/01/606168501.db2.gz XLIINVYRHXCSIV-QGZVFWFLSA-N -1 3 362.393 3.315 20 30 FGEDHM Cc1cc(N[C@H]2CCC[C@@H]2C#N)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822209663 606241824 /nfs/dbraw/zinc/24/18/24/606241824.db2.gz QYUGNLMKVMXZES-OLZOCXBDSA-N -1 3 358.409 3.080 20 30 FGEDHM Cc1cc(N[C@H]2CCC[C@@H]2C#N)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822209663 606241825 /nfs/dbraw/zinc/24/18/25/606241825.db2.gz QYUGNLMKVMXZES-OLZOCXBDSA-N -1 3 358.409 3.080 20 30 FGEDHM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000822801350 606255615 /nfs/dbraw/zinc/25/56/15/606255615.db2.gz HGTJGHKMBNRFFU-KRWDZBQOSA-N -1 3 369.388 3.103 20 30 FGEDHM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000822801350 606255617 /nfs/dbraw/zinc/25/56/17/606255617.db2.gz HGTJGHKMBNRFFU-KRWDZBQOSA-N -1 3 369.388 3.103 20 30 FGEDHM Cc1cc(NN=Cc2ccc(-c3nnn[n-]3)s2)ccc1Br ZINC000822209354 606370855 /nfs/dbraw/zinc/37/08/55/606370855.db2.gz FFKGQUCBVULNAQ-UHFFFAOYSA-N -1 3 363.244 3.445 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCOc1cccc(-c2nn[n-]n2)c1 ZINC000822801383 606452382 /nfs/dbraw/zinc/45/23/82/606452382.db2.gz IICKGLIRQGOVFI-PMACEKPBSA-N -1 3 374.448 3.017 20 30 FGEDHM N#Cc1ccc(COc2ccc(-c3nnn[n-]3)c(F)c2)c(OC(F)F)c1 ZINC000822825734 606591300 /nfs/dbraw/zinc/59/13/00/606591300.db2.gz NMUHFGJBADJSQQ-UHFFFAOYSA-N -1 3 361.283 3.058 20 30 FGEDHM N#Cc1ccc(COc2ccc(-c3nn[n-]n3)c(F)c2)c(OC(F)F)c1 ZINC000822825734 606591302 /nfs/dbraw/zinc/59/13/02/606591302.db2.gz NMUHFGJBADJSQQ-UHFFFAOYSA-N -1 3 361.283 3.058 20 30 FGEDHM Cc1ccc(-c2nnn[n-]2)cc1NCc1ccc(C#N)cc1OC(F)F ZINC000822221408 606597379 /nfs/dbraw/zinc/59/73/79/606597379.db2.gz OBDQFVYZIOSFAQ-UHFFFAOYSA-N -1 3 356.336 3.260 20 30 FGEDHM Cc1ccc(-c2nn[n-]n2)cc1NCc1ccc(C#N)cc1OC(F)F ZINC000822221408 606597380 /nfs/dbraw/zinc/59/73/80/606597380.db2.gz OBDQFVYZIOSFAQ-UHFFFAOYSA-N -1 3 356.336 3.260 20 30 FGEDHM Cc1c2c(nc(SCc3cc(F)ccc3C#N)c1-c1nnn[n-]1)CCC2 ZINC000822128627 607038018 /nfs/dbraw/zinc/03/80/18/607038018.db2.gz FBEYVPWLUYVXLX-UHFFFAOYSA-N -1 3 366.425 3.362 20 30 FGEDHM Cc1c2c(nc(SCc3cc(F)ccc3C#N)c1-c1nn[n-]n1)CCC2 ZINC000822128627 607038020 /nfs/dbraw/zinc/03/80/20/607038020.db2.gz FBEYVPWLUYVXLX-UHFFFAOYSA-N -1 3 366.425 3.362 20 30 FGEDHM CC(=Cc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000823944152 608004494 /nfs/dbraw/zinc/00/44/94/608004494.db2.gz YYJYUKDNSZRNBK-XFFZJAGNSA-N -1 3 364.796 3.434 20 30 FGEDHM CC(=Cc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000823944152 608004495 /nfs/dbraw/zinc/00/44/95/608004495.db2.gz YYJYUKDNSZRNBK-XFFZJAGNSA-N -1 3 364.796 3.434 20 30 FGEDHM CC=C(C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000825028724 608039384 /nfs/dbraw/zinc/03/93/84/608039384.db2.gz JXMAUEBOTMABBN-JUSXSOTRSA-N -1 3 350.407 3.133 20 30 FGEDHM CC=C(C)C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000825028724 608039385 /nfs/dbraw/zinc/03/93/85/608039385.db2.gz JXMAUEBOTMABBN-JUSXSOTRSA-N -1 3 350.407 3.133 20 30 FGEDHM CC(N=Nc1ncc(Cl)cc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC000823962896 608092298 /nfs/dbraw/zinc/09/22/98/608092298.db2.gz QUMOIRVDIFIFLV-UHFFFAOYSA-N -1 3 354.226 3.466 20 30 FGEDHM COc1ccc(-c2nnn[n-]2)cc1CON=Cc1ccccc1OC(C)C ZINC000826184523 608150190 /nfs/dbraw/zinc/15/01/90/608150190.db2.gz AHRXDBRXBWMIRC-UHFFFAOYSA-N -1 3 367.409 3.213 20 30 FGEDHM COc1ccc(-c2nn[n-]n2)cc1CON=Cc1ccccc1OC(C)C ZINC000826184523 608150191 /nfs/dbraw/zinc/15/01/91/608150191.db2.gz AHRXDBRXBWMIRC-UHFFFAOYSA-N -1 3 367.409 3.213 20 30 FGEDHM C#CCCCCC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000823837867 608300705 /nfs/dbraw/zinc/30/07/05/608300705.db2.gz HYPXYSMRKUKYIL-UHFFFAOYSA-N -1 3 365.462 3.405 20 30 FGEDHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(OC(C)C)c(C#N)c1 ZINC000826170736 608321031 /nfs/dbraw/zinc/32/10/31/608321031.db2.gz NMJQCCKNMZZDCX-UHFFFAOYSA-N -1 3 364.409 3.146 20 30 FGEDHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(OC(C)C)c(C#N)c1 ZINC000826170736 608321032 /nfs/dbraw/zinc/32/10/32/608321032.db2.gz NMJQCCKNMZZDCX-UHFFFAOYSA-N -1 3 364.409 3.146 20 30 FGEDHM CC(C)(C)c1cc(NC(=O)Cc2cccc(-c3nnn[n-]3)c2)c(C#N)s1 ZINC000824130888 608348893 /nfs/dbraw/zinc/34/88/93/608348893.db2.gz RAKQGDGAHXWSMJ-UHFFFAOYSA-N -1 3 366.450 3.279 20 30 FGEDHM CC(C)(C)c1cc(NC(=O)Cc2cccc(-c3nn[n-]n3)c2)c(C#N)s1 ZINC000824130888 608348894 /nfs/dbraw/zinc/34/88/94/608348894.db2.gz RAKQGDGAHXWSMJ-UHFFFAOYSA-N -1 3 366.450 3.279 20 30 FGEDHM C[C@@H]1CCc2c(F)cccc2C1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824969394 608535556 /nfs/dbraw/zinc/53/55/56/608535556.db2.gz TYAKNMAFNVNTTH-SECBINFHSA-N -1 3 371.807 3.453 20 30 FGEDHM C[C@@H]1CCc2c(F)cccc2C1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824969394 608535557 /nfs/dbraw/zinc/53/55/57/608535557.db2.gz TYAKNMAFNVNTTH-SECBINFHSA-N -1 3 371.807 3.453 20 30 FGEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC(Cc2ccccc2)C2CC2)n1 ZINC000826350440 608541243 /nfs/dbraw/zinc/54/12/43/608541243.db2.gz WKYULKKIXPFRPI-UHFFFAOYSA-N -1 3 353.817 3.336 20 30 FGEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC(Cc2ccccc2)C2CC2)n1 ZINC000826350440 608541245 /nfs/dbraw/zinc/54/12/45/608541245.db2.gz WKYULKKIXPFRPI-UHFFFAOYSA-N -1 3 353.817 3.336 20 30 FGEDHM Fc1ccccc1C1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1 ZINC000826377959 608541737 /nfs/dbraw/zinc/54/17/37/608541737.db2.gz OOPYEONBLGKSKK-UHFFFAOYSA-N -1 3 357.780 3.400 20 30 FGEDHM Fc1ccccc1C1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1 ZINC000826377959 608541739 /nfs/dbraw/zinc/54/17/39/608541739.db2.gz OOPYEONBLGKSKK-UHFFFAOYSA-N -1 3 357.780 3.400 20 30 FGEDHM CN(C)c1cc(F)ccc1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825875574 608879374 /nfs/dbraw/zinc/87/93/74/608879374.db2.gz SXOMJVWZVSJBFM-YWEYNIOJSA-N -1 3 355.348 3.107 20 30 FGEDHM CN(C)c1cc(F)ccc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825875574 608879376 /nfs/dbraw/zinc/87/93/76/608879376.db2.gz SXOMJVWZVSJBFM-YWEYNIOJSA-N -1 3 355.348 3.107 20 30 FGEDHM CCNc1ccc(-c2nn[n-]n2)cc1NCC#Cc1cccc(Cl)c1 ZINC000825476652 609177234 /nfs/dbraw/zinc/17/72/34/609177234.db2.gz QXJQWYLMRXHGGG-UHFFFAOYSA-N -1 3 352.829 3.416 20 30 FGEDHM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(-c2ccccc2)n1 ZINC000826359344 609272168 /nfs/dbraw/zinc/27/21/68/609272168.db2.gz DAKBQEANENUIFD-NTMALXAHSA-N -1 3 374.379 3.302 20 30 FGEDHM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(-c2ccccc2)n1 ZINC000826359344 609272170 /nfs/dbraw/zinc/27/21/70/609272170.db2.gz DAKBQEANENUIFD-NTMALXAHSA-N -1 3 374.379 3.302 20 30 FGEDHM CCN(CCC#N)C(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825419410 609375708 /nfs/dbraw/zinc/37/57/08/609375708.db2.gz OWNQRQFOAWQYMQ-UHFFFAOYSA-N -1 3 362.393 3.035 20 30 FGEDHM CCN(CCC#N)C(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825419410 609375711 /nfs/dbraw/zinc/37/57/11/609375711.db2.gz OWNQRQFOAWQYMQ-UHFFFAOYSA-N -1 3 362.393 3.035 20 30 FGEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)cc2)cc1 ZINC000826385937 609449125 /nfs/dbraw/zinc/44/91/25/609449125.db2.gz IDCZJWVTJVGSTP-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cc2)cc1 ZINC000826385937 609449127 /nfs/dbraw/zinc/44/91/27/609449127.db2.gz IDCZJWVTJVGSTP-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM CC(C)Oc1ccc(NCc2cccc(C#N)c2F)cc1-c1nnn[n-]1 ZINC000824329678 609479967 /nfs/dbraw/zinc/47/99/67/609479967.db2.gz UGASJXCXBPZPIB-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM CC(C)Oc1ccc(NCc2cccc(C#N)c2F)cc1-c1nn[n-]n1 ZINC000824329678 609479969 /nfs/dbraw/zinc/47/99/69/609479969.db2.gz UGASJXCXBPZPIB-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM Cc1c2c(nc(SCc3ccc(CC#N)cc3)c1-c1nnn[n-]1)CCC2 ZINC000826242954 609486990 /nfs/dbraw/zinc/48/69/90/609486990.db2.gz NJBQHFDQWAGVPK-UHFFFAOYSA-N -1 3 362.462 3.417 20 30 FGEDHM Cc1c2c(nc(SCc3ccc(CC#N)cc3)c1-c1nn[n-]n1)CCC2 ZINC000826242954 609486992 /nfs/dbraw/zinc/48/69/92/609486992.db2.gz NJBQHFDQWAGVPK-UHFFFAOYSA-N -1 3 362.462 3.417 20 30 FGEDHM C[C@H](C#N)Oc1ccccc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000824034500 609511451 /nfs/dbraw/zinc/51/14/51/609511451.db2.gz LAMUPKLPODCYTO-CQSZACIVSA-N -1 3 364.409 3.039 20 30 FGEDHM C[C@H](C#N)Oc1ccccc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000824034500 609511452 /nfs/dbraw/zinc/51/14/52/609511452.db2.gz LAMUPKLPODCYTO-CQSZACIVSA-N -1 3 364.409 3.039 20 30 FGEDHM CC[C@H]1C[C@H](CN=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000825184552 609517200 /nfs/dbraw/zinc/51/72/00/609517200.db2.gz VZCCLVPWZGDMLP-PWSUYJOCSA-N -1 3 368.363 3.488 20 30 FGEDHM CC[C@H]1C[C@H](CN=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000825184552 609517204 /nfs/dbraw/zinc/51/72/04/609517204.db2.gz VZCCLVPWZGDMLP-PWSUYJOCSA-N -1 3 368.363 3.488 20 30 FGEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(OCC(F)(F)F)cc2)c1[O-] ZINC000027067622 695690566 /nfs/dbraw/zinc/69/05/66/695690566.db2.gz FVUXHIATFFPBBC-ODCIPOBUSA-N -1 3 354.328 3.148 20 30 FGEDHM Cc1csc(C(C#N)=C([O-])c2ccc(OCc3noc(C)n3)cc2)n1 ZINC000041517522 695762853 /nfs/dbraw/zinc/76/28/53/695762853.db2.gz GOXGSBHFCPZCAY-AWEZNQCLSA-N -1 3 354.391 3.212 20 30 FGEDHM COc1cccc([C@H](O)C/N=C/c2cc(Br)ccc2[O-])c1 ZINC000110129495 700538631 /nfs/dbraw/zinc/53/86/31/700538631.db2.gz MNVVOAHRPRKZCL-TWIVVOHQSA-N -1 3 350.212 3.316 20 30 FGEDHM C[C@@H](CC#N)OC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000113696418 700574751 /nfs/dbraw/zinc/57/47/51/700574751.db2.gz BSEHCXKPJQDWPS-LBPRGKRZSA-N -1 3 362.382 3.085 20 30 FGEDHM CCn1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000114618205 700580721 /nfs/dbraw/zinc/58/07/21/700580721.db2.gz XCOLDKUXJQMNCF-ZDUSSCGKSA-N -1 3 351.193 3.171 20 30 FGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1sc(CC)nc1C ZINC000140344274 704880514 /nfs/dbraw/zinc/88/05/14/704880514.db2.gz PTMVKTQHXHUEMK-LBPRGKRZSA-N -1 3 357.435 3.374 20 30 FGEDHM O=C1[C@@H](/N=C\c2cc(Br)ccc2[O-])CCN1c1ccccc1 ZINC000255203578 713687784 /nfs/dbraw/zinc/68/77/84/713687784.db2.gz DIRQQSPWPIEQSB-VUQQOUJSSA-N -1 3 359.223 3.379 20 30 FGEDHM Cc1nc(C)c(CC(=O)Nc2ccccc2SC[C@H](C)C#N)c(=O)[n-]1 ZINC000521727513 714144819 /nfs/dbraw/zinc/14/48/19/714144819.db2.gz YEASHNVYMUSPOX-LLVKDONJSA-N -1 3 356.451 3.232 20 30 FGEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000619751048 714866273 /nfs/dbraw/zinc/86/62/73/714866273.db2.gz PPWYVOBSKZNXDI-VIFPVBQESA-N -1 3 365.680 3.319 20 30 FGEDHM COC(=O)c1ccc(NN=Cc2cc(Cl)c([O-])c(OC)c2)c(OC)c1 ZINC000756897789 722971519 /nfs/dbraw/zinc/97/15/19/722971519.db2.gz OQISIBCAQIQGJS-UHFFFAOYSA-N -1 3 364.785 3.295 20 30 FGEDHM C=CC[C@H]1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000628488716 716161016 /nfs/dbraw/zinc/16/10/16/716161016.db2.gz GRAXPDAFBXDKOC-NSHDSACASA-N -1 3 361.239 3.329 20 30 FGEDHM CC(C)Oc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)nc1 ZINC000774053971 723853624 /nfs/dbraw/zinc/85/36/24/723853624.db2.gz PZSUMCLJJAXSGY-ZDUSSCGKSA-N -1 3 357.797 3.483 20 30 FGEDHM COC(=O)Nc1ccc(C(=O)OCc2ccc(C#N)cc2Cl)cc1[O-] ZINC000784231009 724834701 /nfs/dbraw/zinc/83/47/01/724834701.db2.gz WAJCJZZVSUDMLZ-UHFFFAOYSA-N -1 3 360.753 3.453 20 30 FGEDHM Cc1ncc(CO)c(/C=N/CCc2ccc(Br)cc2F)c1[O-] ZINC000730950272 722472029 /nfs/dbraw/zinc/47/20/29/722472029.db2.gz CJQJUFYCTIJKNM-UFWORHAWSA-N -1 3 367.218 3.151 20 30 FGEDHM CS(=O)(=O)c1ccccc1NN=Cc1cc(Br)ccc1[O-] ZINC000731932586 722479426 /nfs/dbraw/zinc/47/94/26/722479426.db2.gz BURHLWHEMVLGOU-UHFFFAOYSA-N -1 3 369.240 3.004 20 30 FGEDHM CCOc1ccc(C2N=NC(=S)N2N=Cc2cc(F)ccc2[O-])cc1 ZINC000755604433 722954877 /nfs/dbraw/zinc/95/48/77/722954877.db2.gz NZYZSHZJUUBLCD-UHFFFAOYSA-N -1 3 358.398 3.359 20 30 FGEDHM CC(C)(C)n1cc(C#N)c([N-]C(=O)c2nc(Br)ccc2F)n1 ZINC000791620059 723265801 /nfs/dbraw/zinc/26/58/01/723265801.db2.gz DQJNNJHXEQSWEQ-UHFFFAOYSA-N -1 3 366.194 3.059 20 30 FGEDHM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)c1 ZINC000794589974 723533642 /nfs/dbraw/zinc/53/36/42/723533642.db2.gz LXKFCFKWIOURDF-UHFFFAOYSA-N -1 3 373.503 3.107 20 30 FGEDHM Cc1ccc(C=CC(=O)C(C#N)=C([O-])c2nccn2C)c(Br)c1 ZINC000770862546 723722090 /nfs/dbraw/zinc/72/20/90/723722090.db2.gz OFMSVBYDSBRGJX-URWSZGRFSA-N -1 3 372.222 3.096 20 30 FGEDHM Cc1ccc(C=CC([O-])=C(C#N)C(=O)c2nccn2C)c(Br)c1 ZINC000770862546 723722092 /nfs/dbraw/zinc/72/20/92/723722092.db2.gz OFMSVBYDSBRGJX-URWSZGRFSA-N -1 3 372.222 3.096 20 30 FGEDHM CCCCCCCCn1nc(C)c(S(=O)(=O)[N-]CC(F)F)c1C ZINC000772790027 723768101 /nfs/dbraw/zinc/76/81/01/723768101.db2.gz MTHOWUPYWLJYNS-UHFFFAOYSA-N -1 3 351.463 3.404 20 30 FGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2C[C@H]2c2ccccc2Br)c1[O-] ZINC000797399402 723812227 /nfs/dbraw/zinc/81/22/27/723812227.db2.gz XIRWAMNISJDAOC-GZGXQQDXSA-N -1 3 361.239 3.325 20 30 FGEDHM CC(C)CN1N=C(C([O-])=C(C#N)c2ncc(C(C)(C)C)s2)CCC1=O ZINC000797570548 723836460 /nfs/dbraw/zinc/83/64/60/723836460.db2.gz HIFRKLLMPJUYHJ-LBPRGKRZSA-N -1 3 360.483 3.251 20 30 FGEDHM CC(=NOC1CCOCC1)c1c[n-]c2ccc(Br)cc2c1=O ZINC000799886104 724107916 /nfs/dbraw/zinc/10/79/16/724107916.db2.gz TWLJVZQXXUXPJK-UHFFFAOYSA-N -1 3 365.227 3.210 20 30 FGEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000776279735 724127577 /nfs/dbraw/zinc/12/75/77/724127577.db2.gz MPXHZHGOIJIHBG-UHFFFAOYSA-N -1 3 365.172 3.366 20 30 FGEDHM Brc1ccc(C=N[N-]c2[nH+]cnc3[n-]cnc32)c2ncccc12 ZINC000777882861 724267576 /nfs/dbraw/zinc/26/75/76/724267576.db2.gz JDIMBEDNAUITIQ-UHFFFAOYSA-N -1 3 368.198 3.110 20 30 FGEDHM C=CCC[C@@H](C(=O)OCC(=O)[N-]C(=O)c1cccs1)c1ccccc1 ZINC000778552820 724344093 /nfs/dbraw/zinc/34/40/93/724344093.db2.gz QSTJVDVWUOPQMG-OAHLLOKOSA-N -1 3 357.431 3.298 20 30 FGEDHM COc1cc(C#N)ccc1OCCOC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC000805385438 725067979 /nfs/dbraw/zinc/06/79/79/725067979.db2.gz UMPNCBBQWSYHMK-UHFFFAOYSA-N -1 3 355.177 3.438 20 30 FGEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)c1ccc(Br)cc1 ZINC000811184466 725349286 /nfs/dbraw/zinc/34/92/86/725349286.db2.gz OHVYQSWCTSMVPU-SNVBAGLBSA-N -1 3 374.190 3.455 20 30 FGEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1c(F)cc(C(F)(F)F)cc1F ZINC000811187528 725349552 /nfs/dbraw/zinc/34/95/52/725349552.db2.gz SBSSHBDTGAGBTA-UHFFFAOYSA-N -1 3 374.191 3.051 20 30 FGEDHM N#Cc1cc([O-])cc(C(=O)OCc2ccn(-c3ccc(Cl)cc3)n2)c1 ZINC000811188639 725349811 /nfs/dbraw/zinc/34/98/11/725349811.db2.gz ROULSNALOQECAB-UHFFFAOYSA-N -1 3 353.765 3.460 20 30 FGEDHM C=CCC(C)(C)C[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000814396568 726961908 /nfs/dbraw/zinc/96/19/08/726961908.db2.gz AEHAILHQAYJDPA-UHFFFAOYSA-N -1 3 365.904 3.377 20 30 FGEDHM CC(C)(C)[C@H]1CCc2sc(C(=O)N[C@H]3CCCN([O-])C3=O)cc2C1 ZINC000816757294 727193311 /nfs/dbraw/zinc/19/33/11/727193311.db2.gz PPYJRFYVPZQXJS-STQMWFEESA-N -1 3 350.484 3.009 20 30 FGEDHM O=[N+]([O-])c1ccc(CS(=O)(=O)[N-]N=C2CC3(C2)CCCCC3)cc1 ZINC000817326654 727240272 /nfs/dbraw/zinc/24/02/72/727240272.db2.gz SMRAKUMOKLOKBQ-UHFFFAOYSA-N -1 3 351.428 3.115 20 30 FGEDHM O=C(N[C@H]1CCN([O-])C1=O)c1cc(Cl)ccc1SC1CCCC1 ZINC000820149149 728970139 /nfs/dbraw/zinc/97/01/39/728970139.db2.gz MAXURAUFKWJVTF-ZDUSSCGKSA-N -1 3 354.859 3.095 20 30 FGEDHM O=C(/C=C/c1ccc(-c2ccccc2Cl)s1)N[C@H]1CCN([O-])C1=O ZINC000820184642 728972904 /nfs/dbraw/zinc/97/29/04/728972904.db2.gz CDNQGCZNRPCQGP-OWNNVSBGSA-N -1 3 362.838 3.188 20 30 FGEDHM CCO[C@@H]1C[C@H](/N=C\c2cc(Br)ccc2[O-])[C@@H]1n1cccn1 ZINC000840706462 730164564 /nfs/dbraw/zinc/16/45/64/730164564.db2.gz MUDIBWJSQCBHOX-INQCIYFVSA-N -1 3 364.243 3.189 20 30 FGEDHM C[C@@H]1CCn2ncc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)c2C1 ZINC000842685286 730531146 /nfs/dbraw/zinc/53/11/46/730531146.db2.gz CFOZGIAYPKOOOX-NEPJUHHUSA-N -1 3 356.813 3.080 20 30 FGEDHM Cc1ncc(CO)c(/C=N\C[C@@H](O)c2ccc(Cl)c(Cl)c2)c1[O-] ZINC000852999113 731648489 /nfs/dbraw/zinc/64/84/89/731648489.db2.gz WFUOJXONGZMWSO-OZWQAGBOSA-N -1 3 355.221 3.047 20 30 FGEDHM CCCCCCCNC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000862358980 732814499 /nfs/dbraw/zinc/81/44/99/732814499.db2.gz CHLJDYCBLFHGQD-UHFFFAOYSA-N -1 3 374.453 3.106 20 30 FGEDHM CS(=O)(=O)[C@H]1CCCCC1N=Nc1nc2ccccc2[n-]c1=S ZINC000863128946 732917355 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FGEDHM COC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[n-]1 ZINC000580592498 505793156 /nfs/dbraw/zinc/79/31/56/505793156.db2.gz SMLAVYSDCWJAOA-UHFFFAOYSA-N -1 3 362.345 3.113 20 30 FGEDHM N#CCCn1ccc(NC(=O)c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC000173699260 495653414 /nfs/dbraw/zinc/65/34/14/495653414.db2.gz VLFOGCGUVPSJAA-UHFFFAOYSA-N -1 3 362.389 3.334 20 30 FGEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccnc(OCC(F)(F)F)c1 ZINC000173900977 495739422 /nfs/dbraw/zinc/73/94/22/495739422.db2.gz SCENAYDWCGASLY-LBPRGKRZSA-N -1 3 374.322 3.399 20 30 FGEDHM C#CCOc1ccc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)cc1 ZINC000160692753 496021924 /nfs/dbraw/zinc/02/19/24/496021924.db2.gz MGWJOIPUKCORKB-UHFFFAOYSA-N -1 3 359.385 3.010 20 30 FGEDHM Cc1csc(CCCC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)n1 ZINC000183637210 496056258 /nfs/dbraw/zinc/05/62/58/496056258.db2.gz ZMZQSKAQXVCMGZ-UHFFFAOYSA-N -1 3 369.899 3.278 20 30 FGEDHM CC[C@](C)([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1nccs1 ZINC000183710839 496088971 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/nfs/dbraw/zinc/66/58/52/606665852.db2.gz LVLOADODQKZJSO-UHFFFAOYSA-N -1 3 372.331 3.101 20 30 FGEDHM N#Cc1cccc(SCc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000822837680 607015968 /nfs/dbraw/zinc/01/59/68/607015968.db2.gz RMEVBSATVDITFC-UHFFFAOYSA-N -1 3 361.390 3.081 20 30 FGEDHM N#Cc1cccc(SCc2nnc(-c3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000822837680 607015969 /nfs/dbraw/zinc/01/59/69/607015969.db2.gz RMEVBSATVDITFC-UHFFFAOYSA-N -1 3 361.390 3.081 20 30 FGEDHM N#Cc1ccc(F)cc1COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000822830158 607032380 /nfs/dbraw/zinc/03/23/80/607032380.db2.gz VZPJKXOHAPJWPE-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM N#Cc1ccc(F)cc1COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000822830158 607032381 /nfs/dbraw/zinc/03/23/81/607032381.db2.gz VZPJKXOHAPJWPE-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM CCCn1nc(C)c(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1C ZINC000821148756 607111400 /nfs/dbraw/zinc/11/14/00/607111400.db2.gz PDTSYBRCVFFENY-RVDMUPIBSA-N -1 3 362.437 3.303 20 30 FGEDHM CCCn1nc(C)c(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1C ZINC000821148756 607111401 /nfs/dbraw/zinc/11/14/01/607111401.db2.gz PDTSYBRCVFFENY-RVDMUPIBSA-N -1 3 362.437 3.303 20 30 FGEDHM C(=NNc1cccc2cnccc21)c1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000819718777 607147728 /nfs/dbraw/zinc/14/77/28/607147728.db2.gz PPKAJFJWAMFLAP-UHFFFAOYSA-N -1 3 354.377 3.342 20 30 FGEDHM C(=NNc1cccc2cnccc21)c1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000819718777 607147730 /nfs/dbraw/zinc/14/77/30/607147730.db2.gz PPKAJFJWAMFLAP-UHFFFAOYSA-N -1 3 354.377 3.342 20 30 FGEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cnn(Cc2ccccc2)c1 ZINC000822929716 607151460 /nfs/dbraw/zinc/15/14/60/607151460.db2.gz XLHIZHKORYWNAL-MDZDMXLPSA-N -1 3 356.389 3.008 20 30 FGEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cnn(Cc2ccccc2)c1 ZINC000822929716 607151461 /nfs/dbraw/zinc/15/14/61/607151461.db2.gz XLHIZHKORYWNAL-MDZDMXLPSA-N -1 3 356.389 3.008 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CC2CCC1CC2 ZINC000819744204 607213701 /nfs/dbraw/zinc/21/37/01/607213701.db2.gz ZXIQCFQYPQSEGT-JFUPDXTOSA-N -1 3 366.469 3.143 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC2CCC1CC2 ZINC000819744204 607213702 /nfs/dbraw/zinc/21/37/02/607213702.db2.gz ZXIQCFQYPQSEGT-JFUPDXTOSA-N -1 3 366.469 3.143 20 30 FGEDHM Cc1ccccc1N=C1NC(=O)C(=Cc2ccccc2-c2nnn[n-]2)S1 ZINC000826307859 607883561 /nfs/dbraw/zinc/88/35/61/607883561.db2.gz ZEXNSQLXJOBHLQ-GDNBJRDFSA-N -1 3 362.418 3.067 20 30 FGEDHM Cc1ccccc1N=C1NC(=O)C(=Cc2ccccc2-c2nn[n-]n2)S1 ZINC000826307859 607883562 /nfs/dbraw/zinc/88/35/62/607883562.db2.gz ZEXNSQLXJOBHLQ-GDNBJRDFSA-N -1 3 362.418 3.067 20 30 FGEDHM N#Cc1cccc(Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)n1 ZINC000826387092 607896674 /nfs/dbraw/zinc/89/66/74/607896674.db2.gz GBECHOZNPQKSKE-UHFFFAOYSA-N -1 3 369.388 3.456 20 30 FGEDHM N#Cc1cccc(Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)n1 ZINC000826387092 607896675 /nfs/dbraw/zinc/89/66/75/607896675.db2.gz GBECHOZNPQKSKE-UHFFFAOYSA-N -1 3 369.388 3.456 20 30 FGEDHM N#Cc1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)ccc1-c1nnn[n-]1 ZINC000826384282 607926732 /nfs/dbraw/zinc/92/67/32/607926732.db2.gz OPMHAHVDNNIZDT-MELADBBJSA-N -1 3 350.426 3.283 20 30 FGEDHM N#Cc1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)ccc1-c1nn[n-]n1 ZINC000826384282 607926733 /nfs/dbraw/zinc/92/67/33/607926733.db2.gz OPMHAHVDNNIZDT-MELADBBJSA-N -1 3 350.426 3.283 20 30 FGEDHM N#Cc1cc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)ccc1-c1nnn[n-]1 ZINC000826384281 607926799 /nfs/dbraw/zinc/92/67/99/607926799.db2.gz OPMHAHVDNNIZDT-HZSPNIEDSA-N -1 3 350.426 3.283 20 30 FGEDHM N#Cc1cc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)ccc1-c1nn[n-]n1 ZINC000826384281 607926800 /nfs/dbraw/zinc/92/68/00/607926800.db2.gz OPMHAHVDNNIZDT-HZSPNIEDSA-N -1 3 350.426 3.283 20 30 FGEDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(O[C@H](C)C#N)cc1 ZINC000825782486 607975756 /nfs/dbraw/zinc/97/57/56/607975756.db2.gz FRZWITDIHYBYLQ-GFCCVEGCSA-N -1 3 359.393 3.194 20 30 FGEDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(O[C@H](C)C#N)cc1 ZINC000825782486 607975757 /nfs/dbraw/zinc/97/57/57/607975757.db2.gz FRZWITDIHYBYLQ-GFCCVEGCSA-N -1 3 359.393 3.194 20 30 FGEDHM C=C[C@@H](CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883172 607980775 /nfs/dbraw/zinc/98/07/75/607980775.db2.gz KFFXEAOWNLEMGG-AWEZNQCLSA-N -1 3 352.369 3.409 20 30 FGEDHM C=C[C@@H](CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883172 607980776 /nfs/dbraw/zinc/98/07/76/607980776.db2.gz KFFXEAOWNLEMGG-AWEZNQCLSA-N -1 3 352.369 3.409 20 30 FGEDHM COc1ccc(CSCc2ccc(C#N)cc2F)cc1-c1nnn[n-]1 ZINC000826208209 607984741 /nfs/dbraw/zinc/98/47/41/607984741.db2.gz YNIYHSQBLDTQMU-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM COc1ccc(CSCc2ccc(C#N)cc2F)cc1-c1nn[n-]n1 ZINC000826208209 607984742 /nfs/dbraw/zinc/98/47/42/607984742.db2.gz YNIYHSQBLDTQMU-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM O=C1c2ccc(Br)cc2CC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476215 608015745 /nfs/dbraw/zinc/01/57/45/608015745.db2.gz CTUKWTRQFYWQCJ-KPKJPENVSA-N -1 3 367.206 3.452 20 30 FGEDHM O=C1c2ccc(Br)cc2CC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476215 608015746 /nfs/dbraw/zinc/01/57/46/608015746.db2.gz CTUKWTRQFYWQCJ-KPKJPENVSA-N -1 3 367.206 3.452 20 30 FGEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cnccc1C ZINC000823958252 608217496 /nfs/dbraw/zinc/21/74/96/608217496.db2.gz GSXZKJFWMGEKLM-UHFFFAOYSA-N -1 3 361.331 3.425 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cnccc1C ZINC000823958252 608217498 /nfs/dbraw/zinc/21/74/98/608217498.db2.gz GSXZKJFWMGEKLM-UHFFFAOYSA-N -1 3 361.331 3.425 20 30 FGEDHM C=CCN(Cc1ccc(OC)cc1)Cc1ccc(-c2nn[n-]n2)cc1OC ZINC000823909940 608353467 /nfs/dbraw/zinc/35/34/67/608353467.db2.gz SSFFLIAJBANMRO-UHFFFAOYSA-N -1 3 365.437 3.072 20 30 FGEDHM Fc1ccc(C#CCN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826373620 608466930 /nfs/dbraw/zinc/46/69/30/608466930.db2.gz TUBQUPLAPATHSW-UHFFFAOYSA-N -1 3 359.408 3.147 20 30 FGEDHM Fc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(Cl)c1 ZINC000826373827 608536662 /nfs/dbraw/zinc/53/66/62/608536662.db2.gz AVWXQKWPHHIZAP-UHFFFAOYSA-N -1 3 352.160 3.154 20 30 FGEDHM CSCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccccc1 ZINC000826227213 608537551 /nfs/dbraw/zinc/53/75/51/608537551.db2.gz NSBWAMBVMFMLSK-UHFFFAOYSA-N -1 3 359.846 3.094 20 30 FGEDHM CSCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccccc1 ZINC000826227213 608537553 /nfs/dbraw/zinc/53/75/53/608537553.db2.gz NSBWAMBVMFMLSK-UHFFFAOYSA-N -1 3 359.846 3.094 20 30 FGEDHM N#Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1Cl ZINC000826383554 608574253 /nfs/dbraw/zinc/57/42/53/608574253.db2.gz GLVHHTSEYHMNNV-UHFFFAOYSA-N -1 3 359.176 3.297 20 30 FGEDHM N#Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1Cl ZINC000826383554 608574255 /nfs/dbraw/zinc/57/42/55/608574255.db2.gz GLVHHTSEYHMNNV-UHFFFAOYSA-N -1 3 359.176 3.297 20 30 FGEDHM C[C@H](CC#N)N(C)Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824384559 608680190 /nfs/dbraw/zinc/68/01/90/608680190.db2.gz DRSJNGBZFLMBFU-OAHLLOKOSA-N -1 3 362.437 3.180 20 30 FGEDHM C[C@H](CC#N)N(C)Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824384559 608680192 /nfs/dbraw/zinc/68/01/92/608680192.db2.gz DRSJNGBZFLMBFU-OAHLLOKOSA-N -1 3 362.437 3.180 20 30 FGEDHM CCCCCCC[C@H](C)CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825271561 609208978 /nfs/dbraw/zinc/20/89/78/609208978.db2.gz KYWZXUCWBFXJKH-YOEHRIQHSA-N -1 3 359.474 3.013 20 30 FGEDHM CCCCCCC[C@H](C)CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825271561 609208979 /nfs/dbraw/zinc/20/89/79/609208979.db2.gz KYWZXUCWBFXJKH-YOEHRIQHSA-N -1 3 359.474 3.013 20 30 FGEDHM Cc1ccc(C=NOCc2ccc(-c3nnn[n-]3)cc2Br)cc1 ZINC000826287003 609325851 /nfs/dbraw/zinc/32/58/51/609325851.db2.gz YPHUWHJIJYZSIV-UHFFFAOYSA-N -1 3 372.226 3.488 20 30 FGEDHM Cc1ccc(C=NOCc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000826287003 609325853 /nfs/dbraw/zinc/32/58/53/609325853.db2.gz YPHUWHJIJYZSIV-UHFFFAOYSA-N -1 3 372.226 3.488 20 30 FGEDHM C=C(C)CN(C)C(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000823873144 609345666 /nfs/dbraw/zinc/34/56/66/609345666.db2.gz JMEZHYHHCQYSQH-UHFFFAOYSA-N -1 3 363.421 3.094 20 30 FGEDHM C=C(C)CN(C)C(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000823873144 609345668 /nfs/dbraw/zinc/34/56/68/609345668.db2.gz JMEZHYHHCQYSQH-UHFFFAOYSA-N -1 3 363.421 3.094 20 30 FGEDHM COc1cc(C)c(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1C ZINC000826177524 609469279 /nfs/dbraw/zinc/46/92/79/609469279.db2.gz LQMJDSYHXOYXDY-UHFFFAOYSA-N -1 3 371.832 3.377 20 30 FGEDHM COc1cc(C)c(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1C ZINC000826177524 609469282 /nfs/dbraw/zinc/46/92/82/609469282.db2.gz LQMJDSYHXOYXDY-UHFFFAOYSA-N -1 3 371.832 3.377 20 30 FGEDHM Clc1cc(NN=Cc2occc2Br)ccc1-c1nnn[n-]1 ZINC000826351308 609476368 /nfs/dbraw/zinc/47/63/68/609476368.db2.gz IAALOPPCGOPGLF-UHFFFAOYSA-N -1 3 367.594 3.322 20 30 FGEDHM Clc1cc(NN=Cc2occc2Br)ccc1-c1nn[n-]n1 ZINC000826351308 609476370 /nfs/dbraw/zinc/47/63/70/609476370.db2.gz IAALOPPCGOPGLF-UHFFFAOYSA-N -1 3 367.594 3.322 20 30 FGEDHM C=CCOc1ccc(CNc2cc(-c3nnn[n-]3)ccc2OC)cc1OC ZINC000823931854 609482836 /nfs/dbraw/zinc/48/28/36/609482836.db2.gz HWIDKAPPIZKNAF-UHFFFAOYSA-N -1 3 367.409 3.061 20 30 FGEDHM C=CCOc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OC)cc1OC ZINC000823931854 609482839 /nfs/dbraw/zinc/48/28/39/609482839.db2.gz HWIDKAPPIZKNAF-UHFFFAOYSA-N -1 3 367.409 3.061 20 30 FGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)ccc1F ZINC000029051960 695708573 /nfs/dbraw/zinc/70/85/73/695708573.db2.gz VTJKVQRUQIVATD-UHFFFAOYSA-N -1 3 368.817 3.196 20 30 FGEDHM COc1ccccc1[C@H](O)C/N=C/c1cc(Br)ccc1[O-] ZINC000032070542 695741550 /nfs/dbraw/zinc/74/15/50/695741550.db2.gz OHVDNLHWMSQMGG-QANDDYDISA-N -1 3 350.212 3.316 20 30 FGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccc(C#N)nc1 ZINC000115904615 700588396 /nfs/dbraw/zinc/58/83/96/700588396.db2.gz HPXWFIQQELGALG-GFCCVEGCSA-N -1 3 359.172 3.221 20 30 FGEDHM COC(=O)CN(Cc1ccc(F)c(C#N)c1)Cc1cc(Cl)ccc1[O-] ZINC000120516095 700655839 /nfs/dbraw/zinc/65/58/39/700655839.db2.gz AYABFIGTSBWTRL-UHFFFAOYSA-N -1 3 362.788 3.232 20 30 FGEDHM COc1cc(/C=C/C(=O)c2cc(O)cc(O)c2)cc(Br)c1[O-] ZINC000152700498 704971232 /nfs/dbraw/zinc/97/12/32/704971232.db2.gz BRCDEGYUQNYDHN-NSCUHMNNSA-N -1 3 365.179 3.471 20 30 FGEDHM CC(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nn1C ZINC000177601551 705629977 /nfs/dbraw/zinc/62/99/77/705629977.db2.gz IMVWDVAGIHOFAK-LLVKDONJSA-N -1 3 362.792 3.297 20 30 FGEDHM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(OCC(F)F)cc2)c1 ZINC000619463135 714838825 /nfs/dbraw/zinc/83/88/25/714838825.db2.gz IOMWRVHLCVFGSY-UHFFFAOYSA-N -1 3 352.362 3.197 20 30 FGEDHM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)on1 ZINC000619709911 714863912 /nfs/dbraw/zinc/86/39/12/714863912.db2.gz FVDCVLNZXNFMHW-UHFFFAOYSA-N -1 3 373.356 3.167 20 30 FGEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccnn2C2CCOCC2)s1 ZINC000659114983 719859740 /nfs/dbraw/zinc/85/97/40/719859740.db2.gz KUZBZAOPFTZGOC-CYBMUJFWSA-N -1 3 358.467 3.479 20 30 FGEDHM CC(=NNCCN1CCCCC1)c1cc(Br)cc(F)c1[O-] ZINC000783827701 724794082 /nfs/dbraw/zinc/79/40/82/724794082.db2.gz PPFYNWGJNFSVRO-UHFFFAOYSA-N -1 3 358.255 3.093 20 30 FGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCCCC(C)(C)C)ccc1F ZINC000729388635 722459276 /nfs/dbraw/zinc/45/92/76/722459276.db2.gz LWOTYMUJLFQKHO-UHFFFAOYSA-N -1 3 370.490 3.236 20 30 FGEDHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(C#N)nc3)nc(=O)c2c1C ZINC000734602814 722508790 /nfs/dbraw/zinc/50/87/90/722508790.db2.gz ZXWLKUDBZVUJIA-VIFPVBQESA-N -1 3 354.391 3.198 20 30 FGEDHM CCOc1cc(/C=C/C(=O)c2nccn2C)cc(Br)c1[O-] ZINC000735793016 722519295 /nfs/dbraw/zinc/51/92/95/722519295.db2.gz PYQSCUJHJXKYCQ-SNAWJCMRSA-N -1 3 351.200 3.183 20 30 FGEDHM CCC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cc(F)ccc1F ZINC000743448381 722567559 /nfs/dbraw/zinc/56/75/59/722567559.db2.gz MNHQAQMQFCWYEJ-UHFFFAOYSA-N -1 3 352.406 3.241 20 30 FGEDHM C[C@H]1CC(=N[N-]S(=O)(=O)CCc2ccccc2)c2ccsc2S1 ZINC000743448546 722567579 /nfs/dbraw/zinc/56/75/79/722567579.db2.gz UOQFHSWKPTZRIH-LBPRGKRZSA-N -1 3 366.533 3.499 20 30 FGEDHM CCOc1cc(C=NN=C(C)c2cnccn2)cc(Br)c1[O-] ZINC000745204128 722584863 /nfs/dbraw/zinc/58/48/63/722584863.db2.gz TZPPKNUVBANSIY-UHFFFAOYSA-N -1 3 363.215 3.187 20 30 FGEDHM O=C1CN(N=Cc2nc(-c3cc(Cl)ccc3Cl)cs2)C(=O)[N-]1 ZINC000755611704 722954959 /nfs/dbraw/zinc/95/49/59/722954959.db2.gz OZFHHMRAVLHSMQ-UHFFFAOYSA-N -1 3 355.206 3.003 20 30 FGEDHM [O-]c1c(O)cc(C=Nn2cnnc2-c2ccccc2)cc1Br ZINC000757564750 722977029 /nfs/dbraw/zinc/97/70/29/722977029.db2.gz LQAGFMLOURYYDA-UHFFFAOYSA-N -1 3 359.183 3.001 20 30 FGEDHM [O-]c1c(O)cc(CN=Nc2ncnc3sccc32)cc1Br ZINC000757568724 722977070 /nfs/dbraw/zinc/97/70/70/722977070.db2.gz MFYQILQBGJVEEG-UHFFFAOYSA-N -1 3 365.212 3.311 20 30 FGEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1c(F)cccc1Br ZINC000794496255 723527981 /nfs/dbraw/zinc/52/79/81/723527981.db2.gz FLJPVDYBMMTAAZ-UHFFFAOYSA-N -1 3 371.231 3.042 20 30 FGEDHM COc1ccc(CS(C)(=O)=O)cc1N=Cc1cc(Cl)ccc1[O-] ZINC000794676869 723540380 /nfs/dbraw/zinc/54/03/80/723540380.db2.gz QNVRWUSWGXRWHV-UHFFFAOYSA-N -1 3 353.827 3.349 20 30 FGEDHM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000796096225 723620700 /nfs/dbraw/zinc/62/07/00/723620700.db2.gz BBXTXVOEWITKJK-CYBMUJFWSA-N -1 3 369.273 3.301 20 30 FGEDHM COC(=O)N1CCC[C@H]([C@H](C)/N=C\c2cc(Br)ccc2[O-])C1 ZINC000773906055 723837618 /nfs/dbraw/zinc/83/76/18/723837618.db2.gz NYGFRAXPPGXGMI-WHFZNLJQSA-N -1 3 369.259 3.441 20 30 FGEDHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1 ZINC000800033812 724132499 /nfs/dbraw/zinc/13/24/99/724132499.db2.gz JNAGRXVQTHDMJJ-UHFFFAOYSA-N -1 3 369.368 3.444 20 30 FGEDHM N#Cc1c(F)cccc1S(=O)(=O)[N-]C[C@@H](c1ccccc1)C(F)(F)F ZINC000776802839 724184683 /nfs/dbraw/zinc/18/46/83/724184683.db2.gz QRXGEDIFWDWGQU-ZDUSSCGKSA-N -1 3 372.343 3.322 20 30 FGEDHM O=C(COc1ccccc1)N1CC[C@@H](/N=C\c2cc(Cl)ccc2[O-])C1 ZINC000800791022 724228341 /nfs/dbraw/zinc/22/83/41/724228341.db2.gz YQUXZAJQFZQRPK-NBZOHKLQSA-N -1 3 358.825 3.144 20 30 FGEDHM C#CCN(Cc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000806988753 725150576 /nfs/dbraw/zinc/15/05/76/725150576.db2.gz QLPSGRZVKIIZJQ-UHFFFAOYSA-N -1 3 373.250 3.500 20 30 FGEDHM 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FGEDHM CC[C@@](C)(C#N)C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000493975090 503468737 /nfs/dbraw/zinc/46/87/37/503468737.db2.gz AREMJHYXXUBHNR-HNNXBMFYSA-N -1 3 365.206 3.279 20 30 FGEDHM CSc1ccc(-c2nsc([N-]C(=O)c3cc(C#N)ccn3)n2)cc1 ZINC000499844451 503493456 /nfs/dbraw/zinc/49/34/56/503493456.db2.gz CTDLWPHBRULIGD-UHFFFAOYSA-N -1 3 353.432 3.446 20 30 FGEDHM COC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1cccc(Cl)c1 ZINC000516870887 503605286 /nfs/dbraw/zinc/60/52/86/503605286.db2.gz QOVARTCDSRSXGQ-MRXNPFEDSA-N -1 3 370.902 3.421 20 30 FGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]CCc1ccc(F)c(F)c1 ZINC000527041824 503654370 /nfs/dbraw/zinc/65/43/70/503654370.db2.gz XFHLACFCXDMWSR-UHFFFAOYSA-N -1 3 356.781 3.011 20 30 FGEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000527043305 503655060 /nfs/dbraw/zinc/65/50/60/503655060.db2.gz UOVXGVKUMRLJQA-CQSZACIVSA-N -1 3 356.875 3.489 20 30 FGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc4nnc(C(C)(C)C)n4c3)nc1-2 ZINC000546686408 503839243 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C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1nc(-c2ccccc2)cs1 ZINC000561504698 505363202 /nfs/dbraw/zinc/36/32/02/505363202.db2.gz PMDQNSXHHMQJKV-LLVKDONJSA-N -1 3 359.432 3.314 20 30 FGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)o1)c1nc(-c2ccccc2)cs1 ZINC000561504703 505363258 /nfs/dbraw/zinc/36/32/58/505363258.db2.gz PMDQNSXHHMQJKV-NSHDSACASA-N -1 3 359.432 3.314 20 30 FGEDHM C=CCC[C@H](NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1ccco1 ZINC000552056568 505383690 /nfs/dbraw/zinc/38/36/90/505383690.db2.gz JBCYOIWDVHETED-HNNXBMFYSA-N -1 3 370.421 3.133 20 30 FGEDHM O=C(Cc1ccc(Br)cc1[O-])NCC#Cc1cccc(F)c1 ZINC000555335913 505410548 /nfs/dbraw/zinc/41/05/48/505410548.db2.gz DKYILBDSCKBXPX-UHFFFAOYSA-N -1 3 362.198 3.004 20 30 FGEDHM C=CCCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1OC ZINC000567423282 505457669 /nfs/dbraw/zinc/45/76/69/505457669.db2.gz IQKPZLWTPJPSDD-LLVKDONJSA-N -1 3 374.890 3.330 20 30 FGEDHM CC#CCN(C)C(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000564605957 505467816 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CCOc1ccccc1[C@@H](CC)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593539803 506678446 /nfs/dbraw/zinc/67/84/46/506678446.db2.gz HFCMOFLWHMVHIS-CYBMUJFWSA-N -1 3 350.465 3.448 20 30 FGEDHM CO[C@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)c1ccsc1C#N ZINC000593573983 506689865 /nfs/dbraw/zinc/68/98/65/506689865.db2.gz WPGFYQWSPGJLDO-BONVTDFDSA-N -1 3 370.883 3.328 20 30 FGEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCCOc2c(Cl)cccc21 ZINC000593574001 506689876 /nfs/dbraw/zinc/68/98/76/506689876.db2.gz WRYHTADEULGBIR-LBPRGKRZSA-N -1 3 368.867 3.465 20 30 FGEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCCc2c(F)cc(F)cc21 ZINC000593602049 506698779 /nfs/dbraw/zinc/69/87/79/506698779.db2.gz BIXKFBRVLHKMEZ-ZDUSSCGKSA-N -1 3 354.403 3.254 20 30 FGEDHM N#CC1(C[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCCC1 ZINC000593620016 506706151 /nfs/dbraw/zinc/70/61/51/506706151.db2.gz KDFOHPHPZXDNRH-UHFFFAOYSA-N -1 3 350.337 3.207 20 30 FGEDHM CCC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccn1 ZINC000609180029 506804308 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/nfs/dbraw/zinc/36/35/81/507363581.db2.gz OYAWSJJYLXHODX-CYBMUJFWSA-N -1 3 369.368 3.402 20 30 FGEDHM CC(C)(CC#N)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000592056469 507468742 /nfs/dbraw/zinc/46/87/42/507468742.db2.gz XEJDOIJMXJIEGQ-UHFFFAOYSA-N -1 3 370.780 3.457 20 30 FGEDHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)CC(F)(F)F ZINC000595416448 507486397 /nfs/dbraw/zinc/48/63/97/507486397.db2.gz BPXYMPTYYGUAGA-UHFFFAOYSA-N -1 3 354.781 3.469 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](CF)c1ccc(F)cc1 ZINC000602212404 507628424 /nfs/dbraw/zinc/62/84/24/507628424.db2.gz IJYQVVIZFNTKNF-QGZVFWFLSA-N -1 3 359.376 3.174 20 30 FGEDHM Cc1cnc2nc(C(=O)[N-]c3sc4c(c3C#N)C[C@H](C)C[C@H]4C)nn2c1 ZINC000598838214 507630234 /nfs/dbraw/zinc/63/02/34/507630234.db2.gz LFOZIISUNOQTMX-MWLCHTKSSA-N -1 3 366.450 3.304 20 30 FGEDHM COC(=O)COc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000592399065 507640560 /nfs/dbraw/zinc/64/05/60/507640560.db2.gz KUPXSNHPVFXQTC-AWEZNQCLSA-N -1 3 356.403 3.062 20 30 FGEDHM COC(=O)c1cc(Cl)cc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c1[O-] ZINC000588099515 507763144 /nfs/dbraw/zinc/76/31/44/507763144.db2.gz YMFKHLFYBZRVFC-JTQLQIEISA-N -1 3 374.780 3.110 20 30 FGEDHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)N1CC[C@H]2CCC[C@@H]21 ZINC000330328106 568244942 /nfs/dbraw/zinc/24/49/42/568244942.db2.gz VWSKATGPNJYSLL-WBMJQRKESA-N -1 3 371.462 3.429 20 30 FGEDHM N#Cc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1-c1nnn[n-]1 ZINC000737716218 598915853 /nfs/dbraw/zinc/91/58/53/598915853.db2.gz MYEKOZNNAOWOSB-UHFFFAOYSA-N -1 3 373.203 3.226 20 30 FGEDHM N#Cc1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000737716218 598915854 /nfs/dbraw/zinc/91/58/54/598915854.db2.gz MYEKOZNNAOWOSB-UHFFFAOYSA-N -1 3 373.203 3.226 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1-c1nnn[n-]1 ZINC000737719909 598917807 /nfs/dbraw/zinc/91/78/07/598917807.db2.gz WYRBTKMTHNCRFV-UHFFFAOYSA-N -1 3 364.752 3.390 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1-c1nn[n-]n1 ZINC000737719909 598917809 /nfs/dbraw/zinc/91/78/09/598917809.db2.gz WYRBTKMTHNCRFV-UHFFFAOYSA-N -1 3 364.752 3.390 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1-c1nnn[n-]1 ZINC000737718906 598918866 /nfs/dbraw/zinc/91/88/66/598918866.db2.gz NSNUYSZSXQSGCQ-UHFFFAOYSA-N -1 3 359.176 3.297 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1-c1nn[n-]n1 ZINC000737718906 598918868 /nfs/dbraw/zinc/91/88/68/598918868.db2.gz NSNUYSZSXQSGCQ-UHFFFAOYSA-N -1 3 359.176 3.297 20 30 FGEDHM N#Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)cc1-c1nnn[n-]1 ZINC000737718592 598921950 /nfs/dbraw/zinc/92/19/50/598921950.db2.gz NUHCAJSPBONPSK-UHFFFAOYSA-N -1 3 364.796 3.062 20 30 FGEDHM N#Cc1ccc(NC(=O)C2(c3cccc(Cl)c3)CC2)cc1-c1nn[n-]n1 ZINC000737718592 598921952 /nfs/dbraw/zinc/92/19/52/598921952.db2.gz NUHCAJSPBONPSK-UHFFFAOYSA-N -1 3 364.796 3.062 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)c1ccc(C)o1 ZINC000819743442 599144955 /nfs/dbraw/zinc/14/49/55/599144955.db2.gz JROXYETYOKAAIR-AWEZNQCLSA-N -1 3 351.410 3.086 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)c1ccc(C)o1 ZINC000819743442 599144960 /nfs/dbraw/zinc/14/49/60/599144960.db2.gz JROXYETYOKAAIR-AWEZNQCLSA-N -1 3 351.410 3.086 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)c1ccc(C)o1 ZINC000819743444 599145478 /nfs/dbraw/zinc/14/54/78/599145478.db2.gz JROXYETYOKAAIR-CQSZACIVSA-N -1 3 351.410 3.086 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)c1ccc(C)o1 ZINC000819743444 599145480 /nfs/dbraw/zinc/14/54/80/599145480.db2.gz JROXYETYOKAAIR-CQSZACIVSA-N -1 3 351.410 3.086 20 30 FGEDHM N#Cc1ccc(-c2nnc(CSc3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000737710977 599164660 /nfs/dbraw/zinc/16/46/60/599164660.db2.gz XLKVYEFLDUYRCA-UHFFFAOYSA-N -1 3 361.390 3.081 20 30 FGEDHM N#Cc1ccc(-c2nnc(CSc3ccc(-c4nn[n-]n4)cc3)o2)cc1 ZINC000737710977 599164663 /nfs/dbraw/zinc/16/46/63/599164663.db2.gz XLKVYEFLDUYRCA-UHFFFAOYSA-N -1 3 361.390 3.081 20 30 FGEDHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1cccc(Cl)c1 ZINC000735550448 599196911 /nfs/dbraw/zinc/19/69/11/599196911.db2.gz IEPUSJBCNJRLNV-SNVBAGLBSA-N -1 3 352.785 3.134 20 30 FGEDHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1cccc(Cl)c1 ZINC000735550448 599196913 /nfs/dbraw/zinc/19/69/13/599196913.db2.gz IEPUSJBCNJRLNV-SNVBAGLBSA-N -1 3 352.785 3.134 20 30 FGEDHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1Nc1nccnc1C#N ZINC000737281364 598348438 /nfs/dbraw/zinc/34/84/38/598348438.db2.gz WWLFSWHPKRYEGI-UHFFFAOYSA-N -1 3 370.376 3.373 20 30 FGEDHM N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737706193 598446114 /nfs/dbraw/zinc/44/61/14/598446114.db2.gz WOYQRLWVWXAJGV-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM N#Cc1cc(-c2ccccc2)sc1NC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737706193 598446115 /nfs/dbraw/zinc/44/61/15/598446115.db2.gz WOYQRLWVWXAJGV-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)c1ccccc1F ZINC000735419380 598552564 /nfs/dbraw/zinc/55/25/64/598552564.db2.gz SFESFGDMMVIULM-CQSZACIVSA-N -1 3 365.412 3.324 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)c1ccccc1F ZINC000735419380 598552566 /nfs/dbraw/zinc/55/25/66/598552566.db2.gz SFESFGDMMVIULM-CQSZACIVSA-N -1 3 365.412 3.324 20 30 FGEDHM CCN(CC)c1ccc(C=Nc2ccc(F)c(-c3nnn[n-]3)c2)c(O)c1 ZINC000736532406 598580565 /nfs/dbraw/zinc/58/05/65/598580565.db2.gz QRCBJOGMRHDYFN-UHFFFAOYSA-N -1 3 354.389 3.308 20 30 FGEDHM CCN(CC)c1ccc(C=Nc2ccc(F)c(-c3nn[n-]n3)c2)c(O)c1 ZINC000736532406 598580566 /nfs/dbraw/zinc/58/05/66/598580566.db2.gz QRCBJOGMRHDYFN-UHFFFAOYSA-N -1 3 354.389 3.308 20 30 FGEDHM CCN(Cc1ccc(F)cc1C#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736557755 598679639 /nfs/dbraw/zinc/67/96/39/598679639.db2.gz AAIOCHMRHDJCEK-ZDUSSCGKSA-N -1 3 350.401 3.461 20 30 FGEDHM COCCC(Cc1cccc(F)c1)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000736978862 598787747 /nfs/dbraw/zinc/78/77/47/598787747.db2.gz NODSBKIRQNTOSU-UHFFFAOYSA-N -1 3 354.389 3.053 20 30 FGEDHM COCCC(Cc1cccc(F)c1)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000736978862 598787749 /nfs/dbraw/zinc/78/77/49/598787749.db2.gz NODSBKIRQNTOSU-UHFFFAOYSA-N -1 3 354.389 3.053 20 30 FGEDHM C=CCN(CC=C)C(=O)[C@H](C)S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735419257 599326888 /nfs/dbraw/zinc/32/68/88/599326888.db2.gz QZLNEQLIBDQSMI-KGLIPLIRSA-N -1 3 357.483 3.250 20 30 FGEDHM C=CCN(CC=C)C(=O)[C@H](C)S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735419257 599326892 /nfs/dbraw/zinc/32/68/92/599326892.db2.gz QZLNEQLIBDQSMI-KGLIPLIRSA-N -1 3 357.483 3.250 20 30 FGEDHM N#Cc1ccccc1SCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822842727 599344013 /nfs/dbraw/zinc/34/40/13/599344013.db2.gz VSNBCEYXVKPPBF-UHFFFAOYSA-N -1 3 361.390 3.081 20 30 FGEDHM N#Cc1ccccc1SCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822842727 599344017 /nfs/dbraw/zinc/34/40/17/599344017.db2.gz VSNBCEYXVKPPBF-UHFFFAOYSA-N -1 3 361.390 3.081 20 30 FGEDHM CSc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000737193337 599461284 /nfs/dbraw/zinc/46/12/84/599461284.db2.gz PSFNLYWOXXQOGS-YVMONPNESA-N -1 3 362.418 3.132 20 30 FGEDHM CSc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000737193337 599461286 /nfs/dbraw/zinc/46/12/86/599461286.db2.gz PSFNLYWOXXQOGS-YVMONPNESA-N -1 3 362.418 3.132 20 30 FGEDHM C=CCOc1ccccc1CNc1c(-c2nnn[n-]2)cnc2c(C)cccc21 ZINC000819759275 599549578 /nfs/dbraw/zinc/54/95/78/599549578.db2.gz RIWCWFNQDHRHCP-UHFFFAOYSA-N -1 3 372.432 3.322 20 30 FGEDHM C=CCOc1ccccc1CNc1c(-c2nn[n-]n2)cnc2c(C)cccc21 ZINC000819759275 599549579 /nfs/dbraw/zinc/54/95/79/599549579.db2.gz RIWCWFNQDHRHCP-UHFFFAOYSA-N -1 3 372.432 3.322 20 30 FGEDHM CCC(CC)(C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000820882026 599632058 /nfs/dbraw/zinc/63/20/58/599632058.db2.gz IAPSBINCVWOVNR-UHFFFAOYSA-N -1 3 360.421 3.435 20 30 FGEDHM CCC(CC)(C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000820882026 599632059 /nfs/dbraw/zinc/63/20/59/599632059.db2.gz IAPSBINCVWOVNR-UHFFFAOYSA-N -1 3 360.421 3.435 20 30 FGEDHM Cc1cc(C(F)(F)F)c(-c2nnn[n-]2)c(SCCCSCC#N)n1 ZINC000822191322 599690121 /nfs/dbraw/zinc/69/01/21/599690121.db2.gz IHUGTVHBQHQBFX-UHFFFAOYSA-N -1 3 374.417 3.328 20 30 FGEDHM N#Cc1ccc(OC2CCN([C@H](C(=O)[O-])c3ccc(F)cc3)CC2)cc1 ZINC000739128990 600103878 /nfs/dbraw/zinc/10/38/78/600103878.db2.gz NHDMEPCMALAIJP-IBGZPJMESA-N -1 3 354.381 3.366 20 30 FGEDHM CCc1c(C)sc(NC(=O)c2ccc(C#N)cc2C)c1-c1nnn[n-]1 ZINC000825687416 607431739 /nfs/dbraw/zinc/43/17/39/607431739.db2.gz JBXDFCCMHPKLDW-UHFFFAOYSA-N -1 3 352.423 3.231 20 30 FGEDHM CCc1c(C)sc(NC(=O)c2ccc(C#N)cc2C)c1-c1nn[n-]n1 ZINC000825687416 607431740 /nfs/dbraw/zinc/43/17/40/607431740.db2.gz JBXDFCCMHPKLDW-UHFFFAOYSA-N -1 3 352.423 3.231 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cccc1[N+](=O)[O-] ZINC000822015937 607460000 /nfs/dbraw/zinc/46/00/00/607460000.db2.gz QXJMMJGGLFQUMT-BQYQJAHWSA-N -1 3 353.313 3.119 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cccc1[N+](=O)[O-] ZINC000822015937 607460002 /nfs/dbraw/zinc/46/00/02/607460002.db2.gz QXJMMJGGLFQUMT-BQYQJAHWSA-N -1 3 353.313 3.119 20 30 FGEDHM C=CCc1cc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc(OC)c1OC ZINC000825705662 601302585 /nfs/dbraw/zinc/30/25/85/601302585.db2.gz QESBZVWPZTWTSX-IBGZPJMESA-N -1 3 366.417 3.219 20 30 FGEDHM COc1ccc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826194906 607509108 /nfs/dbraw/zinc/50/91/08/607509108.db2.gz ZLWYKKPQRFQEEA-OALUTQOASA-N -1 3 374.448 3.147 20 30 FGEDHM COc1ccc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826194906 607509109 /nfs/dbraw/zinc/50/91/09/607509109.db2.gz ZLWYKKPQRFQEEA-OALUTQOASA-N -1 3 374.448 3.147 20 30 FGEDHM Cc1cc([C@@H](C)N2CCCN(Cc3ccc(C#N)cc3)CC2)oc1C(=O)[O-] ZINC000832870570 604382430 /nfs/dbraw/zinc/38/24/30/604382430.db2.gz KHMMXFQYZZAQKY-MRXNPFEDSA-N -1 3 367.449 3.427 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000826245317 607698097 /nfs/dbraw/zinc/69/80/97/607698097.db2.gz UNXVTHHKCQILKJ-OALUTQOASA-N -1 3 372.432 3.087 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000826245317 607698098 /nfs/dbraw/zinc/69/80/98/607698098.db2.gz UNXVTHHKCQILKJ-OALUTQOASA-N -1 3 372.432 3.087 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000826250160 607711329 /nfs/dbraw/zinc/71/13/29/607711329.db2.gz NNIPMBUIDUCMRP-UHFFFAOYSA-N -1 3 362.393 3.086 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000826250160 607711331 /nfs/dbraw/zinc/71/13/31/607711331.db2.gz NNIPMBUIDUCMRP-UHFFFAOYSA-N -1 3 362.393 3.086 20 30 FGEDHM N#Cc1ccc(CN2C[C@@H]3CCC[C@@H](NC(=O)[O-])[C@@H]3C2)c(OC(F)F)c1 ZINC000833972107 605447530 /nfs/dbraw/zinc/44/75/30/605447530.db2.gz VELCUJUXFLKCKN-NWANDNLSSA-N -1 3 365.380 3.028 20 30 FGEDHM CC(C)[C@@H](C#N)OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820015734 606205048 /nfs/dbraw/zinc/20/50/48/606205048.db2.gz GAEAFOHQTMNFIH-QGZVFWFLSA-N -1 3 363.377 3.364 20 30 FGEDHM CC(C)[C@@H](C#N)OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820015734 606205050 /nfs/dbraw/zinc/20/50/50/606205050.db2.gz GAEAFOHQTMNFIH-QGZVFWFLSA-N -1 3 363.377 3.364 20 30 FGEDHM Cc1nccn1-c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822479030 606339891 /nfs/dbraw/zinc/33/98/91/606339891.db2.gz XSXKUJRIEFUVQH-VURMDHGXSA-N -1 3 362.418 3.318 20 30 FGEDHM Cc1nccn1-c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822479030 606339892 /nfs/dbraw/zinc/33/98/92/606339892.db2.gz XSXKUJRIEFUVQH-VURMDHGXSA-N -1 3 362.418 3.318 20 30 FGEDHM Clc1ccc(-c2noc(N=NCc3ccc(-c4nnn[n-]4)s3)n2)cc1 ZINC000822573550 606370871 /nfs/dbraw/zinc/37/08/71/606370871.db2.gz AHXYKEGCGXDFSS-UHFFFAOYSA-N -1 3 372.801 3.078 20 30 FGEDHM C[C@@H](CC#N)OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820220288 606396431 /nfs/dbraw/zinc/39/64/31/606396431.db2.gz QCTWKTVMVVGPRI-LBPRGKRZSA-N -1 3 365.418 3.477 20 30 FGEDHM C[C@@H](CC#N)OC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820220288 606396433 /nfs/dbraw/zinc/39/64/33/606396433.db2.gz QCTWKTVMVVGPRI-LBPRGKRZSA-N -1 3 365.418 3.477 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822801762 606436872 /nfs/dbraw/zinc/43/68/72/606436872.db2.gz OCUDGVGCFJHFPL-MSOLQXFVSA-N -1 3 373.420 3.170 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822801762 606436874 /nfs/dbraw/zinc/43/68/74/606436874.db2.gz OCUDGVGCFJHFPL-MSOLQXFVSA-N -1 3 373.420 3.170 20 30 FGEDHM N#Cc1csc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCCC3)c1 ZINC000822845930 606478417 /nfs/dbraw/zinc/47/84/17/606478417.db2.gz JBVZZSDKFBQCBJ-UHFFFAOYSA-N -1 3 370.463 3.383 20 30 FGEDHM N#Cc1csc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCCC3)c1 ZINC000822845930 606478419 /nfs/dbraw/zinc/47/84/19/606478419.db2.gz JBVZZSDKFBQCBJ-UHFFFAOYSA-N -1 3 370.463 3.383 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(Cc2ccccc2)CC1 ZINC000819743737 606498424 /nfs/dbraw/zinc/49/84/24/606498424.db2.gz PLHSXOGVKQWAID-UHFFFAOYSA-N -1 3 373.460 3.404 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(Cc2ccccc2)CC1 ZINC000819743737 606498426 /nfs/dbraw/zinc/49/84/26/606498426.db2.gz PLHSXOGVKQWAID-UHFFFAOYSA-N -1 3 373.460 3.404 20 30 FGEDHM C=CCN(CC1CCCCC1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819740114 606678667 /nfs/dbraw/zinc/67/86/67/606678667.db2.gz PPUWMGXIYYPROB-UHFFFAOYSA-N -1 3 361.396 3.353 20 30 FGEDHM C=CCN(CC1CCCCC1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819740114 606678668 /nfs/dbraw/zinc/67/86/68/606678668.db2.gz PPUWMGXIYYPROB-UHFFFAOYSA-N -1 3 361.396 3.353 20 30 FGEDHM O=C1c2ccc(Br)cc2OC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823503804 606763797 /nfs/dbraw/zinc/76/37/97/606763797.db2.gz IXYURACDJZWYMF-VGOFMYFVSA-N -1 3 369.178 3.245 20 30 FGEDHM O=C1c2ccc(Br)cc2OC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823503804 606763799 /nfs/dbraw/zinc/76/37/99/606763799.db2.gz IXYURACDJZWYMF-VGOFMYFVSA-N -1 3 369.178 3.245 20 30 FGEDHM C=C[C@@H](C)NC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000819729070 606814770 /nfs/dbraw/zinc/81/47/70/606814770.db2.gz BJUAEHNMZOTNFR-CYBMUJFWSA-N -1 3 365.462 3.463 20 30 FGEDHM C=C[C@@H](C)NC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000819729070 606814772 /nfs/dbraw/zinc/81/47/72/606814772.db2.gz BJUAEHNMZOTNFR-CYBMUJFWSA-N -1 3 365.462 3.463 20 30 FGEDHM CC[C@H](C#N)OC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000820843240 606840317 /nfs/dbraw/zinc/84/03/17/606840317.db2.gz WAIOCFQWLAWLCQ-OAHLLOKOSA-N -1 3 363.377 3.426 20 30 FGEDHM CC[C@H](C#N)OC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000820843240 606840318 /nfs/dbraw/zinc/84/03/18/606840318.db2.gz WAIOCFQWLAWLCQ-OAHLLOKOSA-N -1 3 363.377 3.426 20 30 FGEDHM C=CCN(Cc1ccn(C2CCCC2)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745625 606888425 /nfs/dbraw/zinc/88/84/25/606888425.db2.gz MPJFSUGPXTZUGB-UHFFFAOYSA-N -1 3 363.469 3.367 20 30 FGEDHM C=CCN(Cc1ccn(C2CCCC2)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819745625 606888427 /nfs/dbraw/zinc/88/84/27/606888427.db2.gz MPJFSUGPXTZUGB-UHFFFAOYSA-N -1 3 363.469 3.367 20 30 FGEDHM Cc1c2c(nc(SCc3ccc(F)c(C#N)c3)c1-c1nnn[n-]1)CCC2 ZINC000822129590 607006669 /nfs/dbraw/zinc/00/66/69/607006669.db2.gz MHGHUEROTRHRCM-UHFFFAOYSA-N -1 3 366.425 3.362 20 30 FGEDHM Cc1c2c(nc(SCc3ccc(F)c(C#N)c3)c1-c1nn[n-]n1)CCC2 ZINC000822129590 607006671 /nfs/dbraw/zinc/00/66/71/607006671.db2.gz MHGHUEROTRHRCM-UHFFFAOYSA-N -1 3 366.425 3.362 20 30 FGEDHM N#Cc1ccc(F)c(COc2ccc(Br)cc2-c2nn[n-]n2)c1 ZINC000822830066 607042288 /nfs/dbraw/zinc/04/22/88/607042288.db2.gz TYAAFGKTMPVHHF-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM N#Cc1ccc(F)c(COc2ccc(Br)cc2-c2nnn[n-]2)c1 ZINC000822830066 607042287 /nfs/dbraw/zinc/04/22/87/607042287.db2.gz TYAAFGKTMPVHHF-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM O=C(/C=C/c1c(C2CC2)nc2sccn12)c1ccc(-c2nn[n-]n2)cc1 ZINC000822924285 607185542 /nfs/dbraw/zinc/18/55/42/607185542.db2.gz ZXPSUWWYONVYRK-BQYQJAHWSA-N -1 3 362.418 3.349 20 30 FGEDHM O=C(C=Cc1cc(O)ccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000822923340 607252250 /nfs/dbraw/zinc/25/22/50/607252250.db2.gz QDAMVDYBYUMACW-DAXSKMNVSA-N -1 3 371.194 3.231 20 30 FGEDHM O=C(C=Cc1cc(O)ccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000822923340 607252251 /nfs/dbraw/zinc/25/22/51/607252251.db2.gz QDAMVDYBYUMACW-DAXSKMNVSA-N -1 3 371.194 3.231 20 30 FGEDHM CC1(C)C[C@@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000824796232 607806195 /nfs/dbraw/zinc/80/61/95/607806195.db2.gz NIDCWDBMKVMTSJ-QWHCGFSZSA-N -1 3 364.434 3.213 20 30 FGEDHM CC1(C)C[C@@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000824796232 607806196 /nfs/dbraw/zinc/80/61/96/607806196.db2.gz NIDCWDBMKVMTSJ-QWHCGFSZSA-N -1 3 364.434 3.213 20 30 FGEDHM N#Cc1ccc([C@H](O)CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826384929 607842949 /nfs/dbraw/zinc/84/29/49/607842949.db2.gz PJPDUZDGOQWYSM-CQSZACIVSA-N -1 3 357.826 3.217 20 30 FGEDHM N#Cc1ccc([C@H](O)CSc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826384929 607842950 /nfs/dbraw/zinc/84/29/50/607842950.db2.gz PJPDUZDGOQWYSM-CQSZACIVSA-N -1 3 357.826 3.217 20 30 FGEDHM CCN(C(=O)c1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385618 607878068 /nfs/dbraw/zinc/87/80/68/607878068.db2.gz OAPRLMASMBZWEA-UHFFFAOYSA-N -1 3 352.785 3.058 20 30 FGEDHM CCN(C(=O)c1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385618 607878069 /nfs/dbraw/zinc/87/80/69/607878069.db2.gz OAPRLMASMBZWEA-UHFFFAOYSA-N -1 3 352.785 3.058 20 30 FGEDHM Cc1ccccc1N=C1NC(=O)C(=Cc2ccccc2-c2nnn[n-]2)S1 ZINC000826307860 607883546 /nfs/dbraw/zinc/88/35/46/607883546.db2.gz ZEXNSQLXJOBHLQ-XNTDXEJSSA-N -1 3 362.418 3.067 20 30 FGEDHM Cc1ccccc1N=C1NC(=O)C(=Cc2ccccc2-c2nn[n-]n2)S1 ZINC000826307860 607883547 /nfs/dbraw/zinc/88/35/47/607883547.db2.gz ZEXNSQLXJOBHLQ-XNTDXEJSSA-N -1 3 362.418 3.067 20 30 FGEDHM C#CC[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000823838635 607961246 /nfs/dbraw/zinc/96/12/46/607961246.db2.gz SGCLWARPCXZUKU-HNNXBMFYSA-N -1 3 366.812 3.406 20 30 FGEDHM C#CC[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000823838635 607961247 /nfs/dbraw/zinc/96/12/47/607961247.db2.gz SGCLWARPCXZUKU-HNNXBMFYSA-N -1 3 366.812 3.406 20 30 FGEDHM CCN(C(=O)c1ccc(CC#N)cc1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379273 607978363 /nfs/dbraw/zinc/97/83/63/607978363.db2.gz FQVZGYZUAJCKCM-AWEZNQCLSA-N -1 3 360.421 3.156 20 30 FGEDHM CCN(C(=O)c1ccc(CC#N)cc1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379273 607978364 /nfs/dbraw/zinc/97/83/64/607978364.db2.gz FQVZGYZUAJCKCM-AWEZNQCLSA-N -1 3 360.421 3.156 20 30 FGEDHM C=C[C@@H](CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823882980 607980607 /nfs/dbraw/zinc/98/06/07/607980607.db2.gz HLUVTNXGAVXNJN-HNNXBMFYSA-N -1 3 364.405 3.149 20 30 FGEDHM N#CCc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000826382051 608005797 /nfs/dbraw/zinc/00/57/97/608005797.db2.gz MLFVZZUKLXTEPM-UHFFFAOYSA-N -1 3 372.310 3.204 20 30 FGEDHM N#CCc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000826382051 608005798 /nfs/dbraw/zinc/00/57/98/608005798.db2.gz MLFVZZUKLXTEPM-UHFFFAOYSA-N -1 3 372.310 3.204 20 30 FGEDHM C#CCOC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000823849963 608059271 /nfs/dbraw/zinc/05/92/71/608059271.db2.gz FEBDZYQLFWWFNJ-UHFFFAOYSA-N -1 3 354.753 3.102 20 30 FGEDHM C#CCOC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000823849963 608059272 /nfs/dbraw/zinc/05/92/72/608059272.db2.gz FEBDZYQLFWWFNJ-UHFFFAOYSA-N -1 3 354.753 3.102 20 30 FGEDHM C=C(C)CNC(=S)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823877978 608288934 /nfs/dbraw/zinc/28/89/34/608288934.db2.gz LKGGNAQQHATAPA-UHFFFAOYSA-N -1 3 364.478 3.074 20 30 FGEDHM C=C(C)CNC(=S)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823877978 608288935 /nfs/dbraw/zinc/28/89/35/608288935.db2.gz LKGGNAQQHATAPA-UHFFFAOYSA-N -1 3 364.478 3.074 20 30 FGEDHM C=C(C)[C@@H](CC(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1)OCC ZINC000823874871 608341519 /nfs/dbraw/zinc/34/15/19/608341519.db2.gz ZUCDMKYIYBTVCM-OAHLLOKOSA-N -1 3 363.849 3.244 20 30 FGEDHM C=C(C)[C@@H](CC(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1)OCC ZINC000823874871 608341521 /nfs/dbraw/zinc/34/15/21/608341521.db2.gz ZUCDMKYIYBTVCM-OAHLLOKOSA-N -1 3 363.849 3.244 20 30 FGEDHM CCN(C(=O)c1sccc1C#N)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825390969 608344120 /nfs/dbraw/zinc/34/41/20/608344120.db2.gz QVWPAUKMVAJGHB-UHFFFAOYSA-N -1 3 358.814 3.120 20 30 FGEDHM CCN(C(=O)c1sccc1C#N)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825390969 608344121 /nfs/dbraw/zinc/34/41/21/608344121.db2.gz QVWPAUKMVAJGHB-UHFFFAOYSA-N -1 3 358.814 3.120 20 30 FGEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cc2c(s1)CCC2 ZINC000823953612 608533517 /nfs/dbraw/zinc/53/35/17/608533517.db2.gz ITFMDDXSGFCDND-UHFFFAOYSA-N -1 3 359.846 3.301 20 30 FGEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cc2c(s1)CCC2 ZINC000823953612 608533518 /nfs/dbraw/zinc/53/35/18/608533518.db2.gz ITFMDDXSGFCDND-UHFFFAOYSA-N -1 3 359.846 3.301 20 30 FGEDHM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc2c(c1)CCO2 ZINC000825029145 608538834 /nfs/dbraw/zinc/53/88/34/608538834.db2.gz NNGGHARZQZFMPK-UHFFFAOYSA-N -1 3 369.816 3.076 20 30 FGEDHM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc2c(c1)CCO2 ZINC000825029145 608538836 /nfs/dbraw/zinc/53/88/36/608538836.db2.gz NNGGHARZQZFMPK-UHFFFAOYSA-N -1 3 369.816 3.076 20 30 FGEDHM FC(F)(F)c1cccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000826369091 608541779 /nfs/dbraw/zinc/54/17/79/608541779.db2.gz MELXEMPQJYFFRM-UHFFFAOYSA-N -1 3 367.722 3.380 20 30 FGEDHM FC(F)(F)c1cccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000826369091 608541781 /nfs/dbraw/zinc/54/17/81/608541781.db2.gz MELXEMPQJYFFRM-UHFFFAOYSA-N -1 3 367.722 3.380 20 30 FGEDHM CN(C)c1cc(F)ccc1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825875573 608879107 /nfs/dbraw/zinc/87/91/07/608879107.db2.gz SXOMJVWZVSJBFM-XBXARRHUSA-N -1 3 355.348 3.107 20 30 FGEDHM CN(C)c1cc(F)ccc1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000825875573 608879110 /nfs/dbraw/zinc/87/91/10/608879110.db2.gz SXOMJVWZVSJBFM-XBXARRHUSA-N -1 3 355.348 3.107 20 30 FGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cnn(Cc2ccccc2)c1 ZINC000826400817 608880737 /nfs/dbraw/zinc/88/07/37/608880737.db2.gz IZUOFXLFDYAWJJ-VQHVLOKHSA-N -1 3 374.379 3.147 20 30 FGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cnn(Cc2ccccc2)c1 ZINC000826400817 608880740 /nfs/dbraw/zinc/88/07/40/608880740.db2.gz IZUOFXLFDYAWJJ-VQHVLOKHSA-N -1 3 374.379 3.147 20 30 FGEDHM CCCC[C@@H](ON=C(C)C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825265767 609248626 /nfs/dbraw/zinc/24/86/26/609248626.db2.gz AZFQVUZROHAMOH-CZUORRHYSA-N -1 3 358.446 3.015 20 30 FGEDHM CCCC[C@@H](ON=C(C)C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825265767 609248628 /nfs/dbraw/zinc/24/86/28/609248628.db2.gz AZFQVUZROHAMOH-CZUORRHYSA-N -1 3 358.446 3.015 20 30 FGEDHM C=CCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000823932418 609269133 /nfs/dbraw/zinc/26/91/33/609269133.db2.gz XOFJUGOEEVYPFZ-TWGQIWQCSA-N -1 3 350.353 3.467 20 30 FGEDHM C=CCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000823932418 609269134 /nfs/dbraw/zinc/26/91/34/609269134.db2.gz XOFJUGOEEVYPFZ-TWGQIWQCSA-N -1 3 350.353 3.467 20 30 FGEDHM O=C(C=Cc1cc2c(c(Cl)c1)OCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399687 609272402 /nfs/dbraw/zinc/27/24/02/609272402.db2.gz CJOBDLOTOVUHRR-DAFODLJHSA-N -1 3 372.743 3.284 20 30 FGEDHM O=C(C=Cc1cc2c(c(Cl)c1)OCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399687 609272403 /nfs/dbraw/zinc/27/24/03/609272403.db2.gz CJOBDLOTOVUHRR-DAFODLJHSA-N -1 3 372.743 3.284 20 30 FGEDHM O=C(C=Cc1c(Cl)nc2ccccn21)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399871 609272437 /nfs/dbraw/zinc/27/24/37/609272437.db2.gz IRQHIZXXCLZEGC-SREVYHEPSA-N -1 3 368.759 3.203 20 30 FGEDHM O=C(C=Cc1c(Cl)nc2ccccn21)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399871 609272438 /nfs/dbraw/zinc/27/24/38/609272438.db2.gz IRQHIZXXCLZEGC-SREVYHEPSA-N -1 3 368.759 3.203 20 30 FGEDHM CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958307 609276081 /nfs/dbraw/zinc/27/60/81/609276081.db2.gz IJNDWJYFUMPLLG-UHFFFAOYSA-N -1 3 355.333 3.059 20 30 FGEDHM CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958307 609276083 /nfs/dbraw/zinc/27/60/83/609276083.db2.gz IJNDWJYFUMPLLG-UHFFFAOYSA-N -1 3 355.333 3.059 20 30 FGEDHM Cn1cc(C=CC(=O)c2ccccc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359364 609307922 /nfs/dbraw/zinc/30/79/22/609307922.db2.gz DXUOCGQCHHZHBK-VAWYXSNFSA-N -1 3 356.389 3.163 20 30 FGEDHM Cn1cc(C=CC(=O)c2ccccc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359364 609307924 /nfs/dbraw/zinc/30/79/24/609307924.db2.gz DXUOCGQCHHZHBK-VAWYXSNFSA-N -1 3 356.389 3.163 20 30 FGEDHM C=C(C)CN(C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000823873398 609370009 /nfs/dbraw/zinc/37/00/09/609370009.db2.gz LPEAIGMMWQOLBC-LBPRGKRZSA-N -1 3 374.514 3.032 20 30 FGEDHM C=C(C)CN(C)[C@@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000823873398 609370012 /nfs/dbraw/zinc/37/00/12/609370012.db2.gz LPEAIGMMWQOLBC-LBPRGKRZSA-N -1 3 374.514 3.032 20 30 FGEDHM O=C1c2ccc(F)cc2OCCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475280 609372094 /nfs/dbraw/zinc/37/20/94/609372094.db2.gz AZBKJRJARAQTOP-YRNVUSSQSA-N -1 3 354.316 3.194 20 30 FGEDHM O=C1c2ccc(F)cc2OCCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475280 609372097 /nfs/dbraw/zinc/37/20/97/609372097.db2.gz AZBKJRJARAQTOP-YRNVUSSQSA-N -1 3 354.316 3.194 20 30 FGEDHM N#Cc1ccc2[nH]cc(C=NNc3ccc(-c4nnn[n-]4)c(Cl)c3)c2c1 ZINC000826385889 609472749 /nfs/dbraw/zinc/47/27/49/609472749.db2.gz GLPFFNHTPDLJBR-UHFFFAOYSA-N -1 3 362.784 3.319 20 30 FGEDHM N#Cc1ccc2[nH]cc(C=NNc3ccc(-c4nn[n-]n4)c(Cl)c3)c2c1 ZINC000826385889 609472752 /nfs/dbraw/zinc/47/27/52/609472752.db2.gz GLPFFNHTPDLJBR-UHFFFAOYSA-N -1 3 362.784 3.319 20 30 FGEDHM C=CCOc1ccc(CNc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000158943124 705205334 /nfs/dbraw/zinc/20/53/34/705205334.db2.gz MYQDZGZQEGDMRW-UHFFFAOYSA-N -1 3 362.451 3.244 20 30 FGEDHM O=C1C[C@@H](/N=C/c2cc(Br)ccc2[O-])CN1c1ccccc1 ZINC000194992200 713542316 /nfs/dbraw/zinc/54/23/16/713542316.db2.gz URCDRQZGWBEMDP-LEBHLANCSA-N -1 3 359.223 3.379 20 30 FGEDHM O=C1C[C@H](/N=C/c2cc(Br)ccc2[O-])CN1c1ccccc1 ZINC000194992213 713542322 /nfs/dbraw/zinc/54/23/22/713542322.db2.gz URCDRQZGWBEMDP-FVOVHSBVSA-N -1 3 359.223 3.379 20 30 FGEDHM O=C1[C@H](/N=C\c2cc(Br)ccc2[O-])CCN1c1ccccc1 ZINC000255203576 713687741 /nfs/dbraw/zinc/68/77/41/713687741.db2.gz DIRQQSPWPIEQSB-MXDDHBLUSA-N -1 3 359.223 3.379 20 30 FGEDHM [O-]c1c(O)ccc(C=Nc2ccccc2I)c1O ZINC000255355339 713692605 /nfs/dbraw/zinc/69/26/05/713692605.db2.gz GHRGHBWWDLYWMR-UHFFFAOYSA-N -1 3 355.131 3.159 20 30 FGEDHM Cc1nc(C)c(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)c(=O)[n-]1 ZINC000521727515 714144678 /nfs/dbraw/zinc/14/46/78/714144678.db2.gz YEASHNVYMUSPOX-NSHDSACASA-N -1 3 356.451 3.232 20 30 FGEDHM CCOC(=O)c1sc([N-]C(=O)c2cn3ccnc3s2)c(C#N)c1C ZINC000615655032 714542577 /nfs/dbraw/zinc/54/25/77/714542577.db2.gz ZHAUMUNSLVMDMS-UHFFFAOYSA-N -1 3 360.420 3.066 20 30 FGEDHM C[C@@]1(C#N)CCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000618241473 714727960 /nfs/dbraw/zinc/72/79/60/714727960.db2.gz RSPQFHYLBIGRIO-KRWDZBQOSA-N -1 3 374.238 3.056 20 30 FGEDHM CCOc1cc(C=NN[C@H]2CCOC(C)(C)C2)cc(Br)c1[O-] ZINC000780251332 724455704 /nfs/dbraw/zinc/45/57/04/724455704.db2.gz NWPQXPUOCWVVLD-LBPRGKRZSA-N -1 3 371.275 3.435 20 30 FGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1c(Br)cnn1C ZINC000782323760 724653221 /nfs/dbraw/zinc/65/32/21/724653221.db2.gz QNQYVJIMVHYKCK-BESBCXERSA-N -1 3 351.175 3.411 20 30 FGEDHM Cc1ncc(CO)c(/C=N/C[C@H](O)c2ccc(Cl)cc2Cl)c1[O-] ZINC000731936935 722479608 /nfs/dbraw/zinc/47/96/08/722479608.db2.gz CLNFQLAATVQHDT-CVWJYHMUSA-N -1 3 355.221 3.047 20 30 FGEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cc(C(F)(F)F)ccc1F ZINC000733203371 722493876 /nfs/dbraw/zinc/49/38/76/722493876.db2.gz GQHXPSIWVSAJKG-UHFFFAOYSA-N -1 3 360.332 3.298 20 30 FGEDHM COC(=O)[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccc(C#N)cc1 ZINC000740210726 722535351 /nfs/dbraw/zinc/53/53/51/722535351.db2.gz IQIKJTZRJQJELJ-LBPRGKRZSA-N -1 3 353.161 3.264 20 30 FGEDHM CSc1ccc(C(C)=N[N-]S(=O)(=O)CCc2ccccc2)cc1F ZINC000743449010 722567603 /nfs/dbraw/zinc/56/76/03/722567603.db2.gz JUVVPDVXRHSGCK-UHFFFAOYSA-N -1 3 366.483 3.434 20 30 FGEDHM N#Cc1cc([N-]C(=O)c2cnc3ccccc3n2)c(Cl)c([N+](=O)[O-])c1 ZINC000746485261 722604589 /nfs/dbraw/zinc/60/45/89/722604589.db2.gz UCIIKFPLQIPRIO-UHFFFAOYSA-N -1 3 353.725 3.315 20 30 FGEDHM CC(N=Nc1nc(Br)cn2ccnc12)c1ccc(F)cc1[O-] ZINC000749861901 722745325 /nfs/dbraw/zinc/74/53/25/722745325.db2.gz YDRCCZJRVGVFDJ-UHFFFAOYSA-N -1 3 364.178 3.173 20 30 FGEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CC2(CCC2)Oc2ccccc21 ZINC000753165524 722888148 /nfs/dbraw/zinc/88/81/48/722888148.db2.gz GCFIPCOHUZKTCL-UHFFFAOYSA-N -1 3 356.447 3.216 20 30 FGEDHM CC(=NNC(=S)Nc1cccnc1)c1ccc(Br)cc1[O-] ZINC000756823812 722970454 /nfs/dbraw/zinc/97/04/54/722970454.db2.gz OYWZJUVISILHPS-UHFFFAOYSA-N -1 3 365.256 3.260 20 30 FGEDHM COc1cc(C)nc(N=NC(C)c2ccc(Br)cc2[O-])n1 ZINC000756828694 722970533 /nfs/dbraw/zinc/97/05/33/722970533.db2.gz FUFXFEARHFNNDO-UHFFFAOYSA-N -1 3 351.204 3.098 20 30 FGEDHM CC(C)(C)n1cc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)nn1 ZINC000790149971 723109747 /nfs/dbraw/zinc/10/97/47/723109747.db2.gz RNYYLLOQSZURQD-UHFFFAOYSA-N -1 3 373.511 3.088 20 30 FGEDHM COc1ccc(C=NNCc2ccc(C#N)cc2)c(Br)c1[O-] ZINC000761012549 723113050 /nfs/dbraw/zinc/11/30/50/723113050.db2.gz NVPBSWSSFGAUDM-UHFFFAOYSA-N -1 3 360.211 3.159 20 30 FGEDHM COc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)s1 ZINC000763141509 723316593 /nfs/dbraw/zinc/31/65/93/723316593.db2.gz LWSBWFAREXCUQZ-CYBMUJFWSA-N -1 3 374.447 3.032 20 30 FGEDHM COCc1nc(C)c(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)s1 ZINC000764302385 723405647 /nfs/dbraw/zinc/40/56/47/723405647.db2.gz TZUUKQOBMRNYFJ-UHFFFAOYSA-N -1 3 366.786 3.284 20 30 FGEDHM C#C[C@H]([N-]S(=O)(=O)c1cccnc1Cl)c1ccc(Cl)cc1F ZINC000796089301 723620187 /nfs/dbraw/zinc/62/01/87/723620187.db2.gz PSEUYTQZYLKDSC-LBPRGKRZSA-N -1 3 359.209 3.180 20 30 FGEDHM CC(N=Nc1nc2c(cnn2C)c(=O)[n-]1)c1ccc(SC(F)F)cc1 ZINC000769819152 723696903 /nfs/dbraw/zinc/69/69/03/723696903.db2.gz ZYCASUDNWLXFGD-UHFFFAOYSA-N -1 3 364.381 3.220 20 30 FGEDHM O=C1Nc2cccc(C(F)(F)F)c2C1=N[N-]c1ncnc2sccc21 ZINC000800808993 724230252 /nfs/dbraw/zinc/23/02/52/724230252.db2.gz XTFWKCYVITWQPQ-UHFFFAOYSA-N -1 3 363.324 3.478 20 30 FGEDHM COc1ccc(N[C@H](C)c2ccc(C#N)c(F)c2)cc1[N-]S(C)(=O)=O ZINC000777628018 724245253 /nfs/dbraw/zinc/24/52/53/724245253.db2.gz PRRHXIGBVNZLQL-LLVKDONJSA-N -1 3 363.414 3.251 20 30 FGEDHM C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(Cl)s1 ZINC000819866244 728948439 /nfs/dbraw/zinc/94/84/39/728948439.db2.gz LKVKMSORJMMPSF-MRVPVSSYSA-N -1 3 358.814 3.195 20 30 FGEDHM C[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(Cl)s1 ZINC000819866244 728948440 /nfs/dbraw/zinc/94/84/40/728948440.db2.gz LKVKMSORJMMPSF-MRVPVSSYSA-N -1 3 358.814 3.195 20 30 FGEDHM COC(=O)[C@H](OC(=O)c1cc([O-])cc(C#N)c1)c1c(F)cccc1Cl ZINC000811187259 725349499 /nfs/dbraw/zinc/34/94/99/725349499.db2.gz NBRXAPPCWMCRLU-OAHLLOKOSA-N -1 3 363.728 3.127 20 30 FGEDHM CC(=NNc1cccc(Br)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000819783273 728945814 /nfs/dbraw/zinc/94/58/14/728945814.db2.gz UJAJYPSDMJXOJZ-UHFFFAOYSA-N -1 3 357.215 3.465 20 30 FGEDHM CC(=NNc1cccc(Br)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000819783273 728945816 /nfs/dbraw/zinc/94/58/16/728945816.db2.gz UJAJYPSDMJXOJZ-UHFFFAOYSA-N -1 3 357.215 3.465 20 30 FGEDHM C=CCC(C)(C)CNC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000814420252 726965154 /nfs/dbraw/zinc/96/51/54/726965154.db2.gz UQJNEYWKOHEWNP-UHFFFAOYSA-N -1 3 370.490 3.235 20 30 FGEDHM Cc1nocc1C=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000814830116 727004594 /nfs/dbraw/zinc/00/45/94/727004594.db2.gz XRHCQNWEDMKFSC-UHFFFAOYSA-N -1 3 356.407 3.230 20 30 FGEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 ZINC000816692672 727189235 /nfs/dbraw/zinc/18/92/35/727189235.db2.gz SNZXYQIOTLREBB-LLVKDONJSA-N -1 3 371.245 3.442 20 30 FGEDHM CC(C)c1ccc(-c2nc(C(=O)N[C@@H]3CCCN([O-])C3=O)cs2)cc1 ZINC000816753927 727193035 /nfs/dbraw/zinc/19/30/35/727193035.db2.gz RZOFCLSVLBDLIR-CQSZACIVSA-N -1 3 359.451 3.044 20 30 FGEDHM O=C(N[C@@H]1CCCN([O-])C1=O)[C@H](Sc1ccccc1)c1ccccc1 ZINC000816752720 727193074 /nfs/dbraw/zinc/19/30/74/727193074.db2.gz MNAGRQAYHOBNJZ-IAGOWNOFSA-N -1 3 356.447 3.016 20 30 FGEDHM N#Cc1cccc(C(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826386428 729407875 /nfs/dbraw/zinc/40/78/75/729407875.db2.gz DFMSLLBRLAQROX-UHFFFAOYSA-N -1 3 355.810 3.367 20 30 FGEDHM N#Cc1cccc(C(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826386428 729407876 /nfs/dbraw/zinc/40/78/76/729407876.db2.gz DFMSLLBRLAQROX-UHFFFAOYSA-N -1 3 355.810 3.367 20 30 FGEDHM C[C@]1(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CC1(Cl)Cl ZINC000832141606 729692241 /nfs/dbraw/zinc/69/22/41/729692241.db2.gz KUDGKHIDYKJYNR-LLVKDONJSA-N -1 3 353.658 3.074 20 30 FGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cc2n(n1)CCC2 ZINC000835064105 729854729 /nfs/dbraw/zinc/85/47/29/729854729.db2.gz BICBJBKWFZOQCE-LLVKDONJSA-N -1 3 363.204 3.097 20 30 FGEDHM C[C@@H]1CCn2ncc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)c2C1 ZINC000842685289 730531018 /nfs/dbraw/zinc/53/10/18/730531018.db2.gz CFOZGIAYPKOOOX-VXGBXAGGSA-N -1 3 356.813 3.080 20 30 FGEDHM COc1cc(C(=O)/C=C/c2c(C(F)(F)F)cnn2C)c(OC)cc1[O-] ZINC000849245678 731237861 /nfs/dbraw/zinc/23/78/61/731237861.db2.gz BJGWCPMCXNGQEN-SNAWJCMRSA-N -1 3 356.300 3.058 20 30 FGEDHM Cc1ncc(CO)c(/C=N/C[C@@H](O)c2ccc(Cl)c(Cl)c2)c1[O-] ZINC000852999114 731648559 /nfs/dbraw/zinc/64/85/59/731648559.db2.gz WFUOJXONGZMWSO-SOMFGXHWSA-N -1 3 355.221 3.047 20 30 FGEDHM NC(=O)CC1(C/N=C\c2cc(Br)ccc2[O-])CCCCC1 ZINC000852998277 731648574 /nfs/dbraw/zinc/64/85/74/731648574.db2.gz JWYHHYZTWYJILJ-GRSHGNNSSA-N -1 3 353.260 3.400 20 30 FGEDHM C=CCCO[N-]C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000856030507 731977197 /nfs/dbraw/zinc/97/71/97/731977197.db2.gz GUGQVDAZZWBTJS-UHFFFAOYSA-N -1 3 372.244 3.117 20 30 FGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CC[C@H]1CC1(Cl)Cl ZINC000856749456 732053723 /nfs/dbraw/zinc/05/37/23/732053723.db2.gz GURRDVUAYQRPJS-QMMMGPOBSA-N -1 3 353.658 3.074 20 30 FGEDHM C=C(Cl)C[C@@H](NCc1nc2cc(C(F)(F)F)ccc2n1C)C(=O)[O-] ZINC000864518606 733072088 /nfs/dbraw/zinc/07/20/88/733072088.db2.gz OLWZZRDEDLXJGG-LLVKDONJSA-N -1 3 361.751 3.278 20 30 FGEDHM CCc1cc(C#N)c([N-]C(=O)c2coc3c2C(=O)NCC(C)(C)C3)s1 ZINC000875206545 735968555 /nfs/dbraw/zinc/96/85/55/735968555.db2.gz ZHBHWXRSUXKVTE-UHFFFAOYSA-N -1 3 357.435 3.340 20 30 FGEDHM Cc1c(CSC(C)C)cccc1NC(=O)N[C@@H]1CCCN([O-])C1=O ZINC000878806124 736920350 /nfs/dbraw/zinc/92/03/50/736920350.db2.gz IHYUXSKKZFZWKI-OAHLLOKOSA-N -1 3 351.472 3.138 20 30 FGEDHM N#C[C@@H]1CNCC12CC(C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)C2 ZINC000884321553 737655166 /nfs/dbraw/zinc/65/51/66/737655166.db2.gz RMZPVMSDZFJVHY-HDGJIZGZSA-N -1 3 374.655 3.430 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1C(=O)N1CC[C@H](c2cc(=O)[nH][n-]2)C1 ZINC000898222992 742761351 /nfs/dbraw/zinc/76/13/51/742761351.db2.gz YOTBGZXOGBIBPA-LBPRGKRZSA-N -1 3 352.419 3.140 20 30 FGEDHM N#C[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1c(Cl)cccc1Cl ZINC000900609124 743135379 /nfs/dbraw/zinc/13/53/79/743135379.db2.gz VLOKBPBBSSVECB-LBPRGKRZSA-N -1 3 363.204 3.361 20 30 FGEDHM O=C([C@@H]1CC(=O)N(c2ccccc2Cl)C1)N([O-])Cc1ccc(F)cc1 ZINC000901375185 743261996 /nfs/dbraw/zinc/26/19/96/743261996.db2.gz FRQAQSVIBJYJEJ-CYBMUJFWSA-N -1 3 362.788 3.250 20 30 FGEDHM Cc1cnc2c(C(=O)N([O-])Cc3cc(Cl)cc(Cl)c3)cnn2c1 ZINC000901379301 743263660 /nfs/dbraw/zinc/26/36/60/743263660.db2.gz ZCTSGFHBQYYJAM-UHFFFAOYSA-N -1 3 351.193 3.376 20 30 FGEDHM COc1cc(/C=C/C(=O)c2cc3n(n2)CCC3)cc(Br)c1[O-] ZINC000901560299 743304284 /nfs/dbraw/zinc/30/42/84/743304284.db2.gz BXDYQLCFUMJPTH-SNAWJCMRSA-N -1 3 363.211 3.202 20 30 FGEDHM COCCn1cc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c(C)n1 ZINC000904180136 743936250 /nfs/dbraw/zinc/93/62/50/743936250.db2.gz HRFBJZDXMOZULP-UHFFFAOYSA-N -1 3 358.225 3.176 20 30 FGEDHM O=C(C1CCN(CC(F)(F)F)CC1)N([O-])Cc1ccccc1Cl ZINC000904188760 743937045 /nfs/dbraw/zinc/93/70/45/743937045.db2.gz MXNWLQVLTJUYOX-UHFFFAOYSA-N -1 3 350.768 3.332 20 30 FGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2CCCCCCC2)ccc1F ZINC000914456981 757778442 /nfs/dbraw/zinc/77/84/42/757778442.db2.gz JDKHOMGTTBELLK-UHFFFAOYSA-N -1 3 368.474 3.133 20 30 FGEDHM Cc1ncc(CO)c(/C=N\[C@H](C)Cc2ccc(Br)cc2)c1[O-] ZINC000915978110 758015551 /nfs/dbraw/zinc/01/55/51/758015551.db2.gz BDCHQAWEKDTNDL-CZPFXKHOSA-N -1 3 363.255 3.401 20 30 FGEDHM COc1cc(C=Nn2cnc3sc(C)c(C)c3c2=O)cc(Cl)c1[O-] ZINC000916310703 758069155 /nfs/dbraw/zinc/06/91/55/758069155.db2.gz FDDHTKKPDDURCX-UHFFFAOYSA-N -1 3 363.826 3.325 20 30 FGEDHM Cc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)cc1 ZINC000916320863 758070821 /nfs/dbraw/zinc/07/08/21/758070821.db2.gz MRBRYDHFGTWLIC-MRXNPFEDSA-N -1 3 352.419 3.270 20 30 FGEDHM Fc1ccccc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000916321212 758071149 /nfs/dbraw/zinc/07/11/49/758071149.db2.gz UUOQBZQOTDXODM-OAHLLOKOSA-N -1 3 356.382 3.101 20 30 FGEDHM Cc1ncc(CO)c(/C=N/CCc2ccc(F)c(Br)c2)c1[O-] ZINC000917558681 758238692 /nfs/dbraw/zinc/23/86/92/758238692.db2.gz UZAKYYRHENFZRH-UFWORHAWSA-N -1 3 367.218 3.151 20 30 FGEDHM Cc1ncc(CO)c(/C=N\Cc2ccc(F)cc2Br)c1[O-] ZINC000920173955 758520859 /nfs/dbraw/zinc/52/08/59/758520859.db2.gz HUFVPJKOMSIRQK-WSVATBPTSA-N -1 3 353.191 3.109 20 30 FGEDHM Cc1c(C=N[N-]S(=O)(=O)Cc2ccccc2)sc2nc(C)nc(C)c12 ZINC000920383491 758546842 /nfs/dbraw/zinc/54/68/42/758546842.db2.gz KNGJHDNEQNFWDV-UHFFFAOYSA-N -1 3 374.491 3.070 20 30 FGEDHM CC(C)C(=O)[C@H]([N-]S(=O)(=O)Cc1csc(C#N)c1)c1ccccc1 ZINC000920547845 758570919 /nfs/dbraw/zinc/57/09/19/758570919.db2.gz WLKXGQAJKCRZQW-MRXNPFEDSA-N -1 3 362.476 3.006 20 30 FGEDHM CCn1cc(C(=O)/C=C\c2cc(Br)c([O-])c(OC)c2)cn1 ZINC000920991933 758628291 /nfs/dbraw/zinc/62/82/91/758628291.db2.gz RJSSKXYQWJIEKC-PLNGDYQASA-N -1 3 351.200 3.276 20 30 FGEDHM C=CC[C@@H]1CCN1[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1 ZINC000934467804 761634627 /nfs/dbraw/zinc/63/46/27/761634627.db2.gz VJUZHISDTFIUTI-VXGBXAGGSA-N -1 3 361.467 3.181 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Br)cn1 ZINC000132216116 494839986 /nfs/dbraw/zinc/83/99/86/494839986.db2.gz SMRXQXDUEDDTQW-UHFFFAOYSA-N -1 3 372.631 3.170 20 30 FGEDHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)C=Cc3ccccc3C#N)c2)n1 ZINC000058319196 493844462 /nfs/dbraw/zinc/84/44/62/493844462.db2.gz KRFGLFDSSCKGRG-MDZDMXLPSA-N -1 3 356.385 3.269 20 30 FGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccccc1Br ZINC000070430525 494043708 /nfs/dbraw/zinc/04/37/08/494043708.db2.gz VBCRACQVSGTDCH-UHFFFAOYSA-N -1 3 351.225 3.430 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000041906354 494187349 /nfs/dbraw/zinc/18/73/49/494187349.db2.gz LUQXRRVUPYFKCH-CRFBAAHOSA-N -1 3 355.482 3.223 20 30 FGEDHM CCN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000065816007 494241987 /nfs/dbraw/zinc/24/19/87/494241987.db2.gz ZGGFXTCOXNIHGV-LBPRGKRZSA-N -1 3 362.389 3.057 20 30 FGEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)nnn1-c1ccc(F)c(Cl)c1 ZINC000066729268 494397486 /nfs/dbraw/zinc/39/74/86/494397486.db2.gz LMYLFMWPLVVWOI-LBPRGKRZSA-N -1 3 355.760 3.253 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccco1)C1CCCC1 ZINC000045467847 494432021 /nfs/dbraw/zinc/43/20/21/494432021.db2.gz BDXRFMJMSQPSAM-UHFFFAOYSA-N -1 3 367.449 3.360 20 30 FGEDHM C[C@@H](CCc1ccco1)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000055974706 494437026 /nfs/dbraw/zinc/43/70/26/494437026.db2.gz VPRMQYBURWYVGE-NSHDSACASA-N -1 3 372.368 3.470 20 30 FGEDHM COc1ccc(-n2nc(C(=O)Nc3nnc(-c4ccco4)[n-]3)cc2C)cc1 ZINC000092395924 494614572 /nfs/dbraw/zinc/61/45/72/494614572.db2.gz VRWQACUQJOADKW-UHFFFAOYSA-N -1 3 364.365 3.204 20 30 FGEDHM COc1ccc(-n2nc(C(=O)Nc3nc(-c4ccco4)n[n-]3)cc2C)cc1 ZINC000092395924 494614579 /nfs/dbraw/zinc/61/45/79/494614579.db2.gz VRWQACUQJOADKW-UHFFFAOYSA-N -1 3 364.365 3.204 20 30 FGEDHM COc1ccc(-n2nc(C(=O)Nc3n[n-]c(-c4ccco4)n3)cc2C)cc1 ZINC000092395924 494614583 /nfs/dbraw/zinc/61/45/83/494614583.db2.gz VRWQACUQJOADKW-UHFFFAOYSA-N -1 3 364.365 3.204 20 30 FGEDHM CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126305870 494704398 /nfs/dbraw/zinc/70/43/98/494704398.db2.gz UJRNMYCBVFTIPE-UHFFFAOYSA-N -1 3 374.238 3.368 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2ccccc2Cl)no1 ZINC000109540192 494887359 /nfs/dbraw/zinc/88/73/59/494887359.db2.gz XBRRFLUTHWPEDV-UHFFFAOYSA-N -1 3 368.824 3.276 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2ccc(Cl)cc2)no1 ZINC000109613295 494896668 /nfs/dbraw/zinc/89/66/68/494896668.db2.gz CCPYGQSWRGWMBR-UHFFFAOYSA-N -1 3 368.824 3.276 20 30 FGEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000123505455 495142919 /nfs/dbraw/zinc/14/29/19/495142919.db2.gz FYMNFACTWCERGT-SSDOTTSWSA-N -1 3 369.078 3.064 20 30 FGEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1c[n-]nc1-c1ccccn1 ZINC000571576369 505764655 /nfs/dbraw/zinc/76/46/55/505764655.db2.gz WHRIRJHAEBEPSM-UHFFFAOYSA-N -1 3 370.334 3.272 20 30 FGEDHM O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1cn[n-]c1-c1ccccn1 ZINC000571576369 505764658 /nfs/dbraw/zinc/76/46/58/505764658.db2.gz WHRIRJHAEBEPSM-UHFFFAOYSA-N -1 3 370.334 3.272 20 30 FGEDHM N#Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000103153182 495199644 /nfs/dbraw/zinc/19/96/44/495199644.db2.gz RCXGXAYPHRDCSF-WDEREUQCSA-N -1 3 350.337 3.097 20 30 FGEDHM Cc1cnc([C@H]([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)C2CC2)s1 ZINC000173490672 495555073 /nfs/dbraw/zinc/55/50/73/495555073.db2.gz ZCVHAYZKVGWABD-CQSZACIVSA-N -1 3 367.883 3.406 20 30 FGEDHM Cc1ccc(C(=O)NCCC(=O)Nc2ccc(C(C)(C)C#N)cc2)c([O-])c1 ZINC000170826797 495617187 /nfs/dbraw/zinc/61/71/87/495617187.db2.gz DJQFYFMEZPKJHG-UHFFFAOYSA-N -1 3 365.433 3.260 20 30 FGEDHM CCC(CC)[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCO1 ZINC000185703286 495689417 /nfs/dbraw/zinc/68/94/17/495689417.db2.gz UFPAIXSFMDBNQW-GOEBONIOSA-N -1 3 370.902 3.474 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCO[C@@H]2c2ccccc2)c(F)c1 ZINC000151103707 495739291 /nfs/dbraw/zinc/73/92/91/495739291.db2.gz LMOWEVBCMLVLGM-QFBILLFUSA-N -1 3 374.437 3.144 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)c(F)c1 ZINC000151156202 495756286 /nfs/dbraw/zinc/75/62/86/495756286.db2.gz BXWRGPCVUYILNO-MRXNPFEDSA-N -1 3 373.434 3.222 20 30 FGEDHM C[C@H]([N-]S(=O)(=O)Cc1cccc(C#N)c1)c1nc(C2CCCCC2)no1 ZINC000174067399 495808587 /nfs/dbraw/zinc/80/85/87/495808587.db2.gz WVHCFAZFTZIKSL-ZDUSSCGKSA-N -1 3 374.466 3.170 20 30 FGEDHM C=CCOc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1OC ZINC000160168098 495899583 /nfs/dbraw/zinc/89/95/83/495899583.db2.gz AJBGQMVPXYIYHK-UHFFFAOYSA-N -1 3 354.366 3.199 20 30 FGEDHM C=CCOc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1OC ZINC000160168098 495899587 /nfs/dbraw/zinc/89/95/87/495899587.db2.gz AJBGQMVPXYIYHK-UHFFFAOYSA-N -1 3 354.366 3.199 20 30 FGEDHM C=CCOc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1OC ZINC000160168098 495899590 /nfs/dbraw/zinc/89/95/90/495899590.db2.gz AJBGQMVPXYIYHK-UHFFFAOYSA-N -1 3 354.366 3.199 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C)c2cccc(O)c21 ZINC000186313345 495942795 /nfs/dbraw/zinc/94/27/95/495942795.db2.gz PVCCVIGFLXPSBO-LBPRGKRZSA-N -1 3 365.433 3.042 20 30 FGEDHM C#CCCCCC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000180375329 495970893 /nfs/dbraw/zinc/97/08/93/495970893.db2.gz LJIVIQGLCODFLU-UHFFFAOYSA-N -1 3 362.857 3.416 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCc3cc(F)ccc32)c(Cl)c1 ZINC000183537778 496022624 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CC(C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735712735 599198921 /nfs/dbraw/zinc/19/89/21/599198921.db2.gz UFIPEMLGISGZMH-KRWDZBQOSA-N -1 3 360.421 3.192 20 30 FGEDHM CC(C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735712735 599198924 /nfs/dbraw/zinc/19/89/24/599198924.db2.gz UFIPEMLGISGZMH-KRWDZBQOSA-N -1 3 360.421 3.192 20 30 FGEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735503052 598495510 /nfs/dbraw/zinc/49/55/10/598495510.db2.gz IIEMCFNUWZXPCQ-GFCCVEGCSA-N -1 3 364.434 3.371 20 30 FGEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735503052 598495511 /nfs/dbraw/zinc/49/55/11/598495511.db2.gz IIEMCFNUWZXPCQ-GFCCVEGCSA-N -1 3 364.434 3.371 20 30 FGEDHM C=CCCOC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735416181 598784240 /nfs/dbraw/zinc/78/42/40/598784240.db2.gz DRNZNGMKTYXAHC-UHFFFAOYSA-N -1 3 350.378 3.179 20 30 FGEDHM C=CCCOC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735416181 598784241 /nfs/dbraw/zinc/78/42/41/598784241.db2.gz DRNZNGMKTYXAHC-UHFFFAOYSA-N -1 3 350.378 3.179 20 30 FGEDHM Fc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)c(C(F)(F)F)c1 ZINC000822766669 607371770 /nfs/dbraw/zinc/37/17/70/607371770.db2.gz MSGIETBVMUQONP-UHFFFAOYSA-N -1 3 350.279 3.471 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc2c(c1)CCCC2 ZINC000737806554 599461833 /nfs/dbraw/zinc/46/18/33/599461833.db2.gz MJMHUBNCPHAXAL-HJWRWDBZSA-N -1 3 370.416 3.289 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc2c(c1)CCCC2 ZINC000737806554 599461836 /nfs/dbraw/zinc/46/18/36/599461836.db2.gz MJMHUBNCPHAXAL-HJWRWDBZSA-N -1 3 370.416 3.289 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)C[C@@H](C)CC ZINC000819742955 599678466 /nfs/dbraw/zinc/67/84/66/599678466.db2.gz CGWZIJBRQKCYPB-GJZGRUSLSA-N -1 3 356.474 3.389 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)C[C@@H](C)CC ZINC000819742955 599678467 /nfs/dbraw/zinc/67/84/67/599678467.db2.gz CGWZIJBRQKCYPB-GJZGRUSLSA-N -1 3 356.474 3.389 20 30 FGEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000826278025 607393942 /nfs/dbraw/zinc/39/39/42/607393942.db2.gz OXUQMEFQCBGPQN-INIZCTEOSA-N -1 3 361.409 3.342 20 30 FGEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000826278025 607393944 /nfs/dbraw/zinc/39/39/44/607393944.db2.gz OXUQMEFQCBGPQN-INIZCTEOSA-N -1 3 361.409 3.342 20 30 FGEDHM N#CCC[C@@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000826381201 607394807 /nfs/dbraw/zinc/39/48/07/607394807.db2.gz BDTMDTNMDREKIK-OAHLLOKOSA-N -1 3 365.372 3.172 20 30 FGEDHM N#CCC[C@@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000826381201 607394808 /nfs/dbraw/zinc/39/48/08/607394808.db2.gz BDTMDTNMDREKIK-OAHLLOKOSA-N -1 3 365.372 3.172 20 30 FGEDHM CCCC(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736952654 600593626 /nfs/dbraw/zinc/59/36/26/600593626.db2.gz SPSLMPWMALHHKM-IBGZPJMESA-N -1 3 351.406 3.212 20 30 FGEDHM COc1ccc2c(c1)CCC(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000821849520 607456462 /nfs/dbraw/zinc/45/64/62/607456462.db2.gz LCBQMHCPGAMFMP-JYRVWZFOSA-N -1 3 350.353 3.227 20 30 FGEDHM COc1ccc2c(c1)CCC(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000821849520 607456464 /nfs/dbraw/zinc/45/64/64/607456464.db2.gz LCBQMHCPGAMFMP-JYRVWZFOSA-N -1 3 350.353 3.227 20 30 FGEDHM CN(C)c1cc(F)ccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821588287 607459525 /nfs/dbraw/zinc/45/95/25/607459525.db2.gz KTSCMVGBRVHINK-VMPITWQZSA-N -1 3 355.348 3.107 20 30 FGEDHM CN(C)c1cc(F)ccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821588287 607459526 /nfs/dbraw/zinc/45/95/26/607459526.db2.gz KTSCMVGBRVHINK-VMPITWQZSA-N -1 3 355.348 3.107 20 30 FGEDHM N#Cc1cccc([C@H](NCc2cccc(OCC(F)(F)F)c2)C(=O)[O-])c1 ZINC000833075359 601301232 /nfs/dbraw/zinc/30/12/32/601301232.db2.gz KPIACTODQXXEHR-INIZCTEOSA-N -1 3 364.323 3.415 20 30 FGEDHM N#Cc1cccc([C@@H](C(=O)[O-])N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000833074393 601321457 /nfs/dbraw/zinc/32/14/57/601321457.db2.gz XELGULOUJWCPRR-HKUYNNGSSA-N -1 3 366.392 3.418 20 30 FGEDHM CCc1oc(C(=O)[O-])cc1CN1CCCN(c2ccccc2C#N)CC1 ZINC000830369034 601413452 /nfs/dbraw/zinc/41/34/52/601413452.db2.gz IFRAXMQLRVHOCB-UHFFFAOYSA-N -1 3 353.422 3.124 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1coc2ccccc12 ZINC000826402801 607647173 /nfs/dbraw/zinc/64/71/73/607647173.db2.gz CBGDUSFUZQYZRT-SREVYHEPSA-N -1 3 356.345 3.157 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1coc2ccccc12 ZINC000826402801 607647175 /nfs/dbraw/zinc/64/71/75/607647175.db2.gz CBGDUSFUZQYZRT-SREVYHEPSA-N -1 3 356.345 3.157 20 30 FGEDHM C=C(C)CN1CCC(NC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC000825642402 604491984 /nfs/dbraw/zinc/49/19/84/604491984.db2.gz RAMWRIJVEQKSQO-GOSISDBHSA-N -1 3 373.497 3.178 20 30 FGEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)[nH]1 ZINC000826384545 607705675 /nfs/dbraw/zinc/70/56/75/607705675.db2.gz ZMSMMGYAYTUQBA-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)[nH]1 ZINC000826384545 607705678 /nfs/dbraw/zinc/70/56/78/607705678.db2.gz ZMSMMGYAYTUQBA-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM CC[C@@H](C#N)Oc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OC ZINC000833636277 605095153 /nfs/dbraw/zinc/09/51/53/605095153.db2.gz NEXAYOPWFZZSLI-KRWDZBQOSA-N -1 3 354.406 3.364 20 30 FGEDHM Cc1cccnc1CC(N=Nc1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000822369735 606037637 /nfs/dbraw/zinc/03/76/37/606037637.db2.gz MTPIYZUEHOEUNQ-UHFFFAOYSA-N -1 3 361.331 3.143 20 30 FGEDHM Cc1cccnc1CC(N=Nc1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000822369735 606037641 /nfs/dbraw/zinc/03/76/41/606037641.db2.gz MTPIYZUEHOEUNQ-UHFFFAOYSA-N -1 3 361.331 3.143 20 30 FGEDHM Fc1ccc(NN=Cc2cc(-c3nnn[n-]3)cs2)c(Br)c1 ZINC000822783021 606206368 /nfs/dbraw/zinc/20/63/68/606206368.db2.gz QGSJGGQUAKLIBB-UHFFFAOYSA-N -1 3 367.207 3.276 20 30 FGEDHM Fc1ccc(NN=Cc2cc(-c3nn[n-]n3)cs2)c(Br)c1 ZINC000822783021 606206369 /nfs/dbraw/zinc/20/63/69/606206369.db2.gz QGSJGGQUAKLIBB-UHFFFAOYSA-N -1 3 367.207 3.276 20 30 FGEDHM C[C@H](CC#N)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820220386 606264690 /nfs/dbraw/zinc/26/46/90/606264690.db2.gz SUFFQLHEUIXCQP-GFCCVEGCSA-N -1 3 364.434 3.050 20 30 FGEDHM C[C@H](CC#N)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820220386 606264691 /nfs/dbraw/zinc/26/46/91/606264691.db2.gz SUFFQLHEUIXCQP-GFCCVEGCSA-N -1 3 364.434 3.050 20 30 FGEDHM Cc1cccc(N=C2NC(=O)C(=Cc3ccc(-c4nnn[n-]4)s3)S2)c1 ZINC000822323633 606387489 /nfs/dbraw/zinc/38/74/89/606387489.db2.gz LHGWKCIAJBAYOU-MDWZMJQESA-N -1 3 368.447 3.128 20 30 FGEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000819958886 606571357 /nfs/dbraw/zinc/57/13/57/606571357.db2.gz SCBUJOCFVBQCAN-AWEZNQCLSA-N -1 3 366.450 3.220 20 30 FGEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000819958886 606571359 /nfs/dbraw/zinc/57/13/59/606571359.db2.gz SCBUJOCFVBQCAN-AWEZNQCLSA-N -1 3 366.450 3.220 20 30 FGEDHM C#CC(C)(C)NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000819688934 606791911 /nfs/dbraw/zinc/79/19/11/606791911.db2.gz QZJCHTVRADBJOB-UHFFFAOYSA-N -1 3 361.405 3.109 20 30 FGEDHM C#CC(C)(C)NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000819688934 606791912 /nfs/dbraw/zinc/79/19/12/606791912.db2.gz QZJCHTVRADBJOB-UHFFFAOYSA-N -1 3 361.405 3.109 20 30 FGEDHM N#Cc1cc(C(F)(F)F)ccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822819126 606939492 /nfs/dbraw/zinc/93/94/92/606939492.db2.gz LFABZEXLWQZXCS-UHFFFAOYSA-N -1 3 374.326 3.248 20 30 FGEDHM Clc1ccc(CNN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)cc1 ZINC000822573776 606991181 /nfs/dbraw/zinc/99/11/81/606991181.db2.gz IFUYAPLMCYKFMH-UHFFFAOYSA-N -1 3 351.801 3.125 20 30 FGEDHM Clc1ccc(CNN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cc1 ZINC000822573776 606991182 /nfs/dbraw/zinc/99/11/82/606991182.db2.gz IFUYAPLMCYKFMH-UHFFFAOYSA-N -1 3 351.801 3.125 20 30 FGEDHM C=CCC(CC=C)C(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819734784 607004347 /nfs/dbraw/zinc/00/43/47/607004347.db2.gz TXGRBYWXJCGGAC-UHFFFAOYSA-N -1 3 364.352 3.280 20 30 FGEDHM C=CCC(CC=C)C(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000819734784 607004349 /nfs/dbraw/zinc/00/43/49/607004349.db2.gz TXGRBYWXJCGGAC-UHFFFAOYSA-N -1 3 364.352 3.280 20 30 FGEDHM N#Cc1ccc(COc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC000822825497 607032207 /nfs/dbraw/zinc/03/22/07/607032207.db2.gz IAGIFTHQGYOWPM-UHFFFAOYSA-N -1 3 356.183 3.080 20 30 FGEDHM N#Cc1ccc(COc2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC000822825497 607032209 /nfs/dbraw/zinc/03/22/09/607032209.db2.gz IAGIFTHQGYOWPM-UHFFFAOYSA-N -1 3 356.183 3.080 20 30 FGEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccccc1C#N ZINC000821118198 607040929 /nfs/dbraw/zinc/04/09/29/607040929.db2.gz IJCMNXZCWASTQC-NTMALXAHSA-N -1 3 373.420 3.212 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(F)c(F)cc2F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822015530 607122300 /nfs/dbraw/zinc/12/23/00/607122300.db2.gz MBXVKUVEMKLBME-SNAWJCMRSA-N -1 3 373.338 3.236 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(F)c(F)cc2F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822015530 607122301 /nfs/dbraw/zinc/12/23/01/607122301.db2.gz MBXVKUVEMKLBME-SNAWJCMRSA-N -1 3 373.338 3.236 20 30 FGEDHM N#Cc1ccc(SCC(=O)Nc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000822833537 607163000 /nfs/dbraw/zinc/16/30/00/607163000.db2.gz RACCREUFQOJCOJ-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1ccc(SCC(=O)Nc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000822833537 607163001 /nfs/dbraw/zinc/16/30/01/607163001.db2.gz RACCREUFQOJCOJ-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM C[C@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccc(C#N)cc1 ZINC000820373438 607196904 /nfs/dbraw/zinc/19/69/04/607196904.db2.gz HOTHHNNYHOAKJV-JTQLQIEISA-N -1 3 367.800 3.274 20 30 FGEDHM C[C@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccc(C#N)cc1 ZINC000820373438 607196905 /nfs/dbraw/zinc/19/69/05/607196905.db2.gz HOTHHNNYHOAKJV-JTQLQIEISA-N -1 3 367.800 3.274 20 30 FGEDHM N#Cc1cc(NC(=O)c2cccc(-c3ccoc3)c2)ccc1-c1nnn[n-]1 ZINC000826384538 608028120 /nfs/dbraw/zinc/02/81/20/608028120.db2.gz ZHEWUVDHNPUOFM-UHFFFAOYSA-N -1 3 356.345 3.251 20 30 FGEDHM N#Cc1cc(NC(=O)c2cccc(-c3ccoc3)c2)ccc1-c1nn[n-]n1 ZINC000826384538 608028121 /nfs/dbraw/zinc/02/81/21/608028121.db2.gz ZHEWUVDHNPUOFM-UHFFFAOYSA-N -1 3 356.345 3.251 20 30 FGEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc(Cl)c1O ZINC000826179014 608092558 /nfs/dbraw/zinc/09/25/58/608092558.db2.gz VBSINFOJWZBHPT-IHWYPQMZSA-N -1 3 362.798 3.192 20 30 FGEDHM N#Cc1cccc(NC(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000826387178 608207578 /nfs/dbraw/zinc/20/75/78/608207578.db2.gz JTMGKVFVWRNYFT-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1cccc(NC(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)c1 ZINC000826387178 608207579 /nfs/dbraw/zinc/20/75/79/608207579.db2.gz JTMGKVFVWRNYFT-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1ccc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)cn1 ZINC000826385433 608296350 /nfs/dbraw/zinc/29/63/50/608296350.db2.gz MGRYTLLHGRYDTP-UHFFFAOYSA-N -1 3 353.389 3.412 20 30 FGEDHM N#Cc1ccc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)cn1 ZINC000826385433 608296351 /nfs/dbraw/zinc/29/63/51/608296351.db2.gz MGRYTLLHGRYDTP-UHFFFAOYSA-N -1 3 353.389 3.412 20 30 FGEDHM C=C(C)[C@H](CC(=O)N(CC)c1ccc(-c2nnn[n-]2)c(Cl)c1)OCC ZINC000823874870 608341117 /nfs/dbraw/zinc/34/11/17/608341117.db2.gz ZUCDMKYIYBTVCM-HNNXBMFYSA-N -1 3 363.849 3.244 20 30 FGEDHM C=C(C)[C@H](CC(=O)N(CC)c1ccc(-c2nn[n-]n2)c(Cl)c1)OCC ZINC000823874870 608341118 /nfs/dbraw/zinc/34/11/18/608341118.db2.gz ZUCDMKYIYBTVCM-HNNXBMFYSA-N -1 3 363.849 3.244 20 30 FGEDHM Cc1c2c(nc(SCc3cccc(C#N)c3F)c1-c1nnn[n-]1)CCC2 ZINC000826243200 608396234 /nfs/dbraw/zinc/39/62/34/608396234.db2.gz YIWHQZSBEJTLOT-UHFFFAOYSA-N -1 3 366.425 3.362 20 30 FGEDHM Cc1c2c(nc(SCc3cccc(C#N)c3F)c1-c1nn[n-]n1)CCC2 ZINC000826243200 608396235 /nfs/dbraw/zinc/39/62/35/608396235.db2.gz YIWHQZSBEJTLOT-UHFFFAOYSA-N -1 3 366.425 3.362 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826379831 608399898 /nfs/dbraw/zinc/39/98/98/608399898.db2.gz DDPKMHBRYPFRKD-QZTJIDSGSA-N -1 3 362.412 3.278 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cccc(-c2nn[n-]n2)c1F ZINC000826379831 608399899 /nfs/dbraw/zinc/39/98/99/608399899.db2.gz DDPKMHBRYPFRKD-QZTJIDSGSA-N -1 3 362.412 3.278 20 30 FGEDHM COc1ccc(CSCc2cccc(-c3nnn[n-]3)c2F)cc1C#N ZINC000826208135 608406883 /nfs/dbraw/zinc/40/68/83/608406883.db2.gz VEZPCERQFIQWGY-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM COc1ccc(CSCc2cccc(-c3nn[n-]n3)c2F)cc1C#N ZINC000826208135 608406884 /nfs/dbraw/zinc/40/68/84/608406884.db2.gz VEZPCERQFIQWGY-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM CC(C)CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccccn1 ZINC000824228210 608538507 /nfs/dbraw/zinc/53/85/07/608538507.db2.gz GGTBIVDKBNVXHV-UHFFFAOYSA-N -1 3 356.821 3.172 20 30 FGEDHM CC(C)CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccccn1 ZINC000824228210 608538508 /nfs/dbraw/zinc/53/85/08/608538508.db2.gz GGTBIVDKBNVXHV-UHFFFAOYSA-N -1 3 356.821 3.172 20 30 FGEDHM CC(CCc1ccccc1F)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824412527 608540355 /nfs/dbraw/zinc/54/03/55/608540355.db2.gz AHJYNMOIFGLPMK-UHFFFAOYSA-N -1 3 359.796 3.475 20 30 FGEDHM CC(CCc1ccccc1F)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824412527 608540358 /nfs/dbraw/zinc/54/03/58/608540358.db2.gz AHJYNMOIFGLPMK-UHFFFAOYSA-N -1 3 359.796 3.475 20 30 FGEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC[C@@H]2CCCc3ccccc32)n1 ZINC000826350194 608541118 /nfs/dbraw/zinc/54/11/18/608541118.db2.gz LPCAZDLUPMCYRB-LBPRGKRZSA-N -1 3 353.817 3.433 20 30 FGEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC[C@@H]2CCCc3ccccc32)n1 ZINC000826350194 608541120 /nfs/dbraw/zinc/54/11/20/608541120.db2.gz LPCAZDLUPMCYRB-LBPRGKRZSA-N -1 3 353.817 3.433 20 30 FGEDHM C=CCN(Cc1nc2c(s1)CCC2)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914189 608581755 /nfs/dbraw/zinc/58/17/55/608581755.db2.gz CXDDGIIEHLPHPM-UHFFFAOYSA-N -1 3 352.467 3.000 20 30 FGEDHM C=CCN(Cc1nc2c(s1)CCC2)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914189 608581756 /nfs/dbraw/zinc/58/17/56/608581756.db2.gz CXDDGIIEHLPHPM-UHFFFAOYSA-N -1 3 352.467 3.000 20 30 FGEDHM C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824723006 609256094 /nfs/dbraw/zinc/25/60/94/609256094.db2.gz LZVBAURATOCPND-ZDUSSCGKSA-N -1 3 359.389 3.340 20 30 FGEDHM C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000824723006 609256095 /nfs/dbraw/zinc/25/60/95/609256095.db2.gz LZVBAURATOCPND-ZDUSSCGKSA-N -1 3 359.389 3.340 20 30 FGEDHM O=C(/C=C\c1c(Cl)nc2sccn12)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399689 609270562 /nfs/dbraw/zinc/27/05/62/609270562.db2.gz CKQOBWVSAIAZBY-ARJAWSKDSA-N -1 3 374.788 3.265 20 30 FGEDHM O=C(C=Cc1cccc(-n2cccn2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401487 609271002 /nfs/dbraw/zinc/27/10/02/609271002.db2.gz ZYISUXZFZAHNAW-YVMONPNESA-N -1 3 360.352 3.088 20 30 FGEDHM O=C(C=Cc1cccc(-n2cccn2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401487 609271004 /nfs/dbraw/zinc/27/10/04/609271004.db2.gz ZYISUXZFZAHNAW-YVMONPNESA-N -1 3 360.352 3.088 20 30 FGEDHM N#CCC1CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000826380555 609385967 /nfs/dbraw/zinc/38/59/67/609385967.db2.gz DZZRZCPVBNFNKG-UHFFFAOYSA-N -1 3 353.817 3.198 20 30 FGEDHM N#CCC1CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000826380555 609385969 /nfs/dbraw/zinc/38/59/69/609385969.db2.gz DZZRZCPVBNFNKG-UHFFFAOYSA-N -1 3 353.817 3.198 20 30 FGEDHM Cc1cc(N2CCC(CC#N)CC2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826269637 609387619 /nfs/dbraw/zinc/38/76/19/609387619.db2.gz RVABMPGXDZOOPO-UHFFFAOYSA-N -1 3 372.436 3.106 20 30 FGEDHM Cc1cc(N2CCC(CC#N)CC2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826269637 609387620 /nfs/dbraw/zinc/38/76/20/609387620.db2.gz RVABMPGXDZOOPO-UHFFFAOYSA-N -1 3 372.436 3.106 20 30 FGEDHM C#CCCOc1ccc(CNc2cc(-c3nnn[n-]3)ccc2OCC)cc1 ZINC000823845387 609475962 /nfs/dbraw/zinc/47/59/62/609475962.db2.gz QIHKITPXAFUGAE-UHFFFAOYSA-N -1 3 363.421 3.280 20 30 FGEDHM C#CCCOc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OCC)cc1 ZINC000823845387 609475963 /nfs/dbraw/zinc/47/59/63/609475963.db2.gz QIHKITPXAFUGAE-UHFFFAOYSA-N -1 3 363.421 3.280 20 30 FGEDHM COc1ccc([C@H](O)C/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000032069255 695741546 /nfs/dbraw/zinc/74/15/46/695741546.db2.gz LMKZYRBIJFFHLB-TWIVVOHQSA-N -1 3 350.212 3.316 20 30 FGEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CCN(c2ncccc2F)C1 ZINC000132468634 700827845 /nfs/dbraw/zinc/82/78/45/700827845.db2.gz FLGMXFMGHNIPGK-PCQWDSEFSA-N -1 3 364.218 3.387 20 30 FGEDHM O=C(CC/N=C/c1cc(Br)ccc1[O-])N1CCCCCC1 ZINC000194659622 713529889 /nfs/dbraw/zinc/52/98/89/713529889.db2.gz CNYKMXSZEQBCFK-LDADJPATSA-N -1 3 353.260 3.366 20 30 FGEDHM O=S1(=O)CCCN1c1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000255215841 713688133 /nfs/dbraw/zinc/68/81/33/713688133.db2.gz QZQBGDUIGFBVFF-UHFFFAOYSA-N -1 3 350.827 3.336 20 30 FGEDHM [O-]c1c(O)ccc(C=Nc2cccc(F)c2I)c1O ZINC000255738267 713706013 /nfs/dbraw/zinc/70/60/13/713706013.db2.gz GZKKPPQVVMPSLB-UHFFFAOYSA-N -1 3 373.121 3.298 20 30 FGEDHM N#CC1(NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CCCCC1 ZINC000522152137 714173059 /nfs/dbraw/zinc/17/30/59/714173059.db2.gz FVDAMJQSLLFTTM-UHFFFAOYSA-N -1 3 374.238 3.247 20 30 FGEDHM Cc1nc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)sc1SCC#N ZINC000525103193 714319700 /nfs/dbraw/zinc/31/97/00/714319700.db2.gz SFUUXZMKYGQYCH-UHFFFAOYSA-N -1 3 370.459 3.469 20 30 FGEDHM CC[C@](C)([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1nc(C)cs1 ZINC000525702618 714369980 /nfs/dbraw/zinc/36/99/80/714369980.db2.gz STBNGVCUIOPUER-HNNXBMFYSA-N -1 3 353.444 3.066 20 30 FGEDHM C=C(C)CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000803281215 724441742 /nfs/dbraw/zinc/44/17/42/724441742.db2.gz KQZAWSNMXLDTJZ-UHFFFAOYSA-N -1 3 352.387 3.078 20 30 FGEDHM C#C[C@@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccc(Cl)cc1F ZINC000804418046 724513740 /nfs/dbraw/zinc/51/37/40/724513740.db2.gz AWKNPMWAOKPMJH-CQSZACIVSA-N -1 3 363.772 3.306 20 30 FGEDHM COc1ccc2[nH]c3c(c2c1)CC(=NNc1cnnc([O-])c1Cl)CC3 ZINC000782225682 724640311 /nfs/dbraw/zinc/64/03/11/724640311.db2.gz WVUFXYZQQLYLJF-UHFFFAOYSA-N -1 3 357.801 3.282 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1csc(C2CC2)n1 ZINC000782547402 724681577 /nfs/dbraw/zinc/68/15/77/724681577.db2.gz BKNOVTNYXRATQT-UHFFFAOYSA-N -1 3 357.435 3.286 20 30 FGEDHM C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1cccc(Br)c1[O-] ZINC000730363520 722467784 /nfs/dbraw/zinc/46/77/84/722467784.db2.gz AIFNCDSFHFJKJL-NSHDSACASA-N -1 3 370.243 3.125 20 30 FGEDHM Cc1cc(C(C#N)=C([O-])c2cc(Cl)nc(N3CCCC3)c2)nc(C)n1 ZINC000733054164 722491772 /nfs/dbraw/zinc/49/17/72/722491772.db2.gz ZGHNVBJBUJSNFA-CQSZACIVSA-N -1 3 355.829 3.232 20 30 FGEDHM CC(C)c1ccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000746492453 722604829 /nfs/dbraw/zinc/60/48/29/722604829.db2.gz WIRCRYQEXZSECJ-UHFFFAOYSA-N -1 3 361.423 3.172 20 30 FGEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)O[C@H](C)CCC ZINC000748106847 722675995 /nfs/dbraw/zinc/67/59/95/722675995.db2.gz XFUAYFBFFPFQFZ-HIFRSBDPSA-N -1 3 366.483 3.016 20 30 FGEDHM COc1cccc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)n1 ZINC000752160269 722846890 /nfs/dbraw/zinc/84/68/90/722846890.db2.gz INIBFQINQAOYBB-GFCCVEGCSA-N -1 3 364.188 3.358 20 30 FGEDHM CCCCCCCC[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)OC ZINC000754809079 722946132 /nfs/dbraw/zinc/94/61/32/722946132.db2.gz SNVKIDSDKULEGK-UHFFFAOYSA-N -1 3 362.879 3.160 20 30 FGEDHM C#CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000756973530 722972726 /nfs/dbraw/zinc/97/27/26/722972726.db2.gz CFUYECDSVUIQGN-CQSZACIVSA-N -1 3 364.810 3.291 20 30 FGEDHM Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCSCC3)cc2)ccc1C#N ZINC000766546813 723580029 /nfs/dbraw/zinc/58/00/29/723580029.db2.gz DTGNGSZQTITOAH-UHFFFAOYSA-N -1 3 373.503 3.221 20 30 FGEDHM C#C[C@H](CC)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000770376641 723712280 /nfs/dbraw/zinc/71/22/80/723712280.db2.gz JHOCPEOZGLPENF-SECBINFHSA-N -1 3 370.190 3.158 20 30 FGEDHM CC(C)Oc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)nc1 ZINC000774042199 723852100 /nfs/dbraw/zinc/85/21/00/723852100.db2.gz DPZUNUKYJHORHU-OAHLLOKOSA-N -1 3 357.797 3.483 20 30 FGEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cc2sccc2c([O-])c1 ZINC000786139431 724962612 /nfs/dbraw/zinc/96/26/12/724962612.db2.gz HDFOCKGNSMDFFQ-ADLMAVQZSA-N -1 3 360.435 3.207 20 30 FGEDHM Cc1cn2c(C=N[N-]c3nnc(-c4ccccn4)s3)c(C)nc2s1 ZINC000788031348 725042079 /nfs/dbraw/zinc/04/20/79/725042079.db2.gz DKWJAZLKHDEJHO-UHFFFAOYSA-N -1 3 355.452 3.372 20 30 FGEDHM CCOc1cc(C=NNCCc2ccncc2)cc(Br)c1[O-] ZINC000789086721 725108477 /nfs/dbraw/zinc/10/84/77/725108477.db2.gz YJUSZXACQMWJIU-UHFFFAOYSA-N -1 3 364.243 3.115 20 30 FGEDHM CC(C)(C)c1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000808979315 725221896 /nfs/dbraw/zinc/22/18/96/725221896.db2.gz HPQVZJAYFRUBNN-AWEZNQCLSA-N -1 3 356.813 3.389 20 30 FGEDHM CC(C)(O)c1cnc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)s1 ZINC000811615072 725374925 /nfs/dbraw/zinc/37/49/25/725374925.db2.gz DNZKIURNBIMDLC-UHFFFAOYSA-N -1 3 354.391 3.149 20 30 FGEDHM C#C[C@@H]([N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000812525982 725399219 /nfs/dbraw/zinc/39/92/19/725399219.db2.gz UCPKVJAEGSRDGQ-OAHLLOKOSA-N -1 3 362.382 3.004 20 30 FGEDHM Cc1cc(Br)c([O-])c(CN=Nc2nc(-c3cccnc3)no2)c1 ZINC000814950064 727014200 /nfs/dbraw/zinc/01/42/00/727014200.db2.gz OPNPDDYPGJDIRV-UHFFFAOYSA-N -1 3 374.198 3.354 20 30 FGEDHM CC(C)c1ccc(-c2nc(C(=O)N[C@H]3CCCN([O-])C3=O)cs2)cc1 ZINC000816753926 727193148 /nfs/dbraw/zinc/19/31/48/727193148.db2.gz RZOFCLSVLBDLIR-AWEZNQCLSA-N -1 3 359.451 3.044 20 30 FGEDHM O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)N[C@@H]1CCCN([O-])C1=O ZINC000820471342 728997519 /nfs/dbraw/zinc/99/75/19/728997519.db2.gz SYQKXOIHJSQDTJ-WKTRQSJXSA-N -1 3 360.410 3.064 20 30 FGEDHM O=C(/C=C\c1ccc(-c2ccc(F)cc2)s1)N[C@H]1CCCN([O-])C1=O ZINC000820471343 728997578 /nfs/dbraw/zinc/99/75/78/728997578.db2.gz SYQKXOIHJSQDTJ-WWRUEGTHSA-N -1 3 360.410 3.064 20 30 FGEDHM O=C(/C=C/c1cc(-c2nn[n-]n2)cs1)c1c(Cl)nc2sccn21 ZINC000822922611 729232787 /nfs/dbraw/zinc/23/27/87/729232787.db2.gz ICYNYRAOSDRXKB-OWOJBTEDSA-N -1 3 362.827 3.187 20 30 FGEDHM C=CCCOCCCCC(=O)N(C)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000823899037 729311886 /nfs/dbraw/zinc/31/18/86/729311886.db2.gz IPILNDWJRYBUSY-UHFFFAOYSA-N -1 3 363.849 3.246 20 30 FGEDHM C=CCCOCCCCC(=O)N(C)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000823899037 729311889 /nfs/dbraw/zinc/31/18/89/729311889.db2.gz IPILNDWJRYBUSY-UHFFFAOYSA-N -1 3 363.849 3.246 20 30 FGEDHM O=C1c2cc(Cl)ccc2OCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826476001 729408439 /nfs/dbraw/zinc/40/84/39/729408439.db2.gz YLJTZFKFBKRDEZ-YHYXMXQVSA-N -1 3 356.744 3.318 20 30 FGEDHM O=C1c2cc(Cl)ccc2OCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826476001 729408440 /nfs/dbraw/zinc/40/84/40/729408440.db2.gz YLJTZFKFBKRDEZ-YHYXMXQVSA-N -1 3 356.744 3.318 20 30 FGEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000832170434 729694717 /nfs/dbraw/zinc/69/47/17/729694717.db2.gz NTPPBVGITNLGMP-UHFFFAOYSA-N -1 3 366.252 3.087 20 30 FGEDHM N#CC(C(=O)CSCc1cscn1)=C([O-])C1(c2ccccc2)CC1 ZINC000845842568 730902028 /nfs/dbraw/zinc/90/20/28/730902028.db2.gz VLCMONBIENJKNJ-HNNXBMFYSA-N -1 3 356.472 3.386 20 30 FGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CSCc1cscn1 ZINC000845842568 730902029 /nfs/dbraw/zinc/90/20/29/730902029.db2.gz VLCMONBIENJKNJ-HNNXBMFYSA-N -1 3 356.472 3.386 20 30 FGEDHM C=C[C@H](C)O[N-]C(=O)CCC(=O)c1cc(Br)ccc1OC ZINC000846541472 730962195 /nfs/dbraw/zinc/96/21/95/730962195.db2.gz HINOKQMXFQYOKX-JTQLQIEISA-N -1 3 356.216 3.043 20 30 FGEDHM C=CCCO[N-]C(=O)Cc1ccc(Br)c(Br)c1 ZINC000856027984 731977321 /nfs/dbraw/zinc/97/73/21/731977321.db2.gz IWPWHCUJIFHXRC-UHFFFAOYSA-N -1 3 363.049 3.378 20 30 FGEDHM C=C(Cl)C[C@H](NCc1nc2cc(C(F)(F)F)ccc2n1C)C(=O)[O-] ZINC000864518607 733071755 /nfs/dbraw/zinc/07/17/55/733071755.db2.gz OLWZZRDEDLXJGG-NSHDSACASA-N -1 3 361.751 3.278 20 30 FGEDHM N#CC(=C([O-])C=CCOC1CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000870379953 733845739 /nfs/dbraw/zinc/84/57/39/733845739.db2.gz NMPDFXGRYLJINF-DDGIKZQJSA-N -1 3 354.328 3.028 20 30 FGEDHM [O-]c1ccc(Br)cc1/C=N/C[C@H]1CCC2(CCOCC2)O1 ZINC000899227645 742894312 /nfs/dbraw/zinc/89/43/12/742894312.db2.gz PBYBLEBMHIBYCX-YFEUJDIGSA-N -1 3 354.244 3.302 20 30 FGEDHM Cc1nc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)sc1C ZINC000901144320 743228041 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/nfs/dbraw/zinc/50/72/04/506507204.db2.gz KDMTZBJVZKICTB-QMMMGPOBSA-N -1 3 351.291 3.036 20 30 FGEDHM COC(=O)Cc1cccc(C([O-])=C(C#N)c2cc(C(F)(F)F)ccn2)c1 ZINC000589794977 506650292 /nfs/dbraw/zinc/65/02/92/506650292.db2.gz IJZFTRSRWKYNQS-CQSZACIVSA-N -1 3 362.307 3.306 20 30 FGEDHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1ccsc1C#N)c1ccsc1 ZINC000593529128 506671478 /nfs/dbraw/zinc/67/14/78/506671478.db2.gz WIZJZQUHHFTMLP-ZDUSSCGKSA-N -1 3 369.537 3.043 20 30 FGEDHM N#Cc1cccc(COc2ccc(N=c3ncnc4[nH][n-]cc3-4)cc2F)c1 ZINC000609111808 506779073 /nfs/dbraw/zinc/77/90/73/506779073.db2.gz JCWOWVYTMGVTHZ-UHFFFAOYSA-N -1 3 360.352 3.060 20 30 FGEDHM COc1ccccc1-c1nc(NC(=O)c2cc3ccccc3n2CC#N)n[n-]1 ZINC000609166059 506800890 /nfs/dbraw/zinc/80/08/90/506800890.db2.gz BTXZCZKNKGZRTE-UHFFFAOYSA-N -1 3 372.388 3.211 20 30 FGEDHM N#Cc1ccc(OCC(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)cc1 ZINC000604522034 506860076 /nfs/dbraw/zinc/86/00/76/506860076.db2.gz JCLDAVAZECQBTO-UHFFFAOYSA-N -1 3 352.781 3.041 20 30 FGEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000583582389 506862227 /nfs/dbraw/zinc/86/22/27/506862227.db2.gz IVFQVLAPUCETGJ-UHFFFAOYSA-N -1 3 351.291 3.119 20 30 FGEDHM C=CCN(CC=C)[C@H](CNC(=O)N=c1nc(C(C)(C)C)[n-]s1)C(C)C ZINC000604802025 506949434 /nfs/dbraw/zinc/94/94/34/506949434.db2.gz ZCXXDOMEKIJOBZ-CQSZACIVSA-N -1 3 365.547 3.078 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2cccc(F)c2[C@@H]1C ZINC000609978665 507060204 /nfs/dbraw/zinc/06/02/04/507060204.db2.gz HNRQZIZQMPFHTC-AWEZNQCLSA-N -1 3 367.424 3.493 20 30 FGEDHM CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594758467 507269944 /nfs/dbraw/zinc/26/99/44/507269944.db2.gz RPKYWPCDPMVHPP-FZMZJTMJSA-N -1 3 366.508 3.157 20 30 FGEDHM CO[C@H]([C@@H](C)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)C1CC1 ZINC000594780485 507279557 /nfs/dbraw/zinc/27/95/57/507279557.db2.gz PHOMYEJFKMZJPI-BDJLRTHQSA-N -1 3 364.492 3.173 20 30 FGEDHM N#CC1(C[N-]S(=O)(=O)Cc2ccccc2Br)CCCCC1 ZINC000594884327 507304385 /nfs/dbraw/zinc/30/43/85/507304385.db2.gz OFJIXXBPJAZNPU-UHFFFAOYSA-N -1 3 371.300 3.343 20 30 FGEDHM N#CC1(CSc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)CCC1 ZINC000594929773 507319636 /nfs/dbraw/zinc/31/96/36/507319636.db2.gz ZGCBKDZKSWMZQV-UHFFFAOYSA-N -1 3 351.435 3.366 20 30 FGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1cccc(Cl)c1Cl ZINC000611017932 507485337 /nfs/dbraw/zinc/48/53/37/507485337.db2.gz DFBNOAOTDOZBKD-UHFFFAOYSA-N -1 3 359.209 3.483 20 30 FGEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000611113630 507520488 /nfs/dbraw/zinc/52/04/88/507520488.db2.gz BTEVIMHGRKOZTO-JTQLQIEISA-N -1 3 365.680 3.319 20 30 FGEDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@H](C#N)CC(C)C)s1 ZINC000611113939 507520656 /nfs/dbraw/zinc/52/06/56/507520656.db2.gz SJZSVSSZPANWJU-VIFPVBQESA-N -1 3 351.291 3.036 20 30 FGEDHM C=CC[C@H](C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])c1ccccc1 ZINC000614828740 507667509 /nfs/dbraw/zinc/66/75/09/507667509.db2.gz XCGTUKSTEZYISW-UXLLHSPISA-N -1 3 367.449 3.226 20 30 FGEDHM CCCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1cccnc1 ZINC000602380455 507687974 /nfs/dbraw/zinc/68/79/74/507687974.db2.gz UXGQOEOCLMAVHQ-UHFFFAOYSA-N -1 3 352.438 3.437 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)C1CCCC1 ZINC000735420700 598879400 /nfs/dbraw/zinc/87/94/00/598879400.db2.gz QMSDDVXTUCTCMJ-AWEZNQCLSA-N -1 3 354.458 3.143 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)C1CCCC1 ZINC000735420700 598879402 /nfs/dbraw/zinc/87/94/02/598879402.db2.gz QMSDDVXTUCTCMJ-AWEZNQCLSA-N -1 3 354.458 3.143 20 30 FGEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1csc(-c2ccccc2)n1 ZINC000819718850 607252975 /nfs/dbraw/zinc/25/29/75/607252975.db2.gz TVDAVTGFOKGASJ-UHFFFAOYSA-N -1 3 361.434 3.114 20 30 FGEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2ccccc2)n1 ZINC000819718850 607252976 /nfs/dbraw/zinc/25/29/76/607252976.db2.gz TVDAVTGFOKGASJ-UHFFFAOYSA-N -1 3 361.434 3.114 20 30 FGEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cc(C)ccc1OC(F)F ZINC000819772257 607253152 /nfs/dbraw/zinc/25/31/52/607253152.db2.gz BMMNKYSBMWZQSE-UHFFFAOYSA-N -1 3 372.379 3.290 20 30 FGEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cc(C)ccc1OC(F)F ZINC000819772257 607253153 /nfs/dbraw/zinc/25/31/53/607253153.db2.gz BMMNKYSBMWZQSE-UHFFFAOYSA-N -1 3 372.379 3.290 20 30 FGEDHM Cc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(OC(F)F)cc1C ZINC000822198882 607253281 /nfs/dbraw/zinc/25/32/81/607253281.db2.gz MVSJBQYPIFZTOR-UHFFFAOYSA-N -1 3 372.379 3.209 20 30 FGEDHM Cc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(OC(F)F)cc1C ZINC000822198882 607253282 /nfs/dbraw/zinc/25/32/82/607253282.db2.gz MVSJBQYPIFZTOR-UHFFFAOYSA-N -1 3 372.379 3.209 20 30 FGEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCCc1ccc(Cl)cc1 ZINC000737703668 598938900 /nfs/dbraw/zinc/93/89/00/598938900.db2.gz AFLCRPACVSFVTE-UHFFFAOYSA-N -1 3 371.857 3.094 20 30 FGEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCCc1ccc(Cl)cc1 ZINC000737703668 598938902 /nfs/dbraw/zinc/93/89/02/598938902.db2.gz AFLCRPACVSFVTE-UHFFFAOYSA-N -1 3 371.857 3.094 20 30 FGEDHM FC(F)(F)COc1ccccc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000737626697 599129101 /nfs/dbraw/zinc/12/91/01/599129101.db2.gz JZUGIWZHIQTPEQ-UHFFFAOYSA-N -1 3 362.315 3.254 20 30 FGEDHM COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000737096246 599154333 /nfs/dbraw/zinc/15/43/33/599154333.db2.gz AOKRRKZQGAOGMF-UTCJRWHESA-N -1 3 370.796 3.433 20 30 FGEDHM COc1ccc(Cl)cc1C(=O)C=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000737096246 599154336 /nfs/dbraw/zinc/15/43/36/599154336.db2.gz AOKRRKZQGAOGMF-UTCJRWHESA-N -1 3 370.796 3.433 20 30 FGEDHM CCOc1cccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000736650639 599154423 /nfs/dbraw/zinc/15/44/23/599154423.db2.gz GCKMJRJCGAQDFG-VQHVLOKHSA-N -1 3 350.378 3.170 20 30 FGEDHM CCOc1cccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000736650639 599154425 /nfs/dbraw/zinc/15/44/25/599154425.db2.gz GCKMJRJCGAQDFG-VQHVLOKHSA-N -1 3 350.378 3.170 20 30 FGEDHM N#Cc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1-c1nnn[n-]1 ZINC000737719389 599193165 /nfs/dbraw/zinc/19/31/65/599193165.db2.gz TYMMECFXXLAULA-UHFFFAOYSA-N -1 3 358.405 3.189 20 30 FGEDHM N#Cc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1-c1nn[n-]n1 ZINC000737719389 599193167 /nfs/dbraw/zinc/19/31/67/599193167.db2.gz TYMMECFXXLAULA-UHFFFAOYSA-N -1 3 358.405 3.189 20 30 FGEDHM C[C@@H]1CCc2c(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)csc2C1 ZINC000736280214 599196828 /nfs/dbraw/zinc/19/68/28/599196828.db2.gz OPDSDQJMODENID-SNVBAGLBSA-N -1 3 364.434 3.177 20 30 FGEDHM C[C@@H]1CCc2c(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)csc2C1 ZINC000736280214 599196830 /nfs/dbraw/zinc/19/68/30/599196830.db2.gz OPDSDQJMODENID-SNVBAGLBSA-N -1 3 364.434 3.177 20 30 FGEDHM CC(C)COc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000735837554 599197345 /nfs/dbraw/zinc/19/73/45/599197345.db2.gz JLUYQONEHUOOQU-UHFFFAOYSA-N -1 3 362.393 3.025 20 30 FGEDHM CC(C)COc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000735837554 599197347 /nfs/dbraw/zinc/19/73/47/599197347.db2.gz JLUYQONEHUOOQU-UHFFFAOYSA-N -1 3 362.393 3.025 20 30 FGEDHM Cc1cccc2c1ncc(C#N)c2N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000737407378 599270682 /nfs/dbraw/zinc/27/06/82/599270682.db2.gz ADHQRZCFWHWUPF-UHFFFAOYSA-N -1 3 355.405 3.231 20 30 FGEDHM Cc1cccc2c1ncc(C#N)c2N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000737407378 599270685 /nfs/dbraw/zinc/27/06/85/599270685.db2.gz ADHQRZCFWHWUPF-UHFFFAOYSA-N -1 3 355.405 3.231 20 30 FGEDHM C#CCOc1cccc([C@@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735381617 598434237 /nfs/dbraw/zinc/43/42/37/598434237.db2.gz WWEGUDAFKDRRRD-AYJWMTRPSA-N -1 3 374.400 3.196 20 30 FGEDHM C#CCOc1cccc([C@@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735381617 598434238 /nfs/dbraw/zinc/43/42/38/598434238.db2.gz WWEGUDAFKDRRRD-AYJWMTRPSA-N -1 3 374.400 3.196 20 30 FGEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000735502277 598495424 /nfs/dbraw/zinc/49/54/24/598495424.db2.gz DEPQTLFQRGHNLX-JTQLQIEISA-N -1 3 370.463 3.432 20 30 FGEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000735502277 598495426 /nfs/dbraw/zinc/49/54/26/598495426.db2.gz DEPQTLFQRGHNLX-JTQLQIEISA-N -1 3 370.463 3.432 20 30 FGEDHM CCc1c(C)sc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1C#N ZINC000736671242 598516763 /nfs/dbraw/zinc/51/67/63/598516763.db2.gz VFTJJCCUMNIPJN-HJWRWDBZSA-N -1 3 364.434 3.323 20 30 FGEDHM CCc1c(C)sc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1C#N ZINC000736671242 598516764 /nfs/dbraw/zinc/51/67/64/598516764.db2.gz VFTJJCCUMNIPJN-HJWRWDBZSA-N -1 3 364.434 3.323 20 30 FGEDHM C=CCN(C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C)C(C)C ZINC000735416161 598750852 /nfs/dbraw/zinc/75/08/52/598750852.db2.gz CSOGCPRXZJQWKP-UHFFFAOYSA-N -1 3 364.453 3.311 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](CC)OC1CCCC1 ZINC000735419504 598802869 /nfs/dbraw/zinc/80/28/69/598802869.db2.gz TZKYYRKVZSUAEU-GOSISDBHSA-N -1 3 369.469 3.119 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](CC)OC1CCCC1 ZINC000735419504 598802871 /nfs/dbraw/zinc/80/28/71/598802871.db2.gz TZKYYRKVZSUAEU-GOSISDBHSA-N -1 3 369.469 3.119 20 30 FGEDHM N#CC1(C(=O)Nc2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCC1 ZINC000737677526 599375500 /nfs/dbraw/zinc/37/55/00/599375500.db2.gz DDOWIXBHEPOVKL-UHFFFAOYSA-N -1 3 360.377 3.291 20 30 FGEDHM N#CC1(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCC1 ZINC000737677526 599375504 /nfs/dbraw/zinc/37/55/04/599375504.db2.gz DDOWIXBHEPOVKL-UHFFFAOYSA-N -1 3 360.377 3.291 20 30 FGEDHM C=CCCCN(C)C(=O)c1ccc(COc2ccccc2-c2nnn[n-]2)o1 ZINC000735413094 599467675 /nfs/dbraw/zinc/46/76/75/599467675.db2.gz OGNSTQQUPNVLTI-UHFFFAOYSA-N -1 3 367.409 3.077 20 30 FGEDHM C=CCCCN(C)C(=O)c1ccc(COc2ccccc2-c2nn[n-]n2)o1 ZINC000735413094 599467676 /nfs/dbraw/zinc/46/76/76/599467676.db2.gz OGNSTQQUPNVLTI-UHFFFAOYSA-N -1 3 367.409 3.077 20 30 FGEDHM CC1(C)C(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@@H]2CCO[C@@H]21 ZINC000736204731 599535188 /nfs/dbraw/zinc/53/51/88/599535188.db2.gz GQEJCOJJAUCICK-GWCFXTLKSA-N -1 3 366.347 3.098 20 30 FGEDHM CC1(C)C(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@@H]2CCO[C@@H]21 ZINC000736204731 599535190 /nfs/dbraw/zinc/53/51/90/599535190.db2.gz GQEJCOJJAUCICK-GWCFXTLKSA-N -1 3 366.347 3.098 20 30 FGEDHM O=C(C=Cc1cnc2ccc(Cl)cn12)c1cccc(-c2nnn[n-]2)c1 ZINC000737808423 599538072 /nfs/dbraw/zinc/53/80/72/599538072.db2.gz SPJSUVSAYMKXSQ-AATRIKPKSA-N -1 3 350.769 3.064 20 30 FGEDHM O=C(C=Cc1cnc2ccc(Cl)cn12)c1cccc(-c2nn[n-]n2)c1 ZINC000737808423 599538075 /nfs/dbraw/zinc/53/80/75/599538075.db2.gz SPJSUVSAYMKXSQ-AATRIKPKSA-N -1 3 350.769 3.064 20 30 FGEDHM CCN(CC)c1ccc(/C=[NH+]/CCOc2ccc(C(=O)[O-])cc2)c([O-])c1 ZINC000737088054 599886542 /nfs/dbraw/zinc/88/65/42/599886542.db2.gz GGDHEYRNZDKZOZ-KGENOOAVSA-N -1 3 356.422 3.435 20 30 FGEDHM Cc1cc(C#N)ccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826257177 607432352 /nfs/dbraw/zinc/43/23/52/607432352.db2.gz RBWYULQDPSLYDK-UHFFFAOYSA-N -1 3 372.310 3.318 20 30 FGEDHM Cc1cc(C#N)ccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826257177 607432353 /nfs/dbraw/zinc/43/23/53/607432353.db2.gz RBWYULQDPSLYDK-UHFFFAOYSA-N -1 3 372.310 3.318 20 30 FGEDHM CN(C(=O)OC(C)(C)C)C1CCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000737335775 600570017 /nfs/dbraw/zinc/57/00/17/600570017.db2.gz IVWKFCGMROMGDG-QGZVFWFLSA-N -1 3 373.453 3.015 20 30 FGEDHM COc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC(F)F ZINC000738008089 600593563 /nfs/dbraw/zinc/59/35/63/600593563.db2.gz BGOSBXBCQJZXTD-MRXNPFEDSA-N -1 3 362.332 3.084 20 30 FGEDHM Cc1nn(C(C)C)c(C)c1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822486254 607460152 /nfs/dbraw/zinc/46/01/52/607460152.db2.gz DFHBJAXZEGFAPJ-BQYQJAHWSA-N -1 3 354.389 3.296 20 30 FGEDHM Cc1nn(C(C)C)c(C)c1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822486254 607460153 /nfs/dbraw/zinc/46/01/53/607460153.db2.gz DFHBJAXZEGFAPJ-BQYQJAHWSA-N -1 3 354.389 3.296 20 30 FGEDHM CC(C)(C)n1ncc2c1CCC[C@@H]2N[C@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736309729 601100721 /nfs/dbraw/zinc/10/07/21/601100721.db2.gz HEDGCYAPAAIIJO-WMZOPIPTSA-N -1 3 352.438 3.303 20 30 FGEDHM N#CC(C(=O)Nc1cccc2ccccc21)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833064606 601236853 /nfs/dbraw/zinc/23/68/53/601236853.db2.gz SVWLXTJXMKYHJY-UXLLHSPISA-N -1 3 364.401 3.378 20 30 FGEDHM N#Cc1cccc([C@H](NCc2ccc(Br)s2)C(=O)[O-])c1 ZINC000833076227 601299927 /nfs/dbraw/zinc/29/99/27/601299927.db2.gz SAKFTPSUDZCCPU-ZDUSSCGKSA-N -1 3 351.225 3.298 20 30 FGEDHM COc1ccc(CSc2nc(C)cc(C)c2C#N)cc1-c1nnn[n-]1 ZINC000826208170 607541300 /nfs/dbraw/zinc/54/13/00/607541300.db2.gz WUKWYGGKLZDLRW-UHFFFAOYSA-N -1 3 352.423 3.051 20 30 FGEDHM COc1ccc(CSc2nc(C)cc(C)c2C#N)cc1-c1nn[n-]n1 ZINC000826208170 607541302 /nfs/dbraw/zinc/54/13/02/607541302.db2.gz WUKWYGGKLZDLRW-UHFFFAOYSA-N -1 3 352.423 3.051 20 30 FGEDHM COc1ccc(Br)c(C=NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826186973 607652695 /nfs/dbraw/zinc/65/26/95/607652695.db2.gz SNGZKMVFOBVUDB-UHFFFAOYSA-N -1 3 373.214 3.084 20 30 FGEDHM COc1ccc(Br)c(C=NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826186973 607652696 /nfs/dbraw/zinc/65/26/96/607652696.db2.gz SNGZKMVFOBVUDB-UHFFFAOYSA-N -1 3 373.214 3.084 20 30 FGEDHM N#C[C@H](OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000822801812 606206083 /nfs/dbraw/zinc/20/60/83/606206083.db2.gz PCCNKEQKLNDEBP-KRWDZBQOSA-N -1 3 361.361 3.118 20 30 FGEDHM N#C[C@H](OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000822801812 606206085 /nfs/dbraw/zinc/20/60/85/606206085.db2.gz PCCNKEQKLNDEBP-KRWDZBQOSA-N -1 3 361.361 3.118 20 30 FGEDHM N#Cc1c(COc2cc(Cl)ccc2-c2nnn[n-]2)cn2ccccc12 ZINC000822818518 606783826 /nfs/dbraw/zinc/78/38/26/606783826.db2.gz BETOSPXQAAXHEA-UHFFFAOYSA-N -1 3 350.769 3.223 20 30 FGEDHM N#Cc1c(COc2cc(Cl)ccc2-c2nn[n-]n2)cn2ccccc12 ZINC000822818518 606783827 /nfs/dbraw/zinc/78/38/27/606783827.db2.gz BETOSPXQAAXHEA-UHFFFAOYSA-N -1 3 350.769 3.223 20 30 FGEDHM Cc1c(C(=O)C=Cc2cnc(C(C)C)s2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822016224 606933154 /nfs/dbraw/zinc/93/31/54/606933154.db2.gz WJVPNJFIEUYNHD-SREVYHEPSA-N -1 3 368.466 3.399 20 30 FGEDHM Cc1c(C(=O)C=Cc2cnc(C(C)C)s2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822016224 606933155 /nfs/dbraw/zinc/93/31/55/606933155.db2.gz WJVPNJFIEUYNHD-SREVYHEPSA-N -1 3 368.466 3.399 20 30 FGEDHM O=C1C(=Cc2cccc(-n3cccn3)c2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504583 607149522 /nfs/dbraw/zinc/14/95/22/607149522.db2.gz RPHAHLOZVNQCLY-WJDWOHSUSA-N -1 3 368.400 3.265 20 30 FGEDHM O=C1C(=Cc2cccc(-n3cccn3)c2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823504583 607149524 /nfs/dbraw/zinc/14/95/24/607149524.db2.gz RPHAHLOZVNQCLY-WJDWOHSUSA-N -1 3 368.400 3.265 20 30 FGEDHM O=C(C=Cc1cc(O)ccc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000822922901 607251662 /nfs/dbraw/zinc/25/16/62/607251662.db2.gz KVMWBZNEEKWNRM-VMPITWQZSA-N -1 3 371.194 3.231 20 30 FGEDHM O=C(C=Cc1cc(O)ccc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000822922901 607251663 /nfs/dbraw/zinc/25/16/63/607251663.db2.gz KVMWBZNEEKWNRM-VMPITWQZSA-N -1 3 371.194 3.231 20 30 FGEDHM CCN(C(=O)c1cccc(CC#N)c1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825385292 607879067 /nfs/dbraw/zinc/87/90/67/607879067.db2.gz BOHGJJMNALBNPC-UHFFFAOYSA-N -1 3 366.812 3.253 20 30 FGEDHM CCN(C(=O)c1cccc(CC#N)c1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825385292 607879068 /nfs/dbraw/zinc/87/90/68/607879068.db2.gz BOHGJJMNALBNPC-UHFFFAOYSA-N -1 3 366.812 3.253 20 30 FGEDHM Clc1ccc(-c2noc(N=NCc3ccccc3-c3nnn[n-]3)n2)cc1 ZINC000826351420 607888677 /nfs/dbraw/zinc/88/86/77/607888677.db2.gz LZHZJFYOJPLWRF-UHFFFAOYSA-N -1 3 366.772 3.016 20 30 FGEDHM Clc1ccc(-c2noc(N=NCc3ccccc3-c3nn[n-]n3)n2)cc1 ZINC000826351420 607888678 /nfs/dbraw/zinc/88/86/78/607888678.db2.gz LZHZJFYOJPLWRF-UHFFFAOYSA-N -1 3 366.772 3.016 20 30 FGEDHM Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826281273 607915825 /nfs/dbraw/zinc/91/58/25/607915825.db2.gz LIJZOOXCRSHXGR-DAXSKMNVSA-N -1 3 353.313 3.119 20 30 FGEDHM Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826281273 607915826 /nfs/dbraw/zinc/91/58/26/607915826.db2.gz LIJZOOXCRSHXGR-DAXSKMNVSA-N -1 3 353.313 3.119 20 30 FGEDHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000823944138 608004447 /nfs/dbraw/zinc/00/44/47/608004447.db2.gz YKINPDSFLNSINB-DHZHZOJOSA-N -1 3 364.796 3.434 20 30 FGEDHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000823944138 608004448 /nfs/dbraw/zinc/00/44/48/608004448.db2.gz YKINPDSFLNSINB-DHZHZOJOSA-N -1 3 364.796 3.434 20 30 FGEDHM CCSc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000825673760 608158227 /nfs/dbraw/zinc/15/82/27/608158227.db2.gz APSYMWQKRXUCJO-UHFFFAOYSA-N -1 3 350.407 3.103 20 30 FGEDHM CCSc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000825673760 608158229 /nfs/dbraw/zinc/15/82/29/608158229.db2.gz APSYMWQKRXUCJO-UHFFFAOYSA-N -1 3 350.407 3.103 20 30 FGEDHM N#Cc1ccc(C2=CCN(c3c(F)cc(-c4nnn[n-]4)cc3F)CC2)cc1 ZINC000826385057 608444184 /nfs/dbraw/zinc/44/41/84/608444184.db2.gz VHQUKICUMVOJSH-UHFFFAOYSA-N -1 3 364.359 3.310 20 30 FGEDHM N#Cc1ccc(C2=CCN(c3c(F)cc(-c4nn[n-]n4)cc3F)CC2)cc1 ZINC000826385057 608444186 /nfs/dbraw/zinc/44/41/86/608444186.db2.gz VHQUKICUMVOJSH-UHFFFAOYSA-N -1 3 364.359 3.310 20 30 FGEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1nc2c(s1)CCCC2 ZINC000823958844 608538645 /nfs/dbraw/zinc/53/86/45/608538645.db2.gz YXAOVIZSJAJHFS-UHFFFAOYSA-N -1 3 374.861 3.087 20 30 FGEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1nc2c(s1)CCCC2 ZINC000823958844 608538647 /nfs/dbraw/zinc/53/86/47/608538647.db2.gz YXAOVIZSJAJHFS-UHFFFAOYSA-N -1 3 374.861 3.087 20 30 FGEDHM C=CCN(Cc1occc1Br)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914905 608632565 /nfs/dbraw/zinc/63/25/65/608632565.db2.gz OJEXIBUQMZFAAE-UHFFFAOYSA-N -1 3 374.242 3.410 20 30 FGEDHM C=CCN(Cc1occc1Br)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914905 608632566 /nfs/dbraw/zinc/63/25/66/608632566.db2.gz OJEXIBUQMZFAAE-UHFFFAOYSA-N -1 3 374.242 3.410 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cccc(OC)c1OC ZINC000823915519 608633305 /nfs/dbraw/zinc/63/33/05/608633305.db2.gz YYXOKMLIAIAZIZ-UHFFFAOYSA-N -1 3 365.437 3.072 20 30 FGEDHM C[C@H](CC#N)N(C)Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000824385581 608679827 /nfs/dbraw/zinc/67/98/27/608679827.db2.gz XALXPBURFVCFMD-OAHLLOKOSA-N -1 3 362.437 3.180 20 30 FGEDHM C[C@H](CC#N)N(C)Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000824385581 608679828 /nfs/dbraw/zinc/67/98/28/608679828.db2.gz XALXPBURFVCFMD-OAHLLOKOSA-N -1 3 362.437 3.180 20 30 FGEDHM CCN(C)c1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000825395880 608879351 /nfs/dbraw/zinc/87/93/51/608879351.db2.gz XKDHXMZKVZADJB-WZUFQYTHSA-N -1 3 351.385 3.358 20 30 FGEDHM CCN(C)c1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000825395880 608879353 /nfs/dbraw/zinc/87/93/53/608879353.db2.gz XKDHXMZKVZADJB-WZUFQYTHSA-N -1 3 351.385 3.358 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000826234226 608879597 /nfs/dbraw/zinc/87/95/97/608879597.db2.gz MZWUNMRYJOBWPI-SOFGYWHQSA-N -1 3 353.313 3.119 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000826234226 608879599 /nfs/dbraw/zinc/87/95/99/608879599.db2.gz MZWUNMRYJOBWPI-SOFGYWHQSA-N -1 3 353.313 3.119 20 30 FGEDHM CC(=NNC(=S)Nc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953481 609157071 /nfs/dbraw/zinc/15/70/71/609157071.db2.gz BZJXXMWGKNWMAL-UHFFFAOYSA-N -1 3 369.429 3.025 20 30 FGEDHM CC(=NNC(=S)Nc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953481 609157073 /nfs/dbraw/zinc/15/70/73/609157073.db2.gz BZJXXMWGKNWMAL-UHFFFAOYSA-N -1 3 369.429 3.025 20 30 FGEDHM CCNc1ccc(-c2nn[n-]n2)cc1NCCCOc1cccc(C#N)c1 ZINC000825480609 609177339 /nfs/dbraw/zinc/17/73/39/609177339.db2.gz CKOQSZOBFCOWFW-UHFFFAOYSA-N -1 3 363.425 3.051 20 30 FGEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826400505 609443062 /nfs/dbraw/zinc/44/30/62/609443062.db2.gz ANZLDXNJJWELQD-QPJJXVBHSA-N -1 3 355.741 3.324 20 30 FGEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826400505 609443063 /nfs/dbraw/zinc/44/30/63/609443063.db2.gz ANZLDXNJJWELQD-QPJJXVBHSA-N -1 3 355.741 3.324 20 30 FGEDHM C[C@@H](C#N)Oc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000824034786 609470914 /nfs/dbraw/zinc/47/09/14/609470914.db2.gz PEVUMGVXIQPJJG-NSHDSACASA-N -1 3 367.800 3.257 20 30 FGEDHM C[C@@H](C#N)Oc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000824034786 609470917 /nfs/dbraw/zinc/47/09/17/609470917.db2.gz PEVUMGVXIQPJJG-NSHDSACASA-N -1 3 367.800 3.257 20 30 FGEDHM CC[C@@H](/N=C/c1cc(Cl)ccc1[O-])c1cccc(S(N)(=O)=O)c1 ZINC000103716797 700489491 /nfs/dbraw/zinc/48/94/91/700489491.db2.gz DHLMVVKZBOYDTN-GDXCHIGESA-N -1 3 352.843 3.263 20 30 FGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1ccc(C#N)nc1 ZINC000115904613 700588511 /nfs/dbraw/zinc/58/85/11/700588511.db2.gz HPXWFIQQELGALG-LBPRGKRZSA-N -1 3 359.172 3.221 20 30 FGEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cccc2c1OCO2 ZINC000123454118 700705003 /nfs/dbraw/zinc/70/50/03/700705003.db2.gz NOVLTAFWAGKQKN-NSHDSACASA-N -1 3 360.728 3.169 20 30 FGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2c(Cl)nc3ccccn32)c1 ZINC000127675668 700764719 /nfs/dbraw/zinc/76/47/19/700764719.db2.gz SYUDEOGMJSIYNG-CYBMUJFWSA-N -1 3 352.781 3.257 20 30 FGEDHM O=C1C[C@@H](/N=C\c2cc(Cl)ccc2[O-])CN1CCOc1ccccc1 ZINC000255521884 713698810 /nfs/dbraw/zinc/69/88/10/713698810.db2.gz IJJIFZGXRWPKIE-YQODDJSKSA-N -1 3 358.825 3.144 20 30 FGEDHM N#C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1c(Cl)cccc1Cl ZINC000436552167 714026704 /nfs/dbraw/zinc/02/67/04/714026704.db2.gz CBJOEDXEDQTAGN-LLVKDONJSA-N -1 3 365.172 3.422 20 30 FGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cc(Br)cs1 ZINC000782200891 724637161 /nfs/dbraw/zinc/63/71/61/724637161.db2.gz JUZFZSXZYOCDJD-UHFFFAOYSA-N -1 3 373.297 3.354 20 30 FGEDHM C#CCCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000727040795 722440483 /nfs/dbraw/zinc/44/04/83/722440483.db2.gz UADSUSQZVZJEDQ-UHFFFAOYSA-N -1 3 361.394 3.197 20 30 FGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cnc(N2CCOCC2)s1 ZINC000727974450 722449027 /nfs/dbraw/zinc/44/90/27/722449027.db2.gz KOGYUQMZYOPRBH-UVIKPUKZSA-N -1 3 360.410 3.208 20 30 FGEDHM COc1ccccc1SC[C@H](C)C/N=C/c1c([O-])c(C)ncc1CO ZINC000728785928 722454407 /nfs/dbraw/zinc/45/44/07/722454407.db2.gz UDXJVJUTMKEKIK-RNDVCUHJSA-N -1 3 360.479 3.444 20 30 FGEDHM C=CCCCCCN(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]CC=C)c1 ZINC000739655885 722533591 /nfs/dbraw/zinc/53/35/91/722533591.db2.gz WMZCVEVMDHEHJS-UHFFFAOYSA-N -1 3 368.474 3.108 20 30 FGEDHM CC(CCC1CCCC1)=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000740762033 722537527 /nfs/dbraw/zinc/53/75/27/722537527.db2.gz WMQYRZBBYQXHDA-UHFFFAOYSA-N -1 3 353.444 3.361 20 30 FGEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(OC(F)F)cc1 ZINC000743448363 722567593 /nfs/dbraw/zinc/56/75/93/722567593.db2.gz LOLBWJGXOWNIMZ-UHFFFAOYSA-N -1 3 368.405 3.174 20 30 FGEDHM Cc1cc(N2CCSCC2)ccc1N=Cc1c([O-])c(C)ncc1CO ZINC000747612798 722652497 /nfs/dbraw/zinc/65/24/97/722652497.db2.gz KKEKPNJTCOPTSX-UHFFFAOYSA-N -1 3 357.479 3.200 20 30 FGEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=Cc1ccc(Cl)nc1 ZINC000748779697 722704018 /nfs/dbraw/zinc/70/40/18/722704018.db2.gz CKBQSCCFKFZNQI-CYBMUJFWSA-N -1 3 373.825 3.010 20 30 FGEDHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000758168899 722985369 /nfs/dbraw/zinc/98/53/69/722985369.db2.gz DURJQTJSBJKSIV-MRXNPFEDSA-N -1 3 350.415 3.479 20 30 FGEDHM CCC(=NNC(=S)NCCc1cccs1)c1ccc([O-])c(F)c1 ZINC000764675841 723436483 /nfs/dbraw/zinc/43/64/83/723436483.db2.gz LDNCYEFFXNHXIR-UHFFFAOYSA-N -1 3 351.472 3.414 20 30 FGEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)nc1Cl ZINC000766840968 723595323 /nfs/dbraw/zinc/59/53/23/723595323.db2.gz OPLYDCIMSVPMGD-NSHDSACASA-N -1 3 364.188 3.358 20 30 FGEDHM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000796096716 723620712 /nfs/dbraw/zinc/62/07/12/723620712.db2.gz FXPWGDKXNFEREB-CQSZACIVSA-N -1 3 368.380 3.013 20 30 FGEDHM C=CCOC(=O)c1sc2[n-]c(-c3cc(C)cc(C)n3)nc(=O)c2c1C ZINC000771518192 723736839 /nfs/dbraw/zinc/73/68/39/723736839.db2.gz OVCJCWAFDDVZFA-UHFFFAOYSA-N -1 3 355.419 3.315 20 30 FGEDHM Cc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000776280118 724128053 /nfs/dbraw/zinc/12/80/53/724128053.db2.gz OLVQLHDMBQGRTH-LLVKDONJSA-N -1 3 358.781 3.410 20 30 FGEDHM COc1cc(C(=O)/C=C/c2cccc(Br)n2)c(OC)cc1[O-] ZINC000777921433 724271403 /nfs/dbraw/zinc/27/14/03/724271403.db2.gz XGSRSIVWABAAGW-VOTSOKGWSA-N -1 3 364.195 3.463 20 30 FGEDHM C#C[C@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)C(C)(C)C ZINC000805146321 725053127 /nfs/dbraw/zinc/05/31/27/725053127.db2.gz BUBSBCCFDQRGJF-ZDUSSCGKSA-N -1 3 365.476 3.014 20 30 FGEDHM CC(C)(C)c1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000808980159 725221965 /nfs/dbraw/zinc/22/19/65/725221965.db2.gz VEFPNKSQFHRZMN-LBPRGKRZSA-N -1 3 356.813 3.389 20 30 FGEDHM C#C[C@@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000810099815 725288578 /nfs/dbraw/zinc/28/85/78/725288578.db2.gz PRYDPAHLULLECZ-CQSZACIVSA-N -1 3 364.810 3.209 20 30 FGEDHM C#C[C@H]([N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000810099814 725288604 /nfs/dbraw/zinc/28/86/04/725288604.db2.gz PRYDPAHLULLECZ-AWEZNQCLSA-N -1 3 364.810 3.209 20 30 FGEDHM Cc1cc(Cl)ccc1NC(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811186040 725349575 /nfs/dbraw/zinc/34/95/75/725349575.db2.gz ZYCATVJYBXLLGT-NSHDSACASA-N -1 3 358.781 3.410 20 30 FGEDHM CS(=O)(=O)N(Cc1ccccc1)N=Cc1ccc2ccccc2c1[O-] ZINC000814940672 727013138 /nfs/dbraw/zinc/01/31/38/727013138.db2.gz SPGZLEXAWQFWCU-UHFFFAOYSA-N -1 3 354.431 3.341 20 30 FGEDHM COc1cc(C)c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1OC ZINC000821707650 729107855 /nfs/dbraw/zinc/10/78/55/729107855.db2.gz BSKLAOUNGZYHOF-SNAWJCMRSA-N -1 3 356.407 3.150 20 30 FGEDHM COc1cc(C)c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1OC ZINC000821707650 729107857 /nfs/dbraw/zinc/10/78/57/729107857.db2.gz BSKLAOUNGZYHOF-SNAWJCMRSA-N -1 3 356.407 3.150 20 30 FGEDHM CC(C)(C/N=C/c1cc(Br)ccc1[O-])C1(O)CCOCC1 ZINC000841482290 730247899 /nfs/dbraw/zinc/24/78/99/730247899.db2.gz MBJOHKDPCUNJMG-VCHYOVAHSA-N -1 3 356.260 3.141 20 30 FGEDHM N#CC(C(=O)CSCc1cscn1)=C([O-])C1(c2ccccc2)CC1 ZINC000845842569 730902246 /nfs/dbraw/zinc/90/22/46/730902246.db2.gz VLCMONBIENJKNJ-OAHLLOKOSA-N -1 3 356.472 3.386 20 30 FGEDHM N#CC(C(=O)C1(c2ccccc2)CC1)=C([O-])CSCc1cscn1 ZINC000845842569 730902250 /nfs/dbraw/zinc/90/22/50/730902250.db2.gz VLCMONBIENJKNJ-OAHLLOKOSA-N -1 3 356.472 3.386 20 30 FGEDHM S=c1[n-]c2ccccc2nc1NN=Cc1cnc(N2CCOCC2)s1 ZINC000863129604 732917442 /nfs/dbraw/zinc/91/74/42/732917442.db2.gz VUHOFISMDKXUAY-UHFFFAOYSA-N -1 3 372.479 3.031 20 30 FGEDHM N#CC(=C([O-])C=CCOC1CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000870379954 733845680 /nfs/dbraw/zinc/84/56/80/733845680.db2.gz NMPDFXGRYLJINF-VSZDKKFSSA-N -1 3 354.328 3.028 20 30 FGEDHM N#Cc1cc([N-]C(=O)c2nnn(C3CC3)c2C(F)(F)F)c(F)cc1F ZINC000876345250 736080551 /nfs/dbraw/zinc/08/05/51/736080551.db2.gz CEAXLTZTWVGLCE-UHFFFAOYSA-N -1 3 357.242 3.034 20 30 FGEDHM CC(C)Oc1ccccc1C(F)(F)C(=O)[N-]Cc1nc(C#N)cs1 ZINC000887977527 739454148 /nfs/dbraw/zinc/45/41/48/739454148.db2.gz QMCOTMJAJCLLTQ-UHFFFAOYSA-N -1 3 351.378 3.210 20 30 FGEDHM C=CC1(CC(=O)N2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)CCCCC1 ZINC000936049600 762000179 /nfs/dbraw/zinc/00/01/79/762000179.db2.gz RYHDQWUGDLMMGD-AWEZNQCLSA-N -1 3 360.420 3.430 20 30 FGEDHM COc1cc(C=NNC(=S)N[C@H]2CCCC[C@H]2C)cc(Cl)c1[O-] ZINC000916276138 758060942 /nfs/dbraw/zinc/06/09/42/758060942.db2.gz MLAPGAGXBCFMJF-MFKMUULPSA-N -1 3 355.891 3.431 20 30 FGEDHM COc1cc(OC)cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000916908210 758152853 /nfs/dbraw/zinc/15/28/53/758152853.db2.gz ZTJJNVONRFJNRX-AWEZNQCLSA-N -1 3 358.781 3.318 20 30 FGEDHM CCCCCC[C@H](C)OC(=O)[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000920123894 758514986 /nfs/dbraw/zinc/51/49/86/758514986.db2.gz FNWIAHXUSQIINN-KBPBESRZSA-N -1 3 366.483 3.016 20 30 FGEDHM Cc1ncc(CO)c(/C=N\[C@H]2CCc3cc(Br)ccc32)c1[O-] ZINC000920174473 758520831 /nfs/dbraw/zinc/52/08/31/758520831.db2.gz NGMAMMBEQLUJRR-AAOXPJKVSA-N -1 3 361.239 3.457 20 30 FGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000920387500 758547688 /nfs/dbraw/zinc/54/76/88/758547688.db2.gz QDIDFMAIAAQWDU-UHFFFAOYSA-N -1 3 367.814 3.092 20 30 FGEDHM C[C@@H]1CCc2sc([N-]C(=O)c3cn([C@H]4CCOC4)nn3)c(C#N)c2[C@@H]1C ZINC000568046816 505603786 /nfs/dbraw/zinc/60/37/86/505603786.db2.gz NXNGPEYATZVPQS-UTUOFQBUSA-N -1 3 371.466 3.111 20 30 FGEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1c[n-]c2ccccc2c1=O ZINC000063340783 494047523 /nfs/dbraw/zinc/04/75/23/494047523.db2.gz HLOLNRWSCOVESK-UHFFFAOYSA-N -1 3 363.373 3.265 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000011448378 494178270 /nfs/dbraw/zinc/17/82/70/494178270.db2.gz JPDYTAGHRJQJEL-SNVBAGLBSA-N -1 3 370.478 3.016 20 30 FGEDHM COC(=O)c1cccc(CC(=O)Nc2n[n-]c(-c3ccccc3F)n2)c1 ZINC000089487043 494317985 /nfs/dbraw/zinc/31/79/85/494317985.db2.gz STWBEJUPWVMKBS-UHFFFAOYSA-N -1 3 354.341 3.228 20 30 FGEDHM CC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc(C)cc1 ZINC000017841670 494417264 /nfs/dbraw/zinc/41/72/64/494417264.db2.gz LINQCKITNCQUHC-LJQANCHMSA-N -1 3 351.450 3.372 20 30 FGEDHM CCC[C@@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccc1 ZINC000018135163 494425757 /nfs/dbraw/zinc/42/57/57/494425757.db2.gz OAJZCDCEEMHKDB-LJQANCHMSA-N -1 3 351.450 3.454 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C1CC1)C1CCC(C)CC1 ZINC000045415576 494427338 /nfs/dbraw/zinc/42/73/38/494427338.db2.gz SRJLUYSUWBHSBM-UHFFFAOYSA-N -1 3 355.482 3.366 20 30 FGEDHM CCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccc(C)cc1C ZINC000045510790 494434810 /nfs/dbraw/zinc/43/48/10/494434810.db2.gz HCFIPEJTSBGVGH-UHFFFAOYSA-N -1 3 351.450 3.466 20 30 FGEDHM CCc1nc2cc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)ccc2o1 ZINC000080378371 494690299 /nfs/dbraw/zinc/69/02/99/494690299.db2.gz UGJMELDFJGKCMJ-UHFFFAOYSA-N -1 3 364.405 3.138 20 30 FGEDHM CSc1ccc([C@@H](CNC(=O)c2ccc(C#N)c([O-])c2)N(C)C)cc1 ZINC000580370997 505742456 /nfs/dbraw/zinc/74/24/56/505742456.db2.gz DPOWANJUFGZUSR-QGZVFWFLSA-N -1 3 355.463 3.018 20 30 FGEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1cccnc1OCC(F)F ZINC000093242935 494850085 /nfs/dbraw/zinc/85/00/85/494850085.db2.gz ZVOGZDAIHWFDPE-LBPRGKRZSA-N -1 3 356.332 3.102 20 30 FGEDHM C=CCN(Cc1ccccc1F)C(=O)CCNC(=O)c1ccc(C)cc1[O-] ZINC000116774816 494851623 /nfs/dbraw/zinc/85/16/23/494851623.db2.gz FIIXWXHPNKDZAH-UHFFFAOYSA-N -1 3 370.424 3.174 20 30 FGEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3cccs3)no2)ccc1F ZINC000109459538 494878526 /nfs/dbraw/zinc/87/85/26/494878526.db2.gz RYTCZLZOOZWHOT-UHFFFAOYSA-N -1 3 365.411 3.069 20 30 FGEDHM Cc1ccc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)cc1F ZINC000109507001 494882618 /nfs/dbraw/zinc/88/26/18/494882618.db2.gz VBIVJIDULAOVIL-UHFFFAOYSA-N -1 3 352.369 3.146 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC=C(c2cccs2)CC1 ZINC000117720933 494949201 /nfs/dbraw/zinc/94/92/01/494949201.db2.gz OLHDRMGZPNPPAH-UHFFFAOYSA-N -1 3 367.474 3.173 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1c2ccccc2CC[C@H]1C ZINC000122533232 494990493 /nfs/dbraw/zinc/99/04/93/494990493.db2.gz FIONBLWKEPKIAV-ASSNKEHSSA-N -1 3 363.461 3.236 20 30 FGEDHM Cc1nc(C)c(C[N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)o1 ZINC000599317807 506410433 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C=CCn1c(=O)[n-]nc1S[C@@H](C)C(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000470823753 501819120 /nfs/dbraw/zinc/81/91/20/501819120.db2.gz YOTXAJWPKPURFJ-LBPRGKRZSA-N -1 3 374.466 3.128 20 30 FGEDHM CCN(c1ccc(C([O-])=C(C#N)c2nnc3n2CCCCC3)cn1)C(C)C ZINC000478096453 501880657 /nfs/dbraw/zinc/88/06/57/501880657.db2.gz NFHRVMFNJXFOSV-MRXNPFEDSA-N -1 3 366.469 3.124 20 30 FGEDHM COCc1nc(Sc2cc(C)c(C#N)c3nc4ccccc4n32)n[n-]1 ZINC000474779237 501949782 /nfs/dbraw/zinc/94/97/82/501949782.db2.gz FNWKKGCTAQEKJT-UHFFFAOYSA-N -1 3 350.407 3.083 20 30 FGEDHM CC(C)C[C@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000478781964 502084329 /nfs/dbraw/zinc/08/43/29/502084329.db2.gz LSWKPFILSOJCEC-LSDHHAIUSA-N -1 3 356.875 3.084 20 30 FGEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000465492598 502278600 /nfs/dbraw/zinc/27/86/00/502278600.db2.gz NFPJTUFENKFZCP-SSDOTTSWSA-N -1 3 358.179 3.321 20 30 FGEDHM CC[C@H](C#N)S(=O)(=O)[N-]c1ccc2nc(-c3ccc(F)cc3)[nH]c2c1 ZINC000462076118 502297769 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O=C(CNC(=O)c1cccc([O-])c1)Nc1cccc(C#Cc2ccccc2)c1 ZINC000494903116 503633189 /nfs/dbraw/zinc/63/31/89/503633189.db2.gz LPPWVDLLAQXQBT-UHFFFAOYSA-N -1 3 370.408 3.161 20 30 FGEDHM CO[C@H](c1ccc(Cl)cc1)[C@@H](C)[N-]S(=O)(=O)CC1(C#N)CCCC1 ZINC000546778910 503876671 /nfs/dbraw/zinc/87/66/71/503876671.db2.gz QFZVJLWMEXKZFD-CJNGLKHVSA-N -1 3 370.902 3.419 20 30 FGEDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1ccc(F)c2ccccc21 ZINC000518430887 503981462 /nfs/dbraw/zinc/98/14/62/503981462.db2.gz VEEPMKVEMRZGLC-GFCCVEGCSA-N -1 3 355.394 3.285 20 30 FGEDHM CSc1nc([O-])c(C(=O)Nc2cccc3ccc(O)cc32)cc1C#N ZINC000541157281 504025624 /nfs/dbraw/zinc/02/56/24/504025624.db2.gz CXUSGJOFKYRUKE-UHFFFAOYSA-N -1 3 351.387 3.492 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2SCCc3ccccc32)c(F)c1 ZINC000530677362 504050433 /nfs/dbraw/zinc/05/04/33/504050433.db2.gz VDWBNFXLMOXBSX-MRXNPFEDSA-N -1 3 362.451 3.006 20 30 FGEDHM C[C@@H]1CCN(c2cc(C([O-])=C(C#N)c3nc4ccccc4n3C)ccn2)C1 ZINC000547484450 504123220 /nfs/dbraw/zinc/12/32/20/504123220.db2.gz UTUASGXFKFIUGK-GDBMZVCRSA-N -1 3 359.433 3.305 20 30 FGEDHM C=CCOc1cccnc1C(=O)[N-]c1nnc(Cc2ccc(F)cc2)s1 ZINC000538194659 504157603 /nfs/dbraw/zinc/15/76/03/504157603.db2.gz LMSSZAHKQVVQDA-UHFFFAOYSA-N -1 3 370.409 3.480 20 30 FGEDHM C[C@H](C[N-]S(=O)(=O)CC1(C#N)CCCC1)Oc1ccc(Cl)cc1 ZINC000544720036 504233661 /nfs/dbraw/zinc/23/36/61/504233661.db2.gz HXMRWFXEDIBNPC-CYBMUJFWSA-N -1 3 356.875 3.111 20 30 FGEDHM Cc1cccc(C)c1[C@@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000544851801 504280404 /nfs/dbraw/zinc/28/04/04/504280404.db2.gz ZRLYKYYUPCKDNS-CYBMUJFWSA-N -1 3 359.407 3.123 20 30 FGEDHM C=CCN(C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)C1CC1 ZINC000539036070 504452627 /nfs/dbraw/zinc/45/26/27/504452627.db2.gz YLMWKEHDJDNJKV-UHFFFAOYSA-N -1 3 374.437 3.417 20 30 FGEDHM N#CC(=C([O-])c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1ccncn1 ZINC000546154252 504728618 /nfs/dbraw/zinc/72/86/18/504728618.db2.gz YGHBHRJGAHKYSX-CYBMUJFWSA-N -1 3 357.295 3.171 20 30 FGEDHM C=C[C@@H]1OCC[C@H]1NCc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000562707370 504916188 /nfs/dbraw/zinc/91/61/88/504916188.db2.gz MJRCOVIQIGBYAT-CABCVRRESA-N -1 3 353.447 3.497 20 30 FGEDHM Cc1cscc1C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000553528922 504941620 /nfs/dbraw/zinc/94/16/20/504941620.db2.gz GKTHBTLEHGJCDN-UHFFFAOYSA-N -1 3 371.281 3.169 20 30 FGEDHM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000560058583 504981001 /nfs/dbraw/zinc/98/10/01/504981001.db2.gz MVMCTDCBKSJUGG-UHFFFAOYSA-N -1 3 369.229 3.026 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CCC#N)c1ccc(F)cc1 ZINC000553818430 505018204 /nfs/dbraw/zinc/01/82/04/505018204.db2.gz PZFQRCPPHIEXQL-UHFFFAOYSA-N -1 3 366.396 3.294 20 30 FGEDHM Cc1ccccc1-c1cc(=NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[nH][n-]1 ZINC000556959600 505031257 /nfs/dbraw/zinc/03/12/57/505031257.db2.gz ACBXWNKLNKZTKY-UHFFFAOYSA-N -1 3 360.392 3.488 20 30 FGEDHM CO[C@H]1CCc2c(C#N)c([N-]C(=O)c3nc4c(s3)CCC4)sc2C1 ZINC000565939384 505032642 /nfs/dbraw/zinc/03/26/42/505032642.db2.gz RRYKUPHOUPPAAX-VIFPVBQESA-N -1 3 359.476 3.321 20 30 FGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(CN3CCSCC3)cc2)nc(C)n1 ZINC000553993680 505061809 /nfs/dbraw/zinc/06/18/09/505061809.db2.gz XEKRVNHUQZSDTJ-GOSISDBHSA-N -1 3 366.490 3.132 20 30 FGEDHM CC(C)CCO[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)CC1 ZINC000599431834 506453993 /nfs/dbraw/zinc/45/39/93/506453993.db2.gz QFLIBLYLXBCGKB-HDJSIYSDSA-N -1 3 356.513 3.272 20 30 FGEDHM N#Cc1cc([O-])cc(C(=O)N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c1 ZINC000589175026 506471697 /nfs/dbraw/zinc/47/16/97/506471697.db2.gz BDLULFKBCRSFTA-UHFFFAOYSA-N -1 3 373.416 3.069 20 30 FGEDHM N#Cc1cc([O-])cc(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)c1 ZINC000589175026 506471702 /nfs/dbraw/zinc/47/17/02/506471702.db2.gz BDLULFKBCRSFTA-UHFFFAOYSA-N -1 3 373.416 3.069 20 30 FGEDHM CC(C)(C#N)c1ccc(S(=O)(=O)[N-][C@](C)(C2CC2)C(F)(F)F)cc1 ZINC000593278534 506508614 /nfs/dbraw/zinc/50/86/14/506508614.db2.gz RINLHBZGOLRPQH-OAHLLOKOSA-N -1 3 360.401 3.497 20 30 FGEDHM CN(C)CCc1ccccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593278020 506508941 /nfs/dbraw/zinc/50/89/41/506508941.db2.gz CPXDBYHDITZWDP-UHFFFAOYSA-N -1 3 371.506 3.393 20 30 FGEDHM N#CC1(CC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)CCCCC1 ZINC000596685631 506535955 /nfs/dbraw/zinc/53/59/55/506535955.db2.gz BBRDIDBAZSTBQE-UHFFFAOYSA-N -1 3 369.465 3.433 20 30 FGEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CC3(C#N)CCOCC3)c2)n1 ZINC000596823019 506619447 /nfs/dbraw/zinc/61/94/47/506619447.db2.gz MXRHISUENSKXPM-UHFFFAOYSA-N -1 3 366.421 3.061 20 30 FGEDHM N#Cc1sccc1S(=O)(=O)[N-]CC1(Cc2ccc(F)cc2)CC1 ZINC000593573032 506690026 /nfs/dbraw/zinc/69/00/26/506690026.db2.gz UTFLFETZYPQKPR-UHFFFAOYSA-N -1 3 350.440 3.060 20 30 FGEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1CCCOc2cc(Cl)ccc21 ZINC000593574104 506690183 /nfs/dbraw/zinc/69/01/83/506690183.db2.gz ZFAWSVSVMPHMRO-LBPRGKRZSA-N -1 3 368.867 3.465 20 30 FGEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000593591088 506695771 /nfs/dbraw/zinc/69/57/71/506695771.db2.gz RTUKZILCZSKCKA-AULYBMBSSA-N -1 3 352.868 3.498 20 30 FGEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)Cc1cc(Cl)ccc1Br ZINC000583321759 506717287 /nfs/dbraw/zinc/71/72/87/506717287.db2.gz DEDRAKKGKVYQQF-NSHDSACASA-N -1 3 365.680 3.214 20 30 FGEDHM Cc1ccc(CN2CC[C@H](CN(C)C(=O)c3cc([O-])cc(C#N)c3)C2)s1 ZINC000593689183 506733192 /nfs/dbraw/zinc/73/31/92/506733192.db2.gz WNLZOZGYUPEEJQ-OAHLLOKOSA-N -1 3 369.490 3.228 20 30 FGEDHM N#CCc1cccc(C(=O)Nc2nnc(-c3ccc4ccccc4n3)[n-]2)c1 ZINC000609092023 506771916 /nfs/dbraw/zinc/77/19/16/506771916.db2.gz NZCDJACTRRGYIQ-UHFFFAOYSA-N -1 3 354.373 3.338 20 30 FGEDHM N#CCc1cccc(C(=O)Nc2nc(-c3ccc4ccccc4n3)n[n-]2)c1 ZINC000609092023 506771920 /nfs/dbraw/zinc/77/19/20/506771920.db2.gz NZCDJACTRRGYIQ-UHFFFAOYSA-N -1 3 354.373 3.338 20 30 FGEDHM N#CCc1cccc(C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)c1 ZINC000609092023 506771927 /nfs/dbraw/zinc/77/19/27/506771927.db2.gz NZCDJACTRRGYIQ-UHFFFAOYSA-N -1 3 354.373 3.338 20 30 FGEDHM CCc1ccc([O-])c(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC000593885607 506819602 /nfs/dbraw/zinc/81/96/02/506819602.db2.gz GSUXJPNEVXNJRI-UHFFFAOYSA-N -1 3 363.461 3.221 20 30 FGEDHM C=CC[C@H](C)NC(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000604880450 506973102 /nfs/dbraw/zinc/97/31/02/506973102.db2.gz PXRKDCUTFZRKTP-ZDUSSCGKSA-N -1 3 370.540 3.444 20 30 FGEDHM CCCc1nc(C(=O)[N-]c2ccncc2C#N)nn1-c1ccccc1Cl ZINC000609785659 507000413 /nfs/dbraw/zinc/00/04/13/507000413.db2.gz SEBHKFMCDXFGPL-UHFFFAOYSA-N -1 3 366.812 3.392 20 30 FGEDHM Cc1ccc(NC(=O)[C@@H](C)C#N)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000609840884 507020855 /nfs/dbraw/zinc/02/08/55/507020855.db2.gz UMWFWFCOYFUZLM-LBPRGKRZSA-N -1 3 361.398 3.033 20 30 FGEDHM CC(C)[C@@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1ccc(Cl)cc1F ZINC000584201397 507207909 /nfs/dbraw/zinc/20/79/09/507207909.db2.gz SDDMFRGYRFOJDV-MRXNPFEDSA-N -1 3 367.833 3.421 20 30 FGEDHM CO[C@@H](CS(=O)(=O)[N-]c1cccc(OCCCC#N)c1)C1CCCC1 ZINC000594694135 507241875 /nfs/dbraw/zinc/24/18/75/507241875.db2.gz GYDGBBIGGKISIT-SFHVURJKSA-N -1 3 366.483 3.316 20 30 FGEDHM N#C[C@@]1([N-]S(=O)(=O)CCc2ccccc2Cl)CCc2ccccc2C1 ZINC000594720102 507251862 /nfs/dbraw/zinc/25/18/62/507251862.db2.gz CMWWJHJQNWUGOX-LJQANCHMSA-N -1 3 374.893 3.253 20 30 FGEDHM Cc1noc(C)c1C[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594749839 507266881 /nfs/dbraw/zinc/26/68/81/507266881.db2.gz BBZOPMZWQRVEEV-UHFFFAOYSA-N -1 3 361.448 3.165 20 30 FGEDHM CO[C@H](C[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)C(C)C ZINC000594756819 507270636 /nfs/dbraw/zinc/27/06/36/507270636.db2.gz JWBKETOHRFSIJO-CQSZACIVSA-N -1 3 352.481 3.031 20 30 FGEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000591498783 507272247 /nfs/dbraw/zinc/27/22/47/507272247.db2.gz YMEGQXZKZDKAMT-SNVBAGLBSA-N -1 3 352.790 3.158 20 30 FGEDHM C[C@@]1(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1(F)F ZINC000594858689 507297813 /nfs/dbraw/zinc/29/78/13/507297813.db2.gz UZYWSDLJJQHCGW-GFCCVEGCSA-N -1 3 368.327 3.291 20 30 FGEDHM C[C@H]1C[C@H](N(C)C(=O)c2cc([O-])cc(C#N)c2)CCN1Cc1ccccc1 ZINC000614298821 507446853 /nfs/dbraw/zinc/44/68/53/507446853.db2.gz HMGMQGURSPKSGR-OXJNMPFZSA-N -1 3 363.461 3.389 20 30 FGEDHM CC(C)(C[N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@H]1CCCCO1 ZINC000611025956 507487071 /nfs/dbraw/zinc/48/70/71/507487071.db2.gz SFVLZKYPVCEZIW-OAHLLOKOSA-N -1 3 356.875 3.085 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]CC[C@H]1CC1(F)F ZINC000598624596 507521516 /nfs/dbraw/zinc/52/15/16/507521516.db2.gz KOMVOQHSEOMGFD-NSHDSACASA-N -1 3 356.419 3.405 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]CC[C@@H]1CC1(F)F ZINC000598624595 507521731 /nfs/dbraw/zinc/52/17/31/507521731.db2.gz KOMVOQHSEOMGFD-LLVKDONJSA-N -1 3 356.419 3.405 20 30 FGEDHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1CCCCO1 ZINC000611539790 507727818 /nfs/dbraw/zinc/72/78/18/507727818.db2.gz NWHBHZDDANYIEP-HNNXBMFYSA-N -1 3 356.875 3.085 20 30 FGEDHM N#Cc1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1-c1nnn[n-]1 ZINC000737717098 598916509 /nfs/dbraw/zinc/91/65/09/598916509.db2.gz YNLPLZXTPMSHKB-UHFFFAOYSA-N -1 3 373.203 3.226 20 30 FGEDHM N#Cc1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1-c1nn[n-]n1 ZINC000737717098 598916511 /nfs/dbraw/zinc/91/65/11/598916511.db2.gz YNLPLZXTPMSHKB-UHFFFAOYSA-N -1 3 373.203 3.226 20 30 FGEDHM N#Cc1ccc(NC(=O)Cc2cccc3ccccc32)cc1-c1nnn[n-]1 ZINC000737715532 598919111 /nfs/dbraw/zinc/91/91/11/598919111.db2.gz AFBDHRIUTBLGNA-UHFFFAOYSA-N -1 3 354.373 3.073 20 30 FGEDHM N#Cc1ccc(NC(=O)Cc2cccc3ccccc32)cc1-c1nn[n-]n1 ZINC000737715532 598919113 /nfs/dbraw/zinc/91/91/13/598919113.db2.gz AFBDHRIUTBLGNA-UHFFFAOYSA-N -1 3 354.373 3.073 20 30 FGEDHM N#Cc1cc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1-c1nnn[n-]1 ZINC000737706078 598922830 /nfs/dbraw/zinc/92/28/30/598922830.db2.gz VWRULFKANBUCMX-GXSJLCMTSA-N -1 3 364.331 3.046 20 30 FGEDHM N#Cc1cc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1-c1nn[n-]n1 ZINC000737706078 598922832 /nfs/dbraw/zinc/92/28/32/598922832.db2.gz VWRULFKANBUCMX-GXSJLCMTSA-N -1 3 364.331 3.046 20 30 FGEDHM CC(C)Sc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735921581 598927320 /nfs/dbraw/zinc/92/73/20/598927320.db2.gz VRQKBKIKGLOPJZ-UHFFFAOYSA-N -1 3 364.434 3.491 20 30 FGEDHM CC(C)Sc1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735921581 598927321 /nfs/dbraw/zinc/92/73/21/598927321.db2.gz VRQKBKIKGLOPJZ-UHFFFAOYSA-N -1 3 364.434 3.491 20 30 FGEDHM C[C@@H](C#N)Oc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000819856814 599112525 /nfs/dbraw/zinc/11/25/25/599112525.db2.gz MONVBZJGIWRGQG-RKPNYOAGSA-N -1 3 371.400 3.370 20 30 FGEDHM C[C@@H](C#N)Oc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000819856814 599112528 /nfs/dbraw/zinc/11/25/28/599112528.db2.gz MONVBZJGIWRGQG-RKPNYOAGSA-N -1 3 371.400 3.370 20 30 FGEDHM Cc1cccc2c1ncc(C#N)c2N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737410333 599122787 /nfs/dbraw/zinc/12/27/87/599122787.db2.gz RKONQVVGSRJVPB-ZDUSSCGKSA-N -1 3 355.405 3.190 20 30 FGEDHM Cc1cccc2c1ncc(C#N)c2N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737410333 599122788 /nfs/dbraw/zinc/12/27/88/599122788.db2.gz RKONQVVGSRJVPB-ZDUSSCGKSA-N -1 3 355.405 3.190 20 30 FGEDHM Fc1cccc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1-c1nnn[n-]1 ZINC000737659962 599234078 /nfs/dbraw/zinc/23/40/78/599234078.db2.gz GUSPOFNLSHYVKE-UHFFFAOYSA-N -1 3 369.244 3.327 20 30 FGEDHM Fc1cccc(N2CCC(C(F)(F)F)(C(F)(F)F)C2)c1-c1nn[n-]n1 ZINC000737659962 599234082 /nfs/dbraw/zinc/23/40/82/599234082.db2.gz GUSPOFNLSHYVKE-UHFFFAOYSA-N -1 3 369.244 3.327 20 30 FGEDHM N#C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cccc1Cl ZINC000737674313 598383596 /nfs/dbraw/zinc/38/35/96/598383596.db2.gz IXJAPVNPWBURPI-CYBMUJFWSA-N -1 3 373.203 3.168 20 30 FGEDHM N#C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1Cl ZINC000737674313 598383598 /nfs/dbraw/zinc/38/35/98/598383598.db2.gz IXJAPVNPWBURPI-CYBMUJFWSA-N -1 3 373.203 3.168 20 30 FGEDHM COc1cc2c(c(C=CC(=O)c3cccc(-c4nnn[n-]4)c3)c1)O[C@H](C)C2 ZINC000737041614 598502866 /nfs/dbraw/zinc/50/28/66/598502866.db2.gz LEFUEKUTXWBBQG-NNNHXZLVSA-N -1 3 362.389 3.095 20 30 FGEDHM COc1cc2c(c(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)c1)O[C@H](C)C2 ZINC000737041614 598502867 /nfs/dbraw/zinc/50/28/67/598502867.db2.gz LEFUEKUTXWBBQG-NNNHXZLVSA-N -1 3 362.389 3.095 20 30 FGEDHM C=C(C)CN(CC)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735398173 598610016 /nfs/dbraw/zinc/61/00/16/598610016.db2.gz FVKIHZURPTXCTA-UHFFFAOYSA-N -1 3 364.453 3.312 20 30 FGEDHM N#Cc1cccc(OCCSCc2ccc(F)cc2-c2nnn[n-]2)c1 ZINC000737730423 598697208 /nfs/dbraw/zinc/69/72/08/598697208.db2.gz KJXGHLCEGVCAQR-UHFFFAOYSA-N -1 3 355.398 3.190 20 30 FGEDHM N#Cc1cccc(OCCSCc2ccc(F)cc2-c2nn[n-]n2)c1 ZINC000737730423 598697210 /nfs/dbraw/zinc/69/72/10/598697210.db2.gz KJXGHLCEGVCAQR-UHFFFAOYSA-N -1 3 355.398 3.190 20 30 FGEDHM Cc1cccc(-c2n[nH]cc2C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737380017 598733861 /nfs/dbraw/zinc/73/38/61/598733861.db2.gz KDXBRCUQNCHYRI-CMDGGOBGSA-N -1 3 356.389 3.461 20 30 FGEDHM Cc1cccc(-c2n[nH]cc2C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737380017 598733862 /nfs/dbraw/zinc/73/38/62/598733862.db2.gz KDXBRCUQNCHYRI-CMDGGOBGSA-N -1 3 356.389 3.461 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ncc(CC)s1 ZINC000819745633 599296204 /nfs/dbraw/zinc/29/62/04/599296204.db2.gz NBGZVCRVXRGQPK-UHFFFAOYSA-N -1 3 369.454 3.106 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ncc(CC)s1 ZINC000819745633 599296206 /nfs/dbraw/zinc/29/62/06/599296206.db2.gz NBGZVCRVXRGQPK-UHFFFAOYSA-N -1 3 369.454 3.106 20 30 FGEDHM N#Cc1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)cc1C(F)(F)F ZINC000737718250 599334114 /nfs/dbraw/zinc/33/41/14/599334114.db2.gz GMWXYNZSUDBKAT-UHFFFAOYSA-N -1 3 374.326 3.248 20 30 FGEDHM C[C@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000736662875 600591940 /nfs/dbraw/zinc/59/19/40/600591940.db2.gz TZFCUPNQQISGQN-DJJJIMSYSA-N -1 3 363.417 3.383 20 30 FGEDHM COc1cc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)ccc1OC(C)C ZINC000832000095 601299556 /nfs/dbraw/zinc/29/95/56/601299556.db2.gz HVYQTOWGQFSZLX-IBGZPJMESA-N -1 3 354.406 3.270 20 30 FGEDHM CCc1oc(C(=O)[O-])cc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000830368971 601412282 /nfs/dbraw/zinc/41/22/82/601412282.db2.gz HABIZIASCVBAOW-UHFFFAOYSA-N -1 3 367.449 3.120 20 30 FGEDHM COc1ccc(CNc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)cc1C#N ZINC000826203904 607551655 /nfs/dbraw/zinc/55/16/55/607551655.db2.gz LMZRALDTRZQDAB-UHFFFAOYSA-N -1 3 364.409 3.146 20 30 FGEDHM COc1ccc(CNc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)cc1C#N ZINC000826203904 607551656 /nfs/dbraw/zinc/55/16/56/607551656.db2.gz LMZRALDTRZQDAB-UHFFFAOYSA-N -1 3 364.409 3.146 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000826244542 607675155 /nfs/dbraw/zinc/67/51/55/607675155.db2.gz WONSDGSXNGRNLA-UHFFFAOYSA-N -1 3 360.421 3.098 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000826244542 607675157 /nfs/dbraw/zinc/67/51/57/607675157.db2.gz WONSDGSXNGRNLA-UHFFFAOYSA-N -1 3 360.421 3.098 20 30 FGEDHM N#CC(C(=O)C[C@H](Cc1ccccc1)NC(=O)[O-])c1nc2ccccc2[nH]1 ZINC000831064003 604213238 /nfs/dbraw/zinc/21/32/38/604213238.db2.gz AUUBHQLASSHEET-LSDHHAIUSA-N -1 3 362.389 3.008 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000826245319 607698420 /nfs/dbraw/zinc/69/84/20/607698420.db2.gz UNXVTHHKCQILKJ-RTBURBONSA-N -1 3 372.432 3.087 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000826245319 607698421 /nfs/dbraw/zinc/69/84/21/607698421.db2.gz UNXVTHHKCQILKJ-RTBURBONSA-N -1 3 372.432 3.087 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cnn1-c1ccccc1 ZINC000822015538 606389343 /nfs/dbraw/zinc/38/93/43/606389343.db2.gz MGDADUZKUPFRMT-VQHVLOKHSA-N -1 3 362.418 3.318 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCOc1ccccc1-c1nnn[n-]1 ZINC000822801899 606452426 /nfs/dbraw/zinc/45/24/26/606452426.db2.gz QODZKHUVYROBQD-MOPGFXCFSA-N -1 3 374.448 3.017 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCOc1ccccc1-c1nn[n-]n1 ZINC000822801899 606452427 /nfs/dbraw/zinc/45/24/27/606452427.db2.gz QODZKHUVYROBQD-MOPGFXCFSA-N -1 3 374.448 3.017 20 30 FGEDHM CC(C)(C)CN(CCC#N)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819914287 606490100 /nfs/dbraw/zinc/49/01/00/606490100.db2.gz PTGUSUNNYUWGPJ-UHFFFAOYSA-N -1 3 364.400 3.230 20 30 FGEDHM CC(C)(C)CN(CCC#N)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000819914287 606490101 /nfs/dbraw/zinc/49/01/01/606490101.db2.gz PTGUSUNNYUWGPJ-UHFFFAOYSA-N -1 3 364.400 3.230 20 30 FGEDHM Cc1ccc(C#N)cc1NCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822224964 606597213 /nfs/dbraw/zinc/59/72/13/606597213.db2.gz HUXGDCNHPZTJRX-UHFFFAOYSA-N -1 3 356.336 3.260 20 30 FGEDHM Cc1ccc(C#N)cc1NCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822224964 606597214 /nfs/dbraw/zinc/59/72/14/606597214.db2.gz HUXGDCNHPZTJRX-UHFFFAOYSA-N -1 3 356.336 3.260 20 30 FGEDHM O=C(C=Cc1cnc(-c2ccccn2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000822934723 606600246 /nfs/dbraw/zinc/60/02/46/606600246.db2.gz CZYBJOKLFOEIFZ-BQYQJAHWSA-N -1 3 360.402 3.281 20 30 FGEDHM O=C(C=Cc1cnc(-c2ccccn2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000822934723 606600249 /nfs/dbraw/zinc/60/02/49/606600249.db2.gz CZYBJOKLFOEIFZ-BQYQJAHWSA-N -1 3 360.402 3.281 20 30 FGEDHM N#Cc1cc(NC(=O)C2(Cc3ccccc3)CCC2)ccc1-c1nnn[n-]1 ZINC000822823088 606868416 /nfs/dbraw/zinc/86/84/16/606868416.db2.gz KRAASLSZIQCEJS-UHFFFAOYSA-N -1 3 358.405 3.090 20 30 FGEDHM N#Cc1cc(NC(=O)C2(Cc3ccccc3)CCC2)ccc1-c1nn[n-]n1 ZINC000822823088 606868418 /nfs/dbraw/zinc/86/84/18/606868418.db2.gz KRAASLSZIQCEJS-UHFFFAOYSA-N -1 3 358.405 3.090 20 30 FGEDHM N#Cc1c(F)cccc1Oc1ccc(Br)cc1-c1nnn[n-]1 ZINC000822818944 607046489 /nfs/dbraw/zinc/04/64/89/607046489.db2.gz JFDDBAVMRDSKAI-UHFFFAOYSA-N -1 3 360.146 3.432 20 30 FGEDHM N#Cc1c(F)cccc1Oc1ccc(Br)cc1-c1nn[n-]n1 ZINC000822818944 607046491 /nfs/dbraw/zinc/04/64/91/607046491.db2.gz JFDDBAVMRDSKAI-UHFFFAOYSA-N -1 3 360.146 3.432 20 30 FGEDHM O=C1c2cc3c(cc2OCCC1=Cc1cc(-c2nnn[n-]2)cs1)CCC3 ZINC000823498401 607172570 /nfs/dbraw/zinc/17/25/70/607172570.db2.gz NUQSEBDQRJCXFG-MLPAPPSSSA-N -1 3 364.430 3.466 20 30 FGEDHM O=C1c2cc3c(cc2OCCC1=Cc1cc(-c2nn[n-]n2)cs1)CCC3 ZINC000823498401 607172571 /nfs/dbraw/zinc/17/25/71/607172571.db2.gz NUQSEBDQRJCXFG-MLPAPPSSSA-N -1 3 364.430 3.466 20 30 FGEDHM C[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820379553 607197030 /nfs/dbraw/zinc/19/70/30/607197030.db2.gz CYNRFPXVVIARFX-JTQLQIEISA-N -1 3 367.800 3.274 20 30 FGEDHM C[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820379553 607197031 /nfs/dbraw/zinc/19/70/31/607197031.db2.gz CYNRFPXVVIARFX-JTQLQIEISA-N -1 3 367.800 3.274 20 30 FGEDHM N#CCCN(Cc1ccco1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822810983 607203799 /nfs/dbraw/zinc/20/37/99/607203799.db2.gz QDAQHYUKRMCITG-UHFFFAOYSA-N -1 3 371.788 3.061 20 30 FGEDHM N#CCCN(Cc1ccco1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822810983 607203800 /nfs/dbraw/zinc/20/38/00/607203800.db2.gz QDAQHYUKRMCITG-UHFFFAOYSA-N -1 3 371.788 3.061 20 30 FGEDHM O=C(C=Cc1cc(O)ccc1Br)c1ccc(-c2nnn[n-]2)cc1 ZINC000822922909 607251498 /nfs/dbraw/zinc/25/14/98/607251498.db2.gz KVMWBZNEEKWNRM-YVMONPNESA-N -1 3 371.194 3.231 20 30 FGEDHM O=C(C=Cc1cc(O)ccc1Br)c1ccc(-c2nn[n-]n2)cc1 ZINC000822922909 607251499 /nfs/dbraw/zinc/25/14/99/607251499.db2.gz KVMWBZNEEKWNRM-YVMONPNESA-N -1 3 371.194 3.231 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000826233996 607884336 /nfs/dbraw/zinc/88/43/36/607884336.db2.gz CSOJMZFWIVWNCD-VAWYXSNFSA-N -1 3 356.389 3.257 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826233996 607884337 /nfs/dbraw/zinc/88/43/37/607884337.db2.gz CSOJMZFWIVWNCD-VAWYXSNFSA-N -1 3 356.389 3.257 20 30 FGEDHM C#C[C@@H](OC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000823839115 608454525 /nfs/dbraw/zinc/45/45/25/608454525.db2.gz ZQNJFQVDQVFSLF-LJQANCHMSA-N -1 3 374.400 3.014 20 30 FGEDHM C#C[C@@H](OC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000823839115 608454526 /nfs/dbraw/zinc/45/45/26/608454526.db2.gz ZQNJFQVDQVFSLF-LJQANCHMSA-N -1 3 374.400 3.014 20 30 FGEDHM C#Cc1cccc(NC(=O)N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1 ZINC000823862175 608469856 /nfs/dbraw/zinc/46/98/56/608469856.db2.gz ZODABDQBZPNETI-UHFFFAOYSA-N -1 3 370.416 3.169 20 30 FGEDHM C#Cc1cccc(NC(=O)N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000823862175 608469857 /nfs/dbraw/zinc/46/98/57/608469857.db2.gz ZODABDQBZPNETI-UHFFFAOYSA-N -1 3 370.416 3.169 20 30 FGEDHM CCn1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c2ccccc21 ZINC000825799451 608536044 /nfs/dbraw/zinc/53/60/44/608536044.db2.gz KWEHLBKBKBQAIF-UHFFFAOYSA-N -1 3 366.816 3.336 20 30 FGEDHM CCn1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c2ccccc21 ZINC000825799451 608536045 /nfs/dbraw/zinc/53/60/45/608536045.db2.gz KWEHLBKBKBQAIF-UHFFFAOYSA-N -1 3 366.816 3.336 20 30 FGEDHM CCO[C@@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1(CC)CC ZINC000825576668 608540229 /nfs/dbraw/zinc/54/02/29/608540229.db2.gz NEOSFHFRXHDOCJ-GFCCVEGCSA-N -1 3 363.853 3.298 20 30 FGEDHM CCO[C@@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1(CC)CC ZINC000825576668 608540231 /nfs/dbraw/zinc/54/02/31/608540231.db2.gz NEOSFHFRXHDOCJ-GFCCVEGCSA-N -1 3 363.853 3.298 20 30 FGEDHM COc1ccc([C@@H](C)CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000826188329 608540417 /nfs/dbraw/zinc/54/04/17/608540417.db2.gz UGQOKAKSXOGOAO-JTQLQIEISA-N -1 3 357.805 3.125 20 30 FGEDHM COc1ccc([C@@H](C)CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000826188329 608540419 /nfs/dbraw/zinc/54/04/19/608540419.db2.gz UGQOKAKSXOGOAO-JTQLQIEISA-N -1 3 357.805 3.125 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cc(-c2nnn[n-]2)cs1 ZINC000826379745 608749608 /nfs/dbraw/zinc/74/96/08/608749608.db2.gz ADSNZOLPSWQCKZ-DLBZAZTESA-N -1 3 350.451 3.200 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cc(-c2nn[n-]n2)cs1 ZINC000826379745 608749609 /nfs/dbraw/zinc/74/96/09/608749609.db2.gz ADSNZOLPSWQCKZ-DLBZAZTESA-N -1 3 350.451 3.200 20 30 FGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cnn(-c2ccccc2)c1 ZINC000826401142 608881449 /nfs/dbraw/zinc/88/14/49/608881449.db2.gz QOAFOTINGYRPKF-CLFYSBASSA-N -1 3 360.352 3.088 20 30 FGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cnn(-c2ccccc2)c1 ZINC000826401142 608881452 /nfs/dbraw/zinc/88/14/52/608881452.db2.gz QOAFOTINGYRPKF-CLFYSBASSA-N -1 3 360.352 3.088 20 30 FGEDHM Cc1cn2c(/C=C\C(=O)c3ccc(-c4nn[n-]n4)c(F)c3)c(C)nc2s1 ZINC000826317074 609134045 /nfs/dbraw/zinc/13/40/45/609134045.db2.gz LSYUKKOLKUWWGF-WAYWQWQTSA-N -1 3 368.397 3.228 20 30 FGEDHM CCNc1ccc(-c2nn[n-]n2)cc1NCC#Cc1ccc(Cl)cc1 ZINC000825476651 609178574 /nfs/dbraw/zinc/17/85/74/609178574.db2.gz QUWQEMPAGCCGNO-UHFFFAOYSA-N -1 3 352.829 3.416 20 30 FGEDHM C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824034991 609263153 /nfs/dbraw/zinc/26/31/53/609263153.db2.gz RGLITKJFUUNWFQ-SNVBAGLBSA-N -1 3 368.784 3.063 20 30 FGEDHM C[C@H](C#N)Oc1ccccc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824034991 609263154 /nfs/dbraw/zinc/26/31/54/609263154.db2.gz RGLITKJFUUNWFQ-SNVBAGLBSA-N -1 3 368.784 3.063 20 30 FGEDHM CC(=NNc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958864 609276997 /nfs/dbraw/zinc/27/69/97/609276997.db2.gz ZQSWJFCBCKFHDP-UHFFFAOYSA-N -1 3 362.315 3.443 20 30 FGEDHM CC(=NNc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958864 609276999 /nfs/dbraw/zinc/27/69/99/609276999.db2.gz ZQSWJFCBCKFHDP-UHFFFAOYSA-N -1 3 362.315 3.443 20 30 FGEDHM Cc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826281122 609308143 /nfs/dbraw/zinc/30/81/43/609308143.db2.gz FXSOVNRBCYVZOR-VAWYXSNFSA-N -1 3 370.416 3.472 20 30 FGEDHM Cc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826281122 609308145 /nfs/dbraw/zinc/30/81/45/609308145.db2.gz FXSOVNRBCYVZOR-VAWYXSNFSA-N -1 3 370.416 3.472 20 30 FGEDHM COc1cc(Br)ccc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826177228 609373943 /nfs/dbraw/zinc/37/39/43/609373943.db2.gz YGBSGJZBXXKBIK-UHFFFAOYSA-N -1 3 373.214 3.084 20 30 FGEDHM C#C[C@@H](OC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000823838790 609387009 /nfs/dbraw/zinc/38/70/09/609387009.db2.gz UQURAEHMXPEBKC-MRXNPFEDSA-N -1 3 360.373 3.228 20 30 FGEDHM C#C[C@@H](OC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000823838790 609387011 /nfs/dbraw/zinc/38/70/11/609387011.db2.gz UQURAEHMXPEBKC-MRXNPFEDSA-N -1 3 360.373 3.228 20 30 FGEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc(C#N)cc1F ZINC000823958310 609470349 /nfs/dbraw/zinc/47/03/49/609470349.db2.gz IOABUMOURHBJJW-UHFFFAOYSA-N -1 3 355.764 3.367 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(C#N)cc1F ZINC000823958310 609470350 /nfs/dbraw/zinc/47/03/50/609470350.db2.gz IOABUMOURHBJJW-UHFFFAOYSA-N -1 3 355.764 3.367 20 30 FGEDHM Clc1cc(N=NC[C@@H]2CCOc3ccccc32)ccc1-c1nnn[n-]1 ZINC000826351599 609471610 /nfs/dbraw/zinc/47/16/10/609471610.db2.gz SEYXYTOWEVLBIJ-NSHDSACASA-N -1 3 354.801 3.484 20 30 FGEDHM Clc1cc(N=NC[C@@H]2CCOc3ccccc32)ccc1-c1nn[n-]n1 ZINC000826351599 609471612 /nfs/dbraw/zinc/47/16/12/609471612.db2.gz SEYXYTOWEVLBIJ-NSHDSACASA-N -1 3 354.801 3.484 20 30 FGEDHM CC1(C#N)CCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)CC1 ZINC000824779855 609559438 /nfs/dbraw/zinc/55/94/38/609559438.db2.gz XMGVZSZVVLADRY-UHFFFAOYSA-N -1 3 353.817 3.198 20 30 FGEDHM CC1(C#N)CCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)CC1 ZINC000824779855 609559439 /nfs/dbraw/zinc/55/94/39/609559439.db2.gz XMGVZSZVVLADRY-UHFFFAOYSA-N -1 3 353.817 3.198 20 30 FGEDHM CCn1cc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 ZINC000114618203 700580754 /nfs/dbraw/zinc/58/07/54/700580754.db2.gz XCOLDKUXJQMNCF-CYBMUJFWSA-N -1 3 351.193 3.171 20 30 FGEDHM CNC(=O)c1ccc(OC)c(N=Cc2cc(Br)ccc2[O-])c1 ZINC000255423494 713695690 /nfs/dbraw/zinc/69/56/90/713695690.db2.gz FJJCSJIDGINOKL-UHFFFAOYSA-N -1 3 363.211 3.274 20 30 FGEDHM C#Cc1cccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)c1 ZINC000783812648 724793035 /nfs/dbraw/zinc/79/30/35/724793035.db2.gz UJINHBAYEAJJIY-UHFFFAOYSA-N -1 3 356.378 3.404 20 30 FGEDHM C=C(C)[C@H](CO)Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000681647577 722215283 /nfs/dbraw/zinc/21/52/83/722215283.db2.gz SJRYYFINHDKRHF-ZDUSSCGKSA-N -1 3 362.842 3.204 20 30 FGEDHM O=S(=O)(c1ccc(NN=Cc2cc(Cl)ccc2[O-])cc1)C(F)F 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FGEDHM C#CCN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CCCC1 ZINC000757171713 722975362 /nfs/dbraw/zinc/97/53/62/722975362.db2.gz MKTNLHXRPZQRJF-UHFFFAOYSA-N -1 3 373.250 3.309 20 30 FGEDHM COc1ccc(CN=Nc2cncc(Cl)n2)c(Br)c1[O-] ZINC000761010746 723112626 /nfs/dbraw/zinc/11/26/26/723112626.db2.gz CPTPRFNFSJMDHU-UHFFFAOYSA-N -1 3 357.595 3.053 20 30 FGEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000790327466 723127131 /nfs/dbraw/zinc/12/71/31/723127131.db2.gz IWSQMSFCVYTSKR-VIFPVBQESA-N -1 3 350.665 3.183 20 30 FGEDHM COc1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cc1Cl ZINC000793125367 723402408 /nfs/dbraw/zinc/40/24/08/723402408.db2.gz OZRHOCXPTNUSRW-SNVBAGLBSA-N -1 3 364.188 3.358 20 30 FGEDHM C=CCOCCOC(=O)c1n[n-]c(-c2ccccc2)c1Br ZINC000797324941 723805924 /nfs/dbraw/zinc/80/59/24/723805924.db2.gz OWEQBAKNARIVSW-UHFFFAOYSA-N -1 3 351.200 3.199 20 30 FGEDHM N#CC1(CCCOC(=O)c2cccc(Br)c2[O-])CCOCC1 ZINC000800163216 724158473 /nfs/dbraw/zinc/15/84/73/724158473.db2.gz CORLKVNNPDGEAY-UHFFFAOYSA-N -1 3 368.227 3.412 20 30 FGEDHM CC(N=Nc1cc(Cl)nc(N)n1)c1ccc(Br)cc1[O-] ZINC000778546393 724343172 /nfs/dbraw/zinc/34/31/72/724343172.db2.gz FWKGICBEKPRPTC-UHFFFAOYSA-N -1 3 356.611 3.016 20 30 FGEDHM CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811395221 725361684 /nfs/dbraw/zinc/36/16/84/725361684.db2.gz ZTBFAUQHNJAOBK-OAHLLOKOSA-N -1 3 353.831 3.094 20 30 FGEDHM CCOc1cc(C=NNC[C@@H]2CCSC2)cc(Br)c1[O-] ZINC000811660076 725375946 /nfs/dbraw/zinc/37/59/46/725375946.db2.gz GDLYQHXWKSAGHE-JTQLQIEISA-N -1 3 359.289 3.230 20 30 FGEDHM CCC(CC)(C/N=C/c1c([O-])c(C)ncc1CO)C(=O)OC(C)(C)C ZINC000818991851 727335504 /nfs/dbraw/zinc/33/55/04/727335504.db2.gz KLHYBAXIVDJABU-KEBDBYFISA-N -1 3 350.459 3.155 20 30 FGEDHM C[C@@]1(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CC1(Cl)Cl ZINC000832364604 729708156 /nfs/dbraw/zinc/70/81/56/729708156.db2.gz KMLSELDSIMHBBJ-GFCCVEGCSA-N -1 3 367.685 3.464 20 30 FGEDHM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000846552194 730962689 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FGEDHM C=C(Cl)C[C@H](NC(=O)NC[C@@H](c1ccsc1)N(CC)CC)C(=O)[O-] ZINC000908802245 744319107 /nfs/dbraw/zinc/31/91/07/744319107.db2.gz MLOVKUCLEOQGSS-KBPBESRZSA-N -1 3 373.906 3.026 20 30 FGEDHM CC(C)c1ccc(NC(=S)NN=C2C(=O)Nc3cc([O-])ccc32)cc1 ZINC000915942583 758007711 /nfs/dbraw/zinc/00/77/11/758007711.db2.gz WAPVVCUNNCVWCI-UHFFFAOYSA-N -1 3 354.435 3.158 20 30 FGEDHM Cc1cccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)c1 ZINC000916321445 758070982 /nfs/dbraw/zinc/07/09/82/758070982.db2.gz ZOLQLEYBWHVWRL-INIZCTEOSA-N -1 3 352.419 3.270 20 30 FGEDHM Cc1ncc(CO)c(/C=N/[C@H](C)Cc2cccc(Br)c2)c1[O-] ZINC000920479733 758559487 /nfs/dbraw/zinc/55/94/87/758559487.db2.gz RDMPJPFLQSJQJF-YXZFXQPTSA-N -1 3 363.255 3.401 20 30 FGEDHM Cc1cc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)c(C)n1-c1nccs1 ZINC000097493873 222185083 /nfs/dbraw/zinc/18/50/83/222185083.db2.gz JCFLLBKLDVRJQN-UHFFFAOYSA-N -1 3 365.422 3.367 20 30 FGEDHM Cc1cc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)c(C)n1-c1nccs1 ZINC000097493873 222185087 /nfs/dbraw/zinc/18/50/87/222185087.db2.gz JCFLLBKLDVRJQN-UHFFFAOYSA-N -1 3 365.422 3.367 20 30 FGEDHM Cc1cc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)c(C)n1-c1nccs1 ZINC000097493873 222185089 /nfs/dbraw/zinc/18/50/89/222185089.db2.gz JCFLLBKLDVRJQN-UHFFFAOYSA-N -1 3 365.422 3.367 20 30 FGEDHM CCCOc1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000048195856 493800113 /nfs/dbraw/zinc/80/01/13/493800113.db2.gz RRSCBGCYLUJYLN-UHFFFAOYSA-N -1 3 353.422 3.224 20 30 FGEDHM CCc1c(C)sc([N-]C(=O)c2cn(Cc3ccccc3)nn2)c1C#N ZINC000068677632 493856019 /nfs/dbraw/zinc/85/60/19/493856019.db2.gz XNJQFVQYGMLSSM-UHFFFAOYSA-N -1 3 351.435 3.383 20 30 FGEDHM CCC[C@H](Cc1ccccc1)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000068707601 493861281 /nfs/dbraw/zinc/86/12/81/493861281.db2.gz IGKFRBLAQDCYKM-GOSISDBHSA-N -1 3 365.477 3.324 20 30 FGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C#N)cc1 ZINC000030360109 493887903 /nfs/dbraw/zinc/88/79/03/493887903.db2.gz XBUSAULZHFOBPS-SNVBAGLBSA-N -1 3 365.798 3.159 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000005165150 493916530 /nfs/dbraw/zinc/91/65/30/493916530.db2.gz WSITVLLFKHFGPR-UHFFFAOYSA-N -1 3 361.348 3.036 20 30 FGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(C(=O)NCC(C)(C)C)cc2)nc(C)n1 ZINC000076822391 493975045 /nfs/dbraw/zinc/97/50/45/493975045.db2.gz UATUJEKFMFAVKM-KRWDZBQOSA-N -1 3 364.449 3.359 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(OC(C)C)cc1F ZINC000052021228 493999654 /nfs/dbraw/zinc/99/96/54/493999654.db2.gz IEWCHQRDSHYGNP-UHFFFAOYSA-N -1 3 371.412 3.361 20 30 FGEDHM COc1ccccc1OCC(=O)Nc1n[n-]c(-c2ccccc2OC)n1 ZINC000052778706 494061470 /nfs/dbraw/zinc/06/14/70/494061470.db2.gz AMLCLZLPXQLRMP-UHFFFAOYSA-N -1 3 354.366 3.156 20 30 FGEDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)[C@H](C)Oc3ccccc3C#N)cc2)n1 ZINC000064342110 494115217 /nfs/dbraw/zinc/11/52/17/494115217.db2.gz JGXGUKSRINIRHL-AWEZNQCLSA-N -1 3 374.400 3.023 20 30 FGEDHM Cc1cc([C@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(C)s1 ZINC000046240540 494507294 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N#C[C@@]1(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CCSC1 ZINC000101642094 495088964 /nfs/dbraw/zinc/08/89/64/495088964.db2.gz YVKVXCVRIHDYHA-FQEVSTJZSA-N -1 3 352.459 3.306 20 30 FGEDHM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1OC ZINC000123727652 495177068 /nfs/dbraw/zinc/17/70/68/495177068.db2.gz JZXVQWDSCDIWQM-UHFFFAOYSA-N -1 3 366.826 3.338 20 30 FGEDHM CC(C)Cn1ncc2cc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cnc21 ZINC000119754735 495234065 /nfs/dbraw/zinc/23/40/65/495234065.db2.gz HDKYGQFKPYRGCL-OAHLLOKOSA-N -1 3 358.405 3.454 20 30 FGEDHM CC(C)(C)c1csc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000104756147 495303736 /nfs/dbraw/zinc/30/37/36/495303736.db2.gz DQYUWJGCYLBLEK-UHFFFAOYSA-N -1 3 369.899 3.444 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)cn1 ZINC000135598557 495316069 /nfs/dbraw/zinc/31/60/69/495316069.db2.gz KWSYENZVNUXSQB-UHFFFAOYSA-N -1 3 361.732 3.426 20 30 FGEDHM N#Cc1cccc(OCc2cccc(C(=O)N=c3cc4ccccn4[n-]3)c2)c1 ZINC000568780255 505775909 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C=CCCN(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000436837646 501218951 /nfs/dbraw/zinc/21/89/51/501218951.db2.gz HYKZNHYMEZYEQC-IBGZPJMESA-N -1 3 352.434 3.288 20 30 FGEDHM CCc1ccc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c([O-])c1 ZINC000436844696 501220074 /nfs/dbraw/zinc/22/00/74/501220074.db2.gz PGSOFXOIBYORQF-UHFFFAOYSA-N -1 3 365.433 3.341 20 30 FGEDHM CC[C@H](CNc1ccccc1)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000452467413 501506192 /nfs/dbraw/zinc/50/61/92/501506192.db2.gz HNZZWBRFXKBZNV-MRXNPFEDSA-N -1 3 366.465 3.215 20 30 FGEDHM Cc1ccc(CN(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1C ZINC000456944272 501623866 /nfs/dbraw/zinc/62/38/66/501623866.db2.gz HQGGAUXJYNKLQA-UHFFFAOYSA-N -1 3 351.450 3.484 20 30 FGEDHM N#C[C@H]1N(Cc2cc(=O)[n-]c(-c3ccccc3)n2)CCC[C@@]12CCCCO2 ZINC000459436768 501653962 /nfs/dbraw/zinc/65/39/62/501653962.db2.gz KDNFBDYSHLTDST-NQIIRXRSSA-N -1 3 364.449 3.276 20 30 FGEDHM C=CCn1c(S[C@H](C)C(=O)c2ccc(Br)cc2)n[n-]c1=O ZINC000470824098 501819208 /nfs/dbraw/zinc/81/92/08/501819208.db2.gz WXKQFZBPKGHARG-SECBINFHSA-N -1 3 368.256 3.296 20 30 FGEDHM Cc1oc2ccccc2c1CC[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000464368031 501968699 /nfs/dbraw/zinc/96/86/99/501968699.db2.gz SOCPDCYPEHXBTP-UHFFFAOYSA-N -1 3 358.394 3.273 20 30 FGEDHM N#CC(=C([O-])c1cccc(-c2nc[nH]n2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464473693 501999157 /nfs/dbraw/zinc/99/91/57/501999157.db2.gz HKLAMVYKVYBJEG-CYBMUJFWSA-N -1 3 357.295 3.376 20 30 FGEDHM C=CCN1C(=O)N(Cc2ccc([O-])c(F)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000479023164 502140974 /nfs/dbraw/zinc/14/09/74/502140974.db2.gz NDKISWOXGUDZII-QGZVFWFLSA-N -1 3 354.381 3.093 20 30 FGEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000462076033 502297929 /nfs/dbraw/zinc/29/79/29/502297929.db2.gz PWOQLOJOXMBOQM-JOYOIKCWSA-N -1 3 355.403 3.026 20 30 FGEDHM N#CC(=C([O-])c1ccnc(O[C@H]2CCOC2)c1)c1nccc2ccccc21 ZINC000483219648 502318025 /nfs/dbraw/zinc/31/80/25/502318025.db2.gz MAHKWEUFFIVGEV-FUHWJXTLSA-N -1 3 359.385 3.288 20 30 FGEDHM N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000473577387 502643281 /nfs/dbraw/zinc/64/32/81/502643281.db2.gz ZOIUNEMUFVDSKA-GOSISDBHSA-N -1 3 355.825 3.068 20 30 FGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCc2ccccc2F)c1 ZINC000481257457 502798466 /nfs/dbraw/zinc/79/84/66/502798466.db2.gz MDPPORDPEAYVDI-UHFFFAOYSA-N -1 3 352.818 3.262 20 30 FGEDHM C=CCCc1ccccc1NC(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000505037720 502843253 /nfs/dbraw/zinc/84/32/53/502843253.db2.gz DWAIBJINOJPRQY-UHFFFAOYSA-N -1 3 367.449 3.452 20 30 FGEDHM Cc1sc(C[N-]S(=O)(=O)Cc2cc(C#N)ccc2F)nc1C(C)C ZINC000500913342 502891088 /nfs/dbraw/zinc/89/10/88/502891088.db2.gz IRQQNNVWERFMSX-UHFFFAOYSA-N -1 3 367.471 3.205 20 30 FGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(Cl)cn1 ZINC000509708658 502972447 /nfs/dbraw/zinc/97/24/47/502972447.db2.gz AGGNLZBSLRZHEJ-SECBINFHSA-N -1 3 356.234 3.300 20 30 FGEDHM COc1nc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)n[n-]1 ZINC000490636543 503207810 /nfs/dbraw/zinc/20/78/10/503207810.db2.gz JPHPKQQHJGYCLQ-UHFFFAOYSA-N -1 3 369.768 3.383 20 30 FGEDHM COc1nnc(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)[n-]1 ZINC000490636543 503207813 /nfs/dbraw/zinc/20/78/13/503207813.db2.gz JPHPKQQHJGYCLQ-UHFFFAOYSA-N -1 3 369.768 3.383 20 30 FGEDHM COc1n[n-]c(NC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)n1 ZINC000490636543 503207818 /nfs/dbraw/zinc/20/78/18/503207818.db2.gz JPHPKQQHJGYCLQ-UHFFFAOYSA-N -1 3 369.768 3.383 20 30 FGEDHM C=C(C)C[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000492177526 503355023 /nfs/dbraw/zinc/35/50/23/503355023.db2.gz ZAVYAGADZGRDMI-AWEZNQCLSA-N -1 3 359.875 3.142 20 30 FGEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)Cc1cccs1 ZINC000503431980 503408199 /nfs/dbraw/zinc/40/81/99/503408199.db2.gz VLIATEVVXPSCDH-NSHDSACASA-N -1 3 354.884 3.430 20 30 FGEDHM C[C@@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503437258 503408960 /nfs/dbraw/zinc/40/89/60/503408960.db2.gz RAHSKNSNOHZIED-NSHDSACASA-N -1 3 368.817 3.097 20 30 FGEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)Cc1cccc(C(F)(F)F)c1 ZINC000508070683 503423816 /nfs/dbraw/zinc/42/38/16/503423816.db2.gz XKTSZOVCHXZHQY-CYBMUJFWSA-N -1 3 366.430 3.160 20 30 FGEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1cc(C)c(F)cc1Cl ZINC000508086789 503427589 /nfs/dbraw/zinc/42/75/89/503427589.db2.gz DNHBWXMPLZXXNO-CYBMUJFWSA-N -1 3 350.868 3.101 20 30 FGEDHM CCOc1cccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c1 ZINC000503721311 503464809 /nfs/dbraw/zinc/46/48/09/503464809.db2.gz AWQASRGFBIWIRY-UHFFFAOYSA-N -1 3 364.854 3.131 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2c(F)cccc21 ZINC000516698044 503572232 /nfs/dbraw/zinc/57/22/32/503572232.db2.gz FLDFJOHSHXFOLJ-UHFFFAOYSA-N -1 3 353.397 3.327 20 30 FGEDHM COC[C@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1cccc(Cl)c1 ZINC000516870886 503605457 /nfs/dbraw/zinc/60/54/57/503605457.db2.gz QOVARTCDSRSXGQ-INIZCTEOSA-N -1 3 370.902 3.421 20 30 FGEDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)CSc1ccc(C#N)cc1 ZINC000536791161 503723704 /nfs/dbraw/zinc/72/37/04/503723704.db2.gz 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ZINC000547364447 504078143 /nfs/dbraw/zinc/07/81/43/504078143.db2.gz XSGPNJSWYOFPCR-UHFFFAOYSA-N -1 3 360.417 3.420 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(C2Cc3ccccc3C2)no1 ZINC000544544720 504168502 /nfs/dbraw/zinc/16/85/02/504168502.db2.gz KQAQBLLDLDBFON-UHFFFAOYSA-N -1 3 360.417 3.326 20 30 FGEDHM CCCOC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2F)CCCCC1 ZINC000531204412 504226706 /nfs/dbraw/zinc/22/67/06/504226706.db2.gz LNFXLGYJKAKKBR-UHFFFAOYSA-N -1 3 354.447 3.105 20 30 FGEDHM N#CC(=C([O-])c1cnc2nccnc2c1)c1nc2ccccc2n1C(F)F ZINC000545449473 504491593 /nfs/dbraw/zinc/49/15/93/504491593.db2.gz YJLBVBUEIZMUPM-LLVKDONJSA-N -1 3 364.315 3.260 20 30 FGEDHM Cc1cc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)ccc1[O-] ZINC000543001050 504687346 /nfs/dbraw/zinc/68/73/46/504687346.db2.gz BCBOHARMDZQSER-UHFFFAOYSA-N -1 3 352.781 3.086 20 30 FGEDHM CCS(=O)(=O)c1cccc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)c1 ZINC000536489915 504746655 /nfs/dbraw/zinc/74/66/55/504746655.db2.gz BXWLKESGASVBKW-OAHLLOKOSA-N -1 3 367.430 3.155 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccc(Cl)cc2)c(F)c1 ZINC000521529314 504753367 /nfs/dbraw/zinc/75/33/67/504753367.db2.gz IQVZOQMKGZGRFM-DZGCQCFKSA-N -1 3 350.802 3.185 20 30 FGEDHM COc1ccc([C@@H](C)CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000565691081 504959219 /nfs/dbraw/zinc/95/92/19/504959219.db2.gz FUMIJRMUBTULIT-ZDUSSCGKSA-N -1 3 362.426 3.178 20 30 FGEDHM COc1cc(C(=O)Nc2nc(C)c(SCC#N)s2)cc(OC)c1[O-] ZINC000560321357 505045233 /nfs/dbraw/zinc/04/52/33/505045233.db2.gz SGRXTOANDVLWFD-UHFFFAOYSA-N -1 3 365.436 3.042 20 30 FGEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000563848157 505256481 /nfs/dbraw/zinc/25/64/81/505256481.db2.gz WVDNNKGPRVHIOG-LBPRGKRZSA-N -1 3 352.765 3.329 20 30 FGEDHM C=C(C)COc1cccc([N-]S(=O)(=O)CC2(C(=O)OC)CCCC2)c1 ZINC000555119166 505355384 /nfs/dbraw/zinc/35/53/84/505355384.db2.gz HXYKAQVGOUMKCC-UHFFFAOYSA-N -1 3 367.467 3.117 20 30 FGEDHM N#CC(=C([O-])c1ccc2c(c1)CCCCC2=O)c1nnc2n1CCCCC2 ZINC000564510593 505437440 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30 FGEDHM CSc1ccc(C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)cc1F ZINC000821978403 607254464 /nfs/dbraw/zinc/25/44/64/607254464.db2.gz MERNWDMLJDKZCZ-UHFFFAOYSA-N -1 3 356.430 3.242 20 30 FGEDHM CSc1ccc(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000821978403 607254465 /nfs/dbraw/zinc/25/44/65/607254465.db2.gz MERNWDMLJDKZCZ-UHFFFAOYSA-N -1 3 356.430 3.242 20 30 FGEDHM N#Cc1nccnc1Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000822846287 599111773 /nfs/dbraw/zinc/11/17/73/599111773.db2.gz UMXPSDQNJKWCIU-UHFFFAOYSA-N -1 3 374.339 3.203 20 30 FGEDHM N#Cc1nccnc1Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000822846287 599111775 /nfs/dbraw/zinc/11/17/75/599111775.db2.gz UMXPSDQNJKWCIU-UHFFFAOYSA-N -1 3 374.339 3.203 20 30 FGEDHM COc1ccc(C=CC(=O)c2ccc(OC(F)F)cc2)cc1-c1nnn[n-]1 ZINC000737082721 599150744 /nfs/dbraw/zinc/15/07/44/599150744.db2.gz YPXSHNQJQLHYAA-WAPJZHGLSA-N -1 3 372.331 3.373 20 30 FGEDHM COc1ccc(C=CC(=O)c2ccc(OC(F)F)cc2)cc1-c1nn[n-]n1 ZINC000737082721 599150747 /nfs/dbraw/zinc/15/07/47/599150747.db2.gz YPXSHNQJQLHYAA-WAPJZHGLSA-N -1 3 372.331 3.373 20 30 FGEDHM COc1ccc(C=CC(=O)c2ccc(SC)cc2)cc1-c1nnn[n-]1 ZINC000737081579 599153341 /nfs/dbraw/zinc/15/33/41/599153341.db2.gz PDQLLZHJTWPEQH-OQFOIZHKSA-N -1 3 352.419 3.493 20 30 FGEDHM COc1ccc(C=CC(=O)c2ccc(SC)cc2)cc1-c1nn[n-]n1 ZINC000737081579 599153344 /nfs/dbraw/zinc/15/33/44/599153344.db2.gz PDQLLZHJTWPEQH-OQFOIZHKSA-N -1 3 352.419 3.493 20 30 FGEDHM N#Cc1ccc(NC(=O)C[C@H]2CCCc3ccccc32)cc1-c1nnn[n-]1 ZINC000737715813 599195655 /nfs/dbraw/zinc/19/56/55/599195655.db2.gz FDUNYCGPYAQCRF-CQSZACIVSA-N -1 3 358.405 3.187 20 30 FGEDHM N#Cc1ccc(NC(=O)C[C@H]2CCCc3ccccc32)cc1-c1nn[n-]n1 ZINC000737715813 599195658 /nfs/dbraw/zinc/19/56/58/599195658.db2.gz FDUNYCGPYAQCRF-CQSZACIVSA-N -1 3 358.405 3.187 20 30 FGEDHM C=CC[C@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000735410011 599215853 /nfs/dbraw/zinc/21/58/53/599215853.db2.gz RFFCOHAJDJTKFB-LBPRGKRZSA-N -1 3 365.397 3.140 20 30 FGEDHM C[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820379589 599248738 /nfs/dbraw/zinc/24/87/38/599248738.db2.gz DSKPERMHDYSJLE-JTQLQIEISA-N -1 3 367.800 3.274 20 30 FGEDHM C[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820379589 599248740 /nfs/dbraw/zinc/24/87/40/599248740.db2.gz DSKPERMHDYSJLE-JTQLQIEISA-N -1 3 367.800 3.274 20 30 FGEDHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(C#N)c1 ZINC000820372853 599248807 /nfs/dbraw/zinc/24/88/07/599248807.db2.gz CJSYCQULKZTUJV-SNVBAGLBSA-N -1 3 367.800 3.274 20 30 FGEDHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(C#N)c1 ZINC000820372853 599248809 /nfs/dbraw/zinc/24/88/09/599248809.db2.gz CJSYCQULKZTUJV-SNVBAGLBSA-N -1 3 367.800 3.274 20 30 FGEDHM C=CCN(CCc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819743398 607286889 /nfs/dbraw/zinc/28/68/89/607286889.db2.gz IDULAGSANFWHRJ-UHFFFAOYSA-N -1 3 362.437 3.438 20 30 FGEDHM C=CCN(CCc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819743398 607286890 /nfs/dbraw/zinc/28/68/90/607286890.db2.gz IDULAGSANFWHRJ-UHFFFAOYSA-N -1 3 362.437 3.438 20 30 FGEDHM COc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c(Cl)c1OC ZINC000737081250 598417553 /nfs/dbraw/zinc/41/75/53/598417553.db2.gz MAHAKXVZAOGMSJ-SOFGYWHQSA-N -1 3 370.796 3.433 20 30 FGEDHM COc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(Cl)c1OC ZINC000737081250 598417554 /nfs/dbraw/zinc/41/75/54/598417554.db2.gz MAHAKXVZAOGMSJ-SOFGYWHQSA-N -1 3 370.796 3.433 20 30 FGEDHM COCC(CC(C)C)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736981225 598434850 /nfs/dbraw/zinc/43/48/50/598434850.db2.gz YJYJHOOXEZUJAZ-UHFFFAOYSA-N -1 3 356.352 3.346 20 30 FGEDHM COCC(CC(C)C)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736981225 598434851 /nfs/dbraw/zinc/43/48/51/598434851.db2.gz YJYJHOOXEZUJAZ-UHFFFAOYSA-N -1 3 356.352 3.346 20 30 FGEDHM C=C(C)COc1cccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735402248 598444489 /nfs/dbraw/zinc/44/44/89/598444489.db2.gz NZUVQBAMXNTYLU-ZHACJKMWSA-N -1 3 361.405 3.474 20 30 FGEDHM C=C(C)COc1cccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735402248 598444490 /nfs/dbraw/zinc/44/44/90/598444490.db2.gz NZUVQBAMXNTYLU-ZHACJKMWSA-N -1 3 361.405 3.474 20 30 FGEDHM CC(N=Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000735450963 598493988 /nfs/dbraw/zinc/49/39/88/598493988.db2.gz LMGNDEDSQYZGJC-UHFFFAOYSA-N -1 3 357.761 3.264 20 30 FGEDHM N#C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1Cl ZINC000737675514 598536887 /nfs/dbraw/zinc/53/68/87/598536887.db2.gz PGAOHMCAZOENFY-ZDUSSCGKSA-N -1 3 373.203 3.168 20 30 FGEDHM N#C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1Cl ZINC000737675514 598536889 /nfs/dbraw/zinc/53/68/89/598536889.db2.gz PGAOHMCAZOENFY-ZDUSSCGKSA-N -1 3 373.203 3.168 20 30 FGEDHM Oc1ccc(Br)cc1C=Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000738397055 598581358 /nfs/dbraw/zinc/58/13/58/598581358.db2.gz MVQPBSHQSADMGR-UHFFFAOYSA-N -1 3 362.162 3.225 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(F)cc2C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737263171 598639415 /nfs/dbraw/zinc/63/94/15/598639415.db2.gz LZXSYQWSVFYWBM-VURMDHGXSA-N -1 3 351.385 3.266 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(F)cc2C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737263171 598639417 /nfs/dbraw/zinc/63/94/17/598639417.db2.gz LZXSYQWSVFYWBM-VURMDHGXSA-N -1 3 351.385 3.266 20 30 FGEDHM C=CCN(C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C(C)C ZINC000735417108 598650856 /nfs/dbraw/zinc/65/08/56/598650856.db2.gz YZMOOHMIOAHDBJ-UHFFFAOYSA-N -1 3 364.409 3.091 20 30 FGEDHM C=CCN(C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C(C)C ZINC000735417108 598650858 /nfs/dbraw/zinc/65/08/58/598650858.db2.gz YZMOOHMIOAHDBJ-UHFFFAOYSA-N -1 3 364.409 3.091 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(F)c(C)c1 ZINC000735420427 598736766 /nfs/dbraw/zinc/73/67/66/598736766.db2.gz PKCLXNLKPSCRRT-UHFFFAOYSA-N -1 3 351.385 3.143 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(F)c(C)c1 ZINC000735420427 598736768 /nfs/dbraw/zinc/73/67/68/598736768.db2.gz PKCLXNLKPSCRRT-UHFFFAOYSA-N -1 3 351.385 3.143 20 30 FGEDHM C=CCN(CC1CCCCC1)C(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000735416488 598759681 /nfs/dbraw/zinc/75/96/81/598759681.db2.gz LVHSFAKOLZKGAX-UHFFFAOYSA-N -1 3 354.458 3.145 20 30 FGEDHM C=CCN(CC1CCCCC1)C(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000735416488 598759682 /nfs/dbraw/zinc/75/96/82/598759682.db2.gz LVHSFAKOLZKGAX-UHFFFAOYSA-N -1 3 354.458 3.145 20 30 FGEDHM COc1ccc(-c2nnn[n-]2)cc1CSCc1ccc(F)cc1C#N ZINC000821752195 607368315 /nfs/dbraw/zinc/36/83/15/607368315.db2.gz IYMKUTAYSGWWNO-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM COc1ccc(-c2nn[n-]n2)cc1CSCc1ccc(F)cc1C#N ZINC000821752195 607368317 /nfs/dbraw/zinc/36/83/17/607368317.db2.gz IYMKUTAYSGWWNO-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM N#CCCCOc1cccc(NCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737687715 599329261 /nfs/dbraw/zinc/32/92/61/599329261.db2.gz TZGUIBZBXUNMEA-UHFFFAOYSA-N -1 3 364.409 3.040 20 30 FGEDHM N#CCCCOc1cccc(NCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737687715 599329264 /nfs/dbraw/zinc/32/92/64/599329264.db2.gz TZGUIBZBXUNMEA-UHFFFAOYSA-N -1 3 364.409 3.040 20 30 FGEDHM C[C@@H](SCC(=O)Nc1cccc(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191764 599331647 /nfs/dbraw/zinc/33/16/47/599331647.db2.gz WPWTYNDMRVIGDQ-GFCCVEGCSA-N -1 3 364.434 3.171 20 30 FGEDHM C[C@@H](SCC(=O)Nc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191764 599331650 /nfs/dbraw/zinc/33/16/50/599331650.db2.gz WPWTYNDMRVIGDQ-GFCCVEGCSA-N -1 3 364.434 3.171 20 30 FGEDHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(OC(C)C)c(C#N)c1 ZINC000821737519 607373762 /nfs/dbraw/zinc/37/37/62/607373762.db2.gz XETYKGGZQFIUQT-UHFFFAOYSA-N -1 3 364.409 3.146 20 30 FGEDHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(OC(C)C)c(C#N)c1 ZINC000821737519 607373764 /nfs/dbraw/zinc/37/37/64/607373764.db2.gz XETYKGGZQFIUQT-UHFFFAOYSA-N -1 3 364.409 3.146 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)c1cccs1 ZINC000735419601 599543090 /nfs/dbraw/zinc/54/30/90/599543090.db2.gz XMBUQENHFPDFFB-ZDUSSCGKSA-N -1 3 353.451 3.247 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)c1cccs1 ZINC000735419601 599543091 /nfs/dbraw/zinc/54/30/91/599543091.db2.gz XMBUQENHFPDFFB-ZDUSSCGKSA-N -1 3 353.451 3.247 20 30 FGEDHM CC#CCOC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000819765724 599647829 /nfs/dbraw/zinc/64/78/29/599647829.db2.gz QSHQVPMTAQCRDB-UHFFFAOYSA-N -1 3 364.430 3.339 20 30 FGEDHM CC#CCOC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000819765724 599647830 /nfs/dbraw/zinc/64/78/30/599647830.db2.gz QSHQVPMTAQCRDB-UHFFFAOYSA-N -1 3 364.430 3.339 20 30 FGEDHM COc1cc([C@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc(OC)c1OC ZINC000737868827 600593736 /nfs/dbraw/zinc/59/37/36/600593736.db2.gz RPPHNNKFZCHLDA-KPZWWZAWSA-N -1 3 370.405 3.061 20 30 FGEDHM CC(C)NC(=O)Nc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000826976018 601300250 /nfs/dbraw/zinc/30/02/50/601300250.db2.gz GXRKTQAVMQMTII-GOSISDBHSA-N -1 3 366.421 3.004 20 30 FGEDHM CC(C)NC(=O)Nc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000826976022 601300487 /nfs/dbraw/zinc/30/04/87/601300487.db2.gz GXRKTQAVMQMTII-SFHVURJKSA-N -1 3 366.421 3.004 20 30 FGEDHM COc1ccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc1C#N ZINC000826203871 607559984 /nfs/dbraw/zinc/55/99/84/607559984.db2.gz JQVSNDQYRIGMDI-UHFFFAOYSA-N -1 3 374.326 3.378 20 30 FGEDHM CCCN(Cc1cc(Cl)ccc1OCC#N)[C@H]1CCN(C(=O)[O-])C1 ZINC000739360879 602991530 /nfs/dbraw/zinc/99/15/30/602991530.db2.gz XZRHHVWAGKMXJJ-HNNXBMFYSA-N -1 3 351.834 3.207 20 30 FGEDHM CC(C)(CC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)NC(=O)[O-] ZINC000738730021 603160014 /nfs/dbraw/zinc/16/00/14/603160014.db2.gz LZDOWLVCVWXQLN-LLVKDONJSA-N -1 3 372.208 3.077 20 30 FGEDHM C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824553000 604412788 /nfs/dbraw/zinc/41/27/88/604412788.db2.gz TXNSFQKZFSYSFJ-MCIONIFRSA-N -1 3 355.394 3.420 20 30 FGEDHM CC(C)(C)OC(=O)c1cccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000833443833 605103219 /nfs/dbraw/zinc/10/32/19/605103219.db2.gz BLFOCFAQRZSHHT-SFHVURJKSA-N -1 3 366.417 3.429 20 30 FGEDHM N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000822842499 606262378 /nfs/dbraw/zinc/26/23/78/606262378.db2.gz LDAXFBZHUXJINP-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#Cc1ccccc1Oc1ccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000822842499 606262380 /nfs/dbraw/zinc/26/23/80/606262380.db2.gz LDAXFBZHUXJINP-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822800925 606301035 /nfs/dbraw/zinc/30/10/35/606301035.db2.gz AWXCXKSVIJDDLY-YJBOKZPZSA-N -1 3 374.404 3.081 20 30 FGEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822800925 606301038 /nfs/dbraw/zinc/30/10/38/606301038.db2.gz AWXCXKSVIJDDLY-YJBOKZPZSA-N -1 3 374.404 3.081 20 30 FGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000822922911 606302868 /nfs/dbraw/zinc/30/28/68/606302868.db2.gz KVPPGCOUECKSDB-DUXPYHPUSA-N -1 3 361.770 3.386 20 30 FGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000822922911 606302870 /nfs/dbraw/zinc/30/28/70/606302870.db2.gz KVPPGCOUECKSDB-DUXPYHPUSA-N -1 3 361.770 3.386 20 30 FGEDHM CN(CCC#N)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000821597760 606316706 /nfs/dbraw/zinc/31/67/06/606316706.db2.gz GNURMRMNLPHPIV-UHFFFAOYSA-N -1 3 364.434 3.004 20 30 FGEDHM CN(CCC#N)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000821597760 606316708 /nfs/dbraw/zinc/31/67/08/606316708.db2.gz GNURMRMNLPHPIV-UHFFFAOYSA-N -1 3 364.434 3.004 20 30 FGEDHM C[C@H]1CCc2c(C#N)c(NC(=O)c3cc(-c4nnn[n-]4)cs3)sc2C1 ZINC000820727185 606478195 /nfs/dbraw/zinc/47/81/95/606478195.db2.gz IKVFLAHZYMWZHH-QMMMGPOBSA-N -1 3 370.463 3.238 20 30 FGEDHM C[C@H]1CCc2c(C#N)c(NC(=O)c3cc(-c4nn[n-]n4)cs3)sc2C1 ZINC000820727185 606478197 /nfs/dbraw/zinc/47/81/97/606478197.db2.gz IKVFLAHZYMWZHH-QMMMGPOBSA-N -1 3 370.463 3.238 20 30 FGEDHM CN(CCC#N)C(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000821598182 606641961 /nfs/dbraw/zinc/64/19/61/606641961.db2.gz ULXRENLIHIKJOW-UHFFFAOYSA-N -1 3 363.381 3.036 20 30 FGEDHM CN(CCC#N)C(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000821598182 606641962 /nfs/dbraw/zinc/64/19/62/606641962.db2.gz ULXRENLIHIKJOW-UHFFFAOYSA-N -1 3 363.381 3.036 20 30 FGEDHM N#Cc1ccc(SCCCOc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000822833648 606868946 /nfs/dbraw/zinc/86/89/46/606868946.db2.gz UEZRUZWPWHCOKD-UHFFFAOYSA-N -1 3 355.398 3.439 20 30 FGEDHM N#Cc1ccc(SCCCOc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000822833648 606868947 /nfs/dbraw/zinc/86/89/47/606868947.db2.gz UEZRUZWPWHCOKD-UHFFFAOYSA-N -1 3 355.398 3.439 20 30 FGEDHM N#Cc1ccc(SC[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826386011 607843113 /nfs/dbraw/zinc/84/31/13/607843113.db2.gz LHFHSYLRYZEJMQ-AWEZNQCLSA-N -1 3 357.826 3.217 20 30 FGEDHM N#Cc1ccc(SC[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826386011 607843114 /nfs/dbraw/zinc/84/31/14/607843114.db2.gz LHFHSYLRYZEJMQ-AWEZNQCLSA-N -1 3 357.826 3.217 20 30 FGEDHM COc1ccc(CSCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1C#N ZINC000826207756 607984534 /nfs/dbraw/zinc/98/45/34/607984534.db2.gz BVMOVONHMHUZPM-UHFFFAOYSA-N -1 3 367.434 3.189 20 30 FGEDHM COc1ccc(CSCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1C#N ZINC000826207756 607984535 /nfs/dbraw/zinc/98/45/35/607984535.db2.gz BVMOVONHMHUZPM-UHFFFAOYSA-N -1 3 367.434 3.189 20 30 FGEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(CC#N)cc1 ZINC000825332228 607985271 /nfs/dbraw/zinc/98/52/71/607985271.db2.gz FXKUXQXVORDQPE-UHFFFAOYSA-N -1 3 361.409 3.007 20 30 FGEDHM Cc1sc2ncnc(N=NC(C)c3ccc(-c4nnn[n-]4)s3)c2c1C ZINC000823963149 608091670 /nfs/dbraw/zinc/09/16/70/608091670.db2.gz WWCQOZPLRMBUOD-UHFFFAOYSA-N -1 3 370.467 3.386 20 30 FGEDHM Cc1sc2ncnc(N=NC(C)c3ccc(-c4nn[n-]n4)s3)c2c1C ZINC000823963149 608091671 /nfs/dbraw/zinc/09/16/71/608091671.db2.gz WWCQOZPLRMBUOD-UHFFFAOYSA-N -1 3 370.467 3.386 20 30 FGEDHM CC(C)CNN=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000824266823 608219632 /nfs/dbraw/zinc/21/96/32/608219632.db2.gz RBGLPTWBUZDFNG-UHFFFAOYSA-N -1 3 350.426 3.025 20 30 FGEDHM CC(C)CNN=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000824266823 608219634 /nfs/dbraw/zinc/21/96/34/608219634.db2.gz RBGLPTWBUZDFNG-UHFFFAOYSA-N -1 3 350.426 3.025 20 30 FGEDHM CCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000825632143 608230167 /nfs/dbraw/zinc/23/01/67/608230167.db2.gz MLXXNMPENPXDFF-WEVVVXLNSA-N -1 3 365.349 3.070 20 30 FGEDHM CCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000825632143 608230168 /nfs/dbraw/zinc/23/01/68/608230168.db2.gz MLXXNMPENPXDFF-WEVVVXLNSA-N -1 3 365.349 3.070 20 30 FGEDHM Cc1cc(C)c(C#N)c(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000826262913 608442123 /nfs/dbraw/zinc/44/21/23/608442123.db2.gz CTTBNODHUQKUSB-UHFFFAOYSA-N -1 3 357.421 3.044 20 30 FGEDHM Cc1cc(C)c(C#N)c(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)n1 ZINC000826262913 608442124 /nfs/dbraw/zinc/44/21/24/608442124.db2.gz CTTBNODHUQKUSB-UHFFFAOYSA-N -1 3 357.421 3.044 20 30 FGEDHM Cc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1Br ZINC000826285931 608474022 /nfs/dbraw/zinc/47/40/22/608474022.db2.gz ODZQSSCDHGVVAW-UHFFFAOYSA-N -1 3 371.242 3.061 20 30 FGEDHM Cc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1Br ZINC000826285931 608474023 /nfs/dbraw/zinc/47/40/23/608474023.db2.gz ODZQSSCDHGVVAW-UHFFFAOYSA-N -1 3 371.242 3.061 20 30 FGEDHM C[C@@H](CC#N)N(C)Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000824385580 608680216 /nfs/dbraw/zinc/68/02/16/608680216.db2.gz XALXPBURFVCFMD-HNNXBMFYSA-N -1 3 362.437 3.180 20 30 FGEDHM C[C@@H](CC#N)N(C)Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000824385580 608680218 /nfs/dbraw/zinc/68/02/18/608680218.db2.gz XALXPBURFVCFMD-HNNXBMFYSA-N -1 3 362.437 3.180 20 30 FGEDHM O=C(/C=C\c1c(Cl)nc2sccn12)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399707 609134205 /nfs/dbraw/zinc/13/42/05/609134205.db2.gz CSPWIVYWTCMNOU-ARJAWSKDSA-N -1 3 374.788 3.265 20 30 FGEDHM N#CC1(COC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000826380331 609157562 /nfs/dbraw/zinc/15/75/62/609157562.db2.gz VRTACKZXJULCST-UHFFFAOYSA-N -1 3 369.425 3.043 20 30 FGEDHM N#CC1(COC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000826380331 609157563 /nfs/dbraw/zinc/15/75/63/609157563.db2.gz VRTACKZXJULCST-UHFFFAOYSA-N -1 3 369.425 3.043 20 30 FGEDHM CCCC[C@H](ON=C(C)C)C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825265765 609248864 /nfs/dbraw/zinc/24/88/64/609248864.db2.gz AZFQVUZROHAMOH-CJNGLKHVSA-N -1 3 358.446 3.015 20 30 FGEDHM CCCC[C@H](ON=C(C)C)C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825265765 609248865 /nfs/dbraw/zinc/24/88/65/609248865.db2.gz AZFQVUZROHAMOH-CJNGLKHVSA-N -1 3 358.446 3.015 20 30 FGEDHM CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000825637883 609273740 /nfs/dbraw/zinc/27/37/40/609273740.db2.gz AIPLKTNWDPKYBY-XBXARRHUSA-N -1 3 368.368 3.309 20 30 FGEDHM CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000825637883 609273742 /nfs/dbraw/zinc/27/37/42/609273742.db2.gz AIPLKTNWDPKYBY-XBXARRHUSA-N -1 3 368.368 3.309 20 30 FGEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)cc2)c1 ZINC000826386994 609459765 /nfs/dbraw/zinc/45/97/65/609459765.db2.gz BHCOGQARIYXKPS-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)cc2)c1 ZINC000826386994 609459766 /nfs/dbraw/zinc/45/97/66/609459766.db2.gz BHCOGQARIYXKPS-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000823958675 609470770 /nfs/dbraw/zinc/47/07/70/609470770.db2.gz UXXDKVACRDGBKZ-UHFFFAOYSA-N -1 3 356.773 3.085 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000823958675 609470772 /nfs/dbraw/zinc/47/07/72/609470772.db2.gz UXXDKVACRDGBKZ-UHFFFAOYSA-N -1 3 356.773 3.085 20 30 FGEDHM Cc1ccc(-c2n[nH]cc2C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)o1 ZINC000826273696 609471907 /nfs/dbraw/zinc/47/19/07/609471907.db2.gz PZCAHOYSTIVACZ-UHFFFAOYSA-N -1 3 368.788 3.258 20 30 FGEDHM Cc1ccc(-c2n[nH]cc2C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)o1 ZINC000826273696 609471910 /nfs/dbraw/zinc/47/19/10/609471910.db2.gz PZCAHOYSTIVACZ-UHFFFAOYSA-N -1 3 368.788 3.258 20 30 FGEDHM CC(=[NH+][N-]c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc(N(C)C)cc1 ZINC000823958248 609472331 /nfs/dbraw/zinc/47/23/31/609472331.db2.gz GRXGWWKRTZCKNH-UHFFFAOYSA-N -1 3 355.833 3.422 20 30 FGEDHM CC(=O)Nc1cccc(C(C)=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000824005467 609473111 /nfs/dbraw/zinc/47/31/11/609473111.db2.gz UAGDZGMFJVQELG-UHFFFAOYSA-N -1 3 369.816 3.315 20 30 FGEDHM CC(=O)Nc1cccc(C(C)=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000824005467 609473112 /nfs/dbraw/zinc/47/31/12/609473112.db2.gz UAGDZGMFJVQELG-UHFFFAOYSA-N -1 3 369.816 3.315 20 30 FGEDHM Cc1cn2c(C=NNc3ccc(-c4nn[n-]n4)c(Cl)c3)c(C)nc2s1 ZINC000826317257 609473897 /nfs/dbraw/zinc/47/38/97/609473897.db2.gz UZJPXLYOGJAVHW-UHFFFAOYSA-N -1 3 372.845 3.292 20 30 FGEDHM N#CCCn1cc(CNc2cccc(-c3nnn[n-]3)c2)c(-c2ccccc2)n1 ZINC000826382269 609475894 /nfs/dbraw/zinc/47/58/94/609475894.db2.gz WIQLEHTUBUCDRT-UHFFFAOYSA-N -1 3 370.420 3.256 20 30 FGEDHM N#CCCn1cc(CNc2cccc(-c3nn[n-]n3)c2)c(-c2ccccc2)n1 ZINC000826382269 609475896 /nfs/dbraw/zinc/47/58/96/609475896.db2.gz WIQLEHTUBUCDRT-UHFFFAOYSA-N -1 3 370.420 3.256 20 30 FGEDHM [O-]c1ccc(Br)cc1/C=N\[C@H]1CCN(c2ncccc2F)C1 ZINC000255268678 713688744 /nfs/dbraw/zinc/68/87/44/713688744.db2.gz FLGMXFMGHNIPGK-CCSWUNFSSA-N -1 3 364.218 3.387 20 30 FGEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1CCN(c2ncccc2F)C1 ZINC000255268681 713688772 /nfs/dbraw/zinc/68/87/72/713688772.db2.gz FLGMXFMGHNIPGK-HHGUGQKFSA-N -1 3 364.218 3.387 20 30 FGEDHM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1ccccc1CC#N ZINC000619463837 714839311 /nfs/dbraw/zinc/83/93/11/714839311.db2.gz MPXMNBKXOHSNCL-UHFFFAOYSA-N -1 3 352.419 3.048 20 30 FGEDHM C=CC[C@@H]1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000628487646 716160989 /nfs/dbraw/zinc/16/09/89/716160989.db2.gz JLMUTTVKFAVFJK-LLVKDONJSA-N -1 3 361.239 3.329 20 30 FGEDHM C#CCN1CCC(c2nc(-c3cc(Cl)c([O-])c(OCC)c3)no2)CC1 ZINC000771110604 723728055 /nfs/dbraw/zinc/72/80/55/723728055.db2.gz WYYQKAMOOMLGQQ-UHFFFAOYSA-N -1 3 361.829 3.307 20 30 FGEDHM COc1ccc(CN=Nc2ncncc2Cl)c(Br)c1[O-] ZINC000780275256 724456404 /nfs/dbraw/zinc/45/64/04/724456404.db2.gz OKBFKHKEMHGSJN-UHFFFAOYSA-N -1 3 357.595 3.053 20 30 FGEDHM C[C@@H](NCc1ccc(C#N)cn1)c1cc(Br)c(F)cc1[O-] ZINC000783300182 724745930 /nfs/dbraw/zinc/74/59/30/724745930.db2.gz JVMJOCIIPULNHY-SECBINFHSA-N -1 3 350.191 3.411 20 30 FGEDHM Cc1ncc(CO)c(C=NNC(=S)Nc2ccccc2C(C)C)c1[O-] ZINC000727062228 722440679 /nfs/dbraw/zinc/44/06/79/722440679.db2.gz SCXLFRKCHHAFHB-UHFFFAOYSA-N -1 3 358.467 3.032 20 30 FGEDHM COC(=O)CCSCc1cccc(N=Cc2ccc(O)c([O-])c2O)c1 ZINC000728785408 722454409 /nfs/dbraw/zinc/45/44/09/722454409.db2.gz FXWDUSWQYOYFKP-UHFFFAOYSA-N -1 3 361.419 3.350 20 30 FGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(C(C)C)n2)cc1Cl ZINC000733679277 722500077 /nfs/dbraw/zinc/50/00/77/722500077.db2.gz FNMBNDOXNGNMDF-LBPRGKRZSA-N -1 3 360.801 3.087 20 30 FGEDHM O=C1Nc2cc([O-])ccc2C1=NNc1c(F)cc(F)cc1Br ZINC000741772217 722549002 /nfs/dbraw/zinc/54/90/02/722549002.db2.gz QNRUPSYLYQYFLG-UHFFFAOYSA-N -1 3 368.137 3.201 20 30 FGEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCSc2ccc(F)cc21 ZINC000743449067 722567601 /nfs/dbraw/zinc/56/76/01/722567601.db2.gz MIYBCSTVCIMMIV-UHFFFAOYSA-N -1 3 364.467 3.188 20 30 FGEDHM CS(=O)(=O)Cc1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000746681635 722614691 /nfs/dbraw/zinc/61/46/91/722614691.db2.gz MSTYHKQBYORHNN-UHFFFAOYSA-N -1 3 368.252 3.450 20 30 FGEDHM Cc1cc(N=Cc2c([O-])c(C)ncc2CO)ccc1N1CCSCC1 ZINC000749748763 722739150 /nfs/dbraw/zinc/73/91/50/722739150.db2.gz MYTHAVZEQTZBMR-UHFFFAOYSA-N -1 3 357.479 3.200 20 30 FGEDHM CCCC[C@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)OC(CC)CC ZINC000754766058 722945448 /nfs/dbraw/zinc/94/54/48/722945448.db2.gz UXMBQYXLHGYGHI-HNNXBMFYSA-N -1 3 366.483 3.016 20 30 FGEDHM CCCCc1nc(C=Nn2c(=O)c3ccccc3[n-]c2=S)c(Cl)[nH]1 ZINC000755617946 722955077 /nfs/dbraw/zinc/95/50/77/722955077.db2.gz RTRORFXJHWGPTE-UHFFFAOYSA-N -1 3 361.858 3.287 20 30 FGEDHM CC(N=Nc1ccc([N+](=O)[O-])cn1)c1ccc(Br)cc1[O-] ZINC000756826416 722970483 /nfs/dbraw/zinc/97/04/83/722970483.db2.gz ZJFYENQWLLRFMN-UHFFFAOYSA-N -1 3 351.160 3.294 20 30 FGEDHM Cc1ccc(-c2csc3ncnc([N-]N=C4CCN(C)C4=O)c23)cc1 ZINC000761778567 723183115 /nfs/dbraw/zinc/18/31/15/723183115.db2.gz VOQKYORENIHLQX-UHFFFAOYSA-N -1 3 351.435 3.297 20 30 FGEDHM C=CCn1c(SCc2nc(C)cc(=O)[n-]2)nc2sc(C)c(C)c2c1=O ZINC000761853470 723190785 /nfs/dbraw/zinc/19/07/85/723190785.db2.gz RRTAPEQLLYIFMF-UHFFFAOYSA-N -1 3 374.491 3.357 20 30 FGEDHM COc1ccc(NN=Cc2c([O-])c(C)ncc2CO)c(C(F)(F)F)c1 ZINC000793099748 723399686 /nfs/dbraw/zinc/39/96/86/723399686.db2.gz VWJUANMSMHAHKN-UHFFFAOYSA-N -1 3 355.316 3.061 20 30 FGEDHM CC[C@@H](C)CON=Cc1cc(I)c([O-])c(OC)c1 ZINC000793158484 723405462 /nfs/dbraw/zinc/40/54/62/723405462.db2.gz HRYYDLXAWRAPSU-SECBINFHSA-N -1 3 363.195 3.402 20 30 FGEDHM COc1ccc(NC(=S)NN=Cc2c(F)ccc([O-])c2F)cc1OC ZINC000794474568 723526268 /nfs/dbraw/zinc/52/62/68/723526268.db2.gz QEYKCBKSZQCJDB-UHFFFAOYSA-N -1 3 367.377 3.008 20 30 FGEDHM COc1cc(/C=C2\CCc3nn(C)cc3C2=O)cc(Br)c1[O-] ZINC000794962842 723553319 /nfs/dbraw/zinc/55/33/19/723553319.db2.gz YZOZEMXWDVISMI-BJMVGYQFSA-N -1 3 363.211 3.109 20 30 FGEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1ccc(Sc2ccccn2)o1 ZINC000766451349 723574580 /nfs/dbraw/zinc/57/45/80/723574580.db2.gz VPLPCWRKKNXFSH-UHFFFAOYSA-N -1 3 373.459 3.279 20 30 FGEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=Cc2cncs2)cc1 ZINC000767782382 723634150 /nfs/dbraw/zinc/63/41/50/723634150.db2.gz JOPHDUIDZIEDRW-UHFFFAOYSA-N -1 3 358.448 3.390 20 30 FGEDHM C=C[C@H](CC)OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000796813640 723655811 /nfs/dbraw/zinc/65/58/11/723655811.db2.gz YALGDGVVJFWHCZ-GFCCVEGCSA-N -1 3 351.346 3.198 20 30 FGEDHM CC(C)(C#N)CCCCOC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000768675134 723665082 /nfs/dbraw/zinc/66/50/82/723665082.db2.gz YBJXKTVPXRVECE-UHFFFAOYSA-N -1 3 356.419 3.074 20 30 FGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000798467096 723934695 /nfs/dbraw/zinc/93/46/95/723934695.db2.gz KHNCBAQXJVDAKQ-VIFPVBQESA-N -1 3 351.877 3.130 20 30 FGEDHM CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(Cl)c1[O-] ZINC000775676923 724022001 /nfs/dbraw/zinc/02/20/01/724022001.db2.gz 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C=CCCCCCCNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811917566 725384809 /nfs/dbraw/zinc/38/48/09/725384809.db2.gz HMRYTJBDDOIEJL-AWEZNQCLSA-N -1 3 363.424 3.223 20 30 FGEDHM COc1cc(Cl)cc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)c1 ZINC000815909086 727106534 /nfs/dbraw/zinc/10/65/34/727106534.db2.gz QMLQOJKDNYYXSI-CQSZACIVSA-N -1 3 358.781 3.318 20 30 FGEDHM C=CCC(F)(F)C(=O)[N-]Cc1nc(-c2cccc(Br)c2)no1 ZINC000816528902 727171965 /nfs/dbraw/zinc/17/19/65/727171965.db2.gz WWBZVVUMAGNPQI-UHFFFAOYSA-N -1 3 372.169 3.327 20 30 FGEDHM C=C(C)C[C@@H](C)C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817490707 727257582 /nfs/dbraw/zinc/25/75/82/727257582.db2.gz SWQRMPJKLVCYII-TZMCWYRMSA-N -1 3 354.372 3.225 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1scnc1Cl ZINC000857053682 732096865 /nfs/dbraw/zinc/09/68/65/732096865.db2.gz AFNJVLMNRNEVAS-UHFFFAOYSA-N -1 3 351.815 3.062 20 30 FGEDHM C=CC[C@@H](C)OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000860898444 732591680 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Cc1cccc2c1CCC[C@H]2[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000595396884 507480860 /nfs/dbraw/zinc/48/08/60/507480860.db2.gz ZCJUSAVKPHKIBR-MRXNPFEDSA-N -1 3 371.418 3.131 20 30 FGEDHM Cc1csc(C2([N-]S(=O)(=O)c3cccc(Cl)c3C#N)CCC2)n1 ZINC000611024128 507485553 /nfs/dbraw/zinc/48/55/53/507485553.db2.gz GQRYUPISGSKILN-UHFFFAOYSA-N -1 3 367.883 3.334 20 30 FGEDHM Cc1cc(Br)c(S(=O)(=O)[N-][C@@H](C#N)CC(C)C)s1 ZINC000611113938 507521333 /nfs/dbraw/zinc/52/13/33/507521333.db2.gz SJZSVSSZPANWJU-SECBINFHSA-N -1 3 351.291 3.036 20 30 FGEDHM CCc1cccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)c1[O-] ZINC000611280315 507603087 /nfs/dbraw/zinc/60/30/87/507603087.db2.gz GQIDMJFKCZYZMG-UHFFFAOYSA-N -1 3 352.390 3.286 20 30 FGEDHM CC[C@H](C#N)Oc1cccc(CNc2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000736308254 598871532 /nfs/dbraw/zinc/87/15/32/598871532.db2.gz BNYODJDAXKXKBT-CYBMUJFWSA-N -1 3 370.363 3.438 20 30 FGEDHM CC[C@H](C#N)Oc1cccc(CNc2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000736308254 598871534 /nfs/dbraw/zinc/87/15/34/598871534.db2.gz BNYODJDAXKXKBT-CYBMUJFWSA-N -1 3 370.363 3.438 20 30 FGEDHM CC(C)c1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000735922652 598913475 /nfs/dbraw/zinc/91/34/75/598913475.db2.gz GQQILSQCKFBZDO-UHFFFAOYSA-N -1 3 360.421 3.433 20 30 FGEDHM CC(C)c1ccc(CCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000735922652 598913476 /nfs/dbraw/zinc/91/34/76/598913476.db2.gz GQQILSQCKFBZDO-UHFFFAOYSA-N -1 3 360.421 3.433 20 30 FGEDHM Cc1ccc2c(CC(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)coc2c1C ZINC000737372473 598918415 /nfs/dbraw/zinc/91/84/15/598918415.db2.gz YPZHDASIPMTJKX-UHFFFAOYSA-N -1 3 372.388 3.283 20 30 FGEDHM Cc1ccc2c(CC(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)coc2c1C ZINC000737372473 598918416 /nfs/dbraw/zinc/91/84/16/598918416.db2.gz YPZHDASIPMTJKX-UHFFFAOYSA-N -1 3 372.388 3.283 20 30 FGEDHM Cc1ccc(CCCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000737336925 598926948 /nfs/dbraw/zinc/92/69/48/598926948.db2.gz AGVGUBFOJBLNTN-UHFFFAOYSA-N -1 3 360.421 3.398 20 30 FGEDHM Cc1ccc(CCCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000737336925 598926949 /nfs/dbraw/zinc/92/69/49/598926949.db2.gz AGVGUBFOJBLNTN-UHFFFAOYSA-N -1 3 360.421 3.398 20 30 FGEDHM CC(C)Sc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000735921156 598927299 /nfs/dbraw/zinc/92/72/99/598927299.db2.gz MDXJMNGTIVIBEK-UHFFFAOYSA-N -1 3 364.434 3.491 20 30 FGEDHM CC(C)Sc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000735921156 598927300 /nfs/dbraw/zinc/92/73/00/598927300.db2.gz MDXJMNGTIVIBEK-UHFFFAOYSA-N -1 3 364.434 3.491 20 30 FGEDHM Cc1cccn2c(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)cnc12 ZINC000822367025 599113535 /nfs/dbraw/zinc/11/35/35/599113535.db2.gz ZDWHKJCPHOFEKT-GXDHUFHOSA-N -1 3 356.389 3.035 20 30 FGEDHM Cc1cccn2c(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)cnc12 ZINC000822367025 599113538 /nfs/dbraw/zinc/11/35/38/599113538.db2.gz ZDWHKJCPHOFEKT-GXDHUFHOSA-N -1 3 356.389 3.035 20 30 FGEDHM COc1ccc(C=NNc2ccccc2Br)cc1-c1nnn[n-]1 ZINC000737084175 599128871 /nfs/dbraw/zinc/12/88/71/599128871.db2.gz YWMDIMQLYDNHPZ-UHFFFAOYSA-N -1 3 373.214 3.084 20 30 FGEDHM COc1ccc(C=NNc2ccccc2Br)cc1-c1nn[n-]n1 ZINC000737084175 599128873 /nfs/dbraw/zinc/12/88/73/599128873.db2.gz YWMDIMQLYDNHPZ-UHFFFAOYSA-N -1 3 373.214 3.084 20 30 FGEDHM O=C(/C=C/c1cccc(-c2nn[n-]n2)c1)c1c(Cl)nc2sccn21 ZINC000737801086 599158292 /nfs/dbraw/zinc/15/82/92/599158292.db2.gz RUCSKSNMTDNMBJ-SNAWJCMRSA-N -1 3 356.798 3.125 20 30 FGEDHM N#Cc1cc(NC(=O)Cc2cc(Cl)ccc2Cl)ccc1-c1nnn[n-]1 ZINC000737709179 599198313 /nfs/dbraw/zinc/19/83/13/599198313.db2.gz KSBQUPUTHXBVJO-UHFFFAOYSA-N -1 3 373.203 3.226 20 30 FGEDHM N#Cc1cc(NC(=O)Cc2cc(Cl)ccc2Cl)ccc1-c1nn[n-]n1 ZINC000737709179 599198315 /nfs/dbraw/zinc/19/83/15/599198315.db2.gz KSBQUPUTHXBVJO-UHFFFAOYSA-N -1 3 373.203 3.226 20 30 FGEDHM C=CC[C@H](C)NC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735410113 599211793 /nfs/dbraw/zinc/21/17/93/599211793.db2.gz ULPQXCIYXYFAIP-NSHDSACASA-N -1 3 369.454 3.000 20 30 FGEDHM C=CC[C@H](C)NC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735410113 599211796 /nfs/dbraw/zinc/21/17/96/599211796.db2.gz ULPQXCIYXYFAIP-NSHDSACASA-N -1 3 369.454 3.000 20 30 FGEDHM C=C(C)COc1cccc(NCc2ccc(OC)c(-c3nnn[n-]3)c2)c1 ZINC000819722482 607315565 /nfs/dbraw/zinc/31/55/65/607315565.db2.gz JWUPCQHUPKXAAP-UHFFFAOYSA-N -1 3 351.410 3.442 20 30 FGEDHM C=C(C)COc1cccc(NCc2ccc(OC)c(-c3nn[n-]n3)c2)c1 ZINC000819722482 607315566 /nfs/dbraw/zinc/31/55/66/607315566.db2.gz JWUPCQHUPKXAAP-UHFFFAOYSA-N -1 3 351.410 3.442 20 30 FGEDHM Fc1ccccc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737670213 598314613 /nfs/dbraw/zinc/31/46/13/598314613.db2.gz TYBOAKXTUCEEIE-UHFFFAOYSA-N -1 3 350.279 3.471 20 30 FGEDHM Fc1ccccc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737670213 598314615 /nfs/dbraw/zinc/31/46/15/598314615.db2.gz TYBOAKXTUCEEIE-UHFFFAOYSA-N -1 3 350.279 3.471 20 30 FGEDHM C=CCCC(=O)Nc1ccc(Oc2ncccc2-c2nnn[n-]2)cc1C ZINC000735408533 598326669 /nfs/dbraw/zinc/32/66/69/598326669.db2.gz NFUUYIWSEOVXQR-UHFFFAOYSA-N -1 3 350.382 3.267 20 30 FGEDHM O=C1c2cc(Br)ccc2OC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738291042 598357872 /nfs/dbraw/zinc/35/78/72/598357872.db2.gz RRSKNUOWIUDKGE-VGOFMYFVSA-N -1 3 369.178 3.245 20 30 FGEDHM O=C1c2cc(Br)ccc2OC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738291042 598357874 /nfs/dbraw/zinc/35/78/74/598357874.db2.gz RRSKNUOWIUDKGE-VGOFMYFVSA-N -1 3 369.178 3.245 20 30 FGEDHM CC(C)c1ccccc1NC(=S)NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735932514 598414359 /nfs/dbraw/zinc/41/43/59/598414359.db2.gz NLCZAQRBLHKFNA-UHFFFAOYSA-N -1 3 365.466 3.311 20 30 FGEDHM CC(C)c1ccccc1NC(=S)NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735932514 598414360 /nfs/dbraw/zinc/41/43/60/598414360.db2.gz NLCZAQRBLHKFNA-UHFFFAOYSA-N -1 3 365.466 3.311 20 30 FGEDHM COc1cc(C#N)cc(Cl)c1OCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737035662 598674582 /nfs/dbraw/zinc/67/45/82/598674582.db2.gz WPKBUDWEQWOOAL-UHFFFAOYSA-N -1 3 359.748 3.118 20 30 FGEDHM COc1cc(C#N)cc(Cl)c1OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737035662 598674583 /nfs/dbraw/zinc/67/45/83/598674583.db2.gz WPKBUDWEQWOOAL-UHFFFAOYSA-N -1 3 359.748 3.118 20 30 FGEDHM C#C[C@H](C)OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000819688090 599624526 /nfs/dbraw/zinc/62/45/26/599624526.db2.gz CYLAJOALPGBBKG-NSHDSACASA-N -1 3 368.780 3.491 20 30 FGEDHM C#C[C@H](C)OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000819688090 599624527 /nfs/dbraw/zinc/62/45/27/599624527.db2.gz CYLAJOALPGBBKG-NSHDSACASA-N -1 3 368.780 3.491 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)C[C@H](C)CC ZINC000819743094 599678445 /nfs/dbraw/zinc/67/84/45/599678445.db2.gz CGWZIJBRQKCYPB-HUUCEWRRSA-N -1 3 356.474 3.389 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)C[C@H](C)CC ZINC000819743094 599678446 /nfs/dbraw/zinc/67/84/46/599678446.db2.gz CGWZIJBRQKCYPB-HUUCEWRRSA-N -1 3 356.474 3.389 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC#Cc1cccc(Cl)c1 ZINC000826251583 607388112 /nfs/dbraw/zinc/38/81/12/607388112.db2.gz UWSLGFAOJUVSRV-UHFFFAOYSA-N -1 3 352.781 3.037 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC#Cc1cccc(Cl)c1 ZINC000826251583 607388113 /nfs/dbraw/zinc/38/81/13/607388113.db2.gz UWSLGFAOJUVSRV-UHFFFAOYSA-N -1 3 352.781 3.037 20 30 FGEDHM C=CCC[C@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819735033 607388384 /nfs/dbraw/zinc/38/83/84/607388384.db2.gz YZZCJAYATPNIKL-SFHVURJKSA-N -1 3 362.437 3.373 20 30 FGEDHM C=CCC[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819735033 607388386 /nfs/dbraw/zinc/38/83/86/607388386.db2.gz YZZCJAYATPNIKL-SFHVURJKSA-N -1 3 362.437 3.373 20 30 FGEDHM C=C(C)CN1CCC(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])CC1 ZINC000736094583 599951384 /nfs/dbraw/zinc/95/13/84/599951384.db2.gz OFAHZBNOJASTJD-AWEZNQCLSA-N -1 3 362.495 3.022 20 30 FGEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000739103558 600561822 /nfs/dbraw/zinc/56/18/22/600561822.db2.gz BQJBPFMVJJYIBS-SFHVURJKSA-N -1 3 355.825 3.160 20 30 FGEDHM N#Cc1ccc([C@@H](NCc2ccc(OC(F)(F)F)cc2)C(=O)[O-])cc1 ZINC000739106269 600592616 /nfs/dbraw/zinc/59/26/16/600592616.db2.gz LDMSPASOXBGUSD-OAHLLOKOSA-N -1 3 350.296 3.372 20 30 FGEDHM CC(C)NC(=O)Nc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736477007 600593156 /nfs/dbraw/zinc/59/31/56/600593156.db2.gz ZCSYGCPMTAJVEJ-SFHVURJKSA-N -1 3 366.421 3.004 20 30 FGEDHM CCCC(=O)Nc1cccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736952655 600593714 /nfs/dbraw/zinc/59/37/14/600593714.db2.gz SPSLMPWMALHHKM-LJQANCHMSA-N -1 3 351.406 3.212 20 30 FGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1c(Cl)nc2ccccn21 ZINC000822922957 607460651 /nfs/dbraw/zinc/46/06/51/607460651.db2.gz LNTXCSCPSNKGBO-SREVYHEPSA-N -1 3 368.759 3.203 20 30 FGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1c(Cl)nc2ccccn21 ZINC000822922957 607460652 /nfs/dbraw/zinc/46/06/52/607460652.db2.gz LNTXCSCPSNKGBO-SREVYHEPSA-N -1 3 368.759 3.203 20 30 FGEDHM COc1cc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000821708507 607459543 /nfs/dbraw/zinc/45/95/43/607459543.db2.gz RESBSCVXCGYDGM-VOTSOKGWSA-N -1 3 368.368 3.228 20 30 FGEDHM COc1cc(C)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000821708507 607459544 /nfs/dbraw/zinc/45/95/44/607459544.db2.gz RESBSCVXCGYDGM-VOTSOKGWSA-N -1 3 368.368 3.228 20 30 FGEDHM N#Cc1cccc([C@H](NCc2ccc(OC(F)(F)F)cc2)C(=O)[O-])c1 ZINC000833074577 601299513 /nfs/dbraw/zinc/29/95/13/601299513.db2.gz BAQJUFBTDZUSOV-HNNXBMFYSA-N -1 3 350.296 3.372 20 30 FGEDHM C=C(C)CN1CCC(NC(=O)Nc2cccc(CN(CC)C(=O)[O-])c2)CC1 ZINC000738485259 603142299 /nfs/dbraw/zinc/14/22/99/603142299.db2.gz HGRALBPBEICHEP-UHFFFAOYSA-N -1 3 374.485 3.349 20 30 FGEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cccc(-c2ccccn2)c1 ZINC000823862143 607653880 /nfs/dbraw/zinc/65/38/80/607653880.db2.gz YFKUPTSOVAQOIC-UHFFFAOYSA-N -1 3 355.405 3.052 20 30 FGEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cccc(-c2ccccn2)c1 ZINC000823862143 607653881 /nfs/dbraw/zinc/65/38/81/607653881.db2.gz YFKUPTSOVAQOIC-UHFFFAOYSA-N -1 3 355.405 3.052 20 30 FGEDHM N#Cc1cccc(-c2csc(NC(=O)c3cccc(-c4nnn[n-]4)c3)n2)c1 ZINC000826386676 607770633 /nfs/dbraw/zinc/77/06/33/607770633.db2.gz NZNYODTUMQFBCO-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM N#Cc1cccc(-c2csc(NC(=O)c3cccc(-c4nn[n-]n4)c3)n2)c1 ZINC000826386676 607770634 /nfs/dbraw/zinc/77/06/34/607770634.db2.gz NZNYODTUMQFBCO-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(F)c(F)c1F ZINC000819745374 606154513 /nfs/dbraw/zinc/15/45/13/606154513.db2.gz ABWCDSHUVMSOOP-UHFFFAOYSA-N -1 3 373.338 3.112 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(F)c(F)c1F ZINC000819745374 606154515 /nfs/dbraw/zinc/15/45/15/606154515.db2.gz ABWCDSHUVMSOOP-UHFFFAOYSA-N -1 3 373.338 3.112 20 30 FGEDHM C#CC(C)(C)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819688856 606321081 /nfs/dbraw/zinc/32/10/81/606321081.db2.gz PEYCPWWFZNUZNU-UHFFFAOYSA-N -1 3 363.446 3.160 20 30 FGEDHM C#CC(C)(C)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819688856 606321083 /nfs/dbraw/zinc/32/10/83/606321083.db2.gz PEYCPWWFZNUZNU-UHFFFAOYSA-N -1 3 363.446 3.160 20 30 FGEDHM N#Cc1ccc(NN=Cc2ccc(-c3nnn[n-]3)s2)cc1C(F)(F)F ZINC000822832968 606370726 /nfs/dbraw/zinc/37/07/26/606370726.db2.gz LAWUKCANTGJXRJ-UHFFFAOYSA-N -1 3 363.328 3.265 20 30 FGEDHM Cc1cccc2ncc(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)n21 ZINC000822340826 606392604 /nfs/dbraw/zinc/39/26/04/606392604.db2.gz JNZXIVHVAPMHGI-GXDHUFHOSA-N -1 3 356.389 3.035 20 30 FGEDHM Cc1cccc2ncc(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)n21 ZINC000822340826 606392606 /nfs/dbraw/zinc/39/26/06/606392606.db2.gz JNZXIVHVAPMHGI-GXDHUFHOSA-N -1 3 356.389 3.035 20 30 FGEDHM C[C@H](CC#N)OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820220287 606396342 /nfs/dbraw/zinc/39/63/42/606396342.db2.gz QCTWKTVMVVGPRI-GFCCVEGCSA-N -1 3 365.418 3.477 20 30 FGEDHM C[C@H](CC#N)OC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820220287 606396343 /nfs/dbraw/zinc/39/63/43/606396343.db2.gz QCTWKTVMVVGPRI-GFCCVEGCSA-N -1 3 365.418 3.477 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1nc2cc(Cl)ccc2n1C ZINC000819772626 606433647 /nfs/dbraw/zinc/43/36/47/606433647.db2.gz HRPCBXJUVBUZSF-UHFFFAOYSA-N -1 3 366.816 3.243 20 30 FGEDHM N#Cc1cc(Cl)ccc1SCC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822819320 606631055 /nfs/dbraw/zinc/63/10/55/606631055.db2.gz PAEFURGFKJMCAN-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1cc(Cl)ccc1SCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822819320 606631058 /nfs/dbraw/zinc/63/10/58/606631058.db2.gz PAEFURGFKJMCAN-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM O=C(C=Cc1c[nH]nc1-c1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000822923393 606695217 /nfs/dbraw/zinc/69/52/17/606695217.db2.gz QTNBSVQAEPJJKO-HJWRWDBZSA-N -1 3 360.352 3.292 20 30 FGEDHM O=C(C=Cc1c[nH]nc1-c1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000822923393 606695218 /nfs/dbraw/zinc/69/52/18/606695218.db2.gz QTNBSVQAEPJJKO-HJWRWDBZSA-N -1 3 360.352 3.292 20 30 FGEDHM C=C[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000819730346 606814558 /nfs/dbraw/zinc/81/45/58/606814558.db2.gz WWYDBHUAFFWAPY-GFCCVEGCSA-N -1 3 351.435 3.322 20 30 FGEDHM C=C[C@@H](C)NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000819730346 606814559 /nfs/dbraw/zinc/81/45/59/606814559.db2.gz WWYDBHUAFFWAPY-GFCCVEGCSA-N -1 3 351.435 3.322 20 30 FGEDHM COc1ccc(C=C2CCOc3cc(C)ccc3C2=O)cc1-c1nnn[n-]1 ZINC000821787606 606836421 /nfs/dbraw/zinc/83/64/21/606836421.db2.gz WBUDZGCSHUXUHL-UVTDQMKNSA-N -1 3 362.389 3.233 20 30 FGEDHM COc1ccc(C=C2CCOc3cc(C)ccc3C2=O)cc1-c1nn[n-]n1 ZINC000821787606 606836423 /nfs/dbraw/zinc/83/64/23/606836423.db2.gz WBUDZGCSHUXUHL-UVTDQMKNSA-N -1 3 362.389 3.233 20 30 FGEDHM N#Cc1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000822829965 607242829 /nfs/dbraw/zinc/24/28/29/607242829.db2.gz RCMODAZMHLLWPZ-SOFGYWHQSA-N -1 3 350.769 3.044 20 30 FGEDHM N#Cc1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000822829965 607242830 /nfs/dbraw/zinc/24/28/30/607242830.db2.gz RCMODAZMHLLWPZ-SOFGYWHQSA-N -1 3 350.769 3.044 20 30 FGEDHM N#Cc1ccccc1C=CC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000822837888 607242994 /nfs/dbraw/zinc/24/29/94/607242994.db2.gz WZIXWRRNKSBYSP-VURMDHGXSA-N -1 3 350.769 3.044 20 30 FGEDHM N#Cc1ccccc1C=CC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000822837888 607242995 /nfs/dbraw/zinc/24/29/95/607242995.db2.gz WZIXWRRNKSBYSP-VURMDHGXSA-N -1 3 350.769 3.044 20 30 FGEDHM N#Cc1cccc(NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)n1 ZINC000826387220 608295490 /nfs/dbraw/zinc/29/54/90/608295490.db2.gz LBRSZLWHZCFPHA-UHFFFAOYSA-N -1 3 353.389 3.412 20 30 FGEDHM N#Cc1cccc(NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)n1 ZINC000826387220 608295491 /nfs/dbraw/zinc/29/54/91/608295491.db2.gz LBRSZLWHZCFPHA-UHFFFAOYSA-N -1 3 353.389 3.412 20 30 FGEDHM C#CCCCCC(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000823837325 608317863 /nfs/dbraw/zinc/31/78/63/608317863.db2.gz BNSNKGZSDGAQRK-UHFFFAOYSA-N -1 3 352.423 3.122 20 30 FGEDHM C#CCCCCC(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000823837325 608317865 /nfs/dbraw/zinc/31/78/65/608317865.db2.gz BNSNKGZSDGAQRK-UHFFFAOYSA-N -1 3 352.423 3.122 20 30 FGEDHM N#Cc1cccc(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1F ZINC000826386451 608420793 /nfs/dbraw/zinc/42/07/93/608420793.db2.gz FYISTWZRFCZDCS-UHFFFAOYSA-N -1 3 360.396 3.167 20 30 FGEDHM COc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c(Cl)c1 ZINC000826190605 608539257 /nfs/dbraw/zinc/53/92/57/608539257.db2.gz HHRASFQIRYJRLW-UHFFFAOYSA-N -1 3 364.196 3.023 20 30 FGEDHM COc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(Cl)c1 ZINC000826190605 608539259 /nfs/dbraw/zinc/53/92/59/608539259.db2.gz HHRASFQIRYJRLW-UHFFFAOYSA-N -1 3 364.196 3.023 20 30 FGEDHM C=CCN(Cc1ccc(OC)cc1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000823909879 608647378 /nfs/dbraw/zinc/64/73/78/608647378.db2.gz SLBLBXNTQBKXDL-UHFFFAOYSA-N -1 3 353.401 3.203 20 30 FGEDHM C=CCN(Cc1ccc(OC)cc1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000823909879 608647381 /nfs/dbraw/zinc/64/73/81/608647381.db2.gz SLBLBXNTQBKXDL-UHFFFAOYSA-N -1 3 353.401 3.203 20 30 FGEDHM C=CCN(Cc1cc(-c2nnn[n-]2)cs1)Cc1cccc([N+](=O)[O-])c1 ZINC000823919884 608652654 /nfs/dbraw/zinc/65/26/54/608652654.db2.gz SBQZERJYERSSNF-UHFFFAOYSA-N -1 3 356.411 3.025 20 30 FGEDHM C=CCN(Cc1cc(-c2nn[n-]n2)cs1)Cc1cccc([N+](=O)[O-])c1 ZINC000823919884 608652657 /nfs/dbraw/zinc/65/26/57/608652657.db2.gz SBQZERJYERSSNF-UHFFFAOYSA-N -1 3 356.411 3.025 20 30 FGEDHM Cc1cn2c(/C=C\C(=O)c3ccc(-c4nn[n-]n4)cc3F)c(C)nc2s1 ZINC000826317147 609270418 /nfs/dbraw/zinc/27/04/18/609270418.db2.gz PEMUMWYGRVKLMB-WAYWQWQTSA-N -1 3 368.397 3.228 20 30 FGEDHM N#Cc1ccc(COc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000826385150 609304661 /nfs/dbraw/zinc/30/46/61/609304661.db2.gz ZLKGPWCTEDCFSH-UHFFFAOYSA-N -1 3 356.183 3.080 20 30 FGEDHM N#Cc1ccc(COc2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000826385150 609304663 /nfs/dbraw/zinc/30/46/63/609304663.db2.gz ZLKGPWCTEDCFSH-UHFFFAOYSA-N -1 3 356.183 3.080 20 30 FGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826400256 609442719 /nfs/dbraw/zinc/44/27/19/609442719.db2.gz UCTSKUUEAMMLET-BAQGIRSFSA-N -1 3 355.741 3.324 20 30 FGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826400256 609442722 /nfs/dbraw/zinc/44/27/22/609442722.db2.gz UCTSKUUEAMMLET-BAQGIRSFSA-N -1 3 355.741 3.324 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1nc2ccccc2n1C ZINC000823958257 609472140 /nfs/dbraw/zinc/47/21/40/609472140.db2.gz GVCOQDMCBGRLQR-UHFFFAOYSA-N -1 3 366.816 3.243 20 30 FGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N2CCCC2)c(F)c1 ZINC000114673666 700581099 /nfs/dbraw/zinc/58/10/99/700581099.db2.gz RJOZXRWDIKREIE-UHFFFAOYSA-N -1 3 359.426 3.407 20 30 FGEDHM O=C(C1CCCC1)N1CC[C@@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000122911638 700697467 /nfs/dbraw/zinc/69/74/67/700697467.db2.gz NFEFUJWWPIDRQD-GDXCHIGESA-N -1 3 365.271 3.365 20 30 FGEDHM Cc1cccc(NC(=O)C(C#N)=C([O-])c2c(Cl)nc3ccccn32)c1 ZINC000127675498 700764636 /nfs/dbraw/zinc/76/46/36/700764636.db2.gz SYUDEOGMJSIYNG-ZDUSSCGKSA-N -1 3 352.781 3.257 20 30 FGEDHM N#Cc1ccccc1/C=C\C(=O)NCc1ccc([O-])c(Br)c1 ZINC000255774559 713706978 /nfs/dbraw/zinc/70/69/78/713706978.db2.gz RSCPOGXFLKNPHZ-VURMDHGXSA-N -1 3 357.207 3.356 20 30 FGEDHM N#C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000619781986 714870639 /nfs/dbraw/zinc/87/06/39/714870639.db2.gz MBEXVJFKPXJPGM-KRWDZBQOSA-N -1 3 355.825 3.068 20 30 FGEDHM C=C(C)CCOC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000803257901 724440506 /nfs/dbraw/zinc/44/05/06/724440506.db2.gz JUJTVWJJSSXVJD-UHFFFAOYSA-N -1 3 366.266 3.171 20 30 FGEDHM C=CCCC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000790448692 723141383 /nfs/dbraw/zinc/14/13/83/723141383.db2.gz CBOCPXNSAIXFEA-UHFFFAOYSA-N -1 3 368.680 3.356 20 30 FGEDHM C=C(C)CCOC(=O)c1c(Cl)ccc(S(=O)(=O)[N-]C)c1Cl ZINC000803384073 724447426 /nfs/dbraw/zinc/44/74/26/724447426.db2.gz PBTBAWWVBLHRNO-UHFFFAOYSA-N -1 3 352.239 3.025 20 30 FGEDHM COc1ccc(NN=Cc2ccc(OC)c([O-])c2Br)nc1 ZINC000780268941 724456137 /nfs/dbraw/zinc/45/61/37/724456137.db2.gz OSWVVPXECAKYLO-UHFFFAOYSA-N -1 3 352.188 3.013 20 30 FGEDHM C=CC[C@H]1N(C(=O)N=c2[n-]n(C)cc2Br)CCCC1(C)C ZINC000640313558 717721265 /nfs/dbraw/zinc/72/12/65/717721265.db2.gz NFYWSZUGNZOUGP-GFCCVEGCSA-N -1 3 355.280 3.203 20 30 FGEDHM C=CCC1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCOCC1 ZINC000657127860 719569457 /nfs/dbraw/zinc/56/94/57/719569457.db2.gz OCJXFAHDRRJHDV-UHFFFAOYSA-N -1 3 350.267 3.397 20 30 FGEDHM COc1ccc(NC(=S)NN=C(C)c2cc(F)ccc2[O-])cc1F ZINC000727261052 722442777 /nfs/dbraw/zinc/44/27/77/722442777.db2.gz NAMNVVXBPWAYNR-UHFFFAOYSA-N -1 3 351.378 3.390 20 30 FGEDHM Cc1ncc(CO)c(/C=N\[C@H]2COc3c2ccc(Cl)c3Cl)c1[O-] ZINC000743043732 722563354 /nfs/dbraw/zinc/56/33/54/722563354.db2.gz YZFQXUZLDWZKGC-DMQUYLGRSA-N -1 3 353.205 3.447 20 30 FGEDHM COc1ccc(Cl)cc1C(C)=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000743448656 722567591 /nfs/dbraw/zinc/56/75/91/722567591.db2.gz YYFQXGCOWAGZCQ-UHFFFAOYSA-N -1 3 366.870 3.235 20 30 FGEDHM CCCCCCCOC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744046806 722573049 /nfs/dbraw/zinc/57/30/49/722573049.db2.gz JUORSCHJVXJZBH-AWEZNQCLSA-N -1 3 366.483 3.017 20 30 FGEDHM Cc1cc(C=NN2CC(=O)[N-]C2=O)c(C)n1-c1cccc(Cl)c1Cl ZINC000744810816 722580577 /nfs/dbraw/zinc/58/05/77/722580577.db2.gz YWXNKHXGTFVYRL-UHFFFAOYSA-N -1 3 365.220 3.287 20 30 FGEDHM CC(=NNC(=S)N[C@@H](C)C1CC1)c1cc(Br)ccc1[O-] ZINC000751528586 722811960 /nfs/dbraw/zinc/81/19/60/722811960.db2.gz DVBXJWMJMCPUAQ-QMMMGPOBSA-N -1 3 356.289 3.141 20 30 FGEDHM COc1cc(Cl)c(C=N[N-]S(=O)(=O)Cc2ccccc2)cc1Cl ZINC000753923709 722918317 /nfs/dbraw/zinc/91/83/17/722918317.db2.gz IQRBNXDNVLZEHK-UHFFFAOYSA-N -1 3 373.261 3.456 20 30 FGEDHM Cc1ncc(CO)c(C=Nc2cc(Br)cc([N+](=O)[O-])c2)c1[O-] ZINC000790575201 723154911 /nfs/dbraw/zinc/15/49/11/723154911.db2.gz PUGZLDLURWROHR-UHFFFAOYSA-N -1 3 366.171 3.009 20 30 FGEDHM Cc1ncc(CO)c(/C=N\CC(C)(C)Oc2cc(F)cc(F)c2)c1[O-] ZINC000794682890 723540600 /nfs/dbraw/zinc/54/06/00/723540600.db2.gz ZLRSBVNAOGFPTD-WNFQYIGGSA-N -1 3 350.365 3.143 20 30 FGEDHM COc1cc(/C=C\C(=O)c2ccc3c(c2)OCC(=O)N3)cc(Cl)c1[O-] ZINC000794732979 723543594 /nfs/dbraw/zinc/54/35/94/723543594.db2.gz LQIGKEARZUJCLN-DJWKRKHSSA-N -1 3 359.765 3.281 20 30 FGEDHM [O-]c1ccc(Br)cc1/C=N/CCOCC(F)(F)C(F)F ZINC000765969657 723549188 /nfs/dbraw/zinc/54/91/88/723549188.db2.gz APZVYVXRHXGIID-NGYBGAFCSA-N -1 3 358.129 3.491 20 30 FGEDHM C=CCC[C@H](C)OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000772784392 723767919 /nfs/dbraw/zinc/76/79/19/723767919.db2.gz IZAMHRZDJASKQA-AWEZNQCLSA-N -1 3 355.456 3.113 20 30 FGEDHM COc1c([O-])c(CN=Nc2ncccc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000773035601 723775015 /nfs/dbraw/zinc/77/50/15/723775015.db2.gz SCBUFJDMPGMEKX-UHFFFAOYSA-N -1 3 356.260 3.169 20 30 FGEDHM CC(C)c1nccnc1N=NCc1cc(O)cc(Br)c1[O-] ZINC000773093943 723776639 /nfs/dbraw/zinc/77/66/39/723776639.db2.gz OZIOPHCJBJGONL-UHFFFAOYSA-N -1 3 351.204 3.220 20 30 FGEDHM Cc1ncc(CO)c(C=Nc2ccc(OC(F)(F)F)c(C#N)c2)c1[O-] ZINC000799742613 724091634 /nfs/dbraw/zinc/09/16/34/724091634.db2.gz BWVUOIGTXBVPRF-UHFFFAOYSA-N -1 3 351.284 3.109 20 30 FGEDHM N#Cc1cc2c(nc1[N-]C(=O)c1scnc1Br)CCCC2 ZINC000776349821 724134887 /nfs/dbraw/zinc/13/48/87/724134887.db2.gz GKNMMRJYQXEHAR-UHFFFAOYSA-N -1 3 363.240 3.303 20 30 FGEDHM CC(C)(C)c1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cn1 ZINC000808979316 725221865 /nfs/dbraw/zinc/22/18/65/725221865.db2.gz HPQVZJAYFRUBNN-CQSZACIVSA-N -1 3 356.813 3.389 20 30 FGEDHM CC(C)(C)c1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cn1 ZINC000808980158 725222068 /nfs/dbraw/zinc/22/20/68/725222068.db2.gz VEFPNKSQFHRZMN-GFCCVEGCSA-N -1 3 356.813 3.389 20 30 FGEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000816755132 727193132 /nfs/dbraw/zinc/19/31/32/727193132.db2.gz UCBGJLYAKWYKFE-GFCCVEGCSA-N -1 3 350.827 3.179 20 30 FGEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCC(OC2CCCC2)CC1 ZINC000834943483 729847309 /nfs/dbraw/zinc/84/73/09/729847309.db2.gz AYRXTEILFSNWPC-UHFFFAOYSA-N -1 3 350.484 3.364 20 30 FGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCCCCCC2)ccc1F ZINC000836923929 729974719 /nfs/dbraw/zinc/97/47/19/729974719.db2.gz HVZDURNIHMNCME-UHFFFAOYSA-N -1 3 368.474 3.086 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCC[C@H]1CC1(Cl)Cl ZINC000844968533 730797372 /nfs/dbraw/zinc/79/73/72/730797372.db2.gz ZDHIBAWKESZKSX-LBPRGKRZSA-N -1 3 370.280 3.299 20 30 FGEDHM C[C@@H](C(=O)OC(C)(C)C)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845832576 730901062 /nfs/dbraw/zinc/90/10/62/730901062.db2.gz FCNCTSSBEKHZIT-YPMHNXCESA-N -1 3 361.463 3.496 20 30 FGEDHM C[C@]1(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@]1(F)Cl ZINC000845977167 730914407 /nfs/dbraw/zinc/91/44/07/730914407.db2.gz VBJLOUHWRRTUMH-STQMWFEESA-N -1 3 351.230 3.195 20 30 FGEDHM C=C[C@H](C)O[N-]C(=O)CC1(CC(=O)Nc2nccs2)CCCCC1 ZINC000846546270 730962675 /nfs/dbraw/zinc/96/26/75/730962675.db2.gz UMPUOHLEZGMKAA-ZDUSSCGKSA-N -1 3 351.472 3.435 20 30 FGEDHM CS(=O)(=O)C1(C/N=C/c2cc(Br)ccc2[O-])CCCCC1 ZINC000849172165 731233780 /nfs/dbraw/zinc/23/37/80/731233780.db2.gz NFSPJJRVCQMSTI-LICLKQGHSA-N -1 3 374.300 3.321 20 30 FGEDHM C#Cc1cccnc1N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000853188990 731677863 /nfs/dbraw/zinc/67/78/63/731677863.db2.gz KTIFLSLHHSEJFR-UHFFFAOYSA-N -1 3 355.825 3.277 20 30 FGEDHM CC(C)(c1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)cc1)C(F)(F)F ZINC000879375848 736985884 /nfs/dbraw/zinc/98/58/84/736985884.db2.gz REKOWPOTUVSVJF-GFCCVEGCSA-N -1 3 359.348 3.028 20 30 FGEDHM O=C([C@@H]1COc2ccc(Br)cc21)N([O-])Cc1ccc(F)cc1 ZINC000900094921 743063533 /nfs/dbraw/zinc/06/35/33/743063533.db2.gz UHANURDDXYHBDZ-CQSZACIVSA-N -1 3 366.186 3.482 20 30 FGEDHM CNc1nccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c1[N+](=O)[O-] ZINC000900096306 743063849 /nfs/dbraw/zinc/06/38/49/743063849.db2.gz YVUWYOQBSXYDSP-UHFFFAOYSA-N -1 3 371.180 3.370 20 30 FGEDHM COc1ccc(C=NNC2C[C@H](C)O[C@@H](C)C2)c(Br)c1[O-] ZINC000901308734 743250944 /nfs/dbraw/zinc/25/09/44/743250944.db2.gz WAZUURYNSPOHRZ-UWVGGRQHSA-N -1 3 357.248 3.043 20 30 FGEDHM C=CCN(CC(=O)[O-])Cc1cc(Br)c(OCCC)c(OC)c1 ZINC000901587007 743593587 /nfs/dbraw/zinc/59/35/87/743593587.db2.gz UAEBFZPATNEVNW-UHFFFAOYSA-N -1 3 372.259 3.319 20 30 FGEDHM CC1(C)CCC[C@@H](CS(=O)(=O)[N-]c2cccc(OCCCC#N)c2)O1 ZINC000901605697 743598733 /nfs/dbraw/zinc/59/87/33/743598733.db2.gz RJBLVGWBGWAQDV-KRWDZBQOSA-N -1 3 366.483 3.459 20 30 FGEDHM 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CC(CCc1ccccc1[N+](=O)[O-])N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000735992347 599066987 /nfs/dbraw/zinc/06/69/87/599066987.db2.gz COPMJEBFPGFNSU-UHFFFAOYSA-N -1 3 351.370 3.196 20 30 FGEDHM CC(CCc1ccccc1[N+](=O)[O-])N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000735992347 599066990 /nfs/dbraw/zinc/06/69/90/599066990.db2.gz COPMJEBFPGFNSU-UHFFFAOYSA-N -1 3 351.370 3.196 20 30 FGEDHM Cc1cc(C)c2ncc(-c3nnn[n-]3)c(NCc3cc(C#N)ccc3F)c2c1 ZINC000822196777 599069452 /nfs/dbraw/zinc/06/94/52/599069452.db2.gz WXEIDSNAJWXGSM-UHFFFAOYSA-N -1 3 373.395 3.077 20 30 FGEDHM Cc1cc(C)c2ncc(-c3nn[n-]n3)c(NCc3cc(C#N)ccc3F)c2c1 ZINC000822196777 599069454 /nfs/dbraw/zinc/06/94/54/599069454.db2.gz WXEIDSNAJWXGSM-UHFFFAOYSA-N -1 3 373.395 3.077 20 30 FGEDHM N#Cc1ccccc1SCC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000737728216 599110231 /nfs/dbraw/zinc/11/02/31/599110231.db2.gz ZQGLXMNPDBLWKS-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1ccccc1SCC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000737728216 599110232 /nfs/dbraw/zinc/11/02/32/599110232.db2.gz ZQGLXMNPDBLWKS-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM C[C@H](C#N)Oc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000819856815 599112449 /nfs/dbraw/zinc/11/24/49/599112449.db2.gz MONVBZJGIWRGQG-YDRQLGOLSA-N -1 3 371.400 3.370 20 30 FGEDHM C[C@H](C#N)Oc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000819856815 599112452 /nfs/dbraw/zinc/11/24/52/599112452.db2.gz MONVBZJGIWRGQG-YDRQLGOLSA-N -1 3 371.400 3.370 20 30 FGEDHM COc1ccc2c(c1)CCC(=Cc1ccc(OC)c(-c3nnn[n-]3)c1)C2=O ZINC000737116566 599154369 /nfs/dbraw/zinc/15/43/69/599154369.db2.gz UIAORNJUEYMNDU-ZROIWOOFSA-N -1 3 362.389 3.096 20 30 FGEDHM COc1ccc2c(c1)CCC(=Cc1ccc(OC)c(-c3nn[n-]n3)c1)C2=O ZINC000737116566 599154374 /nfs/dbraw/zinc/15/43/74/599154374.db2.gz UIAORNJUEYMNDU-ZROIWOOFSA-N -1 3 362.389 3.096 20 30 FGEDHM O=C(/C=C\c1ccc(-c2nn[n-]n2)cc1)c1c(Cl)nc2sccn21 ZINC000737797008 599158529 /nfs/dbraw/zinc/15/85/29/599158529.db2.gz PUEKRGHLGMTHPD-UTCJRWHESA-N -1 3 356.798 3.125 20 30 FGEDHM CCSc1ccccc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736665008 599191212 /nfs/dbraw/zinc/19/12/12/599191212.db2.gz CYXKQYXOOQSHGJ-UHFFFAOYSA-N -1 3 350.407 3.103 20 30 FGEDHM CCSc1ccccc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736665008 599191216 /nfs/dbraw/zinc/19/12/16/599191216.db2.gz CYXKQYXOOQSHGJ-UHFFFAOYSA-N -1 3 350.407 3.103 20 30 FGEDHM CC(=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1Cl ZINC000735448511 599196999 /nfs/dbraw/zinc/19/69/99/599196999.db2.gz RZPFMTQZYKUYJD-FLIBITNWSA-N -1 3 364.796 3.434 20 30 FGEDHM CC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1Cl ZINC000735448511 599197001 /nfs/dbraw/zinc/19/70/01/599197001.db2.gz RZPFMTQZYKUYJD-FLIBITNWSA-N -1 3 364.796 3.434 20 30 FGEDHM C=CC[C@H](C)NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735410051 599203492 /nfs/dbraw/zinc/20/34/92/599203492.db2.gz SHMZSPYJXKFXRA-AWEZNQCLSA-N -1 3 363.421 3.140 20 30 FGEDHM C=CC[C@H](C)NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735410051 599203494 /nfs/dbraw/zinc/20/34/94/599203494.db2.gz SHMZSPYJXKFXRA-AWEZNQCLSA-N -1 3 363.421 3.140 20 30 FGEDHM O=C(C=Cc1ccc(Oc2cnccn2)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000822929365 599236823 /nfs/dbraw/zinc/23/68/23/599236823.db2.gz SXZSGBRRVTWEAQ-TWGQIWQCSA-N -1 3 370.372 3.345 20 30 FGEDHM O=C(C=Cc1ccc(Oc2cnccn2)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000822929365 599236825 /nfs/dbraw/zinc/23/68/25/599236825.db2.gz SXZSGBRRVTWEAQ-TWGQIWQCSA-N -1 3 370.372 3.345 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(F)ccc2F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202943 598377461 /nfs/dbraw/zinc/37/74/61/598377461.db2.gz QDFMYFJXIPGEMF-DAXSKMNVSA-N -1 3 355.348 3.097 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(F)ccc2F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202943 598377462 /nfs/dbraw/zinc/37/74/62/598377462.db2.gz QDFMYFJXIPGEMF-DAXSKMNVSA-N -1 3 355.348 3.097 20 30 FGEDHM C#CCOc1cccc([C@@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735381619 598433800 /nfs/dbraw/zinc/43/38/00/598433800.db2.gz WWEGUDAFKDRRRD-QYMJWVLRSA-N -1 3 374.400 3.196 20 30 FGEDHM C#CCOc1cccc([C@@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735381619 598433802 /nfs/dbraw/zinc/43/38/02/598433802.db2.gz WWEGUDAFKDRRRD-QYMJWVLRSA-N -1 3 374.400 3.196 20 30 FGEDHM C=C(C)COc1cccc(NC(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735401951 598467605 /nfs/dbraw/zinc/46/76/05/598467605.db2.gz BAKUEPSHRADJKQ-UHFFFAOYSA-N -1 3 350.382 3.466 20 30 FGEDHM C=C(C)COc1cccc(NC(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735401951 598467607 /nfs/dbraw/zinc/46/76/07/598467607.db2.gz BAKUEPSHRADJKQ-UHFFFAOYSA-N -1 3 350.382 3.466 20 30 FGEDHM C=CCNC(=S)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735431247 598550986 /nfs/dbraw/zinc/55/09/86/598550986.db2.gz ACKLLAPYBQVKOH-UHFFFAOYSA-N -1 3 352.423 3.131 20 30 FGEDHM C=CCNC(=S)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735431247 598550987 /nfs/dbraw/zinc/55/09/87/598550987.db2.gz ACKLLAPYBQVKOH-UHFFFAOYSA-N -1 3 352.423 3.131 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cn1ccc(-c2ccccc2)n1 ZINC000735426352 598590334 /nfs/dbraw/zinc/59/03/34/598590334.db2.gz PXFAHIDZKGHLHJ-UHFFFAOYSA-N -1 3 371.448 3.376 20 30 FGEDHM C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000820460777 599353576 /nfs/dbraw/zinc/35/35/76/599353576.db2.gz BWDFRQJPNUJWTQ-SECBINFHSA-N -1 3 359.315 3.325 20 30 FGEDHM C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000820460777 599353579 /nfs/dbraw/zinc/35/35/79/599353579.db2.gz BWDFRQJPNUJWTQ-SECBINFHSA-N -1 3 359.315 3.325 20 30 FGEDHM C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820253916 599631095 /nfs/dbraw/zinc/63/10/95/599631095.db2.gz LAKNVPNVQUTQIU-GFCCVEGCSA-N -1 3 364.384 3.085 20 30 FGEDHM C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820253916 599631096 /nfs/dbraw/zinc/63/10/96/599631096.db2.gz LAKNVPNVQUTQIU-GFCCVEGCSA-N -1 3 364.384 3.085 20 30 FGEDHM CCc1c(C)sc(NC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1C#N ZINC000825687976 607431565 /nfs/dbraw/zinc/43/15/65/607431565.db2.gz PEZXUKJOUMUZLU-UHFFFAOYSA-N -1 3 352.423 3.231 20 30 FGEDHM CCc1c(C)sc(NC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1C#N ZINC000825687976 607431567 /nfs/dbraw/zinc/43/15/67/607431567.db2.gz PEZXUKJOUMUZLU-UHFFFAOYSA-N -1 3 352.423 3.231 20 30 FGEDHM COc1cc([C@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc(OC)c1OC ZINC000737868829 600593513 /nfs/dbraw/zinc/59/35/13/600593513.db2.gz RPPHNNKFZCHLDA-SGTLLEGYSA-N -1 3 370.405 3.061 20 30 FGEDHM COc1cc(C)c([C@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737866527 600593598 /nfs/dbraw/zinc/59/35/98/600593598.db2.gz CJVCJEKCFIOFKN-ORAYPTAESA-N -1 3 354.406 3.360 20 30 FGEDHM COc1cc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000821708506 607459276 /nfs/dbraw/zinc/45/92/76/607459276.db2.gz RESBSCVXCGYDGM-SREVYHEPSA-N -1 3 368.368 3.228 20 30 FGEDHM COc1cc(C)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000821708506 607459278 /nfs/dbraw/zinc/45/92/78/607459278.db2.gz RESBSCVXCGYDGM-SREVYHEPSA-N -1 3 368.368 3.228 20 30 FGEDHM Fc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc(C(F)(F)F)c1 ZINC000822748016 607466908 /nfs/dbraw/zinc/46/69/08/607466908.db2.gz CWFWXLNCESOTGF-UHFFFAOYSA-N -1 3 364.306 3.148 20 30 FGEDHM Fc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc(C(F)(F)F)c1 ZINC000822748016 607466909 /nfs/dbraw/zinc/46/69/09/607466909.db2.gz CWFWXLNCESOTGF-UHFFFAOYSA-N -1 3 364.306 3.148 20 30 FGEDHM COc1ccc(OC2CCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cc1 ZINC000832438903 601311811 /nfs/dbraw/zinc/31/18/11/601311811.db2.gz CKOCUMVNKOEQLG-FQEVSTJZSA-N -1 3 366.417 3.236 20 30 FGEDHM C=CCSc1nc2ccccc2n1CN1CCC(N(C)C(=O)[O-])CC1 ZINC000737536520 602527727 /nfs/dbraw/zinc/52/77/27/602527727.db2.gz DRZVLDZEIKDRCD-UHFFFAOYSA-N -1 3 360.483 3.346 20 30 FGEDHM C=C(C)CN1CCC(NC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC000825642403 604492229 /nfs/dbraw/zinc/49/22/29/604492229.db2.gz RAMWRIJVEQKSQO-SFHVURJKSA-N -1 3 373.497 3.178 20 30 FGEDHM CN(C(=O)CN[C@H](c1ccccc1)C(C)(C)C(=O)[O-])C1(C#N)CCCCC1 ZINC000833685882 605182121 /nfs/dbraw/zinc/18/21/21/605182121.db2.gz MBPNUZGDRLBQNK-GOSISDBHSA-N -1 3 371.481 3.113 20 30 FGEDHM FC(F)(F)c1cnc(N=NCc2cc(-c3nnn[n-]3)cs2)c(Cl)c1 ZINC000822727949 606204538 /nfs/dbraw/zinc/20/45/38/606204538.db2.gz CTWRMGNBFNFIQE-UHFFFAOYSA-N -1 3 373.751 3.441 20 30 FGEDHM FC(F)(F)c1cnc(N=NCc2cc(-c3nn[n-]n3)cs2)c(Cl)c1 ZINC000822727949 606204540 /nfs/dbraw/zinc/20/45/40/606204540.db2.gz CTWRMGNBFNFIQE-UHFFFAOYSA-N -1 3 373.751 3.441 20 30 FGEDHM O=C(C=Cc1cnc(-c2ccncc2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000822936905 606600309 /nfs/dbraw/zinc/60/03/09/606600309.db2.gz XXOVNCOKZYBJFZ-SNAWJCMRSA-N -1 3 360.402 3.281 20 30 FGEDHM O=C(C=Cc1cnc(-c2ccncc2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000822936905 606600311 /nfs/dbraw/zinc/60/03/11/606600311.db2.gz XXOVNCOKZYBJFZ-SNAWJCMRSA-N -1 3 360.402 3.281 20 30 FGEDHM C=CCN(Cc1cccs1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819745414 606666529 /nfs/dbraw/zinc/66/65/29/606666529.db2.gz BRZUYTVDQULTIA-UHFFFAOYSA-N -1 3 361.377 3.035 20 30 FGEDHM C=CCN(Cc1cccs1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819745414 606666530 /nfs/dbraw/zinc/66/65/30/606666530.db2.gz BRZUYTVDQULTIA-UHFFFAOYSA-N -1 3 361.377 3.035 20 30 FGEDHM C=CCC[C@@H](OC(=O)CSCc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000823894236 607779773 /nfs/dbraw/zinc/77/97/73/607779773.db2.gz LEOYHPDHTLVBQG-MRXNPFEDSA-N -1 3 358.467 3.388 20 30 FGEDHM C=CCC[C@@H](OC(=O)CSCc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000823894236 607779774 /nfs/dbraw/zinc/77/97/74/607779774.db2.gz LEOYHPDHTLVBQG-MRXNPFEDSA-N -1 3 358.467 3.388 20 30 FGEDHM Fc1cc(-c2ccncc2)ccc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826371603 607783399 /nfs/dbraw/zinc/78/33/99/607783399.db2.gz MFURPVZDABHGJN-UHFFFAOYSA-N -1 3 373.395 3.192 20 30 FGEDHM Fc1cc(-c2ccncc2)ccc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826371603 607783400 /nfs/dbraw/zinc/78/34/00/607783400.db2.gz MFURPVZDABHGJN-UHFFFAOYSA-N -1 3 373.395 3.192 20 30 FGEDHM C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(F)cc1F ZINC000824385576 607785208 /nfs/dbraw/zinc/78/52/08/607785208.db2.gz WYXGEVSCHRXIKP-JTQLQIEISA-N -1 3 368.347 3.149 20 30 FGEDHM C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(F)cc1F ZINC000824385576 607785209 /nfs/dbraw/zinc/78/52/09/607785209.db2.gz WYXGEVSCHRXIKP-JTQLQIEISA-N -1 3 368.347 3.149 20 30 FGEDHM Fc1ccc(C(F)(F)F)cc1NN=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826373343 607817015 /nfs/dbraw/zinc/81/70/15/607817015.db2.gz ITBPWEFHSRTGIR-UHFFFAOYSA-N -1 3 350.279 3.471 20 30 FGEDHM FC(F)(F)c1cc(NN=Cc2ccc3c[nH]nc3c2)ccc1-c1nnn[n-]1 ZINC000826368113 607888793 /nfs/dbraw/zinc/88/87/93/607888793.db2.gz CFGQDTSANYARRQ-UHFFFAOYSA-N -1 3 372.314 3.208 20 30 FGEDHM FC(F)(F)c1cc(NN=Cc2ccc3c[nH]nc3c2)ccc1-c1nn[n-]n1 ZINC000826368113 607888794 /nfs/dbraw/zinc/88/87/94/607888794.db2.gz CFGQDTSANYARRQ-UHFFFAOYSA-N -1 3 372.314 3.208 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C)c(F)c(C)c1 ZINC000823915328 608119449 /nfs/dbraw/zinc/11/94/49/608119449.db2.gz UYWWYVIAVBFRGF-UHFFFAOYSA-N -1 3 365.412 3.451 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C)c(F)c(C)c1 ZINC000823915328 608119450 /nfs/dbraw/zinc/11/94/50/608119450.db2.gz UYWWYVIAVBFRGF-UHFFFAOYSA-N -1 3 365.412 3.451 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccn1C(C)C ZINC000823915185 608119621 /nfs/dbraw/zinc/11/96/21/608119621.db2.gz TYBQNQXRNANEQK-UHFFFAOYSA-N -1 3 350.426 3.078 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccn1C(C)C ZINC000823915185 608119622 /nfs/dbraw/zinc/11/96/22/608119622.db2.gz TYBQNQXRNANEQK-UHFFFAOYSA-N -1 3 350.426 3.078 20 30 FGEDHM C=CCc1ccc(OCc2cc(-c3nnn[n-]3)ccc2OC)c(OC)c1 ZINC000823937445 608149500 /nfs/dbraw/zinc/14/95/00/608149500.db2.gz YCQTVJDCWQREQO-UHFFFAOYSA-N -1 3 352.394 3.191 20 30 FGEDHM C=CCc1ccc(OCc2cc(-c3nn[n-]n3)ccc2OC)c(OC)c1 ZINC000823937445 608149501 /nfs/dbraw/zinc/14/95/01/608149501.db2.gz YCQTVJDCWQREQO-UHFFFAOYSA-N -1 3 352.394 3.191 20 30 FGEDHM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c(-c2ccccc2)n1 ZINC000826360170 608213722 /nfs/dbraw/zinc/21/37/22/608213722.db2.gz ZNSJPDMHLYDSDE-VAWYXSNFSA-N -1 3 356.389 3.163 20 30 FGEDHM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c(-c2ccccc2)n1 ZINC000826360170 608213723 /nfs/dbraw/zinc/21/37/23/608213723.db2.gz ZNSJPDMHLYDSDE-VAWYXSNFSA-N -1 3 356.389 3.163 20 30 FGEDHM Cn1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c(-c2ccccc2)n1 ZINC000826360096 608213732 /nfs/dbraw/zinc/21/37/32/608213732.db2.gz XNEHRXGVLNWZBT-KHPPLWFESA-N -1 3 356.389 3.163 20 30 FGEDHM Cn1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(-c2ccccc2)n1 ZINC000826360096 608213734 /nfs/dbraw/zinc/21/37/34/608213734.db2.gz XNEHRXGVLNWZBT-KHPPLWFESA-N -1 3 356.389 3.163 20 30 FGEDHM CCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000825632141 608230203 /nfs/dbraw/zinc/23/02/03/608230203.db2.gz MLXXNMPENPXDFF-UITAMQMPSA-N -1 3 365.349 3.070 20 30 FGEDHM CCOc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000825632141 608230205 /nfs/dbraw/zinc/23/02/05/608230205.db2.gz MLXXNMPENPXDFF-UITAMQMPSA-N -1 3 365.349 3.070 20 30 FGEDHM N#CCC[C@@H](C#N)CNCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000826380846 608291936 /nfs/dbraw/zinc/29/19/36/608291936.db2.gz NYYWXLRSCVDYOD-INIZCTEOSA-N -1 3 357.421 3.067 20 30 FGEDHM Cc1cccc2c1[C@@H](C)C(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O ZINC000826305218 608319116 /nfs/dbraw/zinc/31/91/16/608319116.db2.gz ONCWRDHUGWZGIA-WIJRQFRKSA-N -1 3 356.389 3.206 20 30 FGEDHM Cc1cccc2c1[C@@H](C)C(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O ZINC000826305218 608319117 /nfs/dbraw/zinc/31/91/17/608319117.db2.gz ONCWRDHUGWZGIA-WIJRQFRKSA-N -1 3 356.389 3.206 20 30 FGEDHM CCN(C(=O)c1ccc(C#N)cc1C)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825380780 608345276 /nfs/dbraw/zinc/34/52/76/608345276.db2.gz SZNFRJXBDCISJC-UHFFFAOYSA-N -1 3 366.812 3.367 20 30 FGEDHM CCN(C(=O)c1ccc(C#N)cc1C)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825380780 608345277 /nfs/dbraw/zinc/34/52/77/608345277.db2.gz SZNFRJXBDCISJC-UHFFFAOYSA-N -1 3 366.812 3.367 20 30 FGEDHM Cc1ccc2c(c1)OCCCC2N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826294422 608534552 /nfs/dbraw/zinc/53/45/52/608534552.db2.gz QVKYWFCIYCZBCF-UHFFFAOYSA-N -1 3 369.816 3.212 20 30 FGEDHM Cc1ccc2c(c1)OCCCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826294422 608534554 /nfs/dbraw/zinc/53/45/54/608534554.db2.gz QVKYWFCIYCZBCF-UHFFFAOYSA-N -1 3 369.816 3.212 20 30 FGEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2ccccc2OCC2CC2)n1 ZINC000826350418 608537341 /nfs/dbraw/zinc/53/73/41/608537341.db2.gz VLVWIKNLNVNFTR-UHFFFAOYSA-N -1 3 369.816 3.150 20 30 FGEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2ccccc2OCC2CC2)n1 ZINC000826350418 608537343 /nfs/dbraw/zinc/53/73/43/608537343.db2.gz VLVWIKNLNVNFTR-UHFFFAOYSA-N -1 3 369.816 3.150 20 30 FGEDHM Cn1cc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c(-c2cccs2)n1 ZINC000826359250 608754527 /nfs/dbraw/zinc/75/45/27/608754527.db2.gz ASXRUZZNHKOQOG-FPLPWBNLSA-N -1 3 362.418 3.225 20 30 FGEDHM Cn1cc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(-c2cccs2)n1 ZINC000826359250 608754529 /nfs/dbraw/zinc/75/45/29/608754529.db2.gz ASXRUZZNHKOQOG-FPLPWBNLSA-N -1 3 362.418 3.225 20 30 FGEDHM C=CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000823931810 609271276 /nfs/dbraw/zinc/27/12/76/609271276.db2.gz FWYKZQTZIMRZOC-BJMVGYQFSA-N -1 3 350.353 3.467 20 30 FGEDHM C=CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000823931810 609271277 /nfs/dbraw/zinc/27/12/77/609271277.db2.gz FWYKZQTZIMRZOC-BJMVGYQFSA-N -1 3 350.353 3.467 20 30 FGEDHM CC(=NNCc1cnc2ccccc2c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953669 609276853 /nfs/dbraw/zinc/27/68/53/609276853.db2.gz LABRVHRNJYEWIT-UHFFFAOYSA-N -1 3 361.384 3.068 20 30 FGEDHM CC(=NNCc1cnc2ccccc2c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953669 609276855 /nfs/dbraw/zinc/27/68/55/609276855.db2.gz LABRVHRNJYEWIT-UHFFFAOYSA-N -1 3 361.384 3.068 20 30 FGEDHM Fc1cc(F)c(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1F ZINC000826372225 609474671 /nfs/dbraw/zinc/47/46/71/609474671.db2.gz NGOJYPSAJUXCCP-UHFFFAOYSA-N -1 3 352.707 3.383 20 30 FGEDHM Fc1cc(F)c(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1F ZINC000826372225 609474674 /nfs/dbraw/zinc/47/46/74/609474674.db2.gz NGOJYPSAJUXCCP-UHFFFAOYSA-N -1 3 352.707 3.383 20 30 FGEDHM CCOC(=O)Nc1ccc(NCC(C)(C)CCC#N)cc1-c1nnn[n-]1 ZINC000825553016 609490574 /nfs/dbraw/zinc/49/05/74/609490574.db2.gz HYWUYTIORBWEPN-UHFFFAOYSA-N -1 3 357.418 3.177 20 30 FGEDHM CCOC(=O)Nc1ccc(NCC(C)(C)CCC#N)cc1-c1nn[n-]n1 ZINC000825553016 609490576 /nfs/dbraw/zinc/49/05/76/609490576.db2.gz HYWUYTIORBWEPN-UHFFFAOYSA-N -1 3 357.418 3.177 20 30 FGEDHM C#CCCCCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000823841588 609522850 /nfs/dbraw/zinc/52/28/50/609522850.db2.gz PXNFRLHZTWLBMD-UHFFFAOYSA-N -1 3 353.470 3.435 20 30 FGEDHM C#CCCCCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000823841588 609522852 /nfs/dbraw/zinc/52/28/52/609522852.db2.gz PXNFRLHZTWLBMD-UHFFFAOYSA-N -1 3 353.470 3.435 20 30 FGEDHM N#Cc1cc(S(=O)(=O)[N-]c2cccnc2Br)ccc1Cl ZINC000121409225 700671968 /nfs/dbraw/zinc/67/19/68/700671968.db2.gz SOYGAIFWOVCHBR-UHFFFAOYSA-N -1 3 372.631 3.170 20 30 FGEDHM O=S1(=O)C[C@H](/N=C/c2cc(Br)ccc2[O-])c2ccccc21 ZINC000158259420 705179422 /nfs/dbraw/zinc/17/94/22/705179422.db2.gz AOOUWLUIVKVKPO-TVYFDWKESA-N -1 3 366.236 3.102 20 30 FGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(-n2cccn2)cc1C ZINC000190376514 712813243 /nfs/dbraw/zinc/81/32/43/712813243.db2.gz XEPNXLPXQWNOQY-UHFFFAOYSA-N -1 3 352.419 3.162 20 30 FGEDHM O=C(Cc1ccc([O-])c(F)c1)N1C[C@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000649025159 718467993 /nfs/dbraw/zinc/46/79/93/718467993.db2.gz IKKARXUJXCKRMN-DTORHVGOSA-N -1 3 359.241 3.273 20 30 FGEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1c(Cl)cccc1OC(F)F ZINC000732925307 722490484 /nfs/dbraw/zinc/49/04/84/722490484.db2.gz VVWOSRGUZQAJPI-UHFFFAOYSA-N -1 3 374.796 3.395 20 30 FGEDHM N#Cc1ccc(C(=O)COC(=O)c2cccc(Br)c2[O-])cc1 ZINC000748278135 722682890 /nfs/dbraw/zinc/68/28/90/722682890.db2.gz WYTLBIAEFMSHFZ-UHFFFAOYSA-N -1 3 360.163 3.066 20 30 FGEDHM CCOc1ccccc1C1N=NC(=S)N1N=Cc1ccc([O-])c(F)c1 ZINC000755599293 722954789 /nfs/dbraw/zinc/95/47/89/722954789.db2.gz PERKTMOVAYBQRL-UHFFFAOYSA-N -1 3 358.398 3.359 20 30 FGEDHM CCSc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)ccn1 ZINC000755605061 722954846 /nfs/dbraw/zinc/95/48/46/722954846.db2.gz YLRSJOVBLZNOEO-CYBMUJFWSA-N -1 3 355.419 3.163 20 30 FGEDHM COC(=O)c1cccc(COC(=O)c2cc(F)cc(Cl)c2[O-])c1C#N ZINC000756200498 722961679 /nfs/dbraw/zinc/96/16/79/722961679.db2.gz WDRLLOGVGDAKBN-UHFFFAOYSA-N -1 3 363.728 3.200 20 30 FGEDHM C#CCCCNC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000760839972 723097650 /nfs/dbraw/zinc/09/76/50/723097650.db2.gz SVQRTUCZJJQBEX-UHFFFAOYSA-N -1 3 367.630 3.087 20 30 FGEDHM CN1CCC(=N[N-]c2ncnc3scc(-c4ccc(F)cc4)c32)C1=O ZINC000761777261 723183196 /nfs/dbraw/zinc/18/31/96/723183196.db2.gz IFGUERQKNNGWSY-UHFFFAOYSA-N -1 3 355.398 3.127 20 30 FGEDHM COc1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000793127316 723402731 /nfs/dbraw/zinc/40/27/31/723402731.db2.gz WBWLVOFQEHKRRI-GFCCVEGCSA-N -1 3 364.188 3.358 20 30 FGEDHM CCS(=O)(=O)Nc1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1 ZINC000794942623 723552590 /nfs/dbraw/zinc/55/25/90/723552590.db2.gz PTPXDECBRXDHGW-CLFYSBASSA-N -1 3 367.373 3.328 20 30 FGEDHM CC(=NNC(=S)Nc1ccccn1)c1ccc(Br)cc1[O-] ZINC000767803479 723634983 /nfs/dbraw/zinc/63/49/83/723634983.db2.gz DZTYBOBFCZYEBZ-UHFFFAOYSA-N -1 3 365.256 3.260 20 30 FGEDHM O=S(=O)(CCc1ccccc1)[N-]N=C(Cc1ccccc1)C(F)F ZINC000769585362 723690149 /nfs/dbraw/zinc/69/01/49/723690149.db2.gz MFWORTXHGABRBA-UHFFFAOYSA-N -1 3 352.406 3.012 20 30 FGEDHM CC(C)Oc1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2)cc1Cl ZINC000770100736 723706048 /nfs/dbraw/zinc/70/60/48/723706048.db2.gz TVOPAJOUMZVZJA-CQSZACIVSA-N -1 3 357.797 3.483 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ncc(Cl)s1 ZINC000771956291 723746636 /nfs/dbraw/zinc/74/66/36/723746636.db2.gz DEHUIWVYFCSOCY-UHFFFAOYSA-N -1 3 351.815 3.062 20 30 FGEDHM C=CCC[C@@H](C)OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000772784395 723767927 /nfs/dbraw/zinc/76/79/27/723767927.db2.gz IZAMHRZDJASKQA-CQSZACIVSA-N -1 3 355.456 3.113 20 30 FGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])C=CSc1cc(F)ccc1F ZINC000797942679 723888617 /nfs/dbraw/zinc/88/86/17/723888617.db2.gz VYLSPZHTBCMGNV-VFFGBVLKSA-N -1 3 359.357 3.313 20 30 FGEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Br)C(C)C ZINC000798471628 723935351 /nfs/dbraw/zinc/93/53/51/723935351.db2.gz AVAIASBVJYKDFH-LLVKDONJSA-N -1 3 350.665 3.039 20 30 FGEDHM N#Cc1cccc(-c2nnc(COC(=O)c3cccc(Cl)c3[O-])o2)c1 ZINC000775933909 724085617 /nfs/dbraw/zinc/08/56/17/724085617.db2.gz KPKSJNAUQSGTPJ-UHFFFAOYSA-N -1 3 355.737 3.324 20 30 FGEDHM COC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccc(Cl)cc1 ZINC000785309915 724906225 /nfs/dbraw/zinc/90/62/25/724906225.db2.gz PNDGVNKWUCLDAI-OAHLLOKOSA-N -1 3 368.817 3.017 20 30 FGEDHM N#Cc1cccc(CNC(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)c1 ZINC000811394641 725361489 /nfs/dbraw/zinc/36/14/89/725361489.db2.gz WTXQQRWLDFWKHU-UHFFFAOYSA-N -1 3 373.821 3.228 20 30 FGEDHM N#Cc1c(Cl)cccc1SCC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826383208 729407629 /nfs/dbraw/zinc/40/76/29/729407629.db2.gz PBFIFERXOFINJR-UHFFFAOYSA-N -1 3 355.810 3.367 20 30 FGEDHM N#Cc1c(Cl)cccc1SCC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826383208 729407630 /nfs/dbraw/zinc/40/76/30/729407630.db2.gz PBFIFERXOFINJR-UHFFFAOYSA-N -1 3 355.810 3.367 20 30 FGEDHM O=C(C=Cc1cc(Cl)cc2c1OCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000826399864 729407814 /nfs/dbraw/zinc/40/78/14/729407814.db2.gz INJPBWCCWHIIRC-PLNGDYQASA-N -1 3 352.781 3.351 20 30 FGEDHM O=C(C=Cc1cc(Cl)cc2c1OCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000826399864 729407817 /nfs/dbraw/zinc/40/78/17/729407817.db2.gz INJPBWCCWHIIRC-PLNGDYQASA-N -1 3 352.781 3.351 20 30 FGEDHM CCOC(=O)C(C)(C)ON=Cc1cc(Br)c([O-])c(OCC)c1 ZINC000835003867 729849205 /nfs/dbraw/zinc/84/92/05/729849205.db2.gz FWSABKYUVZEHQS-UHFFFAOYSA-N -1 3 374.231 3.246 20 30 FGEDHM C[C@H](C(=O)OC(C)(C)C)C(=O)C(C#N)=C([O-])c1cc2c(s1)CCCC2 ZINC000845832573 730900956 /nfs/dbraw/zinc/90/09/56/730900956.db2.gz FCNCTSSBEKHZIT-AAEUAGOBSA-N -1 3 361.463 3.496 20 30 FGEDHM C=C(C)CO[N-]C(=O)CCc1nc(-c2cc(Br)cs2)no1 ZINC000846539964 730962108 /nfs/dbraw/zinc/96/21/08/730962108.db2.gz QNXVCLPEFXECON-UHFFFAOYSA-N -1 3 372.244 3.117 20 30 FGEDHM C[C@@H]1CCn2cc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)nc2C1 ZINC000870138008 733815527 /nfs/dbraw/zinc/81/55/27/733815527.db2.gz ABYHWSHTKSYNDF-VXGBXAGGSA-N -1 3 356.813 3.080 20 30 FGEDHM CSC1(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CCCCC1 ZINC000894567913 742300152 /nfs/dbraw/zinc/30/01/52/742300152.db2.gz YELBLLKVBDSXGB-UHFFFAOYSA-N -1 3 361.511 3.390 20 30 FGEDHM C[C@H](NC(=O)c1ccco1)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900095641 743063927 /nfs/dbraw/zinc/06/39/27/743063927.db2.gz HTAZDXIUZICZRJ-VIFPVBQESA-N -1 3 357.193 3.123 20 30 FGEDHM CCCCCS(=O)(=O)CC(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379024 743262909 /nfs/dbraw/zinc/26/29/09/743262909.db2.gz UGYUDTLOQWAUJM-UHFFFAOYSA-N -1 3 368.282 3.316 20 30 FGEDHM C=CCOc1ccc(CN2CCC[C@@](COC)(C(=O)[O-])C2)cc1Cl ZINC000901866728 743662984 /nfs/dbraw/zinc/66/29/84/743662984.db2.gz WCPFXBGGJAZRER-GOSISDBHSA-N -1 3 353.846 3.218 20 30 FGEDHM COc1cc(C=NNC(=S)N[C@H]2CCCC[C@@H]2C)cc(Cl)c1[O-] ZINC000916276136 758061067 /nfs/dbraw/zinc/06/10/67/758061067.db2.gz MLAPGAGXBCFMJF-GWCFXTLKSA-N -1 3 355.891 3.431 20 30 FGEDHM COc1cc(C=NNC(=S)NCCC(C)C)cc(Br)c1[O-] ZINC000916352346 758073260 /nfs/dbraw/zinc/07/32/60/758073260.db2.gz NDPBKHNVRYBEAA-UHFFFAOYSA-N -1 3 374.304 3.007 20 30 FGEDHM C=CCOC(=O)c1cc(S(=O)(=O)[N-]CC(C)C)c(Cl)cc1Cl ZINC000916592231 758103654 /nfs/dbraw/zinc/10/36/54/758103654.db2.gz RJTAUMHTTKCRKB-UHFFFAOYSA-N -1 3 366.266 3.271 20 30 FGEDHM COc1ccccc1-c1nc(NC(=O)Cc2ccc3c(c2)OCO3)n[n-]1 ZINC000050171022 493905154 /nfs/dbraw/zinc/90/51/54/493905154.db2.gz CGLRCYQDGVIIDC-UHFFFAOYSA-N -1 3 352.350 3.040 20 30 FGEDHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C#N)cc2C)c(Cl)c1 ZINC000076937255 493992048 /nfs/dbraw/zinc/99/20/48/493992048.db2.gz ZOFPCFSACHLLFX-UHFFFAOYSA-N -1 3 363.826 3.279 20 30 FGEDHM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000053527178 494142707 /nfs/dbraw/zinc/14/27/07/494142707.db2.gz CWDKWANVBWUILB-BXUZGUMPSA-N -1 3 362.393 3.098 20 30 FGEDHM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000053527178 494142711 /nfs/dbraw/zinc/14/27/11/494142711.db2.gz CWDKWANVBWUILB-BXUZGUMPSA-N -1 3 362.393 3.098 20 30 FGEDHM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000053527178 494142717 /nfs/dbraw/zinc/14/27/17/494142717.db2.gz CWDKWANVBWUILB-BXUZGUMPSA-N -1 3 362.393 3.098 20 30 FGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1c(F)cccc1N1CCCC1 ZINC000077966316 494207174 /nfs/dbraw/zinc/20/71/74/494207174.db2.gz UTEGTPBRCWTYAF-UHFFFAOYSA-N -1 3 359.426 3.407 20 30 FGEDHM Cc1sc([N-]C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)c(C#N)c1C ZINC000066269859 494299500 /nfs/dbraw/zinc/29/95/00/494299500.db2.gz OVMHFRSQXYPNPO-UHFFFAOYSA-N -1 3 359.363 3.168 20 30 FGEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3ccccc3n2C)n1 ZINC000067897329 494685333 /nfs/dbraw/zinc/68/53/33/494685333.db2.gz QYWUNHLJXJDODY-GFCCVEGCSA-N -1 3 353.403 3.302 20 30 FGEDHM Cc1ccc(I)cc1C([O-])=C(C#N)c1ccccn1 ZINC000121507377 494784802 /nfs/dbraw/zinc/78/48/02/494784802.db2.gz MSWHUKBSIRBGTJ-ZDUSSCGKSA-N -1 3 362.170 3.485 20 30 FGEDHM CC(C)(C)OC(=O)N1CCC(C(=O)Nc2nnc(C(F)(F)F)[n-]2)CC1 ZINC000075536162 494788579 /nfs/dbraw/zinc/78/85/79/494788579.db2.gz AANKVGBGWXPPPE-UHFFFAOYSA-N -1 3 363.340 3.059 20 30 FGEDHM CC(C)(C)OC(=O)N1CCC(C(=O)Nc2nc(C(F)(F)F)n[n-]2)CC1 ZINC000075536162 494788582 /nfs/dbraw/zinc/78/85/82/494788582.db2.gz AANKVGBGWXPPPE-UHFFFAOYSA-N -1 3 363.340 3.059 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(CCCc2ccccc2)no1 ZINC000109575063 494892249 /nfs/dbraw/zinc/89/22/49/494892249.db2.gz OWZQVUJXTARIRG-UHFFFAOYSA-N -1 3 362.433 3.207 20 30 FGEDHM CC[C@](C)([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1nc(C)cs1 ZINC000122138126 494929721 /nfs/dbraw/zinc/92/97/21/494929721.db2.gz HMDLIOBCCNVMMY-HNNXBMFYSA-N -1 3 353.444 3.066 20 30 FGEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1ccc(OCC(F)(F)F)nc1 ZINC000122159501 494933220 /nfs/dbraw/zinc/93/32/20/494933220.db2.gz YXCHWAPEDHSFQM-LBPRGKRZSA-N -1 3 374.322 3.399 20 30 FGEDHM 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PQMLKCONWGNLQS-UHFFFAOYSA-N -1 3 353.259 3.465 20 30 FGEDHM Cc1cc(=O)[n-]c(-c2ccc(NC(=O)C3(c4cccc(C#N)c4)CC3)cc2)n1 ZINC000435067314 500930435 /nfs/dbraw/zinc/93/04/35/500930435.db2.gz YELYTGQZAMQJEV-UHFFFAOYSA-N -1 3 370.412 3.287 20 30 FGEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000435600943 501000057 /nfs/dbraw/zinc/00/00/57/501000057.db2.gz HNYXAVIKUYJTIG-IINYFYTJSA-N -1 3 350.267 3.253 20 30 FGEDHM CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000445702572 501021661 /nfs/dbraw/zinc/02/16/61/501021661.db2.gz PNMXBHBFVUNBQB-LLVKDONJSA-N -1 3 354.781 3.467 20 30 FGEDHM CC(C)(C)C(=O)Nc1ccc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cn1 ZINC000453597824 501357604 /nfs/dbraw/zinc/35/76/04/501357604.db2.gz ZVRHACBWVUUIHG-CYBMUJFWSA-N -1 3 361.405 3.433 20 30 FGEDHM Cn1[n-]c(=NC(=O)N[C@@H](CCCC#N)c2ccccc2)cc1OC(F)F ZINC000455211138 501708349 /nfs/dbraw/zinc/70/83/49/501708349.db2.gz PBWWYFSWPYQTMS-ZDUSSCGKSA-N -1 3 363.368 3.000 20 30 FGEDHM Cc1nn(CC(F)(F)F)cc1C([O-])=C(C#N)c1nc2c(cccc2C)[nH]1 ZINC000477678061 501756364 /nfs/dbraw/zinc/75/63/64/501756364.db2.gz FRGDIELONBZPFG-LLVKDONJSA-N -1 3 361.327 3.429 20 30 FGEDHM N#Cc1cc([O-])cc(C(=O)Nc2nc3ccc(Br)cc3[nH]2)c1 ZINC000589187765 506476095 /nfs/dbraw/zinc/47/60/95/506476095.db2.gz ROYYIGADUVQEJA-UHFFFAOYSA-N -1 3 357.167 3.155 20 30 FGEDHM C=CCCCCNC(=O)Cc1csc(NC(=O)c2cccc([O-])c2)n1 ZINC000474669406 501915203 /nfs/dbraw/zinc/91/52/03/501915203.db2.gz AOJSLKSKERILIT-UHFFFAOYSA-N -1 3 359.451 3.116 20 30 FGEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)CCc1ccccc1Br ZINC000461105980 502014332 /nfs/dbraw/zinc/01/43/32/502014332.db2.gz FALZSEFLPJKUJR-HNNXBMFYSA-N -1 3 373.316 3.239 20 30 FGEDHM C[C@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475549938 502210573 /nfs/dbraw/zinc/21/05/73/502210573.db2.gz RNUIPBVPIKELHR-WFASDCNBSA-N -1 3 356.875 3.085 20 30 FGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccccc2Cl)c1 ZINC000475577490 502217664 /nfs/dbraw/zinc/21/76/64/502217664.db2.gz YRPSUXYARYNMSY-UHFFFAOYSA-N -1 3 355.246 3.386 20 30 FGEDHM C=CCCCN(C)C(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000472163328 502254558 /nfs/dbraw/zinc/25/45/58/502254558.db2.gz TUHUDLSNKPVMPV-UHFFFAOYSA-N -1 3 364.389 3.115 20 30 FGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(c3cccc(F)c3)CC2)c1 ZINC000475791697 502293304 /nfs/dbraw/zinc/29/33/04/502293304.db2.gz AACAZFYYYMKIDZ-UHFFFAOYSA-N -1 3 364.829 3.361 20 30 FGEDHM COc1c2cnn(C)c2ncc1C([O-])=C(C#N)c1nccc2ccccc21 ZINC000483241625 502324484 /nfs/dbraw/zinc/32/44/84/502324484.db2.gz JOSDMDNVBDIQRQ-CQSZACIVSA-N -1 3 357.373 3.015 20 30 FGEDHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C12CCCC2 ZINC000476331112 502458588 /nfs/dbraw/zinc/45/85/88/502458588.db2.gz HWXATHOZEJSEMG-HOTGVXAUSA-N -1 3 368.886 3.228 20 30 FGEDHM COCCOc1ccc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(Cl)c1 ZINC000473489503 502608417 /nfs/dbraw/zinc/60/84/17/502608417.db2.gz KNIDFQHANFTRNY-OAHLLOKOSA-N -1 3 359.813 3.262 20 30 FGEDHM C[C@H]1CCC[C@](C#N)(NC(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000477371257 502756669 /nfs/dbraw/zinc/75/66/69/502756669.db2.gz GRJJDKFJJMQTHD-ZBEGNZNMSA-N -1 3 351.244 3.286 20 30 FGEDHM CCSc1cccc(Br)c1[N-]C(=O)c1cnn(C)c1C#N ZINC000484877907 502763453 /nfs/dbraw/zinc/76/34/53/502763453.db2.gz SVCOBUFSELNSAE-UHFFFAOYSA-N -1 3 365.256 3.419 20 30 FGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCCc1ccccc1F ZINC000481253088 502797808 /nfs/dbraw/zinc/79/78/08/502797808.db2.gz DQWGYNWIUSIDIO-UHFFFAOYSA-N -1 3 352.818 3.262 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccccc2C(F)(F)F)cc1F ZINC000489180741 502895045 /nfs/dbraw/zinc/89/50/45/502895045.db2.gz GUXQEHJPDAFVDV-UHFFFAOYSA-N -1 3 358.316 3.195 20 30 FGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1nc(C(C)(C)C)cs1 ZINC000489185788 502897130 /nfs/dbraw/zinc/89/71/30/502897130.db2.gz QUZIZZOAMZGMIS-SNVBAGLBSA-N -1 3 367.471 3.491 20 30 FGEDHM C=CCC(C)(C)CNC(=O)c1cc(NC(=O)c2cnoc2C)ccc1[O-] ZINC000490083484 503105974 /nfs/dbraw/zinc/10/59/74/503105974.db2.gz AHVJPSRHSNPXGV-UHFFFAOYSA-N -1 3 357.410 3.273 20 30 FGEDHM O=S(=O)([N-]CC1(C(F)(F)F)CC1)c1ccc(C(F)(F)F)c(F)c1 ZINC000510505707 503127758 /nfs/dbraw/zinc/12/77/58/503127758.db2.gz IYUDRQRENIQONI-UHFFFAOYSA-N -1 3 365.270 3.465 20 30 FGEDHM N#C[C@@H](NC(=O)c1cc(F)cc2nn[n-]c21)c1c(Cl)cccc1Cl ZINC000503358232 503394093 /nfs/dbraw/zinc/39/40/93/503394093.db2.gz XSQYFPDZQNUEHA-GFCCVEGCSA-N -1 3 364.167 3.398 20 30 FGEDHM N#C[C@@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1c(Cl)cccc1Cl ZINC000503358232 503394097 /nfs/dbraw/zinc/39/40/97/503394097.db2.gz XSQYFPDZQNUEHA-GFCCVEGCSA-N -1 3 364.167 3.398 20 30 FGEDHM N#C[C@@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1c(Cl)cccc1Cl ZINC000503358232 503394101 /nfs/dbraw/zinc/39/41/01/503394101.db2.gz XSQYFPDZQNUEHA-GFCCVEGCSA-N -1 3 364.167 3.398 20 30 FGEDHM C[C@@H]1CCCC[C@@H]1OCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503436395 503408507 /nfs/dbraw/zinc/40/85/07/503408507.db2.gz PGZZJVCZVBXQJM-DOMZBBRYSA-N -1 3 356.875 3.085 20 30 FGEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(F)cc1 ZINC000503448357 503412374 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CC(C)S(=O)(=O)c1ccccc1[N-]C(=O)c1c(F)cc(C#N)cc1F ZINC000531270331 504248400 /nfs/dbraw/zinc/24/84/00/504248400.db2.gz WJYOCNPXTPUUIF-UHFFFAOYSA-N -1 3 364.373 3.271 20 30 FGEDHM CN(CC(C)(C)C)C(=O)c1cccc(C([O-])=C(C#N)c2ccncn2)c1 ZINC000544815057 504267526 /nfs/dbraw/zinc/26/75/26/504267526.db2.gz UQLHNZXZGONNRW-MRXNPFEDSA-N -1 3 350.422 3.085 20 30 FGEDHM N#CC(=C([O-])c1cccc(COc2ccccc2C#N)c1)c1ccncn1 ZINC000544815878 504269135 /nfs/dbraw/zinc/26/91/35/504269135.db2.gz GDNXUBWRQUSRDA-SFHVURJKSA-N -1 3 354.369 3.417 20 30 FGEDHM C[C@H]1CCc2ccccc2[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000538695544 504329806 /nfs/dbraw/zinc/32/98/06/504329806.db2.gz WDLYYVCTEWDQPR-SGTLLEGYSA-N -1 3 371.418 3.068 20 30 FGEDHM COCCOc1ncccc1C([O-])=C(C#N)c1ccc(C(F)(F)F)cn1 ZINC000538769734 504363624 /nfs/dbraw/zinc/36/36/24/504363624.db2.gz OIMODWNAYTZHQP-ZDUSSCGKSA-N -1 3 365.311 3.011 20 30 FGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3cccc(OCC(F)F)n3)nc21 ZINC000535554736 504468479 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C=CCC(C)(C)c1noc(-c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)n1 ZINC000551139880 505164836 /nfs/dbraw/zinc/16/48/36/505164836.db2.gz JOFVHOYXTIDUEL-UHFFFAOYSA-N -1 3 367.446 3.416 20 30 FGEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1cn(C2CCOCC2)nn1 ZINC000566888529 505301984 /nfs/dbraw/zinc/30/19/84/505301984.db2.gz QKBQMHGEZKSQGB-ZDUSSCGKSA-N -1 3 371.466 3.134 20 30 FGEDHM N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cc([O-])ccc2Cl)CC1 ZINC000564382673 505401199 /nfs/dbraw/zinc/40/11/99/505401199.db2.gz ZXSDXQNDGJSPIU-SFHVURJKSA-N -1 3 355.825 3.068 20 30 FGEDHM C=C[C@@H](CC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C)c1)c1ccccc1 ZINC000552602455 505520622 /nfs/dbraw/zinc/52/06/22/505520622.db2.gz BCKWSLLZJMYKEZ-ZDUSSCGKSA-N -1 3 362.426 3.032 20 30 FGEDHM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)nc1 ZINC000599410333 506443780 /nfs/dbraw/zinc/44/37/80/506443780.db2.gz IDAYZORRJYKECP-UHFFFAOYSA-N -1 3 363.870 3.171 20 30 FGEDHM CN(CCC1CCN(c2ccncc2)CC1)C(=O)c1cc([O-])cc(C#N)c1 ZINC000589197108 506479152 /nfs/dbraw/zinc/47/91/52/506479152.db2.gz BEXXVPOAZJSLIC-UHFFFAOYSA-N -1 3 364.449 3.038 20 30 FGEDHM CC(C)(CO)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1cccs1 ZINC000589235754 506493134 /nfs/dbraw/zinc/49/31/34/506493134.db2.gz OVFJORCUIUUDGK-HNNXBMFYSA-N -1 3 370.540 3.201 20 30 FGEDHM C[C@@]1(C#N)CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000612367135 506546394 /nfs/dbraw/zinc/54/63/94/506546394.db2.gz BJQKEGGVOOFMQO-KRWDZBQOSA-N -1 3 374.238 3.056 20 30 FGEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000589587388 506592390 /nfs/dbraw/zinc/59/23/90/506592390.db2.gz JZHCUYWKIJZPIW-SECBINFHSA-N -1 3 365.680 3.319 20 30 FGEDHM CN(C)Cc1ccc([N-]S(=O)(=O)c2cccc(CC#N)c2)cc1Cl ZINC000589592802 506594246 /nfs/dbraw/zinc/59/42/46/506594246.db2.gz NJAAQGYGHOOTLU-UHFFFAOYSA-N -1 3 363.870 3.268 20 30 FGEDHM Cc1ccc([C@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593559756 506683560 /nfs/dbraw/zinc/68/35/60/506683560.db2.gz YVKWSVYZSRJINY-WMLDXEAASA-N -1 3 362.476 3.127 20 30 FGEDHM CC[C@@H](OCC[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000593626589 506708037 /nfs/dbraw/zinc/70/80/37/506708037.db2.gz AZWVRYVZRUEJDJ-OAHLLOKOSA-N -1 3 350.465 3.066 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C(C)(C)c1cnn(C)c1 ZINC000594760059 507269865 /nfs/dbraw/zinc/26/98/65/507269865.db2.gz RNMPLYVGOJFVGD-UHFFFAOYSA-N -1 3 374.491 3.029 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)[C@H]1CCCOC1 ZINC000594771683 507275372 /nfs/dbraw/zinc/27/53/72/507275372.db2.gz LTSWVEMSDUJDJI-JSGCOSHPSA-N -1 3 364.492 3.175 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CSC[C@@H]1C ZINC000594777344 507276663 /nfs/dbraw/zinc/27/66/63/507276663.db2.gz BZCALSVYKAGDIK-TVQRCGJNSA-N -1 3 352.506 3.111 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CSC[C@H]1C ZINC000594777343 507277191 /nfs/dbraw/zinc/27/71/91/507277191.db2.gz BZCALSVYKAGDIK-RNCFNFMXSA-N -1 3 352.506 3.111 20 30 FGEDHM CCc1ncc(C[N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)o1 ZINC000594780678 507278318 /nfs/dbraw/zinc/27/83/18/507278318.db2.gz VMAOPDDZZHCIPU-UHFFFAOYSA-N -1 3 361.448 3.110 20 30 FGEDHM CO[C@H](C[N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1Cl ZINC000613934785 507306602 /nfs/dbraw/zinc/30/66/02/507306602.db2.gz KFHDPYSBDLQHCV-MRXNPFEDSA-N -1 3 370.902 3.421 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000598305906 507368962 /nfs/dbraw/zinc/36/89/62/507368962.db2.gz LHCMFQGQGRKNBU-QFBILLFUSA-N -1 3 371.481 3.016 20 30 FGEDHM COc1ccc2c(c1)N(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CCC2 ZINC000598365830 507394215 /nfs/dbraw/zinc/39/42/15/507394215.db2.gz ZJAHIPNWHNQNNI-UHFFFAOYSA-N -1 3 365.433 3.196 20 30 FGEDHM CCN=c1[n-]c(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)cs1 ZINC000610878694 507428084 /nfs/dbraw/zinc/42/80/84/507428084.db2.gz WNKBQKXQHHQVKZ-UHFFFAOYSA-N -1 3 365.418 3.308 20 30 FGEDHM CC([N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)(C1CC1)C1CC1 ZINC000595365075 507472277 /nfs/dbraw/zinc/47/22/77/507472277.db2.gz VOXUOIVTNJTDPV-UHFFFAOYSA-N -1 3 358.385 3.434 20 30 FGEDHM C[C@H](C#N)CN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000611087110 507510784 /nfs/dbraw/zinc/51/07/84/507510784.db2.gz XTVXERFLFZZUCT-SNVBAGLBSA-N -1 3 374.238 3.055 20 30 FGEDHM Cc1cnc2nc(C(=O)[N-]c3sc4c(c3C#N)[C@@H](C)[C@H](C)CC4)nn2c1 ZINC000598837413 507629423 /nfs/dbraw/zinc/62/94/23/507629423.db2.gz DLVSTLZPJKVHEN-MNOVXSKESA-N -1 3 366.450 3.304 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCSCCCC ZINC000735418516 598831936 /nfs/dbraw/zinc/83/19/36/598831936.db2.gz GHMFOIGNALYGST-UHFFFAOYSA-N -1 3 359.499 3.305 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCSCCCC ZINC000735418516 598831938 /nfs/dbraw/zinc/83/19/38/598831938.db2.gz GHMFOIGNALYGST-UHFFFAOYSA-N -1 3 359.499 3.305 20 30 FGEDHM C=CCCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000735409370 598855397 /nfs/dbraw/zinc/85/53/97/598855397.db2.gz DLFQRIVHXQDDGM-ZDUSSCGKSA-N -1 3 350.407 3.133 20 30 FGEDHM C=CCCC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000735409370 598855399 /nfs/dbraw/zinc/85/53/99/598855399.db2.gz DLFQRIVHXQDDGM-ZDUSSCGKSA-N -1 3 350.407 3.133 20 30 FGEDHM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737215276 598920220 /nfs/dbraw/zinc/92/02/20/598920220.db2.gz ZGVFYKBYLVVHAL-UHFFFAOYSA-N -1 3 362.324 3.184 20 30 FGEDHM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737215276 598920222 /nfs/dbraw/zinc/92/02/22/598920222.db2.gz ZGVFYKBYLVVHAL-UHFFFAOYSA-N -1 3 362.324 3.184 20 30 FGEDHM C[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(F)cc1 ZINC000735976951 598921924 /nfs/dbraw/zinc/92/19/24/598921924.db2.gz QWLKLMAPTPHFEQ-NSHDSACASA-N -1 3 350.357 3.010 20 30 FGEDHM C[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(F)cc1 ZINC000735976951 598921926 /nfs/dbraw/zinc/92/19/26/598921926.db2.gz QWLKLMAPTPHFEQ-NSHDSACASA-N -1 3 350.357 3.010 20 30 FGEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cccc(C(F)(F)F)c1 ZINC000819773117 607253570 /nfs/dbraw/zinc/25/35/70/607253570.db2.gz OHMBMRZMJDNQJV-UHFFFAOYSA-N -1 3 360.343 3.399 20 30 FGEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1 ZINC000819773117 607253571 /nfs/dbraw/zinc/25/35/71/607253571.db2.gz OHMBMRZMJDNQJV-UHFFFAOYSA-N -1 3 360.343 3.399 20 30 FGEDHM C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736139130 599044121 /nfs/dbraw/zinc/04/41/21/599044121.db2.gz TWNCKZXVRUAOIY-SECBINFHSA-N -1 3 359.315 3.325 20 30 FGEDHM C[C@@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736139130 599044125 /nfs/dbraw/zinc/04/41/25/599044125.db2.gz TWNCKZXVRUAOIY-SECBINFHSA-N -1 3 359.315 3.325 20 30 FGEDHM O=C1C(=Cc2c[nH]c(-c3ccccc3)n2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823497928 599113962 /nfs/dbraw/zinc/11/39/62/599113962.db2.gz BCUPZYKPOJEHNX-PTNGSMBKSA-N -1 3 368.400 3.469 20 30 FGEDHM O=C1C(=Cc2c[nH]c(-c3ccccc3)n2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823497928 599113963 /nfs/dbraw/zinc/11/39/63/599113963.db2.gz BCUPZYKPOJEHNX-PTNGSMBKSA-N -1 3 368.400 3.469 20 30 FGEDHM Cc1cccn2c(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)cnc12 ZINC000822367028 599114122 /nfs/dbraw/zinc/11/41/22/599114122.db2.gz ZDWHKJCPHOFEKT-UVTDQMKNSA-N -1 3 356.389 3.035 20 30 FGEDHM Cc1cccn2c(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)cnc12 ZINC000822367028 599114124 /nfs/dbraw/zinc/11/41/24/599114124.db2.gz ZDWHKJCPHOFEKT-UVTDQMKNSA-N -1 3 356.389 3.035 20 30 FGEDHM O=C1C(=Cc2cccc3c2OCCCO3)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503537 599114493 /nfs/dbraw/zinc/11/44/93/599114493.db2.gz GOBJDRGGNNVAJH-OWBHPGMISA-N -1 3 374.400 3.241 20 30 FGEDHM O=C1C(=Cc2cccc3c2OCCCO3)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503537 599114495 /nfs/dbraw/zinc/11/44/95/599114495.db2.gz GOBJDRGGNNVAJH-OWBHPGMISA-N -1 3 374.400 3.241 20 30 FGEDHM COc1ccc(C=C2Cc3c(cccc3Cl)C2=O)cc1-c1nnn[n-]1 ZINC000737083078 599155802 /nfs/dbraw/zinc/15/58/02/599155802.db2.gz MZGVDQWQRNYIBO-XFFZJAGNSA-N -1 3 352.781 3.351 20 30 FGEDHM COc1ccc(C=C2Cc3c(cccc3Cl)C2=O)cc1-c1nn[n-]n1 ZINC000737083078 599155806 /nfs/dbraw/zinc/15/58/06/599155806.db2.gz MZGVDQWQRNYIBO-XFFZJAGNSA-N -1 3 352.781 3.351 20 30 FGEDHM N#Cc1cc(NC(=O)CCc2cc(Cl)cs2)ccc1-c1nnn[n-]1 ZINC000737703799 599192027 /nfs/dbraw/zinc/19/20/27/599192027.db2.gz FSFONHARWCASQK-UHFFFAOYSA-N -1 3 358.814 3.025 20 30 FGEDHM N#Cc1cc(NC(=O)CCc2cc(Cl)cs2)ccc1-c1nn[n-]n1 ZINC000737703799 599192029 /nfs/dbraw/zinc/19/20/29/599192029.db2.gz FSFONHARWCASQK-UHFFFAOYSA-N -1 3 358.814 3.025 20 30 FGEDHM C=CC[C@@H](C)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735409701 599203231 /nfs/dbraw/zinc/20/32/31/599203231.db2.gz IWPQLOCCBNBFSI-CQSZACIVSA-N -1 3 363.421 3.140 20 30 FGEDHM C=CC[C@@H](C)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735409701 599203234 /nfs/dbraw/zinc/20/32/34/599203234.db2.gz IWPQLOCCBNBFSI-CQSZACIVSA-N -1 3 363.421 3.140 20 30 FGEDHM C=CCN(C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(C)C ZINC000819740137 599286026 /nfs/dbraw/zinc/28/60/26/599286026.db2.gz QRLLHTGOLKDDIG-UHFFFAOYSA-N -1 3 354.336 3.314 20 30 FGEDHM C=CCN(C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(C)C ZINC000819740137 599286027 /nfs/dbraw/zinc/28/60/27/599286027.db2.gz QRLLHTGOLKDDIG-UHFFFAOYSA-N -1 3 354.336 3.314 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1csc(C(C)C)n1 ZINC000735420730 598327071 /nfs/dbraw/zinc/32/70/71/598327071.db2.gz RHXSDGJFDIKBJW-UHFFFAOYSA-N -1 3 368.466 3.275 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1csc(C(C)C)n1 ZINC000735420730 598327072 /nfs/dbraw/zinc/32/70/72/598327072.db2.gz RHXSDGJFDIKBJW-UHFFFAOYSA-N -1 3 368.466 3.275 20 30 FGEDHM COc1ccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c(Cl)c1OC ZINC000737081251 598417778 /nfs/dbraw/zinc/41/77/78/598417778.db2.gz MAHAKXVZAOGMSJ-VURMDHGXSA-N -1 3 370.796 3.433 20 30 FGEDHM COc1ccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c(Cl)c1OC ZINC000737081251 598417779 /nfs/dbraw/zinc/41/77/79/598417779.db2.gz MAHAKXVZAOGMSJ-VURMDHGXSA-N -1 3 370.796 3.433 20 30 FGEDHM C=C(C)CN(CC)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735397726 598538495 /nfs/dbraw/zinc/53/84/95/598538495.db2.gz CWHKECLLJZVKRI-UHFFFAOYSA-N -1 3 367.409 3.077 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(F)cc2C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737263169 598639438 /nfs/dbraw/zinc/63/94/38/598639438.db2.gz LZXSYQWSVFYWBM-SOFGYWHQSA-N -1 3 351.385 3.266 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(F)cc2C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737263169 598639442 /nfs/dbraw/zinc/63/94/42/598639442.db2.gz LZXSYQWSVFYWBM-SOFGYWHQSA-N -1 3 351.385 3.266 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(F)c(C)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737261084 598640814 /nfs/dbraw/zinc/64/08/14/598640814.db2.gz ASGNFCZFMBJFDI-SOFGYWHQSA-N -1 3 351.385 3.266 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(F)c(C)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737261084 598640816 /nfs/dbraw/zinc/64/08/16/598640816.db2.gz ASGNFCZFMBJFDI-SOFGYWHQSA-N -1 3 351.385 3.266 20 30 FGEDHM CCC[C@@H](C#N)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736414911 598668739 /nfs/dbraw/zinc/66/87/39/598668739.db2.gz AKNSBHNSVLKKJX-HNNXBMFYSA-N -1 3 362.393 3.081 20 30 FGEDHM CCC[C@@H](C#N)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736414911 598668740 /nfs/dbraw/zinc/66/87/40/598668740.db2.gz AKNSBHNSVLKKJX-HNNXBMFYSA-N -1 3 362.393 3.081 20 30 FGEDHM N#Cc1cc(F)ccc1CSCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737703137 598695664 /nfs/dbraw/zinc/69/56/64/598695664.db2.gz AMTUUWRZXZMEMI-UHFFFAOYSA-N -1 3 355.398 3.190 20 30 FGEDHM COc1ccc(OC(F)F)c(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737108356 598788817 /nfs/dbraw/zinc/78/88/17/598788817.db2.gz KWNQMVSSYNKERH-FNORWQNLSA-N -1 3 372.331 3.373 20 30 FGEDHM COc1ccc(OC(F)F)c(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737108356 598788820 /nfs/dbraw/zinc/78/88/20/598788820.db2.gz KWNQMVSSYNKERH-FNORWQNLSA-N -1 3 372.331 3.373 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](CC)OC1CCCC1 ZINC000735419505 598802954 /nfs/dbraw/zinc/80/29/54/598802954.db2.gz TZKYYRKVZSUAEU-SFHVURJKSA-N -1 3 369.469 3.119 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](CC)OC1CCCC1 ZINC000735419505 598802956 /nfs/dbraw/zinc/80/29/56/598802956.db2.gz TZKYYRKVZSUAEU-SFHVURJKSA-N -1 3 369.469 3.119 20 30 FGEDHM C=CCOCC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000735437021 598818292 /nfs/dbraw/zinc/81/82/92/598818292.db2.gz CUCMXOUNUGNFNU-UHFFFAOYSA-N -1 3 365.393 3.109 20 30 FGEDHM C=CCOCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000735437021 598818294 /nfs/dbraw/zinc/81/82/94/598818294.db2.gz CUCMXOUNUGNFNU-UHFFFAOYSA-N -1 3 365.393 3.109 20 30 FGEDHM Fc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)c(C(F)(F)F)c1 ZINC000822766700 607370084 /nfs/dbraw/zinc/37/00/84/607370084.db2.gz NJCQVOIIOZRMIB-UHFFFAOYSA-N -1 3 350.279 3.471 20 30 FGEDHM Fc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)c(C(F)(F)F)c1 ZINC000822766700 607370086 /nfs/dbraw/zinc/37/00/86/607370086.db2.gz NJCQVOIIOZRMIB-UHFFFAOYSA-N -1 3 350.279 3.471 20 30 FGEDHM C=CCc1cc(CNc2ccc(F)cc2-c2nnn[n-]2)cc(OC)c1OC ZINC000819758634 599507489 /nfs/dbraw/zinc/50/74/89/599507489.db2.gz CIPBIFWJFJULFJ-UHFFFAOYSA-N -1 3 369.400 3.364 20 30 FGEDHM C=CCc1cc(CNc2ccc(F)cc2-c2nn[n-]n2)cc(OC)c1OC ZINC000819758634 599507491 /nfs/dbraw/zinc/50/74/91/599507491.db2.gz CIPBIFWJFJULFJ-UHFFFAOYSA-N -1 3 369.400 3.364 20 30 FGEDHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820939112 599632002 /nfs/dbraw/zinc/63/20/02/599632002.db2.gz QSNBQKSPTMGBCJ-PVUWLOKVSA-N -1 3 368.441 3.051 20 30 FGEDHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820939112 599632003 /nfs/dbraw/zinc/63/20/03/599632003.db2.gz QSNBQKSPTMGBCJ-PVUWLOKVSA-N -1 3 368.441 3.051 20 30 FGEDHM CC(C)Oc1ccc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1C#N ZINC000820161329 607396912 /nfs/dbraw/zinc/39/69/12/607396912.db2.gz VLHMZNPDUMMIBJ-JXMROGBWSA-N -1 3 374.404 3.177 20 30 FGEDHM CC(C)Oc1ccc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1C#N ZINC000820161329 607396913 /nfs/dbraw/zinc/39/69/13/607396913.db2.gz VLHMZNPDUMMIBJ-JXMROGBWSA-N -1 3 374.404 3.177 20 30 FGEDHM N#Cc1ccc([C@@H](NCc2cc(Cl)c3c(c2)OCCCO3)C(=O)[O-])cc1 ZINC000739107624 600562896 /nfs/dbraw/zinc/56/28/96/600562896.db2.gz SDUJBJAFVXGVCF-QGZVFWFLSA-N -1 3 372.808 3.288 20 30 FGEDHM CN(C(=O)OC(C)(C)C)[C@H]1CCCN([C@@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000737336763 600567449 /nfs/dbraw/zinc/56/74/49/600567449.db2.gz SQNLLYHUUBPVBQ-DLBZAZTESA-N -1 3 373.453 3.015 20 30 FGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(-n2cccn2)cc1 ZINC000822924198 607458879 /nfs/dbraw/zinc/45/88/79/607458879.db2.gz YTXAQPMAPANGAR-RMKNXTFCSA-N -1 3 360.352 3.088 20 30 FGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(-n2cccn2)cc1 ZINC000822924198 607458881 /nfs/dbraw/zinc/45/88/81/607458881.db2.gz YTXAQPMAPANGAR-RMKNXTFCSA-N -1 3 360.352 3.088 20 30 FGEDHM Cc1sc(NC(=O)CN[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c(C#N)c1C ZINC000833036226 601658301 /nfs/dbraw/zinc/65/83/01/601658301.db2.gz IAZCXFYOZZYRFS-YVEFUNNKSA-N -1 3 371.462 3.227 20 30 FGEDHM COc1ccc(CNc2cc(-c3nnn[n-]3)ccc2OC(C)C)cc1C#N ZINC000826203195 607549181 /nfs/dbraw/zinc/54/91/81/607549181.db2.gz CJXHVFFEEPSPHV-UHFFFAOYSA-N -1 3 364.409 3.146 20 30 FGEDHM COc1ccc(CNc2cc(-c3nn[n-]n3)ccc2OC(C)C)cc1C#N ZINC000826203195 607549182 /nfs/dbraw/zinc/54/91/82/607549182.db2.gz CJXHVFFEEPSPHV-UHFFFAOYSA-N -1 3 364.409 3.146 20 30 FGEDHM N#CC(C(=O)CC[C@@H](NC(=O)[O-])c1ccccc1)C(=O)Nc1ccccc1 ZINC000740302768 602670087 /nfs/dbraw/zinc/67/00/87/602670087.db2.gz DCKUENMOMSLZGY-IAGOWNOFSA-N -1 3 365.389 3.123 20 30 FGEDHM C=CCc1cc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])cc(OC)c1O ZINC000825705519 604467014 /nfs/dbraw/zinc/46/70/14/604467014.db2.gz KOYXMQVYKGFAGK-SFHVURJKSA-N -1 3 353.418 3.141 20 30 FGEDHM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c2c1 ZINC000822275816 606054802 /nfs/dbraw/zinc/05/48/02/606054802.db2.gz YDXBRSXMBRGAKB-UHFFFAOYSA-N -1 3 371.404 3.099 20 30 FGEDHM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c2c1 ZINC000822275816 606054807 /nfs/dbraw/zinc/05/48/07/606054807.db2.gz YDXBRSXMBRGAKB-UHFFFAOYSA-N -1 3 371.404 3.099 20 30 FGEDHM C=CCCCC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000819734281 606267706 /nfs/dbraw/zinc/26/77/06/606267706.db2.gz KWYNHFOFNOCYCT-UHFFFAOYSA-N -1 3 350.382 3.349 20 30 FGEDHM O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000823396055 606311614 /nfs/dbraw/zinc/31/16/14/606311614.db2.gz DNUNCBBIIIOQBE-UHFFFAOYSA-N -1 3 372.306 3.094 20 30 FGEDHM O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000823396055 606311615 /nfs/dbraw/zinc/31/16/15/606311615.db2.gz DNUNCBBIIIOQBE-UHFFFAOYSA-N -1 3 372.306 3.094 20 30 FGEDHM C=CCCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000819733694 606314664 /nfs/dbraw/zinc/31/46/64/606314664.db2.gz AFRBXUUNYZDQFA-UHFFFAOYSA-N -1 3 353.348 3.114 20 30 FGEDHM C=CCCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000819733694 606314665 /nfs/dbraw/zinc/31/46/65/606314665.db2.gz AFRBXUUNYZDQFA-UHFFFAOYSA-N -1 3 353.348 3.114 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1sc(Cl)nc1C ZINC000819746071 606316009 /nfs/dbraw/zinc/31/60/09/606316009.db2.gz ZHVWPFDSNDJUPO-UHFFFAOYSA-N -1 3 374.857 3.113 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1sc(Cl)nc1C ZINC000819746071 606316010 /nfs/dbraw/zinc/31/60/10/606316010.db2.gz ZHVWPFDSNDJUPO-UHFFFAOYSA-N -1 3 374.857 3.113 20 30 FGEDHM C[C@H](OC(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000820497050 606342270 /nfs/dbraw/zinc/34/22/70/606342270.db2.gz PAYUDINWEPTHIV-LBPRGKRZSA-N -1 3 365.418 3.135 20 30 FGEDHM C[C@H](OC(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000820497050 606342272 /nfs/dbraw/zinc/34/22/72/606342272.db2.gz PAYUDINWEPTHIV-LBPRGKRZSA-N -1 3 365.418 3.135 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1CCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822802350 606452253 /nfs/dbraw/zinc/45/22/53/606452253.db2.gz ZNHFHEGQKRTIRZ-PMACEKPBSA-N -1 3 374.448 3.017 20 30 FGEDHM C#Cc1cccc(N(C)Cc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000819709809 606488286 /nfs/dbraw/zinc/48/82/86/606488286.db2.gz QAMOBCPNMZFCLY-UHFFFAOYSA-N -1 3 355.348 3.086 20 30 FGEDHM C#Cc1cccc(N(C)Cc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000819709809 606488287 /nfs/dbraw/zinc/48/82/87/606488287.db2.gz QAMOBCPNMZFCLY-UHFFFAOYSA-N -1 3 355.348 3.086 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1OCc1ccc(C#N)cc1OC(F)F ZINC000822135836 606594669 /nfs/dbraw/zinc/59/46/69/606594669.db2.gz FNCAMNYBEBZWLY-UHFFFAOYSA-N -1 3 357.320 3.227 20 30 FGEDHM C=CCn1c(C)cc(C(=O)COc2cc(-c3nnn[n-]3)ccc2C)c1C ZINC000819758686 607027329 /nfs/dbraw/zinc/02/73/29/607027329.db2.gz FYPIZTKVXMLSJV-UHFFFAOYSA-N -1 3 351.410 3.041 20 30 FGEDHM C=CCn1c(C)cc(C(=O)COc2cc(-c3nn[n-]n3)ccc2C)c1C ZINC000819758686 607027330 /nfs/dbraw/zinc/02/73/30/607027330.db2.gz FYPIZTKVXMLSJV-UHFFFAOYSA-N -1 3 351.410 3.041 20 30 FGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cnn(Cc2ccccc2)c1 ZINC000822924106 607151496 /nfs/dbraw/zinc/15/14/96/607151496.db2.gz XJWUICNBNLJMHL-VOTSOKGWSA-N -1 3 362.418 3.069 20 30 FGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cnn(Cc2ccccc2)c1 ZINC000822924106 607151497 /nfs/dbraw/zinc/15/14/97/607151497.db2.gz XJWUICNBNLJMHL-VOTSOKGWSA-N -1 3 362.418 3.069 20 30 FGEDHM N#Cc1ccc(SCC(=O)c2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000826386092 607845019 /nfs/dbraw/zinc/84/50/19/607845019.db2.gz ONIWMIFFTLOHTG-UHFFFAOYSA-N -1 3 355.810 3.367 20 30 FGEDHM N#Cc1ccc(SCC(=O)c2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000826386092 607845020 /nfs/dbraw/zinc/84/50/20/607845020.db2.gz ONIWMIFFTLOHTG-UHFFFAOYSA-N -1 3 355.810 3.367 20 30 FGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826402460 607883911 /nfs/dbraw/zinc/88/39/11/607883911.db2.gz VEVOGAUFXNPAMM-SOFGYWHQSA-N -1 3 355.741 3.324 20 30 FGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826402460 607883912 /nfs/dbraw/zinc/88/39/12/607883912.db2.gz VEVOGAUFXNPAMM-SOFGYWHQSA-N -1 3 355.741 3.324 20 30 FGEDHM COc1nc2ccccc2cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826221708 608121646 /nfs/dbraw/zinc/12/16/46/608121646.db2.gz REBZXZCMUZQAOK-ZHACJKMWSA-N -1 3 357.373 3.320 20 30 FGEDHM COc1nc2ccccc2cc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826221708 608121647 /nfs/dbraw/zinc/12/16/47/608121647.db2.gz REBZXZCMUZQAOK-ZHACJKMWSA-N -1 3 357.373 3.320 20 30 FGEDHM COc1cc(C#N)ccc1CNc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000826176795 608321106 /nfs/dbraw/zinc/32/11/06/608321106.db2.gz DPMLZIRMPLBTPJ-UHFFFAOYSA-N -1 3 364.409 3.146 20 30 FGEDHM COc1cc(C#N)ccc1CNc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000826176795 608321107 /nfs/dbraw/zinc/32/11/07/608321107.db2.gz DPMLZIRMPLBTPJ-UHFFFAOYSA-N -1 3 364.409 3.146 20 30 FGEDHM CCN(C(=O)c1ccc(CC#N)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825379077 608345761 /nfs/dbraw/zinc/34/57/61/608345761.db2.gz AEMHEEFFLKUHEV-UHFFFAOYSA-N -1 3 366.812 3.253 20 30 FGEDHM CCN(C(=O)c1ccc(CC#N)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825379077 608345763 /nfs/dbraw/zinc/34/57/63/608345763.db2.gz AEMHEEFFLKUHEV-UHFFFAOYSA-N -1 3 366.812 3.253 20 30 FGEDHM C=CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(F)cc1 ZINC000823888781 608540009 /nfs/dbraw/zinc/54/00/09/608540009.db2.gz WPCNWMRAWMDRPG-UHFFFAOYSA-N -1 3 357.780 3.447 20 30 FGEDHM C=CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(F)cc1 ZINC000823888781 608540010 /nfs/dbraw/zinc/54/00/10/608540010.db2.gz WPCNWMRAWMDRPG-UHFFFAOYSA-N -1 3 357.780 3.447 20 30 FGEDHM CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000824148553 608574593 /nfs/dbraw/zinc/57/45/93/608574593.db2.gz ZRWAADPHAABMGK-UHFFFAOYSA-N -1 3 369.816 3.201 20 30 FGEDHM CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000824148553 608574595 /nfs/dbraw/zinc/57/45/95/608574595.db2.gz ZRWAADPHAABMGK-UHFFFAOYSA-N -1 3 369.816 3.201 20 30 FGEDHM Cc1cc(C)c2c(c1)OCC(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826263738 608877510 /nfs/dbraw/zinc/87/75/10/608877510.db2.gz OMJZGJVMBDHPJF-NTUHNPAUSA-N -1 3 350.353 3.281 20 30 FGEDHM Cc1cc(C)c2c(c1)OCC(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826263738 608877512 /nfs/dbraw/zinc/87/75/12/608877512.db2.gz OMJZGJVMBDHPJF-NTUHNPAUSA-N -1 3 350.353 3.281 20 30 FGEDHM Cc1ccc2c(c1)OCCC(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826294314 608880020 /nfs/dbraw/zinc/88/00/20/608880020.db2.gz OBXAXPCAMVWBSP-LCYFTJDESA-N -1 3 350.353 3.363 20 30 FGEDHM Cc1ccc2c(c1)OCCC(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826294314 608880022 /nfs/dbraw/zinc/88/00/22/608880022.db2.gz OBXAXPCAMVWBSP-LCYFTJDESA-N -1 3 350.353 3.363 20 30 FGEDHM C=CCOc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000823932113 609272844 /nfs/dbraw/zinc/27/28/44/609272844.db2.gz OXDRZMOENSBIME-CSKARUKUSA-N -1 3 350.353 3.467 20 30 FGEDHM C=CCOc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000823932113 609272846 /nfs/dbraw/zinc/27/28/46/609272846.db2.gz OXDRZMOENSBIME-CSKARUKUSA-N -1 3 350.353 3.467 20 30 FGEDHM O=C(C=Cc1ccn(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402842 609272888 /nfs/dbraw/zinc/27/28/88/609272888.db2.gz DDXMNCZIGUEXKN-CLFYSBASSA-N -1 3 360.352 3.088 20 30 FGEDHM O=C(C=Cc1ccn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402842 609272891 /nfs/dbraw/zinc/27/28/91/609272891.db2.gz DDXMNCZIGUEXKN-CLFYSBASSA-N -1 3 360.352 3.088 20 30 FGEDHM CCC1(CN=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCOCC1 ZINC000825164878 609277650 /nfs/dbraw/zinc/27/76/50/609277650.db2.gz LOBZNCJLUQGIPT-UHFFFAOYSA-N -1 3 368.363 3.490 20 30 FGEDHM CCC1(CN=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCOCC1 ZINC000825164878 609277652 /nfs/dbraw/zinc/27/76/52/609277652.db2.gz LOBZNCJLUQGIPT-UHFFFAOYSA-N -1 3 368.363 3.490 20 30 FGEDHM Cc1cc(Cl)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1C ZINC000826267744 609283430 /nfs/dbraw/zinc/28/34/30/609283430.db2.gz UHUIVGQPOYESLF-UHFFFAOYSA-N -1 3 352.785 3.261 20 30 FGEDHM Cc1cc(Cl)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1C ZINC000826267744 609283431 /nfs/dbraw/zinc/28/34/31/609283431.db2.gz UHUIVGQPOYESLF-UHFFFAOYSA-N -1 3 352.785 3.261 20 30 FGEDHM N#Cc1ccc(CSc2cc(-c3nnn[n-]3)ccn2)c(Br)c1 ZINC000826384967 609310455 /nfs/dbraw/zinc/31/04/55/609310455.db2.gz RNAWTACREKQRRF-UHFFFAOYSA-N -1 3 373.239 3.188 20 30 FGEDHM N#Cc1ccc(CSc2cc(-c3nn[n-]n3)ccn2)c(Br)c1 ZINC000826384967 609310456 /nfs/dbraw/zinc/31/04/56/609310456.db2.gz RNAWTACREKQRRF-UHFFFAOYSA-N -1 3 373.239 3.188 20 30 FGEDHM Cc1[nH]c2ccc(F)cc2c1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826233545 609449295 /nfs/dbraw/zinc/44/92/95/609449295.db2.gz 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ZINC000826269718 609601179 /nfs/dbraw/zinc/60/11/79/609601179.db2.gz UZRQPQONVSVPMK-FQEVSTJZSA-N -1 3 372.436 3.106 20 30 FGEDHM Cc1cc(N2CCC[C@@](C)(C#N)C2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000826269718 609601180 /nfs/dbraw/zinc/60/11/80/609601180.db2.gz UZRQPQONVSVPMK-FQEVSTJZSA-N -1 3 372.436 3.106 20 30 FGEDHM C[C@@H](CC#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000113686333 700574381 /nfs/dbraw/zinc/57/43/81/700574381.db2.gz VEWDIUOMFCBPPH-LBPRGKRZSA-N -1 3 362.382 3.085 20 30 FGEDHM CCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000114618145 700580748 /nfs/dbraw/zinc/58/07/48/700580748.db2.gz HIZOYFNXDVDURE-NSHDSACASA-N -1 3 351.193 3.171 20 30 FGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1OC ZINC000116905535 700597923 /nfs/dbraw/zinc/59/79/23/700597923.db2.gz YUJCVTKLYONOKZ-QMMMGPOBSA-N -1 3 368.680 3.354 20 30 FGEDHM N#C[C@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(Cl)c(Cl)c1 ZINC000118337840 700609302 /nfs/dbraw/zinc/60/93/02/700609302.db2.gz LKUADTBNDARXEN-AWEZNQCLSA-N -1 3 373.199 3.225 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cnc2Br)cc1 ZINC000312342368 713802364 /nfs/dbraw/zinc/80/23/64/713802364.db2.gz GTHFRDLXQSBUAM-UHFFFAOYSA-N -1 3 372.631 3.170 20 30 FGEDHM CC(=NNc1cc(Cl)nc(N)n1)c1cc(Br)cc(F)c1[O-] ZINC000783862015 724797329 /nfs/dbraw/zinc/79/73/29/724797329.db2.gz KMNVMPCECSWAEP-UHFFFAOYSA-N -1 3 374.601 3.156 20 30 FGEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1COc2cc(Cl)cc(Cl)c21 ZINC000743436829 722567455 /nfs/dbraw/zinc/56/74/55/722567455.db2.gz ZMBMRXSITJQMSO-UHFFFAOYSA-N -1 3 371.245 3.210 20 30 FGEDHM Cc1[n-]ncc1S(=O)(=O)Oc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000748656056 722700608 /nfs/dbraw/zinc/70/06/08/722700608.db2.gz FPCOZHJSHAXDPF-UHFFFAOYSA-N -1 3 355.375 3.150 20 30 FGEDHM COC(=O)[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1cccc(C#N)c1 ZINC000751641835 722818074 /nfs/dbraw/zinc/81/80/74/722818074.db2.gz BMJCWJCZBPAWOI-GFCCVEGCSA-N -1 3 353.161 3.264 20 30 FGEDHM CC[C@]1(c2ccccc2)NC(=O)N(N=Cc2c([O-])cccc2Cl)C1=O ZINC000755610265 722954906 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C#C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C(C)(C)C ZINC000813775349 726913718 /nfs/dbraw/zinc/91/37/18/726913718.db2.gz DJCDQPAXQUAEHV-HNNXBMFYSA-N -1 3 361.239 3.068 20 30 FGEDHM C=CCC(F)(F)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000815834877 727101080 /nfs/dbraw/zinc/10/10/80/727101080.db2.gz DGMGKLMYNMOTQP-CQSZACIVSA-N -1 3 358.816 3.338 20 30 FGEDHM O=C(CSc1cccc2cccc(Cl)c21)N[C@H]1CCCN([O-])C1=O ZINC000816759763 727193361 /nfs/dbraw/zinc/19/33/61/727193361.db2.gz UKIUTBIAKFJXOT-ZDUSSCGKSA-N -1 3 364.854 3.082 20 30 FGEDHM O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3nnn[n-]3)cc2F)c(Cl)c1 ZINC000823639488 729295224 /nfs/dbraw/zinc/29/52/24/729295224.db2.gz BCKPTIGNFFTADM-UHFFFAOYSA-N -1 3 361.724 3.013 20 30 FGEDHM O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3nn[n-]n3)cc2F)c(Cl)c1 ZINC000823639488 729295226 /nfs/dbraw/zinc/29/52/26/729295226.db2.gz BCKPTIGNFFTADM-UHFFFAOYSA-N -1 3 361.724 3.013 20 30 FGEDHM Cc1cc([O-])c(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1Cl ZINC000825510233 729386016 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Cn1nccc1[C@@H]1C[C@@H](/N=C/c2cc(Br)ccc2[O-])CCO1 ZINC000840708663 730164676 /nfs/dbraw/zinc/16/46/76/730164676.db2.gz IBZLVAZTLMRBFS-OJXHPSIPSA-N -1 3 364.243 3.227 20 30 FGEDHM C=C[C@@H](C)O[N-]C(=O)CCC(=O)c1cc(Br)ccc1OC ZINC000846541474 730962079 /nfs/dbraw/zinc/96/20/79/730962079.db2.gz HINOKQMXFQYOKX-SNVBAGLBSA-N -1 3 356.216 3.043 20 30 FGEDHM C=C[C@H](C)O[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000846552196 730962466 /nfs/dbraw/zinc/96/24/66/730962466.db2.gz ZULKIHRQTWGFTQ-WCQYABFASA-N -1 3 371.264 3.468 20 30 FGEDHM C=CCCC(C)(C)CNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000868859979 733654572 /nfs/dbraw/zinc/65/45/72/733654572.db2.gz MYWKMSIGYBAWHE-CYBMUJFWSA-N -1 3 363.424 3.079 20 30 FGEDHM CCOC(=O)[C@H](C[C@H]1CCCO1)/N=C/c1cc(Br)ccc1[O-] ZINC000887272543 739351802 /nfs/dbraw/zinc/35/18/02/739351802.db2.gz PDOGJIPZCJCIGM-BCZDJZIOSA-N -1 3 370.243 3.074 20 30 FGEDHM N#C[C@@]1(C(=O)NCc2ccc([O-])c(Br)c2)CC2CCC1CC2 ZINC000907063053 744183061 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CN1CCCc2cc([N-]S(=O)(=O)c3ccc(C#N)c(Cl)c3)ccc21 ZINC000920757091 758596645 /nfs/dbraw/zinc/59/66/45/758596645.db2.gz UKJJTXUFUVBCGN-UHFFFAOYSA-N -1 3 361.854 3.395 20 30 FGEDHM C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928710709 760243170 /nfs/dbraw/zinc/24/31/70/760243170.db2.gz WDUQWLIVWVAXSG-CYBMUJFWSA-N -1 3 372.824 3.183 20 30 FGEDHM N#Cc1cc(Cl)cc(CN2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000930520889 760632018 /nfs/dbraw/zinc/63/20/18/760632018.db2.gz RKKUZBLFEKOWTH-LLVKDONJSA-N -1 3 359.779 3.102 20 30 FGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CCCC(C)C)ccc1F ZINC000105866837 222378141 /nfs/dbraw/zinc/37/81/41/222378141.db2.gz LGQANCISPDJKNV-CQSZACIVSA-N -1 3 370.490 3.235 20 30 FGEDHM CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC000570864534 505598572 /nfs/dbraw/zinc/59/85/72/505598572.db2.gz VJQWVPRRQOQXMM-UHFFFAOYSA-N -1 3 350.422 3.230 20 30 FGEDHM CC1(C)C[C@]1(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000571134033 505660913 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CC[C@H](C)C(=O)Nc1cccc(C/N=C/c2c([O-])c(C)ncc2CO)c1 ZINC000298630278 498834373 /nfs/dbraw/zinc/83/43/73/498834373.db2.gz FKKHFSLMLHANEM-PUFAJPFRSA-N -1 3 355.438 3.192 20 30 FGEDHM N#Cc1cccc(CN2C(=O)CC[C@H]2c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000366425585 498920780 /nfs/dbraw/zinc/92/07/80/498920780.db2.gz CLGPNTNQIGDPHG-KRWDZBQOSA-N -1 3 360.373 3.178 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H]2[C@@H]3CC[C@@H](C3)[C@@]2(C)C1 ZINC000333301737 498971633 /nfs/dbraw/zinc/97/16/33/498971633.db2.gz CEVDIBIBHJFGBB-ZUEQLIKTSA-N -1 3 353.466 3.103 20 30 FGEDHM COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(C(C)=O)c1[O-] ZINC000576298668 506124499 /nfs/dbraw/zinc/12/44/99/506124499.db2.gz MPVBESVTMAMLRK-UHFFFAOYSA-N -1 3 368.389 3.273 20 30 FGEDHM Cc1cc(C(=O)NCC(C)C)ccc1/N=C/c1c([O-])c(C)ncc1CO ZINC000299456706 499064699 /nfs/dbraw/zinc/06/46/99/499064699.db2.gz WBBYBXPYSSNHHC-LSHDLFTRSA-N -1 3 355.438 3.033 20 30 FGEDHM C[C@]1(C[C@@H]2CCCN2C(=O)NCC2CCC(F)(F)CC2)NC(=O)[N-]C1=O ZINC000329375127 499111461 /nfs/dbraw/zinc/11/14/61/499111461.db2.gz KRBIHYCVMDHKKG-BLLLJJGKSA-N -1 3 372.416 3.223 20 30 FGEDHM C[C@]1(C[C@@H]2CCCN2C(=O)NC[C@H]2CCCC(F)(F)C2)NC(=O)[N-]C1=O ZINC000329487382 499127761 /nfs/dbraw/zinc/12/77/61/499127761.db2.gz GQVMEDADBVONFF-MQIPJXDCSA-N -1 3 372.416 3.223 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-c2ccccn2)cn1 ZINC000367167921 499156389 /nfs/dbraw/zinc/15/63/89/499156389.db2.gz KQUSXRBZHJKOTR-UHFFFAOYSA-N -1 3 373.416 3.304 20 30 FGEDHM COc1ccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1C#N ZINC000372169349 499404990 /nfs/dbraw/zinc/40/49/90/499404990.db2.gz HLOLVKHGUWHXNV-UHFFFAOYSA-N -1 3 350.418 3.367 20 30 FGEDHM CC(C)(C)C(=O)Cn1cc(C(=O)[N-]c2scc(C(C)(C)C)c2C#N)nn1 ZINC000410922576 499685567 /nfs/dbraw/zinc/68/55/67/499685567.db2.gz AJOADAPVXPRLCL-UHFFFAOYSA-N -1 3 373.482 3.376 20 30 FGEDHM N#Cc1cnc([N-]c2ccc3c(c2)CN(CC(F)(F)F)C3)c([N+](=O)[O-])c1 ZINC000413378608 499946976 /nfs/dbraw/zinc/94/69/76/499946976.db2.gz ZAJCGNGXGYKYSN-UHFFFAOYSA-N -1 3 363.299 3.483 20 30 FGEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2cc(F)ccc2OC(F)F)C1 ZINC000421227842 499996167 /nfs/dbraw/zinc/99/61/67/499996167.db2.gz CZPBICQVKBUJOD-MEBBXXQBSA-N -1 3 362.373 3.178 20 30 FGEDHM C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)c1csc(=O)[n-]1 ZINC000425081177 500014519 /nfs/dbraw/zinc/01/45/19/500014519.db2.gz CVFKUVQYCSTVDQ-VIFPVBQESA-N -1 3 355.341 3.422 20 30 FGEDHM C=C(C)C[C@@H](C)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421679743 500114493 /nfs/dbraw/zinc/11/44/93/500114493.db2.gz NMEACFURNRQJNZ-MRVPVSSYSA-N -1 3 354.170 3.171 20 30 FGEDHM COC(=O)c1cccc([N-]S(=O)(=O)c2cc(C#N)ccc2C)c1Cl ZINC000431183488 500347240 /nfs/dbraw/zinc/34/72/40/500347240.db2.gz XTZJZQNWPVAZTN-UHFFFAOYSA-N -1 3 364.810 3.108 20 30 FGEDHM CC(C)Oc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2cccnc2C#N)cc1 ZINC000428262502 500488321 /nfs/dbraw/zinc/48/83/21/500488321.db2.gz GFKZUMVADSDHJE-OAHLLOKOSA-N -1 3 373.478 3.040 20 30 FGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1cccc2c1OCC[C@H]2N(C)C ZINC000432476852 500520371 /nfs/dbraw/zinc/52/03/71/500520371.db2.gz JHGTZOLQGHNZAU-QGZVFWFLSA-N -1 3 371.462 3.053 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2cc(F)ccc2F)C(F)F)cc1 ZINC000432966591 500599135 /nfs/dbraw/zinc/59/91/35/500599135.db2.gz UCOJJUOYNKEIBC-AWEZNQCLSA-N -1 3 358.316 3.121 20 30 FGEDHM Cc1ccc(CC[C@@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)o1 ZINC000442813604 500629379 /nfs/dbraw/zinc/62/93/79/500629379.db2.gz BPDGDZILGNXAST-LLVKDONJSA-N -1 3 352.843 3.413 20 30 FGEDHM N#Cc1ccc(C(=O)N2CCC(c3nnc(-c4ccccc4)[nH]3)CC2)cc1[O-] ZINC000442955325 500652886 /nfs/dbraw/zinc/65/28/86/500652886.db2.gz KIIDZMOGOPEINA-UHFFFAOYSA-N -1 3 373.416 3.069 20 30 FGEDHM COc1ccc(CCC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000443018234 500663659 /nfs/dbraw/zinc/66/36/59/500663659.db2.gz BRBMELAGMDUBIW-UHFFFAOYSA-N -1 3 364.854 3.131 20 30 FGEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccsc2Cl)c1 ZINC000437655049 500677478 /nfs/dbraw/zinc/67/74/78/500677478.db2.gz KVNHXVITWZELOY-UHFFFAOYSA-N -1 3 356.856 3.118 20 30 FGEDHM Cc1cccc(S(=O)(=O)[N-][C@H](c2cc(F)ccc2F)C(F)F)c1C#N ZINC000433443704 500694692 /nfs/dbraw/zinc/69/46/92/500694692.db2.gz PXVDOAGKTPJHDI-OAHLLOKOSA-N -1 3 372.343 3.430 20 30 FGEDHM CCO[C@H](C[N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000444994310 500930393 /nfs/dbraw/zinc/93/03/93/500930393.db2.gz JXWGUKMAPIUNSX-QGZVFWFLSA-N -1 3 350.484 3.158 20 30 FGEDHM C=CCC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)OCC)o1)c1ccccc1 ZINC000435121592 500935765 /nfs/dbraw/zinc/93/57/65/500935765.db2.gz OQYLDFJGLLREEE-HNNXBMFYSA-N -1 3 363.435 3.442 20 30 FGEDHM Cc1csc([C@H]([N-]S(=O)(=O)Cc2ccc(C#N)cc2F)C2CC2)n1 ZINC000440054968 500970201 /nfs/dbraw/zinc/97/02/01/500970201.db2.gz UMLXOMNKGFRESU-OAHLLOKOSA-N -1 3 365.455 3.033 20 30 FGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)s1)c1nc(C(F)(F)F)cs1 ZINC000435418694 500970309 /nfs/dbraw/zinc/97/03/09/500970309.db2.gz RHEQJKHQBVCJNT-LURJTMIESA-N -1 3 367.399 3.135 20 30 FGEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)Oc1ccc(Cl)cc1 ZINC000435434280 500975488 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C=C[C@@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000451912442 501399866 /nfs/dbraw/zinc/39/98/66/501399866.db2.gz UBVMDPHDRSYBSS-ZJUUUORDSA-N -1 3 366.266 3.014 20 30 FGEDHM COCCOc1ccc(C#N)cc1NC(=O)Nc1ccc([O-])cc1COC ZINC000459490806 501663236 /nfs/dbraw/zinc/66/32/36/501663236.db2.gz LFOKQNLJCYEFPU-UHFFFAOYSA-N -1 3 371.393 3.079 20 30 FGEDHM Cc1cc(Br)c(S(=O)(=O)[N-]Cc2cccc(C#N)c2)s1 ZINC000460444339 501826122 /nfs/dbraw/zinc/82/61/22/501826122.db2.gz BRBONJOXRMNJLQ-UHFFFAOYSA-N -1 3 371.281 3.169 20 30 FGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-]c1ccc(OCC(F)F)cc1 ZINC000481977949 501933796 /nfs/dbraw/zinc/93/37/96/501933796.db2.gz YZUHDDAAQJGAOB-UHFFFAOYSA-N -1 3 352.362 3.311 20 30 FGEDHM O=C([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)NCCOC(F)(F)F ZINC000474833444 501965801 /nfs/dbraw/zinc/96/58/01/501965801.db2.gz LQPFKZFHUXGPLJ-VIFPVBQESA-N -1 3 366.208 3.404 20 30 FGEDHM CC(C)C[C@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000478781963 502084447 /nfs/dbraw/zinc/08/44/47/502084447.db2.gz LSWKPFILSOJCEC-HUUCEWRRSA-N -1 3 356.875 3.084 20 30 FGEDHM C=CCN1C(=O)N(Cc2ccc([O-])c(F)c2)C(=O)[C@@H]1Cc1ccccc1 ZINC000479023162 502141655 /nfs/dbraw/zinc/14/16/55/502141655.db2.gz NDKISWOXGUDZII-KRWDZBQOSA-N -1 3 354.381 3.093 20 30 FGEDHM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)ccc1C ZINC000486541668 502184943 /nfs/dbraw/zinc/18/49/43/502184943.db2.gz RISRLNQQTSCRCG-UHFFFAOYSA-N -1 3 364.810 3.108 20 30 FGEDHM C[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)N(C)c1ccccc1 ZINC000475570797 502215357 /nfs/dbraw/zinc/21/53/57/502215357.db2.gz KCOYJSWAEFEINC-CYBMUJFWSA-N -1 3 363.870 3.015 20 30 FGEDHM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCO1 ZINC000479445282 502261899 /nfs/dbraw/zinc/26/18/99/502261899.db2.gz ZQHKYOQAHPEPRB-IAQYHMDHSA-N -1 3 356.875 3.084 20 30 FGEDHM N#CCc1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC000475788038 502292412 /nfs/dbraw/zinc/29/24/12/502292412.db2.gz KPUUWLPWFFDKEJ-UHFFFAOYSA-N -1 3 369.215 3.455 20 30 FGEDHM CC(C)(C)[C@@H]1OCCC[C@@H]1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475818415 502299871 /nfs/dbraw/zinc/29/98/71/502299871.db2.gz KUVAAKMMERTDGT-CZUORRHYSA-N -1 3 370.902 3.331 20 30 FGEDHM N#Cc1ccc(C[C@@H](C#N)C(=O)Nc2cc(Br)ccc2[O-])cc1 ZINC000472442538 502353495 /nfs/dbraw/zinc/35/34/95/502353495.db2.gz NMNLDLHNRWZSNT-ZDUSSCGKSA-N -1 3 370.206 3.347 20 30 FGEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)C[C@H](CC#N)c2ccccc2)c1 ZINC000476152579 502399655 /nfs/dbraw/zinc/39/96/55/502399655.db2.gz NQXYGTZDPYJOHU-INIZCTEOSA-N -1 3 371.462 3.393 20 30 FGEDHM COc1ccc(S(=O)(=O)[N-]Cc2ccc(C#N)cc2)c(Cl)c1Cl ZINC000462352980 502404357 /nfs/dbraw/zinc/40/43/57/502404357.db2.gz AZGOJWMAQPZJQR-UHFFFAOYSA-N -1 3 371.245 3.352 20 30 FGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(=O)c2ccccc2Cl)c1 ZINC000476189059 502407424 /nfs/dbraw/zinc/40/74/24/502407424.db2.gz AVMOUKDIBLLUAB-UHFFFAOYSA-N -1 3 369.229 3.026 20 30 FGEDHM COC(=O)c1ccc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)[n-]1 ZINC000487474619 502453381 /nfs/dbraw/zinc/45/33/81/502453381.db2.gz PORVBSPXACFPLP-UHFFFAOYSA-N -1 3 352.375 3.049 20 30 FGEDHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C12CCCC2 ZINC000476331115 502459638 /nfs/dbraw/zinc/45/96/38/502459638.db2.gz HWXATHOZEJSEMG-HZPDHXFCSA-N -1 3 368.886 3.228 20 30 FGEDHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C12CCCC2 ZINC000476331117 502459837 /nfs/dbraw/zinc/45/98/37/502459837.db2.gz HWXATHOZEJSEMG-JKSUJKDBSA-N -1 3 368.886 3.228 20 30 FGEDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000483951618 502529826 /nfs/dbraw/zinc/52/98/26/502529826.db2.gz GCZBLEKREWRCRB-CQSZACIVSA-N -1 3 355.394 3.440 20 30 FGEDHM Cc1cc(NCc2n[n-]c(C(F)(F)F)n2)n2c3ccccc3nc2c1C#N ZINC000480305787 502532548 /nfs/dbraw/zinc/53/25/48/502532548.db2.gz GGAAOPSEPYZXQC-UHFFFAOYSA-N -1 3 371.326 3.417 20 30 FGEDHM Cc1cc(NCc2nnc(C(F)(F)F)[n-]2)n2c3ccccc3nc2c1C#N ZINC000480305787 502532552 /nfs/dbraw/zinc/53/25/52/502532552.db2.gz GGAAOPSEPYZXQC-UHFFFAOYSA-N -1 3 371.326 3.417 20 30 FGEDHM Cc1cc(NCc2nc(C(F)(F)F)n[n-]2)n2c3ccccc3nc2c1C#N ZINC000480305787 502532555 /nfs/dbraw/zinc/53/25/55/502532555.db2.gz GGAAOPSEPYZXQC-UHFFFAOYSA-N -1 3 371.326 3.417 20 30 FGEDHM Cc1ncc(S(=O)(=O)[N-][C@H](C)c2ccccc2C(F)(F)F)cc1C#N ZINC000489101430 502879495 /nfs/dbraw/zinc/87/94/95/502879495.db2.gz CPCFHTBJMJWRHY-LLVKDONJSA-N -1 3 369.368 3.320 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2C(F)(F)F)cc1F ZINC000489578868 502990585 /nfs/dbraw/zinc/99/05/85/502990585.db2.gz OMJWBIPUUGCSBA-DGCLKSJQSA-N -1 3 364.364 3.344 20 30 FGEDHM CC(C)n1ncc2cc(C([O-])=C(C#N)c3nc4ccccc4n3C)cnc21 ZINC000513671264 502996053 /nfs/dbraw/zinc/99/60/53/502996053.db2.gz HMGJDVWLTTWROW-HNNXBMFYSA-N -1 3 358.405 3.389 20 30 FGEDHM C=CCSCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000492965118 503396738 /nfs/dbraw/zinc/39/67/38/503396738.db2.gz YPKKVCCSQWKLGV-UHFFFAOYSA-N -1 3 370.721 3.300 20 30 FGEDHM N#Cc1cccc(NC(=O)C2CCN(Cc3c(F)ccc([O-])c3F)CC2)c1 ZINC000507986835 503409683 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CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000611028913 507487101 /nfs/dbraw/zinc/48/71/01/507487101.db2.gz HXEBCGVJBOUWOQ-VIFPVBQESA-N -1 3 351.653 3.073 20 30 FGEDHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)CC(F)(F)F ZINC000595419306 507488220 /nfs/dbraw/zinc/48/82/20/507488220.db2.gz XQRQNIAQGLHKOY-UHFFFAOYSA-N -1 3 354.781 3.469 20 30 FGEDHM COCC[C@](C)(C#N)[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000586755678 507660058 /nfs/dbraw/zinc/66/00/58/507660058.db2.gz GGBCXXIXJACTKX-CQSZACIVSA-N -1 3 365.282 3.207 20 30 FGEDHM CSc1ccc(C(=O)[N-]c2sc3c(c2C#N)CCN(C(C)=O)C3)o1 ZINC000598889820 507665155 /nfs/dbraw/zinc/66/51/55/507665155.db2.gz YESIGQGBGIAENF-UHFFFAOYSA-N -1 3 361.448 3.092 20 30 FGEDHM Cc1ccccc1-c1cc(=NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)[nH][n-]1 ZINC000611407139 507668040 /nfs/dbraw/zinc/66/80/40/507668040.db2.gz AKAVADUJEPWDHC-HXUWFJFHSA-N -1 3 371.444 3.286 20 30 FGEDHM CCNc1ccc(C#N)cc1[N-]C(=O)c1noc(-c2cccc(F)c2)n1 ZINC000586796980 507674997 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FGEDHM N#Cc1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1-c1nn[n-]n1 ZINC000737718821 598917821 /nfs/dbraw/zinc/91/78/21/598917821.db2.gz NFMQDCHXXSGFAW-UHFFFAOYSA-N -1 3 359.176 3.297 20 30 FGEDHM Cc1c2cccc(F)c2oc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737214799 598921014 /nfs/dbraw/zinc/92/10/14/598921014.db2.gz SISTTZWSOSGVCA-UHFFFAOYSA-N -1 3 362.324 3.184 20 30 FGEDHM Cc1c2cccc(F)c2oc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737214799 598921016 /nfs/dbraw/zinc/92/10/16/598921016.db2.gz SISTTZWSOSGVCA-UHFFFAOYSA-N -1 3 362.324 3.184 20 30 FGEDHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(Cl)cc1 ZINC000735581223 598927396 /nfs/dbraw/zinc/92/73/96/598927396.db2.gz QKUAXRRBEYXBFS-UHFFFAOYSA-N -1 3 366.812 3.308 20 30 FGEDHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(Cl)cc1 ZINC000735581223 598927398 /nfs/dbraw/zinc/92/73/98/598927398.db2.gz QKUAXRRBEYXBFS-UHFFFAOYSA-N -1 3 366.812 3.308 20 30 FGEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1sc(C(C)C)nc1C ZINC000819773113 607253146 /nfs/dbraw/zinc/25/31/46/607253146.db2.gz OGIPSTZAYVKCGB-UHFFFAOYSA-N -1 3 355.471 3.269 20 30 FGEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1sc(C(C)C)nc1C ZINC000819773113 607253147 /nfs/dbraw/zinc/25/31/47/607253147.db2.gz OGIPSTZAYVKCGB-UHFFFAOYSA-N -1 3 355.471 3.269 20 30 FGEDHM N#Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)ccc1-c1nnn[n-]1 ZINC000737708057 599114282 /nfs/dbraw/zinc/11/42/82/599114282.db2.gz CSJYJOZFRLTSSM-UHFFFAOYSA-N -1 3 359.176 3.297 20 30 FGEDHM N#Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)ccc1-c1nn[n-]n1 ZINC000737708057 599114285 /nfs/dbraw/zinc/11/42/85/599114285.db2.gz CSJYJOZFRLTSSM-UHFFFAOYSA-N -1 3 359.176 3.297 20 30 FGEDHM CCOc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)ccc1O ZINC000821395466 599112779 /nfs/dbraw/zinc/11/27/79/599112779.db2.gz YEFXWBMQVTUKDK-ZROIWOOFSA-N -1 3 362.389 3.184 20 30 FGEDHM CCOc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)ccc1O ZINC000821395466 599112782 /nfs/dbraw/zinc/11/27/82/599112782.db2.gz YEFXWBMQVTUKDK-ZROIWOOFSA-N -1 3 362.389 3.184 20 30 FGEDHM COc1ccc(C=C2CCOc3ccc(F)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737081005 599155214 /nfs/dbraw/zinc/15/52/14/599155214.db2.gz ANQXJKOGHPZHAV-XYOKQWHBSA-N -1 3 366.352 3.063 20 30 FGEDHM COc1ccc(C=C2CCOc3ccc(F)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737081005 599155216 /nfs/dbraw/zinc/15/52/16/599155216.db2.gz ANQXJKOGHPZHAV-XYOKQWHBSA-N -1 3 366.352 3.063 20 30 FGEDHM COc1ccc(C=C2COc3c(C)cc(C)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737083124 599155960 /nfs/dbraw/zinc/15/59/60/599155960.db2.gz NEXDBMXOPRECCG-ZSOIEALJSA-N -1 3 362.389 3.151 20 30 FGEDHM COc1ccc(C=C2COc3c(C)cc(C)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737083124 599155963 /nfs/dbraw/zinc/15/59/63/599155963.db2.gz NEXDBMXOPRECCG-ZSOIEALJSA-N -1 3 362.389 3.151 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)c1cccc(F)c1 ZINC000735419333 599184068 /nfs/dbraw/zinc/18/40/68/599184068.db2.gz RTPGAPXYSFBVIP-CQSZACIVSA-N -1 3 365.412 3.324 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)c1cccc(F)c1 ZINC000735419333 599184070 /nfs/dbraw/zinc/18/40/70/599184070.db2.gz RTPGAPXYSFBVIP-CQSZACIVSA-N -1 3 365.412 3.324 20 30 FGEDHM C[C@@H](C#N)OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735504876 599216077 /nfs/dbraw/zinc/21/60/77/599216077.db2.gz OLUSGYMMRYPGNC-JTQLQIEISA-N -1 3 369.768 3.381 20 30 FGEDHM C[C@@H](C#N)OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735504876 599216080 /nfs/dbraw/zinc/21/60/80/599216080.db2.gz OLUSGYMMRYPGNC-JTQLQIEISA-N -1 3 369.768 3.381 20 30 FGEDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N[C@@H](C)c1ccc(C#N)cc1 ZINC000737263788 599273391 /nfs/dbraw/zinc/27/33/91/599273391.db2.gz PCXLPUXPOMODMV-LBPRGKRZSA-N -1 3 373.395 3.329 20 30 FGEDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N[C@@H](C)c1ccc(C#N)cc1 ZINC000737263788 599273393 /nfs/dbraw/zinc/27/33/93/599273393.db2.gz PCXLPUXPOMODMV-LBPRGKRZSA-N -1 3 373.395 3.329 20 30 FGEDHM C=CCCCOC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735413243 599277522 /nfs/dbraw/zinc/27/75/22/599277522.db2.gz QVVIOQLXXZUNOC-UHFFFAOYSA-N -1 3 354.366 3.162 20 30 FGEDHM C=CCCCOC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735413243 599277524 /nfs/dbraw/zinc/27/75/24/599277524.db2.gz QVVIOQLXXZUNOC-UHFFFAOYSA-N -1 3 354.366 3.162 20 30 FGEDHM C#Cc1cccc(NC(=S)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000735391619 598323307 /nfs/dbraw/zinc/32/33/07/598323307.db2.gz VFZLDAJEALIRIN-UHFFFAOYSA-N -1 3 374.473 3.209 20 30 FGEDHM C#Cc1cccc(NC(=S)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000735391619 598323309 /nfs/dbraw/zinc/32/33/09/598323309.db2.gz VFZLDAJEALIRIN-UHFFFAOYSA-N -1 3 374.473 3.209 20 30 FGEDHM CCOc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000736655780 598377016 /nfs/dbraw/zinc/37/70/16/598377016.db2.gz UILOMYZZRCBQKS-MDZDMXLPSA-N -1 3 363.421 3.218 20 30 FGEDHM CCOc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000736655780 598377018 /nfs/dbraw/zinc/37/70/18/598377018.db2.gz UILOMYZZRCBQKS-MDZDMXLPSA-N -1 3 363.421 3.218 20 30 FGEDHM COc1ccc(C)cc1C=CC(=O)c1c(C)n2c(c1-c1nnn[n-]1)CCC2 ZINC000737078126 598377209 /nfs/dbraw/zinc/37/72/09/598377209.db2.gz UHCDYHMKFXUGDC-FPLPWBNLSA-N -1 3 363.421 3.136 20 30 FGEDHM COc1ccc(C)cc1C=CC(=O)c1c(C)n2c(c1-c1nn[n-]n1)CCC2 ZINC000737078126 598377211 /nfs/dbraw/zinc/37/72/11/598377211.db2.gz UHCDYHMKFXUGDC-FPLPWBNLSA-N -1 3 363.421 3.136 20 30 FGEDHM COc1cc(C)c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000737039474 598546897 /nfs/dbraw/zinc/54/68/97/598546897.db2.gz FGWKRLWYZIDKRJ-FPLPWBNLSA-N -1 3 350.378 3.088 20 30 FGEDHM COc1cc(C)c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000737039474 598546899 /nfs/dbraw/zinc/54/68/99/598546899.db2.gz FGWKRLWYZIDKRJ-FPLPWBNLSA-N -1 3 350.378 3.088 20 30 FGEDHM Cc1cc(Br)ccc1NN=Cc1cccc(-c2nnn[n-]2)c1 ZINC000737231264 598642153 /nfs/dbraw/zinc/64/21/53/598642153.db2.gz LVMBNNOAOJLSBN-UHFFFAOYSA-N -1 3 357.215 3.384 20 30 FGEDHM Cc1cc(Br)ccc1NN=Cc1cccc(-c2nn[n-]n2)c1 ZINC000737231264 598642154 /nfs/dbraw/zinc/64/21/54/598642154.db2.gz LVMBNNOAOJLSBN-UHFFFAOYSA-N -1 3 357.215 3.384 20 30 FGEDHM Cc1sc(NC(=O)CSc2ccc(C#N)cc2)c(-c2nnn[n-]2)c1C ZINC000737565626 598647773 /nfs/dbraw/zinc/64/77/73/598647773.db2.gz VCNHIHULXGUFNI-UHFFFAOYSA-N -1 3 370.463 3.148 20 30 FGEDHM Cc1sc(NC(=O)CSc2ccc(C#N)cc2)c(-c2nn[n-]n2)c1C ZINC000737565626 598647775 /nfs/dbraw/zinc/64/77/75/598647775.db2.gz VCNHIHULXGUFNI-UHFFFAOYSA-N -1 3 370.463 3.148 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1CCc2ccccc21 ZINC000735418550 598789628 /nfs/dbraw/zinc/78/96/28/598789628.db2.gz FEMRCTISMHVVOJ-LJQANCHMSA-N -1 3 359.433 3.111 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1CCc2ccccc21 ZINC000735418550 598789629 /nfs/dbraw/zinc/78/96/29/598789629.db2.gz FEMRCTISMHVVOJ-LJQANCHMSA-N -1 3 359.433 3.111 20 30 FGEDHM COc1ccc(O)c(C=Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1 ZINC000821838130 607368172 /nfs/dbraw/zinc/36/81/72/607368172.db2.gz KVLKLVILQWSIEM-UHFFFAOYSA-N -1 3 353.382 3.119 20 30 FGEDHM COc1ccc(O)c(C=Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1 ZINC000821838130 607368174 /nfs/dbraw/zinc/36/81/74/607368174.db2.gz KVLKLVILQWSIEM-UHFFFAOYSA-N -1 3 353.382 3.119 20 30 FGEDHM Clc1ccc(NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c(Cl)c1 ZINC000737573040 599458321 /nfs/dbraw/zinc/45/83/21/599458321.db2.gz DRPYVBZDBPQYPI-UHFFFAOYSA-N -1 3 373.207 3.267 20 30 FGEDHM Clc1ccc(NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c(Cl)c1 ZINC000737573040 599458324 /nfs/dbraw/zinc/45/83/24/599458324.db2.gz DRPYVBZDBPQYPI-UHFFFAOYSA-N -1 3 373.207 3.267 20 30 FGEDHM CCCOc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000736490408 599460351 /nfs/dbraw/zinc/46/03/51/599460351.db2.gz LGLCFZKCQLFJDW-RMKNXTFCSA-N -1 3 374.404 3.199 20 30 FGEDHM CCCOc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000736490408 599460353 /nfs/dbraw/zinc/46/03/53/599460353.db2.gz LGLCFZKCQLFJDW-RMKNXTFCSA-N -1 3 374.404 3.199 20 30 FGEDHM Cc1[nH]c2ccccc2c1C(=O)C=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737200011 599462818 /nfs/dbraw/zinc/46/28/18/599462818.db2.gz RGWDYWGWENNLTO-BQYQJAHWSA-N -1 3 369.388 3.200 20 30 FGEDHM Cc1[nH]c2ccccc2c1C(=O)C=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737200011 599462819 /nfs/dbraw/zinc/46/28/19/599462819.db2.gz RGWDYWGWENNLTO-BQYQJAHWSA-N -1 3 369.388 3.200 20 30 FGEDHM CC(C)CCN(CCC#N)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000820076177 607381505 /nfs/dbraw/zinc/38/15/05/607381505.db2.gz FITWVZRLAFUUNB-UHFFFAOYSA-N -1 3 353.352 3.047 20 30 FGEDHM CC(C)CCN(CCC#N)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000820076177 607381508 /nfs/dbraw/zinc/38/15/08/607381508.db2.gz FITWVZRLAFUUNB-UHFFFAOYSA-N -1 3 353.352 3.047 20 30 FGEDHM C[C@](NCc1cccc(C#N)c1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736665182 600079143 /nfs/dbraw/zinc/07/91/43/600079143.db2.gz WECHYAIFQFBBBG-QGZVFWFLSA-N -1 3 359.223 3.410 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000826251521 607428753 /nfs/dbraw/zinc/42/87/53/607428753.db2.gz RWAQYOSNIBCDIW-UHFFFAOYSA-N -1 3 364.434 3.239 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000826251521 607428755 /nfs/dbraw/zinc/42/87/55/607428755.db2.gz RWAQYOSNIBCDIW-UHFFFAOYSA-N -1 3 364.434 3.239 20 30 FGEDHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC(C)C ZINC000737885744 600593740 /nfs/dbraw/zinc/59/37/40/600593740.db2.gz HDPYQCKFQPSOMD-IBGZPJMESA-N -1 3 354.406 3.270 20 30 FGEDHM O=C1c2cc(F)ccc2OCCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823504274 607459091 /nfs/dbraw/zinc/45/90/91/607459091.db2.gz OFRRWTGEQSTETC-YRNVUSSQSA-N -1 3 354.316 3.194 20 30 FGEDHM O=C1c2cc(F)ccc2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823504274 607459093 /nfs/dbraw/zinc/45/90/93/607459093.db2.gz OFRRWTGEQSTETC-YRNVUSSQSA-N -1 3 354.316 3.194 20 30 FGEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1cc(C#N)ccc1C(F)(F)F ZINC000821613695 607496249 /nfs/dbraw/zinc/49/62/49/607496249.db2.gz ZBZQPZPENBQIJI-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1cc(C#N)ccc1C(F)(F)F ZINC000821613695 607496250 /nfs/dbraw/zinc/49/62/50/607496250.db2.gz ZBZQPZPENBQIJI-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM N#CC(C(=O)CCCCNC(=O)[O-])c1nc2ccccc2n1C(F)F ZINC000833961612 605909163 /nfs/dbraw/zinc/90/91/63/605909163.db2.gz RXTUNORFZQOOMD-SNVBAGLBSA-N -1 3 350.325 3.046 20 30 FGEDHM Cc1ccccc1N=C1NC(=O)C(=Cc2cc(-c3nnn[n-]3)cs2)S1 ZINC000822361713 606304252 /nfs/dbraw/zinc/30/42/52/606304252.db2.gz HIESZGYFNSFPFG-NTUHNPAUSA-N -1 3 368.447 3.128 20 30 FGEDHM Cc1ccccc1N=C1NC(=O)C(=Cc2cc(-c3nn[n-]n3)cs2)S1 ZINC000822361713 606304254 /nfs/dbraw/zinc/30/42/54/606304254.db2.gz HIESZGYFNSFPFG-NTUHNPAUSA-N -1 3 368.447 3.128 20 30 FGEDHM COc1cc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000821708488 606339277 /nfs/dbraw/zinc/33/92/77/606339277.db2.gz QVGZIHUXBWKWIM-HJWRWDBZSA-N -1 3 350.378 3.088 20 30 FGEDHM COc1cc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000821708488 606339278 /nfs/dbraw/zinc/33/92/78/606339278.db2.gz QVGZIHUXBWKWIM-HJWRWDBZSA-N -1 3 350.378 3.088 20 30 FGEDHM Cc1nccn1-c1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822478572 606340028 /nfs/dbraw/zinc/34/00/28/606340028.db2.gz ULPAJNKUDSCGFI-YHYXMXQVSA-N -1 3 356.389 3.257 20 30 FGEDHM N#Cc1ccc(NC(=O)c2ccc(Oc3ccccc3)o2)cc1-c1nnn[n-]1 ZINC000822829724 606373085 /nfs/dbraw/zinc/37/30/85/606373085.db2.gz GGINXKYTBLWKQC-UHFFFAOYSA-N -1 3 372.344 3.376 20 30 FGEDHM N#Cc1ccc(NC(=O)c2ccc(Oc3ccccc3)o2)cc1-c1nn[n-]n1 ZINC000822829724 606373086 /nfs/dbraw/zinc/37/30/86/606373086.db2.gz GGINXKYTBLWKQC-UHFFFAOYSA-N -1 3 372.344 3.376 20 30 FGEDHM C#CCN(CC)C(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819697880 606436525 /nfs/dbraw/zinc/43/65/25/606436525.db2.gz NBLHDKVDPVIKEL-UHFFFAOYSA-N -1 3 362.393 3.146 20 30 FGEDHM C#CCN(CC)C(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819697880 606436527 /nfs/dbraw/zinc/43/65/27/606436527.db2.gz NBLHDKVDPVIKEL-UHFFFAOYSA-N -1 3 362.393 3.146 20 30 FGEDHM Cc1cc(C#N)ccc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822162253 606594781 /nfs/dbraw/zinc/59/47/81/606594781.db2.gz ZMJQMRHGJGSYCY-UHFFFAOYSA-N -1 3 357.320 3.227 20 30 FGEDHM Cc1cc(C#N)ccc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822162253 606594783 /nfs/dbraw/zinc/59/47/83/606594783.db2.gz ZMJQMRHGJGSYCY-UHFFFAOYSA-N -1 3 357.320 3.227 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC[C@@H]1CC ZINC000819743200 606837467 /nfs/dbraw/zinc/83/74/67/606837467.db2.gz FMGPMNUMZIPQQD-RDJZCZTQSA-N -1 3 354.458 3.143 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC[C@@H]1CC ZINC000819743200 606837469 /nfs/dbraw/zinc/83/74/69/606837469.db2.gz FMGPMNUMZIPQQD-RDJZCZTQSA-N -1 3 354.458 3.143 20 30 FGEDHM CCc1nnc(Oc2ccc(-c3nnn[n-]3)cc2Cl)c(C#N)c1CC ZINC000821547993 606909950 /nfs/dbraw/zinc/90/99/50/606909950.db2.gz FRIWKWOSSDRFJF-UHFFFAOYSA-N -1 3 355.789 3.099 20 30 FGEDHM CCc1nnc(Oc2ccc(-c3nn[n-]n3)cc2Cl)c(C#N)c1CC ZINC000821547993 606909951 /nfs/dbraw/zinc/90/99/51/606909951.db2.gz FRIWKWOSSDRFJF-UHFFFAOYSA-N -1 3 355.789 3.099 20 30 FGEDHM Cc1ccc(C#N)cc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822224840 607028319 /nfs/dbraw/zinc/02/83/19/607028319.db2.gz CISFKDZZUWPXDS-UHFFFAOYSA-N -1 3 357.320 3.227 20 30 FGEDHM Cc1ccc(C#N)cc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822224840 607028321 /nfs/dbraw/zinc/02/83/21/607028321.db2.gz CISFKDZZUWPXDS-UHFFFAOYSA-N -1 3 357.320 3.227 20 30 FGEDHM N#Cc1cc(Br)ccc1OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822819614 607042140 /nfs/dbraw/zinc/04/21/40/607042140.db2.gz YHFPKQRPHDWTCX-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM N#Cc1cc(Br)ccc1OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822819614 607042142 /nfs/dbraw/zinc/04/21/42/607042142.db2.gz YHFPKQRPHDWTCX-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(CC)c(CC)o1 ZINC000819745557 607150133 /nfs/dbraw/zinc/15/01/33/607150133.db2.gz JMEHYIYTJHTAFC-UHFFFAOYSA-N -1 3 365.437 3.413 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(CC)c(CC)o1 ZINC000819745557 607150135 /nfs/dbraw/zinc/15/01/35/607150135.db2.gz JMEHYIYTJHTAFC-UHFFFAOYSA-N -1 3 365.437 3.413 20 30 FGEDHM CCCCCCCC(=O)NCc1nc(-c2cccc(-c3nnn[n-]3)c2)c[nH]1 ZINC000821050884 607189267 /nfs/dbraw/zinc/18/92/67/607189267.db2.gz VCSDHIVDCXRIMM-UHFFFAOYSA-N -1 3 367.457 3.234 20 30 FGEDHM CCCCCCCC(=O)NCc1nc(-c2cccc(-c3nn[n-]n3)c2)c[nH]1 ZINC000821050884 607189268 /nfs/dbraw/zinc/18/92/68/607189268.db2.gz VCSDHIVDCXRIMM-UHFFFAOYSA-N -1 3 367.457 3.234 20 30 FGEDHM Fc1cccc(Cl)c1CCC=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826377584 607890389 /nfs/dbraw/zinc/89/03/89/607890389.db2.gz XVHHFPFLEBIETI-UHFFFAOYSA-N -1 3 358.808 3.367 20 30 FGEDHM Fc1cccc(Cl)c1CCC=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826377584 607890390 /nfs/dbraw/zinc/89/03/90/607890390.db2.gz XVHHFPFLEBIETI-UHFFFAOYSA-N -1 3 358.808 3.367 20 30 FGEDHM Fc1ccc(Br)c(C=NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826373421 608054283 /nfs/dbraw/zinc/05/42/83/608054283.db2.gz LOVUWZACMCDKIV-UHFFFAOYSA-N -1 3 361.178 3.214 20 30 FGEDHM C#C[C@H](OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C1CC1 ZINC000823838337 608454672 /nfs/dbraw/zinc/45/46/72/608454672.db2.gz OHVSAAGJCCOZRE-IBGZPJMESA-N -1 3 374.400 3.014 20 30 FGEDHM C#C[C@H](OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C1CC1 ZINC000823838337 608454674 /nfs/dbraw/zinc/45/46/74/608454674.db2.gz OHVSAAGJCCOZRE-IBGZPJMESA-N -1 3 374.400 3.014 20 30 FGEDHM Fc1cc(C=NNc2cc(-c3nn[n-]n3)cc(Cl)n2)c2ncccc2c1 ZINC000826372012 608534889 /nfs/dbraw/zinc/53/48/89/608534889.db2.gz CSLGZFHWPIWQEI-UHFFFAOYSA-N -1 3 368.763 3.048 20 30 FGEDHM Fc1ccc2c(c1)CCCC2N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826375811 608541585 /nfs/dbraw/zinc/54/15/85/608541585.db2.gz CMRBIHCZFCEJGK-UHFFFAOYSA-N -1 3 357.780 3.207 20 30 FGEDHM Fc1ccc2c(c1)CCCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826375811 608541586 /nfs/dbraw/zinc/54/15/86/608541586.db2.gz CMRBIHCZFCEJGK-UHFFFAOYSA-N -1 3 357.780 3.207 20 30 FGEDHM Fc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)ccc1Cl ZINC000826372242 608541898 /nfs/dbraw/zinc/54/18/98/608541898.db2.gz NXQOZDIXRBUWSV-UHFFFAOYSA-N -1 3 352.160 3.154 20 30 FGEDHM Fc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)ccc1Cl ZINC000826372242 608541899 /nfs/dbraw/zinc/54/18/99/608541899.db2.gz NXQOZDIXRBUWSV-UHFFFAOYSA-N -1 3 352.160 3.154 20 30 FGEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000826211988 608879391 /nfs/dbraw/zinc/87/93/91/608879391.db2.gz CJXBPSNCLTWHHV-JYRVWZFOSA-N -1 3 350.353 3.227 20 30 FGEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000826211988 608879393 /nfs/dbraw/zinc/87/93/93/608879393.db2.gz CJXBPSNCLTWHHV-JYRVWZFOSA-N -1 3 350.353 3.227 20 30 FGEDHM O=C(C=Cc1nc2c(s1)CCCC2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403392 609133094 /nfs/dbraw/zinc/13/30/94/609133094.db2.gz QTAFYSPVYLSESC-FPLPWBNLSA-N -1 3 355.398 3.237 20 30 FGEDHM O=C(C=Cc1nc2c(s1)CCCC2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403392 609133095 /nfs/dbraw/zinc/13/30/95/609133095.db2.gz QTAFYSPVYLSESC-FPLPWBNLSA-N -1 3 355.398 3.237 20 30 FGEDHM CC(N=Nc1nccc2sccc21)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962160 609159874 /nfs/dbraw/zinc/15/98/74/609159874.db2.gz GPEURZXTJITQNV-UHFFFAOYSA-N -1 3 353.386 3.452 20 30 FGEDHM CC(N=Nc1nccc2sccc21)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962160 609159875 /nfs/dbraw/zinc/15/98/75/609159875.db2.gz GPEURZXTJITQNV-UHFFFAOYSA-N -1 3 353.386 3.452 20 30 FGEDHM O=C(C=Cc1cnn(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402870 609271441 /nfs/dbraw/zinc/27/14/41/609271441.db2.gz DSBPHLMHHLTINZ-RMKNXTFCSA-N -1 3 360.352 3.088 20 30 FGEDHM O=C(C=Cc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402870 609271443 /nfs/dbraw/zinc/27/14/43/609271443.db2.gz DSBPHLMHHLTINZ-RMKNXTFCSA-N -1 3 360.352 3.088 20 30 FGEDHM N#Cc1ccc(COc2ccc(-c3nnn[n-]3)cc2F)c(Br)c1 ZINC000826384763 609311238 /nfs/dbraw/zinc/31/12/38/609311238.db2.gz IOMLXHSNJQYNAE-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM N#Cc1ccc(COc2ccc(-c3nn[n-]n3)cc2F)c(Br)c1 ZINC000826384763 609311239 /nfs/dbraw/zinc/31/12/39/609311239.db2.gz IOMLXHSNJQYNAE-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000826400306 609442455 /nfs/dbraw/zinc/44/24/55/609442455.db2.gz VDUQKCBQUOKZIM-ZZXKWVIFSA-N -1 3 373.731 3.464 20 30 FGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000826400306 609442457 /nfs/dbraw/zinc/44/24/57/609442457.db2.gz VDUQKCBQUOKZIM-ZZXKWVIFSA-N -1 3 373.731 3.464 20 30 FGEDHM N#CCc1ccc(COc2ccc(Br)cc2-c2nnn[n-]2)cc1 ZINC000826382480 609491145 /nfs/dbraw/zinc/49/11/45/609491145.db2.gz GSAPMKDKZMOHKO-UHFFFAOYSA-N -1 3 370.210 3.274 20 30 FGEDHM N#CCc1ccc(COc2ccc(Br)cc2-c2nn[n-]n2)cc1 ZINC000826382480 609491146 /nfs/dbraw/zinc/49/11/46/609491146.db2.gz GSAPMKDKZMOHKO-UHFFFAOYSA-N -1 3 370.210 3.274 20 30 FGEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc(Cn3cncn3)cc2)n1 ZINC000080452472 700317609 /nfs/dbraw/zinc/31/76/09/700317609.db2.gz HEWQFOHEAMWGQO-OAHLLOKOSA-N -1 3 351.435 3.396 20 30 FGEDHM N#CCOc1ccc(CC(=O)Nc2ccc(Br)cc2[O-])cc1 ZINC000110628724 700542891 /nfs/dbraw/zinc/54/28/91/700542891.db2.gz DGYXPHMKHOTDCK-UHFFFAOYSA-N -1 3 361.195 3.238 20 30 FGEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1ccc(C#N)nc1 ZINC000115904941 700588442 /nfs/dbraw/zinc/58/84/42/700588442.db2.gz ILXNKZGLTSTAKK-CQSZACIVSA-N -1 3 359.172 3.221 20 30 FGEDHM O=S1(=O)C[C@@H](/N=C/c2cc(Br)ccc2[O-])c2ccccc21 ZINC000158259287 705179406 /nfs/dbraw/zinc/17/94/06/705179406.db2.gz AOOUWLUIVKVKPO-QOSBVPTNSA-N -1 3 366.236 3.102 20 30 FGEDHM CC(C)(C)OC(=O)NCc1nc(C([O-])=C(C#N)c2ccccn2)cs1 ZINC000171960002 705402436 /nfs/dbraw/zinc/40/24/36/705402436.db2.gz GRJDHDWXQYPDBR-NSHDSACASA-N -1 3 358.423 3.053 20 30 FGEDHM COC(=O)COc1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000255299611 713690089 /nfs/dbraw/zinc/69/00/89/713690089.db2.gz QJCLRZMFOVDHCD-UHFFFAOYSA-N -1 3 364.195 3.457 20 30 FGEDHM [O-]c1ccc(Br)cc1/C=N\[C@H]1CCCN(c2ncccn2)C1 ZINC000255696007 713704580 /nfs/dbraw/zinc/70/45/80/713704580.db2.gz SBISRCRJPORKSU-FHOUHHFSSA-N -1 3 361.243 3.033 20 30 FGEDHM N#CC1(CS(=O)(=O)[N-]CC(=O)c2cccc(F)c2Cl)CCCCC1 ZINC000625499153 715741286 /nfs/dbraw/zinc/74/12/86/715741286.db2.gz GITAAJJQRISLAZ-UHFFFAOYSA-N -1 3 372.849 3.055 20 30 FGEDHM COc1ccc(N[C@@H](C)c2ccc(C#N)cc2F)cc1[N-]S(C)(=O)=O ZINC000781420287 724563187 /nfs/dbraw/zinc/56/31/87/724563187.db2.gz BNKZEZSNKKQBFG-NSHDSACASA-N -1 3 363.414 3.251 20 30 FGEDHM COc1ccc(C/N=C\c2c([O-])c(C)ncc2CO)c(C(F)(F)F)c1 ZINC000726428767 722434042 /nfs/dbraw/zinc/43/40/42/722434042.db2.gz DYXFQGRXEPZTPS-WNFQYIGGSA-N -1 3 354.328 3.234 20 30 FGEDHM Cc1ncc(CO)c(/C=N/Cc2ccc(Br)cc2F)c1[O-] ZINC000731937057 722479551 /nfs/dbraw/zinc/47/95/51/722479551.db2.gz GCJSCGPWXWIVJY-CNHKJKLMSA-N -1 3 353.191 3.109 20 30 FGEDHM COc1ccc(CN2CC[C@@H](/N=C\c3cc(Cl)ccc3[O-])C2=O)cc1 ZINC000734366022 722506511 /nfs/dbraw/zinc/50/65/11/722506511.db2.gz BRSXWRKPGQOKPO-BYINCCNUSA-N -1 3 358.825 3.274 20 30 FGEDHM [O-]c1ccc(Br)cc1/C=N/Cc1cccc(-n2cncn2)c1 ZINC000735414999 722516261 /nfs/dbraw/zinc/51/62/61/722516261.db2.gz PLACUPDCOIPWDT-GIJQJNRQSA-N -1 3 357.211 3.355 20 30 FGEDHM C[C@@]1(c2ccc(C(F)(F)F)cc2)[N-]C(=O)N(CC(F)(F)C(F)F)C1=O ZINC000736435929 722523247 /nfs/dbraw/zinc/52/32/47/722523247.db2.gz RNUDHJDEFQAMPH-LBPRGKRZSA-N -1 3 372.240 3.373 20 30 FGEDHM CCO[C@@H]1CC(=N[N-]S(=O)(=O)Cc2ccccc2)C12CCCCC2 ZINC000741461576 722546202 /nfs/dbraw/zinc/54/62/02/722546202.db2.gz LDNLXBSFUPVDQO-QGZVFWFLSA-N -1 3 350.484 3.221 20 30 FGEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1cc(F)ccc1F ZINC000751431067 722805891 /nfs/dbraw/zinc/80/58/91/722805891.db2.gz RSHHGVLBYZGDFB-OAHLLOKOSA-N -1 3 354.353 3.405 20 30 FGEDHM COC(=O)c1ccc(N=NC(C)c2ccc(Br)cc2[O-])nc1 ZINC000758127227 722984739 /nfs/dbraw/zinc/98/47/39/722984739.db2.gz QYOLWPRUOLXLFJ-UHFFFAOYSA-N -1 3 364.199 3.172 20 30 FGEDHM CC(C)Oc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)ccn1 ZINC000759832488 723023086 /nfs/dbraw/zinc/02/30/86/723023086.db2.gz DJYIKFRXYRYZEI-ZDUSSCGKSA-N -1 3 357.797 3.483 20 30 FGEDHM CC#CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000760289595 723047163 /nfs/dbraw/zinc/04/71/63/723047163.db2.gz LERPDRHDIPACAE-UHFFFAOYSA-N -1 3 361.394 3.197 20 30 FGEDHM CC(=NNCCOCC(F)(F)F)c1ccc(Br)cc1[O-] ZINC000765594297 723526463 /nfs/dbraw/zinc/52/64/63/723526463.db2.gz UUVBEZBVVUYAOF-UHFFFAOYSA-N -1 3 355.154 3.047 20 30 FGEDHM CN(C)c1ccc(NC(=S)NN=Cc2c(F)ccc([O-])c2F)cc1 ZINC000794507863 723528615 /nfs/dbraw/zinc/52/86/15/723528615.db2.gz ODVNSSSMAZLKNP-UHFFFAOYSA-N -1 3 350.394 3.057 20 30 FGEDHM CS(=O)(=O)c1ccc(C(=O)/C=C\c2c(F)ccc([O-])c2F)cc1F ZINC000794942585 723552519 /nfs/dbraw/zinc/55/25/19/723552519.db2.gz PAHUIVAUAFSITD-HYXAFXHYSA-N -1 3 356.321 3.109 20 30 FGEDHM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000796095303 723620571 /nfs/dbraw/zinc/62/05/71/723620571.db2.gz FHPXAWXWUIFIRW-CYBMUJFWSA-N -1 3 353.365 3.017 20 30 FGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000798468362 723934846 /nfs/dbraw/zinc/93/48/46/723934846.db2.gz NCWJBZGMZVGOAK-SECBINFHSA-N -1 3 366.266 3.413 20 30 FGEDHM C#C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(C)C ZINC000798472375 723935306 /nfs/dbraw/zinc/93/53/06/723935306.db2.gz LHYNNJPJNZCKFH-LLVKDONJSA-N -1 3 350.665 3.039 20 30 FGEDHM N#CCCN(C(=O)COC(=O)c1cccc(Cl)c1[O-])c1ccccc1 ZINC000775934659 724086176 /nfs/dbraw/zinc/08/61/76/724086176.db2.gz ZELPZPYDITZHHO-UHFFFAOYSA-N -1 3 358.781 3.149 20 30 FGEDHM C=CCCC[C@@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000776014884 724097986 /nfs/dbraw/zinc/09/79/86/724097986.db2.gz DAKIWDIVMFLGBC-CYBMUJFWSA-N -1 3 370.490 3.377 20 30 FGEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000801833116 724338211 /nfs/dbraw/zinc/33/82/11/724338211.db2.gz ASWLFQCWSFEHJO-SSDOTTSWSA-N -1 3 356.201 3.492 20 30 FGEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000801833116 724338216 /nfs/dbraw/zinc/33/82/16/724338216.db2.gz ASWLFQCWSFEHJO-SSDOTTSWSA-N -1 3 356.201 3.492 20 30 FGEDHM N#Cc1ccsc1NC(=O)COC(=O)c1cc2sccc2c([O-])c1 ZINC000786137316 724962289 /nfs/dbraw/zinc/96/22/89/724962289.db2.gz KZJLPPWUWWIFLA-UHFFFAOYSA-N -1 3 358.400 3.336 20 30 FGEDHM C#CCN1CCC(C(=O)Nc2c([O-])cc(Br)cc2Cl)CC1 ZINC000808112994 725184190 /nfs/dbraw/zinc/18/41/90/725184190.db2.gz SLPNAIBBSIYUQW-UHFFFAOYSA-N -1 3 371.662 3.092 20 30 FGEDHM C=CCCCCCCNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811917567 725384846 /nfs/dbraw/zinc/38/48/46/725384846.db2.gz HMRYTJBDDOIEJL-CQSZACIVSA-N -1 3 363.424 3.223 20 30 FGEDHM CC(=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1cc[nH]n1 ZINC000814829695 727004080 /nfs/dbraw/zinc/00/40/80/727004080.db2.gz GJRIVUNSDDYNJM-UHFFFAOYSA-N -1 3 355.423 3.047 20 30 FGEDHM Cc1cc(C#N)cnc1C([O-])=C(C#N)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000815908853 727106349 /nfs/dbraw/zinc/10/63/49/727106349.db2.gz KXBCOZGQVKOZAF-GFCCVEGCSA-N -1 3 356.744 3.015 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC[C@]1(C)C[C@]1(F)Cl ZINC000822068141 729144625 /nfs/dbraw/zinc/14/46/25/729144625.db2.gz LEVYGCGPYHQERM-IAGOWNOFSA-N -1 3 354.809 3.456 20 30 FGEDHM N#Cc1c(Cl)cccc1SCC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826382915 729407596 /nfs/dbraw/zinc/40/75/96/729407596.db2.gz ANDHXTHLNJXXQS-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1c(Cl)cccc1SCC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826382915 729407597 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C=CCOc1c(Cl)cc(CN[C@@H](CC(F)(F)F)C(=O)[O-])cc1OC ZINC000864511102 733069931 /nfs/dbraw/zinc/06/99/31/733069931.db2.gz NZXMZWPSIXQUPX-NSHDSACASA-N -1 3 367.751 3.409 20 30 FGEDHM C[C@@H]1CCn2cc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)nc2C1 ZINC000870138005 733815134 /nfs/dbraw/zinc/81/51/34/733815134.db2.gz ABYHWSHTKSYNDF-NEPJUHHUSA-N -1 3 356.813 3.080 20 30 FGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccsc1COC ZINC000870140087 733815507 /nfs/dbraw/zinc/81/55/07/733815507.db2.gz DUOJFHYLVFCFRK-CYBMUJFWSA-N -1 3 358.419 3.254 20 30 FGEDHM CCCCCCCCc1nnc([N-]C(=O)c2cn(C)nc2OC)s1 ZINC000883958528 737619941 /nfs/dbraw/zinc/61/99/41/737619941.db2.gz VXWJSLOKSWTIEZ-UHFFFAOYSA-N -1 3 351.476 3.436 20 30 FGEDHM O=C1[C@H](NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)CCCN1[O-] ZINC000895165892 742383288 /nfs/dbraw/zinc/38/32/88/742383288.db2.gz NRJOEZWGBAJWQB-CYBMUJFWSA-N -1 3 371.384 3.299 20 30 FGEDHM C=C1CC(c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Cl)cc3)n2)C1 ZINC000896891067 742612662 /nfs/dbraw/zinc/61/26/62/742612662.db2.gz 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ZINC000915924499 758004357 /nfs/dbraw/zinc/00/43/57/758004357.db2.gz NIBVPMWBDRUGCR-UHFFFAOYSA-N -1 3 363.870 3.443 20 30 FGEDHM COc1cc(C=NN2C(=S)N=NC2c2ccco2)cc(Cl)c1[O-] ZINC000916314242 758070163 /nfs/dbraw/zinc/07/01/63/758070163.db2.gz QUHIHHUUCDNZHD-UHFFFAOYSA-N -1 3 350.787 3.077 20 30 FGEDHM Fc1cccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)c1 ZINC000916320538 758071114 /nfs/dbraw/zinc/07/11/14/758071114.db2.gz AHIZYKNAJABQCK-OAHLLOKOSA-N -1 3 356.382 3.101 20 30 FGEDHM N#C[C@H](NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CCCC1 ZINC000921544628 758740164 /nfs/dbraw/zinc/74/01/64/758740164.db2.gz SZOWIYHLFXOFNF-HNNXBMFYSA-N -1 3 374.238 3.103 20 30 FGEDHM C=C(Cl)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1ccccc1[O-])C2 ZINC001001422480 765287136 /nfs/dbraw/zinc/28/71/36/765287136.db2.gz UMSAZCPFADYIAD-YUELXQCFSA-N -1 3 362.857 3.033 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CSc2ccccc21 ZINC000571155683 505666521 /nfs/dbraw/zinc/66/65/21/505666521.db2.gz CKMPAOMBYYLBOF-AWEZNQCLSA-N -1 3 367.474 3.214 20 30 FGEDHM O=C(CNC(=O)CC1CCCCC1)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000076687385 493950740 /nfs/dbraw/zinc/95/07/40/493950740.db2.gz KXARCMYQWXPJRT-UHFFFAOYSA-N -1 3 359.405 3.285 20 30 FGEDHM N#CC(=C([O-])c1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccccn1 ZINC000051898253 493993479 /nfs/dbraw/zinc/99/34/79/493993479.db2.gz YSIBONPVIWRGIO-QGZVFWFLSA-N -1 3 354.431 3.288 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1 ZINC000007405267 494020584 /nfs/dbraw/zinc/02/05/84/494020584.db2.gz AIQSEWTWDQBYNK-UHFFFAOYSA-N -1 3 355.188 3.261 20 30 FGEDHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)Oc3ccccc3C#N)c2)n1 ZINC000053469928 494135947 /nfs/dbraw/zinc/13/59/47/494135947.db2.gz KWEJYIDUWOHAJJ-AWEZNQCLSA-N -1 3 374.400 3.023 20 30 FGEDHM N#CC(=C([O-])c1c[nH]c(C(=O)N2CCCC2)c1)c1ccc2ccccc2n1 ZINC000054430239 494235028 /nfs/dbraw/zinc/23/50/28/494235028.db2.gz UWCKCYIYAOSMHG-INIZCTEOSA-N -1 3 358.401 3.289 20 30 FGEDHM CCOc1cccc2c1OCC(C(=O)Nc1nnc(-c3ccccn3)[n-]1)=C2 ZINC000065880156 494250415 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C[C@H]([N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1)c1nc2c(s1)CCC2 ZINC000574260574 505733000 /nfs/dbraw/zinc/73/30/00/505733000.db2.gz MOMFUSGUGMSFCO-VIFPVBQESA-N -1 3 367.883 3.196 20 30 FGEDHM Cn1c(C(C#N)=C([O-])c2cnn(-c3ccccc3F)c2)nc2ccccc21 ZINC000126213133 494674311 /nfs/dbraw/zinc/67/43/11/494674311.db2.gz MCCFYXCVPIPTER-CQSZACIVSA-N -1 3 359.364 3.388 20 30 FGEDHM Cc1ccc(OC(F)F)c(C[N-]S(=O)(=O)c2ccc(F)cc2C#N)c1 ZINC000126234659 494681587 /nfs/dbraw/zinc/68/15/87/494681587.db2.gz POOHJRAPGYMYSW-UHFFFAOYSA-N -1 3 370.352 3.086 20 30 FGEDHM COc1cc(C)ccc1C[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000126343212 494718100 /nfs/dbraw/zinc/71/81/00/494718100.db2.gz AXFFQJSLXGFXJB-UHFFFAOYSA-N -1 3 350.827 3.007 20 30 FGEDHM COc1cc(C(=O)[N-]c2nn(C(C)C)cc2C#N)sc1Br ZINC000127543192 494959434 /nfs/dbraw/zinc/95/94/34/494959434.db2.gz AYCLZZGDOGURIH-UHFFFAOYSA-N -1 3 369.244 3.421 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000110577510 494990842 /nfs/dbraw/zinc/99/08/42/494990842.db2.gz OAZIHOGQIDDAEU-QUCCMNQESA-N -1 3 363.461 3.249 20 30 FGEDHM Cc1nc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)sc1SCC#N ZINC000127858442 495008834 /nfs/dbraw/zinc/00/88/34/495008834.db2.gz FDKCXOFGNVNNNZ-UHFFFAOYSA-N -1 3 374.407 3.104 20 30 FGEDHM N#Cc1ccc(Cl)c([N-]S(=O)(=O)c2cncc(Br)c2)c1 ZINC000127894611 495014617 /nfs/dbraw/zinc/01/46/17/495014617.db2.gz RBPAIDRDWGEZHB-UHFFFAOYSA-N -1 3 372.631 3.170 20 30 FGEDHM CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1c(C)noc1C ZINC000119252880 495127920 /nfs/dbraw/zinc/12/79/20/495127920.db2.gz ZYPCJZXITWITKE-AWEZNQCLSA-N -1 3 353.831 3.246 20 30 FGEDHM Cc1ccc(C([O-])=C(C#N)c2ccccn2)cc1I ZINC000102816634 495163895 /nfs/dbraw/zinc/16/38/95/495163895.db2.gz VSMDEOOQGMHJKD-GFCCVEGCSA-N -1 3 362.170 3.485 20 30 FGEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1cc(F)ccc1Br ZINC000130500883 495402059 /nfs/dbraw/zinc/40/20/59/495402059.db2.gz GTBNVBJLWLZFMP-UHFFFAOYSA-N -1 3 355.188 3.261 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000106161381 495422001 /nfs/dbraw/zinc/42/20/01/495422001.db2.gz GJLSDSUEMBZSBY-FQEVSTJZSA-N -1 3 365.477 3.352 20 30 FGEDHM C=CCCCCCN(C)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[n-]1 ZINC000150884295 495667356 /nfs/dbraw/zinc/66/73/56/495667356.db2.gz LWOOMBGQYQCYJM-UHFFFAOYSA-N -1 3 363.483 3.258 20 30 FGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000159831749 495819021 /nfs/dbraw/zinc/81/90/21/495819021.db2.gz KIEZVGUEPYAYHK-KDOFPFPSSA-N -1 3 374.437 3.144 20 30 FGEDHM CC(C)OC1CCC([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC000180196952 495901268 /nfs/dbraw/zinc/90/12/68/495901268.db2.gz SUXSOSHNAWGGJL-UHFFFAOYSA-N -1 3 356.875 3.226 20 30 FGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1COc2ccccc21 ZINC000180208982 495907509 /nfs/dbraw/zinc/90/75/09/495907509.db2.gz PLTYCGXYMVPGJZ-RISCZKNCSA-N -1 3 362.838 3.055 20 30 FGEDHM CC#CCCCC(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O ZINC000186257321 495917418 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FGEDHM Cc1cccc(NC(=O)C(C#N)Cn2[n-]c(C(F)(F)F)cc2=O)c1C ZINC000153575218 496504428 /nfs/dbraw/zinc/50/44/28/496504428.db2.gz CUYSKRTVQRPTAR-NSHDSACASA-N -1 3 352.316 3.003 20 30 FGEDHM C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cnc2c(cnn2C)c1[O-] ZINC000181980280 496622288 /nfs/dbraw/zinc/62/22/88/496622288.db2.gz ONQDCVAFLCTEIE-NSHDSACASA-N -1 3 367.434 3.320 20 30 FGEDHM CCO[C@@H]1C[C@H](/N=C/c2cc(Br)ccc2[O-])[C@]12CCCO2 ZINC000273473613 496816028 /nfs/dbraw/zinc/81/60/28/496816028.db2.gz HKDFLWXJHHVXLN-JWOSTGPPSA-N -1 3 354.244 3.300 20 30 FGEDHM CCO[C@@H]1C[C@@H](/N=C/c2cc(Br)ccc2[O-])[C@]12CCCO2 ZINC000273473612 496816708 /nfs/dbraw/zinc/81/67/08/496816708.db2.gz HKDFLWXJHHVXLN-FWNUPQRCSA-N -1 3 354.244 3.300 20 30 FGEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000578148987 505872947 /nfs/dbraw/zinc/87/29/47/505872947.db2.gz ATEQSUWKCVGDEX-QMMMGPOBSA-N -1 3 351.653 3.073 20 30 FGEDHM N#CC1(NC(=O)c2ccc(C(=O)c3cccc([O-])c3)cc2)CCSCC1 ZINC000188914147 496945891 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N#Cc1ccc(S(=O)(=O)[N-]CCCCc2ccc(F)c(F)c2)s1 ZINC000435431717 500974839 /nfs/dbraw/zinc/97/48/39/500974839.db2.gz FPKAPXVGCXXSKN-UHFFFAOYSA-N -1 3 356.419 3.199 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000435444904 500978816 /nfs/dbraw/zinc/97/88/16/500978816.db2.gz BKAFLCBJQGDYGN-ZJUUUORDSA-N -1 3 352.403 3.267 20 30 FGEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000435590256 500996870 /nfs/dbraw/zinc/99/68/70/500996870.db2.gz VOZVBIGXWXKUAS-IINYFYTJSA-N -1 3 367.364 3.104 20 30 FGEDHM C=CCn1c(S[C@H](Cc2cccc(Cl)c2F)C(C)=O)n[n-]c1=O ZINC000436213542 501090356 /nfs/dbraw/zinc/09/03/56/501090356.db2.gz ZGAMYXTXAHWOCQ-GFCCVEGCSA-N -1 3 355.822 3.255 20 30 FGEDHM N#CCC1(CS(=O)(=O)[N-]Cc2nc(-c3ccccc3F)cs2)CC1 ZINC000451472080 501300501 /nfs/dbraw/zinc/30/05/01/501300501.db2.gz JTEXJZLUVHEFGR-UHFFFAOYSA-N -1 3 365.455 3.062 20 30 FGEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000451814221 501378232 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FGEDHM N#Cc1c2c(sc1[N-]C(=O)c1cn([C@H]3CCOC3)nn1)CCCCCC2 ZINC000485592260 501871207 /nfs/dbraw/zinc/87/12/07/501871207.db2.gz VNWPWOHUSPHQTM-LBPRGKRZSA-N -1 3 371.466 3.084 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCCc1ccccc1F ZINC000478155273 501895694 /nfs/dbraw/zinc/89/56/94/501895694.db2.gz XDYFREWVZZTFFX-UHFFFAOYSA-N -1 3 355.413 3.096 20 30 FGEDHM C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000467995197 501924679 /nfs/dbraw/zinc/92/46/79/501924679.db2.gz QFVFAMXLUHKDNC-UHFFFAOYSA-N -1 3 371.389 3.395 20 30 FGEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)c1n[n-]c2ccc([N+](=O)[O-])cc21 ZINC000468191805 501983494 /nfs/dbraw/zinc/98/34/94/501983494.db2.gz KBBRFGRWQDNTGN-UHFFFAOYSA-N -1 3 352.354 3.152 20 30 FGEDHM N#CC(=C([O-])c1ccnc(-n2cccn2)c1)c1cc(C(F)(F)F)ccn1 ZINC000464479023 502001106 /nfs/dbraw/zinc/00/11/06/502001106.db2.gz VPNOMBIKTKMLSN-ZDUSSCGKSA-N -1 3 357.295 3.171 20 30 FGEDHM CC(C)C[C@@H]1OCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000478781962 502084195 /nfs/dbraw/zinc/08/41/95/502084195.db2.gz LSWKPFILSOJCEC-GJZGRUSLSA-N -1 3 356.875 3.084 20 30 FGEDHM C=C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000465108795 502193100 /nfs/dbraw/zinc/19/31/00/502193100.db2.gz MJWUGBIINWDHRY-GFCCVEGCSA-N -1 3 364.854 3.445 20 30 FGEDHM CSc1ccc(F)cc1CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000465216508 502217211 /nfs/dbraw/zinc/21/72/11/502217211.db2.gz OAEXKSKMIZXPJJ-UHFFFAOYSA-N -1 3 373.453 3.386 20 30 FGEDHM CC(C)Oc1ccccc1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475577703 502217687 /nfs/dbraw/zinc/21/76/87/502217687.db2.gz GVKGLUBVXRTIRD-UHFFFAOYSA-N -1 3 364.854 3.477 20 30 FGEDHM CC(C)(C)[C@H]1OCCC[C@H]1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475818408 502300098 /nfs/dbraw/zinc/30/00/98/502300098.db2.gz KUVAAKMMERTDGT-BBRMVZONSA-N -1 3 370.902 3.331 20 30 FGEDHM C[C@H]1Oc2c(cccc2C([O-])=C(C#N)c2nccc3ccccc32)NC1=O ZINC000483214112 502315329 /nfs/dbraw/zinc/31/53/29/502315329.db2.gz DHLMRNVWKZWQLR-WBMJQRKESA-N -1 3 357.369 3.444 20 30 FGEDHM CCCC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C1CCC1 ZINC000472334034 502319230 /nfs/dbraw/zinc/31/92/30/502319230.db2.gz GPVSKVUUOGHDMX-AWEZNQCLSA-N -1 3 351.428 3.104 20 30 FGEDHM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCO1 ZINC000479973591 502434789 /nfs/dbraw/zinc/43/47/89/502434789.db2.gz ZFAYIMGLXTXGOB-CVEARBPZSA-N -1 3 370.902 3.474 20 30 FGEDHM Cc1ccccc1O[C@H](C)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000476330266 502458311 /nfs/dbraw/zinc/45/83/11/502458311.db2.gz DXKHEIKFWZQISU-CYBMUJFWSA-N -1 3 364.854 3.266 20 30 FGEDHM CO[C@H](c1ccccc1F)[C@@H](C)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000476519927 502512566 /nfs/dbraw/zinc/51/25/66/502512566.db2.gz ZDIHQWVEDVJOGL-PBHICJAKSA-N -1 3 368.474 3.295 20 30 FGEDHM C=CCCN(C)C(=O)c1sccc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000466638748 502630081 /nfs/dbraw/zinc/63/00/81/502630081.db2.gz GJTCJDSLMGOEPX-UHFFFAOYSA-N -1 3 370.540 3.397 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C ZINC000477417503 502769513 /nfs/dbraw/zinc/76/95/13/502769513.db2.gz LPSYWJKDTODHET-WFASDCNBSA-N -1 3 369.387 3.398 20 30 FGEDHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000509581435 502940432 /nfs/dbraw/zinc/94/04/32/502940432.db2.gz ADHXJLAAIZFQIY-UHFFFAOYSA-N -1 3 354.403 3.037 20 30 FGEDHM CCC(CC)c1cc(C[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)on1 ZINC000489606048 502996383 /nfs/dbraw/zinc/99/63/83/502996383.db2.gz BWNXXGQGUHWTSE-UHFFFAOYSA-N -1 3 351.403 3.067 20 30 FGEDHM C=C(C)COCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000509932260 503013920 /nfs/dbraw/zinc/01/39/20/503013920.db2.gz TVSHJHGOSWGVTK-UHFFFAOYSA-N -1 3 357.781 3.230 20 30 FGEDHM COc1ccc(CS(=O)(=O)c2nc(C)c(-c3ccccc3)[n-]2)cc1C#N ZINC000490438508 503174346 /nfs/dbraw/zinc/17/43/46/503174346.db2.gz RTNGSPFBJYRCIB-UHFFFAOYSA-N -1 3 367.430 3.239 20 30 FGEDHM COc1ccc(CS(=O)(=O)c2nc(-c3ccccc3)c(C)[n-]2)cc1C#N ZINC000490438508 503174348 /nfs/dbraw/zinc/17/43/48/503174348.db2.gz RTNGSPFBJYRCIB-UHFFFAOYSA-N -1 3 367.430 3.239 20 30 FGEDHM C[C@H](Cc1ccccc1F)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503452611 503413131 /nfs/dbraw/zinc/41/31/31/503413131.db2.gz DAWOQTLCUHGYAT-LLVKDONJSA-N -1 3 352.818 3.260 20 30 FGEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(F)cc1 ZINC000503452201 503413163 /nfs/dbraw/zinc/41/31/63/503413163.db2.gz CIWDADRGVYEZSK-OAHLLOKOSA-N -1 3 368.817 3.017 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2c(F)cccc2F)c(Cl)c1 ZINC000503472361 503416834 /nfs/dbraw/zinc/41/68/34/503416834.db2.gz CZAFNYGNTRIUTE-HZMBPMFUSA-N -1 3 368.792 3.324 20 30 FGEDHM C=CCN(Cc1c(F)ccc([O-])c1F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000508353228 503480870 /nfs/dbraw/zinc/48/08/70/503480870.db2.gz AZWJBLLNQBNDJS-CYBMUJFWSA-N -1 3 371.391 3.395 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](c1ccccn1)C1CCC1 ZINC000529826689 503718764 /nfs/dbraw/zinc/71/87/64/503718764.db2.gz WEJUZRHHBVQBAI-HXUWFJFHSA-N -1 3 364.449 3.261 20 30 FGEDHM CCOC(=O)c1ccc(NC(=O)[C@@H](C#N)CCc2ccccc2)c([O-])c1 ZINC000537287617 503868661 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20 30 FGEDHM CC(=O)c1cc(F)cc(CNC2(c3ccc(C#N)cc3)CCOCC2)c1[O-] ZINC000528778300 504376648 /nfs/dbraw/zinc/37/66/48/504376648.db2.gz HYAYLPSRVOJAMU-UHFFFAOYSA-N -1 3 368.408 3.401 20 30 FGEDHM N#CC(=C([O-])c1ccc(OCc2ccccc2C#N)cc1)c1ccncn1 ZINC000545445972 504489562 /nfs/dbraw/zinc/48/95/62/504489562.db2.gz PHHAZRGYQOYWMD-IBGZPJMESA-N -1 3 354.369 3.417 20 30 FGEDHM C[C@@H](C#N)CSc1ccccc1[N-]C(=O)c1cc(Cn2cccn2)on1 ZINC000559648780 504904899 /nfs/dbraw/zinc/90/48/99/504904899.db2.gz FBZJJHPWXLBKNH-ZDUSSCGKSA-N -1 3 367.434 3.423 20 30 FGEDHM COc1ccc(-c2nsc([N-]C(=O)c3ncc(C#N)cc3C)n2)cc1 ZINC000559712330 504912832 /nfs/dbraw/zinc/91/28/32/504912832.db2.gz CIGIWRXPUIGXFN-UHFFFAOYSA-N -1 3 351.391 3.041 20 30 FGEDHM C[C@@H](NC1(C[N-]S(=O)(=O)c2ccc(C#N)o2)CCCC1)c1ccccc1 ZINC000553494492 504930698 /nfs/dbraw/zinc/93/06/98/504930698.db2.gz GBTSWZRYNVJKMJ-OAHLLOKOSA-N -1 3 373.478 3.093 20 30 FGEDHM N#C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2OCC2CCC2)C1 ZINC000565711495 504965775 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N#Cc1sccc1S(=O)(=O)[N-]C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000593537769 506676422 /nfs/dbraw/zinc/67/64/22/506676422.db2.gz NOHYWAVMHMBJHL-RHSMWYFYSA-N -1 3 362.476 3.066 20 30 FGEDHM COCCCC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccccc1 ZINC000593585349 506694236 /nfs/dbraw/zinc/69/42/36/506694236.db2.gz GLTGZVHPISVHCJ-HNNXBMFYSA-N -1 3 364.492 3.456 20 30 FGEDHM COC(=O)c1ccc(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[n-]1 ZINC000590069171 506724304 /nfs/dbraw/zinc/72/43/04/506724304.db2.gz FMBXPOFEJJTBNF-UHFFFAOYSA-N -1 3 362.345 3.113 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(F)(c2ccccc2F)C1 ZINC000590442467 506824073 /nfs/dbraw/zinc/82/40/73/506824073.db2.gz FSKDNTMIEKBXDI-UHFFFAOYSA-N -1 3 371.387 3.055 20 30 FGEDHM N#Cc1cc(Oc2ccc(NC(=O)c3cccc4nn[n-]c43)cc2)ccn1 ZINC000583541637 506836597 /nfs/dbraw/zinc/83/65/97/506836597.db2.gz XPMAGZAJGSARFF-UHFFFAOYSA-N -1 3 356.345 3.269 20 30 FGEDHM N#Cc1cc(Oc2ccc(NC(=O)c3cccc4[n-]nnc43)cc2)ccn1 ZINC000583541637 506836606 /nfs/dbraw/zinc/83/66/06/506836606.db2.gz XPMAGZAJGSARFF-UHFFFAOYSA-N -1 3 356.345 3.269 20 30 FGEDHM N#Cc1cc(Oc2ccc(NC(=O)c3cccc4n[n-]nc43)cc2)ccn1 ZINC000583541637 506836616 /nfs/dbraw/zinc/83/66/16/506836616.db2.gz XPMAGZAJGSARFF-UHFFFAOYSA-N -1 3 356.345 3.269 20 30 FGEDHM CCCNc1ccc(C#N)cc1[N-]S(=O)(=O)C[C@@H](OC)C1CCCC1 ZINC000594694599 507241809 /nfs/dbraw/zinc/24/18/09/507241809.db2.gz LKELZVDLCYPGKP-GOSISDBHSA-N -1 3 365.499 3.327 20 30 FGEDHM CC(C)(C)O[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)s2)C12CCC2 ZINC000594864971 507299465 /nfs/dbraw/zinc/29/94/65/507299465.db2.gz RCUZWCJSIGOBFD-OLZOCXBDSA-N -1 3 354.497 3.024 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000598305904 507369004 /nfs/dbraw/zinc/36/90/04/507369004.db2.gz LHCMFQGQGRKNBU-APWZRJJASA-N -1 3 371.481 3.016 20 30 FGEDHM N#CCCSc1ccccc1[N-]C(=O)c1cc(Cn2cccn2)on1 ZINC000584544248 507403540 /nfs/dbraw/zinc/40/35/40/507403540.db2.gz UGVDHUIYYHQHDV-UHFFFAOYSA-N -1 3 353.407 3.177 20 30 FGEDHM 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DMCPINOHTZMDGS-UHFFFAOYSA-N -1 3 350.382 3.466 20 30 FGEDHM C=C(C)COc1cccc(NC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735402013 598467595 /nfs/dbraw/zinc/46/75/95/598467595.db2.gz DMCPINOHTZMDGS-UHFFFAOYSA-N -1 3 350.382 3.466 20 30 FGEDHM Cc1ccc(C#N)cc1NC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000737305947 598476785 /nfs/dbraw/zinc/47/67/85/598476785.db2.gz LBJQXSNKTMBEMA-UHFFFAOYSA-N -1 3 373.420 3.243 20 30 FGEDHM Cc1ccc(C#N)cc1NC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000737305947 598476786 /nfs/dbraw/zinc/47/67/86/598476786.db2.gz LBJQXSNKTMBEMA-UHFFFAOYSA-N -1 3 373.420 3.243 20 30 FGEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735648311 598535666 /nfs/dbraw/zinc/53/56/66/598535666.db2.gz PNFRTVJWQISBMQ-SFHVURJKSA-N -1 3 374.448 3.088 20 30 FGEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735648311 598535667 /nfs/dbraw/zinc/53/56/67/598535667.db2.gz PNFRTVJWQISBMQ-SFHVURJKSA-N -1 3 374.448 3.088 20 30 FGEDHM 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/nfs/dbraw/zinc/47/91/91/606479191.db2.gz TVZXHOGAPUZALS-UHFFFAOYSA-N -1 3 370.463 3.195 20 30 FGEDHM O=C(c1cc(-c2nn[n-]n2)cs1)N1CCCSC1=Nc1ccccc1 ZINC000823472633 606479194 /nfs/dbraw/zinc/47/91/94/606479194.db2.gz TVZXHOGAPUZALS-UHFFFAOYSA-N -1 3 370.463 3.195 20 30 FGEDHM N#Cc1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)cc1F ZINC000822832766 606591667 /nfs/dbraw/zinc/59/16/67/606591667.db2.gz GAOAESGFQVRACE-UHFFFAOYSA-N -1 3 361.283 3.058 20 30 FGEDHM N#Cc1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)cc1F ZINC000822832766 606591669 /nfs/dbraw/zinc/59/16/69/606591669.db2.gz GAOAESGFQVRACE-UHFFFAOYSA-N -1 3 361.283 3.058 20 30 FGEDHM COc1ccc(-c2nnn[n-]2)cc1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000821765748 606638859 /nfs/dbraw/zinc/63/88/59/606638859.db2.gz JIPHSXIJHIXGPA-UHFFFAOYSA-N -1 3 373.338 3.358 20 30 FGEDHM COc1ccc(-c2nn[n-]n2)cc1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000821765748 606638860 /nfs/dbraw/zinc/63/88/60/606638860.db2.gz JIPHSXIJHIXGPA-UHFFFAOYSA-N -1 3 373.338 3.358 20 30 FGEDHM O=C1c2ccc(Br)cc2OC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000823503837 606764231 /nfs/dbraw/zinc/76/42/31/606764231.db2.gz JKYSFAFRZHNNCM-VGOFMYFVSA-N -1 3 369.178 3.245 20 30 FGEDHM O=C1c2ccc(Br)cc2OC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000823503837 606764232 /nfs/dbraw/zinc/76/42/32/606764232.db2.gz JKYSFAFRZHNNCM-VGOFMYFVSA-N -1 3 369.178 3.245 20 30 FGEDHM CCCC(C#N)(CCC)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000821007560 606820399 /nfs/dbraw/zinc/82/03/99/606820399.db2.gz ANKMPWNFELOPIQ-UHFFFAOYSA-N -1 3 372.498 3.079 20 30 FGEDHM CCCC(C#N)(CCC)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000821007560 606820400 /nfs/dbraw/zinc/82/04/00/606820400.db2.gz ANKMPWNFELOPIQ-UHFFFAOYSA-N -1 3 372.498 3.079 20 30 FGEDHM O=[N+]([O-])c1ccccc1CC(N=Nc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823647606 606836775 /nfs/dbraw/zinc/83/67/75/606836775.db2.gz NADSDUQMHDVSPJ-UHFFFAOYSA-N -1 3 363.381 3.196 20 30 FGEDHM O=[N+]([O-])c1ccccc1CC(N=Nc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823647606 606836776 /nfs/dbraw/zinc/83/67/76/606836776.db2.gz NADSDUQMHDVSPJ-UHFFFAOYSA-N -1 3 363.381 3.196 20 30 FGEDHM N#Cc1ccc(-c2ccn(CCCOc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000822822883 606840026 /nfs/dbraw/zinc/84/00/26/606840026.db2.gz GKNSGCOQZGKWJX-UHFFFAOYSA-N -1 3 371.404 3.071 20 30 FGEDHM N#Cc1ccc(-c2ccn(CCCOc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000822822883 606840028 /nfs/dbraw/zinc/84/00/28/606840028.db2.gz GKNSGCOQZGKWJX-UHFFFAOYSA-N -1 3 371.404 3.071 20 30 FGEDHM O=C(OCC#Cc1ccccc1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000823396642 606888794 /nfs/dbraw/zinc/88/87/94/606888794.db2.gz LXZGTSLEQCVLMO-UHFFFAOYSA-N -1 3 372.306 3.094 20 30 FGEDHM O=C(OCC#Cc1ccccc1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000823396642 606888796 /nfs/dbraw/zinc/88/87/96/606888796.db2.gz LXZGTSLEQCVLMO-UHFFFAOYSA-N -1 3 372.306 3.094 20 30 FGEDHM CCN(Cc1cc(F)ccc1C#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821222028 607057785 /nfs/dbraw/zinc/05/77/85/607057785.db2.gz NSCVEAJBFZZWLM-ZDUSSCGKSA-N -1 3 350.401 3.461 20 30 FGEDHM N#Cc1ccc(SCC(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000822833253 607191027 /nfs/dbraw/zinc/19/10/27/607191027.db2.gz MSJMJVJFPOUSRU-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1ccc(SCC(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000822833253 607191028 /nfs/dbraw/zinc/19/10/28/607191028.db2.gz MSJMJVJFPOUSRU-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM CCN(C(=O)c1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825380964 607877928 /nfs/dbraw/zinc/87/79/28/607877928.db2.gz XQTPKPIQHWRZPQ-UHFFFAOYSA-N -1 3 352.785 3.058 20 30 FGEDHM CCN(C(=O)c1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825380964 607877929 /nfs/dbraw/zinc/87/79/29/607877929.db2.gz XQTPKPIQHWRZPQ-UHFFFAOYSA-N -1 3 352.785 3.058 20 30 FGEDHM N#Cc1ccc(NN=Cc2ccccc2-c2nnn[n-]2)cc1C(F)(F)F ZINC000826385241 607888680 /nfs/dbraw/zinc/88/86/80/607888680.db2.gz CSAHLLKKXRIDKB-UHFFFAOYSA-N -1 3 357.299 3.203 20 30 FGEDHM N#Cc1ccc(NN=Cc2ccccc2-c2nn[n-]n2)cc1C(F)(F)F ZINC000826385241 607888681 /nfs/dbraw/zinc/88/86/81/607888681.db2.gz CSAHLLKKXRIDKB-UHFFFAOYSA-N -1 3 357.299 3.203 20 30 FGEDHM CC(=NNC(=S)Nc1cc(C)ccc1C)c1ccc(-c2nnn[n-]2)s1 ZINC000823953848 608091818 /nfs/dbraw/zinc/09/18/18/608091818.db2.gz SFEFVZFSKKZTIX-UHFFFAOYSA-N -1 3 371.495 3.256 20 30 FGEDHM CC(N=Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)s1 ZINC000823958281 608094591 /nfs/dbraw/zinc/09/45/91/608094591.db2.gz HGJYJERFYDTPCB-UHFFFAOYSA-N -1 3 363.790 3.326 20 30 FGEDHM CCN(C(=O)c1ccc(C#N)s1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825380562 608345288 /nfs/dbraw/zinc/34/52/88/608345288.db2.gz QZEVTAXAFPARSJ-UHFFFAOYSA-N -1 3 358.814 3.120 20 30 FGEDHM CCN(C(=O)c1ccc(C#N)s1)c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000825380562 608345289 /nfs/dbraw/zinc/34/52/89/608345289.db2.gz QZEVTAXAFPARSJ-UHFFFAOYSA-N -1 3 358.814 3.120 20 30 FGEDHM C=C[C@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC000823883611 608371866 /nfs/dbraw/zinc/37/18/66/608371866.db2.gz VNLUVGBDSMULHB-CQSZACIVSA-N -1 3 364.405 3.278 20 30 FGEDHM C=C[C@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC000823883611 608371868 /nfs/dbraw/zinc/37/18/68/608371868.db2.gz VNLUVGBDSMULHB-CQSZACIVSA-N -1 3 364.405 3.278 20 30 FGEDHM Cc1ccc2c(c1C)C(N=Nc1cc(-c3nnn[n-]3)cc(Cl)n1)CCO2 ZINC000826294134 608539201 /nfs/dbraw/zinc/53/92/01/608539201.db2.gz JVOGCRBOXRVZCK-UHFFFAOYSA-N -1 3 369.816 3.131 20 30 FGEDHM Cc1ccc2c(c1C)C(N=Nc1cc(-c3nn[n-]n3)cc(Cl)n1)CCO2 ZINC000826294134 608539202 /nfs/dbraw/zinc/53/92/02/608539202.db2.gz JVOGCRBOXRVZCK-UHFFFAOYSA-N -1 3 369.816 3.131 20 30 FGEDHM O=C1c2cc(F)ccc2OCCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475962 608878063 /nfs/dbraw/zinc/87/80/63/608878063.db2.gz XLNNYJSFMWDWNN-YRNVUSSQSA-N -1 3 354.316 3.194 20 30 FGEDHM O=C1c2cc(F)ccc2OCCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475962 608878064 /nfs/dbraw/zinc/87/80/64/608878064.db2.gz XLNNYJSFMWDWNN-YRNVUSSQSA-N -1 3 354.316 3.194 20 30 FGEDHM C#CCCCCCC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000823840959 609135145 /nfs/dbraw/zinc/13/51/45/609135145.db2.gz HECXOPWAYZQUKG-UHFFFAOYSA-N -1 3 364.352 3.095 20 30 FGEDHM C#CCCCCCC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000823840959 609135146 /nfs/dbraw/zinc/13/51/46/609135146.db2.gz HECXOPWAYZQUKG-UHFFFAOYSA-N -1 3 364.352 3.095 20 30 FGEDHM CCc1c(C)sc(NC(=O)Cc2ccccc2CC#N)c1-c1nnn[n-]1 ZINC000825688241 609183370 /nfs/dbraw/zinc/18/33/70/609183370.db2.gz UTZMNQJPXURHNM-UHFFFAOYSA-N -1 3 366.450 3.046 20 30 FGEDHM CCc1c(C)sc(NC(=O)Cc2ccccc2CC#N)c1-c1nn[n-]n1 ZINC000825688241 609183371 /nfs/dbraw/zinc/18/33/71/609183371.db2.gz UTZMNQJPXURHNM-UHFFFAOYSA-N -1 3 366.450 3.046 20 30 FGEDHM C=CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000823931811 609271161 /nfs/dbraw/zinc/27/11/61/609271161.db2.gz FWYKZQTZIMRZOC-YHYXMXQVSA-N -1 3 350.353 3.467 20 30 FGEDHM C=CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000823931811 609271162 /nfs/dbraw/zinc/27/11/62/609271162.db2.gz FWYKZQTZIMRZOC-YHYXMXQVSA-N -1 3 350.353 3.467 20 30 FGEDHM N#Cc1ccc(COc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000826384613 609306868 /nfs/dbraw/zinc/30/68/68/609306868.db2.gz CHNDZNQHQLPVRL-UHFFFAOYSA-N -1 3 356.183 3.080 20 30 FGEDHM Cc1ccc(-c2nnn[n-]2)cc1OCc1ccc(C#N)cc1Br ZINC000826279675 609311391 /nfs/dbraw/zinc/31/13/91/609311391.db2.gz XSHBDNSMCDRIMP-UHFFFAOYSA-N -1 3 370.210 3.388 20 30 FGEDHM Cc1ccc(-c2nn[n-]n2)cc1OCc1ccc(C#N)cc1Br ZINC000826279675 609311392 /nfs/dbraw/zinc/31/13/92/609311392.db2.gz XSHBDNSMCDRIMP-UHFFFAOYSA-N -1 3 370.210 3.388 20 30 FGEDHM FC(F)Sc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826370364 609374038 /nfs/dbraw/zinc/37/40/38/609374038.db2.gz OVXXKAFTTJDSTC-UHFFFAOYSA-N -1 3 360.393 3.305 20 30 FGEDHM FC(F)Sc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826370364 609374041 /nfs/dbraw/zinc/37/40/41/609374041.db2.gz OVXXKAFTTJDSTC-UHFFFAOYSA-N -1 3 360.393 3.305 20 30 FGEDHM CC(N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1CCCOC1 ZINC000823958064 609516234 /nfs/dbraw/zinc/51/62/34/609516234.db2.gz AKGSYGCZXPFCPQ-JTQLQIEISA-N -1 3 354.336 3.100 20 30 FGEDHM CC(N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1CCCOC1 ZINC000823958064 609516236 /nfs/dbraw/zinc/51/62/36/609516236.db2.gz AKGSYGCZXPFCPQ-JTQLQIEISA-N -1 3 354.336 3.100 20 30 FGEDHM Cc1csc(C(C#N)=C([O-])c2ccc(OCc3noc(C)n3)cc2)n1 ZINC000041517525 695762877 /nfs/dbraw/zinc/76/28/77/695762877.db2.gz GOXGSBHFCPZCAY-CQSZACIVSA-N -1 3 354.391 3.212 20 30 FGEDHM CC(C)Oc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1C#N ZINC000092216285 700432991 /nfs/dbraw/zinc/43/29/91/700432991.db2.gz LJCICNLPDYUFAH-UHFFFAOYSA-N -1 3 352.316 3.060 20 30 FGEDHM O=C(C/N=C/c1cc(Br)ccc1[O-])N1CCc2ccccc21 ZINC000101799772 700470898 /nfs/dbraw/zinc/47/08/98/700470898.db2.gz AYNNESBOGKCIFY-VXLYETTFSA-N -1 3 359.223 3.163 20 30 FGEDHM O=c1oc2ccccc2n1CC/N=C/c1cc(Br)ccc1[O-] ZINC000106586333 700509006 /nfs/dbraw/zinc/50/90/06/700509006.db2.gz OIIPTKOIYUZRLQ-VCHYOVAHSA-N -1 3 361.195 3.182 20 30 FGEDHM [O-]c1ccc(Br)cc1/C=N/CCOc1ccc2c(c1)OCO2 ZINC000127948714 700768734 /nfs/dbraw/zinc/76/87/34/700768734.db2.gz MFKGSXBIUDZPQT-GIJQJNRQSA-N -1 3 364.195 3.381 20 30 FGEDHM O=C(C/N=C/c1cc(Cl)ccc1[O-])Nc1ccc(-n2cccn2)cc1 ZINC000131219930 700812305 /nfs/dbraw/zinc/81/23/05/700812305.db2.gz SFZWOMGKTPEQRG-RGVLZGJSSA-N -1 3 354.797 3.289 20 30 FGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N([C@@H](C)CC)[C@@H](C)CC)ccc1F ZINC000184950772 712679439 /nfs/dbraw/zinc/67/94/39/712679439.db2.gz OBESWJXTOSWVDR-KBPBESRZSA-N -1 3 370.490 3.329 20 30 FGEDHM [O-]c1c(O)ccc(C=Nc2ccc(OCC(F)(F)C(F)F)nc2)c1O ZINC000255713423 713704971 /nfs/dbraw/zinc/70/49/71/713704971.db2.gz XLVQSQJAFQKWLB-UHFFFAOYSA-N -1 3 360.263 3.228 20 30 FGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)sc2nccn12 ZINC000780306240 724457280 /nfs/dbraw/zinc/45/72/80/724457280.db2.gz SPNISDSUIWHQET-JTQLQIEISA-N -1 3 358.810 3.319 20 30 FGEDHM N#Cc1cccc(CC(=O)[N-]OCc2ccc(F)cc2Br)c1 ZINC000781120199 724529998 /nfs/dbraw/zinc/52/99/98/724529998.db2.gz UWXLDDHZARAIFE-UHFFFAOYSA-N -1 3 363.186 3.250 20 30 FGEDHM O=C(C/N=C/c1cc(Br)ccc1[O-])N1CCc2ccccc2C1 ZINC000726428462 722434003 /nfs/dbraw/zinc/43/40/03/722434003.db2.gz BGKNCAKTDWBVIS-KEBDBYFISA-N -1 3 373.250 3.159 20 30 FGEDHM Fc1cc(Br)cc2c1CCC2=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000727779080 722447315 /nfs/dbraw/zinc/44/73/15/722447315.db2.gz XNRRRNPKJPPHSO-UHFFFAOYSA-N -1 3 361.178 3.017 20 30 FGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cnc(N2CCOCC2)s1 ZINC000727974451 722449005 /nfs/dbraw/zinc/44/90/05/722449005.db2.gz KOGYUQMZYOPRBH-ZDIKFAODSA-N -1 3 360.410 3.208 20 30 FGEDHM Cc1ncc(CO)c(/C=N/C[C@@H](O)c2ccc(Cl)cc2Cl)c1[O-] ZINC000731936937 722479558 /nfs/dbraw/zinc/47/95/58/722479558.db2.gz CLNFQLAATVQHDT-SOMFGXHWSA-N -1 3 355.221 3.047 20 30 FGEDHM C=C(Cl)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000736240218 722522317 /nfs/dbraw/zinc/52/23/17/722522317.db2.gz IDHJFRAFJNMHRG-UHFFFAOYSA-N -1 3 368.817 3.109 20 30 FGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2cc(Cl)cs2)cc1OC ZINC000759432769 723004443 /nfs/dbraw/zinc/00/44/43/723004443.db2.gz ZLLZTJHYSLAOCN-LLVKDONJSA-N -1 3 364.810 3.380 20 30 FGEDHM COc1ccc(CN=Nc2nc(C)cc(C)n2)c(Br)c1[O-] ZINC000760995331 723111243 /nfs/dbraw/zinc/11/12/43/723111243.db2.gz DVFWSAKSAKYYKN-UHFFFAOYSA-N -1 3 351.204 3.016 20 30 FGEDHM CC1(C)CCC(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000764683920 723437051 /nfs/dbraw/zinc/43/70/51/723437051.db2.gz YZRSZUGOCJVOSC-UHFFFAOYSA-N -1 3 353.444 3.216 20 30 FGEDHM N#Cc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1Br ZINC000794736937 723543831 /nfs/dbraw/zinc/54/38/31/723543831.db2.gz SRBFLYVIODYWEN-ZROIWOOFSA-N -1 3 368.190 3.044 20 30 FGEDHM Cc1ncc(CO)c(/C=N/Cc2cc3cc(Br)ccc3[nH]2)c1[O-] ZINC000767339095 723615259 /nfs/dbraw/zinc/61/52/59/723615259.db2.gz SQSHVJLVVHRILG-UFWORHAWSA-N -1 3 374.238 3.451 20 30 FGEDHM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1cccc2nccn21 ZINC000771096280 723727792 /nfs/dbraw/zinc/72/77/92/723727792.db2.gz DQXWCVRKCPRHJU-UHFFFAOYSA-N -1 3 366.475 3.389 20 30 FGEDHM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)/C=C/c1ccccc1F ZINC000799922989 724113361 /nfs/dbraw/zinc/11/33/61/724113361.db2.gz XWYHXWPIGLLXLI-JXMROGBWSA-N -1 3 350.346 3.280 20 30 FGEDHM N#Cc1ccc(C[N-]C(=O)C(F)(F)Oc2ccc(C=O)cc2)cc1Cl ZINC000801523793 724310129 /nfs/dbraw/zinc/31/01/29/724310129.db2.gz KPAKZPBPRFBCET-UHFFFAOYSA-N -1 3 364.735 3.312 20 30 FGEDHM CCNc1ccc(C#N)cc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC000788750276 725085565 /nfs/dbraw/zinc/08/55/65/725085565.db2.gz KJOMHFUQMXIDOX-UHFFFAOYSA-N -1 3 355.419 3.165 20 30 FGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cnn(CCF)c1 ZINC000808978695 725221794 /nfs/dbraw/zinc/22/17/94/725221794.db2.gz ADGZZZYSDQNQSB-NSHDSACASA-N -1 3 369.183 3.121 20 30 FGEDHM N#Cc1cc([O-])cc(C(=O)OCc2nnc(-c3cccc(Cl)c3)o2)c1 ZINC000811186911 725349504 /nfs/dbraw/zinc/34/95/04/725349504.db2.gz DCLSQEJRQGKHDO-UHFFFAOYSA-N -1 3 355.737 3.324 20 30 FGEDHM N#Cc1cc([O-])cc(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)c1 ZINC000811186647 725349603 /nfs/dbraw/zinc/34/96/03/725349603.db2.gz SLZUZWRVXHLTBK-UHFFFAOYSA-N -1 3 359.765 3.436 20 30 FGEDHM CCn1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)n1 ZINC000842684838 730530439 /nfs/dbraw/zinc/53/04/39/730530439.db2.gz PCHSUCWFSRMNLV-GFCCVEGCSA-N -1 3 364.377 3.179 20 30 FGEDHM N#CC(=C([O-])c1ccc(N2CCOCC2)cc1)c1nc(C2CC2)cs1 ZINC000842940354 730560209 /nfs/dbraw/zinc/56/02/09/730560209.db2.gz BWQFDWLKNVINBS-MRXNPFEDSA-N -1 3 353.447 3.347 20 30 FGEDHM C[C@]1(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@]1(F)Cl ZINC000845980906 730915110 /nfs/dbraw/zinc/91/51/10/730915110.db2.gz MSJCQPVXBCAFCU-QWHCGFSZSA-N -1 3 351.230 3.195 20 30 FGEDHM C[C@H](CCC#N)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852672961 731617043 /nfs/dbraw/zinc/61/70/43/731617043.db2.gz DREYWPNXTFJCMW-FVQBIDKESA-N -1 3 353.388 3.215 20 30 FGEDHM CCn1ncc(C([O-])=C(C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1C ZINC000870141693 733815936 /nfs/dbraw/zinc/81/59/36/733815936.db2.gz BOFLSGFQWOIZJX-CYBMUJFWSA-N -1 3 365.220 3.479 20 30 FGEDHM Cc1cc(SC(C)(C)C)ccc1NC(=O)N[C@H]1CCCN([O-])C1=O ZINC000878544943 736884803 /nfs/dbraw/zinc/88/48/03/736884803.db2.gz CAISXKFLDXSITO-AWEZNQCLSA-N -1 3 351.472 3.387 20 30 FGEDHM 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FGEDHM N#Cc1ccc(NCCCNC(=O)c2cccc([O-])c2)c(Br)c1 ZINC000134771211 495198983 /nfs/dbraw/zinc/19/89/83/495198983.db2.gz JMUPODJMOHEUSY-UHFFFAOYSA-N -1 3 374.238 3.258 20 30 FGEDHM N#Cc1ccc([N-]S(=O)(=O)c2cccc(OC(F)(F)F)c2)c(F)c1 ZINC000135371115 495283497 /nfs/dbraw/zinc/28/34/97/495283497.db2.gz PFBZEWPLKYXZPE-UHFFFAOYSA-N -1 3 360.288 3.397 20 30 FGEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)cc1[O-] ZINC000129877974 495309369 /nfs/dbraw/zinc/30/93/69/495309369.db2.gz FJBQKJYXSIYJSK-UHFFFAOYSA-N -1 3 357.841 3.121 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@]2(CC=CCC2)C1 ZINC000114436452 495373384 /nfs/dbraw/zinc/37/33/84/495373384.db2.gz SVCITJYXBFOTCQ-OAQYLSRUSA-N -1 3 353.466 3.145 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@]2(CC=CCC2)C1 ZINC000114436450 495373587 /nfs/dbraw/zinc/37/35/87/495373587.db2.gz SVCITJYXBFOTCQ-NRFANRHFSA-N -1 3 353.466 3.145 20 30 FGEDHM Cc1cccc2c(CC[N-]S(=O)(=O)c3ccc(F)cc3C#N)c[nH]c21 ZINC000125153604 495399083 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FGEDHM COc1cccc(F)c1[C@@H](C)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180029804 495829609 /nfs/dbraw/zinc/82/96/09/495829609.db2.gz CZTLWGMFUGEGAA-SNVBAGLBSA-N -1 3 368.817 3.399 20 30 FGEDHM Cc1cc(C(=O)[N-]c2sc3c(c2C#N)CCC3)nc(C(F)(F)F)n1 ZINC000186061577 495841602 /nfs/dbraw/zinc/84/16/02/495841602.db2.gz JGMLNNPMOAGLFD-UHFFFAOYSA-N -1 3 352.341 3.478 20 30 FGEDHM COCCC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCCC1 ZINC000180146316 495879022 /nfs/dbraw/zinc/87/90/22/495879022.db2.gz FNPGTQLUVWSWGA-UHFFFAOYSA-N -1 3 356.875 3.087 20 30 FGEDHM C=CCN(CC=C)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183295789 495918932 /nfs/dbraw/zinc/91/89/32/495918932.db2.gz MLSYOMOMGJPSDM-UHFFFAOYSA-N -1 3 371.462 3.153 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nccc3ccccc32)c(Cl)c1 ZINC000183448660 495988352 /nfs/dbraw/zinc/98/83/52/495988352.db2.gz QABSNAVOMNDCMY-UHFFFAOYSA-N -1 3 357.822 3.238 20 30 FGEDHM C=CCn1c(S[C@H](C)c2nc(C)cc(=O)[n-]2)nc2sccc2c1=O ZINC000155881314 496095749 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20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)cn1 ZINC000164971188 496642509 /nfs/dbraw/zinc/64/25/09/496642509.db2.gz JZFVSHBHRRDIBO-UHFFFAOYSA-N -1 3 372.631 3.170 20 30 FGEDHM N#Cc1cc(Br)cc(S(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC000153978978 496642621 /nfs/dbraw/zinc/64/26/21/496642621.db2.gz OSOHBXWRVBSPLU-UHFFFAOYSA-N -1 3 373.178 3.400 20 30 FGEDHM CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)n1 ZINC000154050303 496667438 /nfs/dbraw/zinc/66/74/38/496667438.db2.gz DMFNKBIAVJFFRA-UHFFFAOYSA-N -1 3 355.872 3.270 20 30 FGEDHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)[C@H]1COc2ccccc21 ZINC000167591373 496703749 /nfs/dbraw/zinc/70/37/49/496703749.db2.gz OKAQUBDEQHMQPN-SMDDNHRTSA-N -1 3 362.838 3.055 20 30 FGEDHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@@H](CCC#N)c3ccccc3)cn21 ZINC000574860564 505870979 /nfs/dbraw/zinc/87/09/79/505870979.db2.gz LSWHJKRSISXAAF-HOCLYGCPSA-N -1 3 358.467 3.104 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccc(N(C)C)cc2)no1 ZINC000264659204 496956361 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371.462 3.129 20 30 FGEDHM CC(C)(C)c1nnc2ccc(C([O-])=C(C#N)c3nc4ccccc4[nH]3)cn21 ZINC000545979057 504663297 /nfs/dbraw/zinc/66/32/97/504663297.db2.gz FAEZDMVAWOFSQC-ZDUSSCGKSA-N -1 3 358.405 3.393 20 30 FGEDHM N#CCC1(C[N-]S(=O)(=O)c2cccc(Br)c2Cl)CC1 ZINC000556396295 504862816 /nfs/dbraw/zinc/86/28/16/504862816.db2.gz UGHOUWHKHPAJCN-UHFFFAOYSA-N -1 3 363.664 3.075 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCc3sc(Cl)cc32)c(F)c1 ZINC000565565487 504923766 /nfs/dbraw/zinc/92/37/66/504923766.db2.gz GBXRBCKHLNBLKU-LLVKDONJSA-N -1 3 356.831 3.378 20 30 FGEDHM COc1cc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)ccc1C#N ZINC000566707256 505249547 /nfs/dbraw/zinc/24/95/47/505249547.db2.gz PDKXFMYDKDGJGW-UHFFFAOYSA-N -1 3 371.245 3.352 20 30 FGEDHM CC#CCN(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000564061913 505315074 /nfs/dbraw/zinc/31/50/74/505315074.db2.gz IUZDZOAKTWZHKY-UHFFFAOYSA-N -1 3 367.630 3.039 20 30 FGEDHM CC#CCN(C)C(=O)c1cnc2c(Cl)cc(Br)cc2c1[O-] ZINC000564061913 505315079 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Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000603375561 506498495 /nfs/dbraw/zinc/49/84/95/506498495.db2.gz HSKFPFRDENBPDD-UHFFFAOYSA-N -1 3 353.831 3.110 20 30 FGEDHM COc1ccc(C2([N-]S(=O)(=O)c3ccsc3C#N)CCCC2)cc1 ZINC000593541518 506677912 /nfs/dbraw/zinc/67/79/12/506677912.db2.gz BPGUSNHQOJNSRV-UHFFFAOYSA-N -1 3 362.476 3.376 20 30 FGEDHM CC[C@H]([N-]S(=O)(=O)c1ccsc1C#N)c1ccc(OC)c(OC)c1 ZINC000593599869 506698794 /nfs/dbraw/zinc/69/87/94/506698794.db2.gz YFLFUMZIVWUISK-LBPRGKRZSA-N -1 3 366.464 3.067 20 30 FGEDHM COc1ccc([O-])c(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000609508728 506902339 /nfs/dbraw/zinc/90/23/39/506902339.db2.gz NMDOUODKPJUILY-UHFFFAOYSA-N -1 3 366.417 3.392 20 30 FGEDHM Cc1ccc(NC(=O)[C@H](C)C#N)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000609840883 507020446 /nfs/dbraw/zinc/02/04/46/507020446.db2.gz UMWFWFCOYFUZLM-GFCCVEGCSA-N -1 3 361.398 3.033 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCSc2ccccc2)c(F)c1 ZINC000610080684 507092346 /nfs/dbraw/zinc/09/23/46/507092346.db2.gz 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ZINC000610993147 507470433 /nfs/dbraw/zinc/47/04/33/507470433.db2.gz FRZSZTMVTFFQLG-UHFFFAOYSA-N -1 3 370.840 3.163 20 30 FGEDHM CN(C)CCOc1ccc(NC(=O)c2cc([O-])cc(C#N)c2)cc1Cl ZINC000614369996 507483211 /nfs/dbraw/zinc/48/32/11/507483211.db2.gz NKTLBDORQCXFPR-UHFFFAOYSA-N -1 3 359.813 3.110 20 30 FGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1COc2c1cccc2Cl ZINC000611026162 507486997 /nfs/dbraw/zinc/48/69/97/507486997.db2.gz GOHVJXQJCJJZBT-CYBMUJFWSA-N -1 3 369.229 3.277 20 30 FGEDHM COCc1cc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)ccc1OC ZINC000601976694 507535697 /nfs/dbraw/zinc/53/56/97/507535697.db2.gz BXCNRQDZOKSXDL-UHFFFAOYSA-N -1 3 374.462 3.444 20 30 FGEDHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(C#N)cc2Br)n1 ZINC000595528306 507544654 /nfs/dbraw/zinc/54/46/54/507544654.db2.gz QKVQGLSDYBBYCR-UHFFFAOYSA-N -1 3 361.243 3.150 20 30 FGEDHM COC(=O)c1cc(Cl)cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)c1[O-] ZINC000588100170 507763270 /nfs/dbraw/zinc/76/32/70/507763270.db2.gz RKRHDPHONBTECA-UHFFFAOYSA-N -1 3 370.792 3.374 20 30 FGEDHM CC(C)c1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1[N+](=O)[O-] ZINC000820192375 607254298 /nfs/dbraw/zinc/25/42/98/607254298.db2.gz LJZDYLSKIQEHMQ-UHFFFAOYSA-N -1 3 365.397 3.022 20 30 FGEDHM CC(C)c1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000820192375 607254299 /nfs/dbraw/zinc/25/42/99/607254299.db2.gz LJZDYLSKIQEHMQ-UHFFFAOYSA-N -1 3 365.397 3.022 20 30 FGEDHM C=CCc1ccccc1OCCOc1ccc(-c2nnn[n-]2)cc1OC ZINC000735443033 598977374 /nfs/dbraw/zinc/97/73/74/598977374.db2.gz MZQVAJHCGKOLOA-UHFFFAOYSA-N -1 3 352.394 3.062 20 30 FGEDHM C=CCc1ccccc1OCCOc1ccc(-c2nn[n-]n2)cc1OC ZINC000735443033 598977377 /nfs/dbraw/zinc/97/73/77/598977377.db2.gz MZQVAJHCGKOLOA-UHFFFAOYSA-N -1 3 352.394 3.062 20 30 FGEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(OC)c1 ZINC000821787062 599110469 /nfs/dbraw/zinc/11/04/69/599110469.db2.gz NPZFCCHYLJFIEA-UVTDQMKNSA-N -1 3 362.389 3.096 20 30 FGEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(OC)c1 ZINC000821787062 599110470 /nfs/dbraw/zinc/11/04/70/599110470.db2.gz NPZFCCHYLJFIEA-UVTDQMKNSA-N -1 3 362.389 3.096 20 30 FGEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@H](C)c1ccc(C#N)cc1 ZINC000737410933 599122813 /nfs/dbraw/zinc/12/28/13/599122813.db2.gz WDZGITRJIZGBSX-CYBMUJFWSA-N -1 3 355.405 3.190 20 30 FGEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@H](C)c1ccc(C#N)cc1 ZINC000737410933 599122815 /nfs/dbraw/zinc/12/28/15/599122815.db2.gz WDZGITRJIZGBSX-CYBMUJFWSA-N -1 3 355.405 3.190 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnc(CCC)s1 ZINC000735418493 599183492 /nfs/dbraw/zinc/18/34/92/599183492.db2.gz GAIXCBJPIKERKP-UHFFFAOYSA-N -1 3 368.466 3.104 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc(CCC)s1 ZINC000735418493 599183495 /nfs/dbraw/zinc/18/34/95/599183495.db2.gz GAIXCBJPIKERKP-UHFFFAOYSA-N -1 3 368.466 3.104 20 30 FGEDHM CC(C)(C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000735580314 599191144 /nfs/dbraw/zinc/19/11/44/599191144.db2.gz AQOUBOIMSJMCNH-UHFFFAOYSA-N -1 3 366.812 3.308 20 30 FGEDHM CC(C)(C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000735580314 599191146 /nfs/dbraw/zinc/19/11/46/599191146.db2.gz AQOUBOIMSJMCNH-UHFFFAOYSA-N -1 3 366.812 3.308 20 30 FGEDHM O=C(C=Cc1ccc(Oc2cnccn2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822930062 599236486 /nfs/dbraw/zinc/23/64/86/599236486.db2.gz YAJIRVNYLQGSDS-KMKOMSMNSA-N -1 3 370.372 3.345 20 30 FGEDHM O=C(C=Cc1ccc(Oc2cnccn2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822930062 599236487 /nfs/dbraw/zinc/23/64/87/599236487.db2.gz YAJIRVNYLQGSDS-KMKOMSMNSA-N -1 3 370.372 3.345 20 30 FGEDHM C=CCn1c(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)nnc1C1CC1 ZINC000735442400 599286375 /nfs/dbraw/zinc/28/63/75/599286375.db2.gz AEUKSZUIAAZYAJ-NSHDSACASA-N -1 3 353.455 3.375 20 30 FGEDHM C=CCn1c(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)nnc1C1CC1 ZINC000735442400 599286377 /nfs/dbraw/zinc/28/63/77/599286377.db2.gz AEUKSZUIAAZYAJ-NSHDSACASA-N -1 3 353.455 3.375 20 30 FGEDHM CCOc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)c1 ZINC000736655779 598377468 /nfs/dbraw/zinc/37/74/68/598377468.db2.gz UILOMYZZRCBQKS-KTKRTIGZSA-N -1 3 363.421 3.218 20 30 FGEDHM CCOc1cccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)c1 ZINC000736655779 598377470 /nfs/dbraw/zinc/37/74/70/598377470.db2.gz UILOMYZZRCBQKS-KTKRTIGZSA-N -1 3 363.421 3.218 20 30 FGEDHM N#Cc1cnc(NCCSCc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000737728123 598387115 /nfs/dbraw/zinc/38/71/15/598387115.db2.gz HJENNDPRLILHPF-UHFFFAOYSA-N -1 3 371.857 3.132 20 30 FGEDHM N#Cc1cnc(NCCSCc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000737728123 598387117 /nfs/dbraw/zinc/38/71/17/598387117.db2.gz HJENNDPRLILHPF-UHFFFAOYSA-N -1 3 371.857 3.132 20 30 FGEDHM C#CCOc1ccc([C@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000735380709 598417073 /nfs/dbraw/zinc/41/70/73/598417073.db2.gz LJLOTTSUVURJRX-WVUXNXBLSA-N -1 3 374.400 3.196 20 30 FGEDHM C#CCOc1ccc([C@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000735380709 598417074 /nfs/dbraw/zinc/41/70/74/598417074.db2.gz LJLOTTSUVURJRX-WVUXNXBLSA-N -1 3 374.400 3.196 20 30 FGEDHM COc1cc2c(c(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3)c1)O[C@H](C)C2 ZINC000737042130 598502835 /nfs/dbraw/zinc/50/28/35/598502835.db2.gz POJQISQBIBXEMS-QDZRJHCZSA-N -1 3 362.389 3.095 20 30 FGEDHM COc1cc2c(c(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3)c1)O[C@H](C)C2 ZINC000737042130 598502836 /nfs/dbraw/zinc/50/28/36/598502836.db2.gz POJQISQBIBXEMS-QDZRJHCZSA-N -1 3 362.389 3.095 20 30 FGEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735647917 598535503 /nfs/dbraw/zinc/53/55/03/598535503.db2.gz HLEALSJTSSZWBJ-KRWDZBQOSA-N -1 3 360.421 3.159 20 30 FGEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735647917 598535505 /nfs/dbraw/zinc/53/55/05/598535505.db2.gz HLEALSJTSSZWBJ-KRWDZBQOSA-N -1 3 360.421 3.159 20 30 FGEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735649475 598535678 /nfs/dbraw/zinc/53/56/78/598535678.db2.gz ZKKVFQKXEAQJBO-KRWDZBQOSA-N -1 3 360.421 3.159 20 30 FGEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735649475 598535680 /nfs/dbraw/zinc/53/56/80/598535680.db2.gz ZKKVFQKXEAQJBO-KRWDZBQOSA-N -1 3 360.421 3.159 20 30 FGEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(F)cc1C#N ZINC000736480230 598679852 /nfs/dbraw/zinc/67/98/52/598679852.db2.gz MGSSBOVFZLIMGM-UHFFFAOYSA-N -1 3 350.401 3.290 20 30 FGEDHM Cc1cccc(-c2n[nH]cc2C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737380018 598733794 /nfs/dbraw/zinc/73/37/94/598733794.db2.gz KDXBRCUQNCHYRI-HJWRWDBZSA-N -1 3 356.389 3.461 20 30 FGEDHM Cc1cccc(-c2n[nH]cc2C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737380018 598733795 /nfs/dbraw/zinc/73/37/95/598733795.db2.gz KDXBRCUQNCHYRI-HJWRWDBZSA-N -1 3 356.389 3.461 20 30 FGEDHM C[C@H](SCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000736189362 599327664 /nfs/dbraw/zinc/32/76/64/599327664.db2.gz PDYFWZYRIIZQAA-LBPRGKRZSA-N -1 3 364.434 3.171 20 30 FGEDHM C[C@H](SCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736189362 599327665 /nfs/dbraw/zinc/32/76/65/599327665.db2.gz PDYFWZYRIIZQAA-LBPRGKRZSA-N -1 3 364.434 3.171 20 30 FGEDHM c1ccc(-c2noc(N=NC3CCCc4cc(-c5nnn[n-]5)ccc43)n2)cc1 ZINC000823773278 599340888 /nfs/dbraw/zinc/34/08/88/599340888.db2.gz TVDOTCNEMMDLJB-UHFFFAOYSA-N -1 3 372.392 3.069 20 30 FGEDHM c1ccc(-c2noc(N=NC3CCCc4cc(-c5nn[n-]n5)ccc43)n2)cc1 ZINC000823773278 599340890 /nfs/dbraw/zinc/34/08/90/599340890.db2.gz TVDOTCNEMMDLJB-UHFFFAOYSA-N -1 3 372.392 3.069 20 30 FGEDHM COc1ccc(C#N)cc1CSc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000821769827 607376693 /nfs/dbraw/zinc/37/66/93/607376693.db2.gz KYPHYLKMTNIPDZ-UHFFFAOYSA-N -1 3 352.423 3.051 20 30 FGEDHM COc1ccc(C#N)cc1CSc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000821769827 607376695 /nfs/dbraw/zinc/37/66/95/607376695.db2.gz KYPHYLKMTNIPDZ-UHFFFAOYSA-N -1 3 352.423 3.051 20 30 FGEDHM C=C1CCN(C(=O)c2cccc(Nc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000735402788 599569111 /nfs/dbraw/zinc/56/91/11/599569111.db2.gz KITWDNXCCILBKJ-UHFFFAOYSA-N -1 3 360.421 3.403 20 30 FGEDHM C=C(C)CCOC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000819723053 599626749 /nfs/dbraw/zinc/62/67/49/599626749.db2.gz WGPYPRUEMKIAGL-UHFFFAOYSA-N -1 3 354.366 3.162 20 30 FGEDHM C=C(C)CCOC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000819723053 599626750 /nfs/dbraw/zinc/62/67/50/599626750.db2.gz WGPYPRUEMKIAGL-UHFFFAOYSA-N -1 3 354.366 3.162 20 30 FGEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000822823253 599633083 /nfs/dbraw/zinc/63/30/83/599633083.db2.gz NHYGDXPRKYQOSM-UHFFFAOYSA-N -1 3 358.283 3.009 20 30 FGEDHM N#Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000822823253 599633084 /nfs/dbraw/zinc/63/30/84/599633084.db2.gz NHYGDXPRKYQOSM-UHFFFAOYSA-N -1 3 358.283 3.009 20 30 FGEDHM CC#CCOC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000819764134 599648298 /nfs/dbraw/zinc/64/82/98/599648298.db2.gz FSRYUBNTJPGSIP-UHFFFAOYSA-N -1 3 350.403 3.198 20 30 FGEDHM CC#CCOC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000819764134 599648299 /nfs/dbraw/zinc/64/82/99/599648299.db2.gz FSRYUBNTJPGSIP-UHFFFAOYSA-N -1 3 350.403 3.198 20 30 FGEDHM CCCCNC(=O)c1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736998092 600593738 /nfs/dbraw/zinc/59/37/38/600593738.db2.gz FDUAORBNQRPVFK-IBGZPJMESA-N -1 3 365.433 3.004 20 30 FGEDHM N#Cc1ccc([C@H](NCc2ccc(Br)c(F)c2)C(=O)[O-])cc1 ZINC000739104420 600596597 /nfs/dbraw/zinc/59/65/97/600596597.db2.gz APCLJDAEIWWZBG-HNNXBMFYSA-N -1 3 363.186 3.375 20 30 FGEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)CCO2 ZINC000821849482 607461831 /nfs/dbraw/zinc/46/18/31/607461831.db2.gz JYSWZZUQJBMIBZ-XYOKQWHBSA-N -1 3 366.352 3.063 20 30 FGEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)CCO2 ZINC000821849482 607461832 /nfs/dbraw/zinc/46/18/32/607461832.db2.gz JYSWZZUQJBMIBZ-XYOKQWHBSA-N -1 3 366.352 3.063 20 30 FGEDHM CC(C)(C)n1ncc2c1CCC[C@@H]2N[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736309725 601100913 /nfs/dbraw/zinc/10/09/13/601100913.db2.gz HEDGCYAPAAIIJO-FUHWJXTLSA-N -1 3 352.438 3.303 20 30 FGEDHM CCCC(=O)Nc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829184407 601300978 /nfs/dbraw/zinc/30/09/78/601300978.db2.gz LJEHWXFVTXGFQD-LJQANCHMSA-N -1 3 351.406 3.212 20 30 FGEDHM CN(CCOc1cccc(C#N)c1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830791438 601903236 /nfs/dbraw/zinc/90/32/36/601903236.db2.gz BSEPRBRNKOIXQJ-KRWDZBQOSA-N -1 3 364.323 3.112 20 30 FGEDHM C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833402824 604931852 /nfs/dbraw/zinc/93/18/52/604931852.db2.gz XIGVBZLMZWXVHW-IAGOWNOFSA-N -1 3 371.481 3.145 20 30 FGEDHM CC(C)(C)OC(=O)c1cccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)c1 ZINC000833444511 605102912 /nfs/dbraw/zinc/10/29/12/605102912.db2.gz WUGGTFJSRUTJIS-GOSISDBHSA-N -1 3 366.417 3.429 20 30 FGEDHM Cc1ccccc1N=C1NC(=O)C(=Cc2ccc(-c3nnn[n-]3)s2)S1 ZINC000822361447 606387363 /nfs/dbraw/zinc/38/73/63/606387363.db2.gz BGBYRVOVDPCCON-JYRVWZFOSA-N -1 3 368.447 3.128 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000822801389 606452288 /nfs/dbraw/zinc/45/22/88/606452288.db2.gz IILORAJHIXUMNX-RBUKOAKNSA-N -1 3 362.412 3.278 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000822801389 606452289 /nfs/dbraw/zinc/45/22/89/606452289.db2.gz IILORAJHIXUMNX-RBUKOAKNSA-N -1 3 362.412 3.278 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)OCCCC#N)cc1 ZINC000822144393 606830153 /nfs/dbraw/zinc/83/01/53/606830153.db2.gz MCVHSRZQKSBMET-UHFFFAOYSA-N -1 3 363.377 3.428 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)OCCCC#N)cc1 ZINC000822144393 606830155 /nfs/dbraw/zinc/83/01/55/606830155.db2.gz MCVHSRZQKSBMET-UHFFFAOYSA-N -1 3 363.377 3.428 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1sc(C)nc1C ZINC000819746058 606835540 /nfs/dbraw/zinc/83/55/40/606835540.db2.gz ZCYJJHGKFKLIME-UHFFFAOYSA-N -1 3 369.454 3.160 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1sc(C)nc1C ZINC000819746058 606835542 /nfs/dbraw/zinc/83/55/42/606835542.db2.gz ZCYJJHGKFKLIME-UHFFFAOYSA-N -1 3 369.454 3.160 20 30 FGEDHM C=CCC(CC=C)C(=O)N1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000819734196 606947341 /nfs/dbraw/zinc/94/73/41/606947341.db2.gz JWGNWXIKSPIFIE-UHFFFAOYSA-N -1 3 367.453 3.005 20 30 FGEDHM C=CCC(CC=C)C(=O)N1CCC(Oc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000819734196 606947343 /nfs/dbraw/zinc/94/73/43/606947343.db2.gz JWGNWXIKSPIFIE-UHFFFAOYSA-N -1 3 367.453 3.005 20 30 FGEDHM COc1ccsc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821911424 606989577 /nfs/dbraw/zinc/98/95/77/606989577.db2.gz RLXZRIBEGMAOGJ-UHFFFAOYSA-N -1 3 368.344 3.402 20 30 FGEDHM COc1ccsc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821911424 606989578 /nfs/dbraw/zinc/98/95/78/606989578.db2.gz RLXZRIBEGMAOGJ-UHFFFAOYSA-N -1 3 368.344 3.402 20 30 FGEDHM Clc1cccc(-c2n[nH]cc2C=NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826353051 607886327 /nfs/dbraw/zinc/88/63/27/607886327.db2.gz ZFCIVCAQTVZCCK-UHFFFAOYSA-N -1 3 364.800 3.356 20 30 FGEDHM CCc1nc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cs1 ZINC000825745153 607887630 /nfs/dbraw/zinc/88/76/30/607887630.db2.gz IYFDNRSCZNJBBC-UHFFFAOYSA-N -1 3 367.360 3.350 20 30 FGEDHM CCc1nc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cs1 ZINC000825745153 607887631 /nfs/dbraw/zinc/88/76/31/607887631.db2.gz IYFDNRSCZNJBBC-UHFFFAOYSA-N -1 3 367.360 3.350 20 30 FGEDHM N#Cc1cccc(Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000826387047 607898290 /nfs/dbraw/zinc/89/82/90/607898290.db2.gz DIFNDRNHTAXBSB-UHFFFAOYSA-N -1 3 369.388 3.456 20 30 FGEDHM N#Cc1cccc(Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000826387047 607898291 /nfs/dbraw/zinc/89/82/91/607898291.db2.gz DIFNDRNHTAXBSB-UHFFFAOYSA-N -1 3 369.388 3.456 20 30 FGEDHM C=C[C@H](CC(=O)OCc1cc(-c2nnn[n-]2)ccc1OC)c1ccccc1 ZINC000823882595 607980787 /nfs/dbraw/zinc/98/07/87/607980787.db2.gz AFUDZCPWSMCHSP-CQSZACIVSA-N -1 3 364.405 3.278 20 30 FGEDHM C=C[C@H](CC(=O)OCc1cc(-c2nn[n-]n2)ccc1OC)c1ccccc1 ZINC000823882595 607980788 /nfs/dbraw/zinc/98/07/88/607980788.db2.gz AFUDZCPWSMCHSP-CQSZACIVSA-N -1 3 364.405 3.278 20 30 FGEDHM O=C(C=Cc1cnc2ccc(Cl)cn12)c1ccc(-c2nnn[n-]2)s1 ZINC000826403627 608093194 /nfs/dbraw/zinc/09/31/94/608093194.db2.gz XJOWMNQFNISTHH-NSCUHMNNSA-N -1 3 356.798 3.125 20 30 FGEDHM CC(N=Nc1cccc(C(F)(F)F)n1)c1ccc(-c2nnn[n-]2)s1 ZINC000823962400 608094687 /nfs/dbraw/zinc/09/46/87/608094687.db2.gz JUUPVMXWOXUYBJ-UHFFFAOYSA-N -1 3 353.333 3.178 20 30 FGEDHM C=CCOc1ccccc1C(=O)O[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823932025 608181330 /nfs/dbraw/zinc/18/13/30/608181330.db2.gz KQTQYRUPIRVJLG-CYBMUJFWSA-N -1 3 350.378 3.350 20 30 FGEDHM C=CCOc1ccccc1C(=O)O[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823932025 608181331 /nfs/dbraw/zinc/18/13/31/608181331.db2.gz KQTQYRUPIRVJLG-CYBMUJFWSA-N -1 3 350.378 3.350 20 30 FGEDHM COc1cc(C#N)ccc1CSc1nc(C)cc(C)c1-c1nnn[n-]1 ZINC000826176946 608261036 /nfs/dbraw/zinc/26/10/36/608261036.db2.gz LBSGSFOMMOIAJQ-UHFFFAOYSA-N -1 3 352.423 3.051 20 30 FGEDHM COc1cc(C#N)ccc1CSc1nc(C)cc(C)c1-c1nn[n-]n1 ZINC000826176946 608261037 /nfs/dbraw/zinc/26/10/37/608261037.db2.gz LBSGSFOMMOIAJQ-UHFFFAOYSA-N -1 3 352.423 3.051 20 30 FGEDHM Cc1c2c(nc(SCc3cccc(-c4nnn[n-]4)c3F)c1C#N)CCC2 ZINC000826233980 608393673 /nfs/dbraw/zinc/39/36/73/608393673.db2.gz CGTTYAHKZAESNY-UHFFFAOYSA-N -1 3 366.425 3.362 20 30 FGEDHM Cc1c2c(nc(SCc3cccc(-c4nn[n-]n4)c3F)c1C#N)CCC2 ZINC000826233980 608393675 /nfs/dbraw/zinc/39/36/75/608393675.db2.gz CGTTYAHKZAESNY-UHFFFAOYSA-N -1 3 366.425 3.362 20 30 FGEDHM Cc1cc(Oc2ccc(-c3nn[n-]n3)cc2)ccc1Nc1ccc(C#N)nn1 ZINC000826271789 608403270 /nfs/dbraw/zinc/40/32/70/608403270.db2.gz HOMCPWXGODNREZ-UHFFFAOYSA-N -1 3 370.376 3.373 20 30 FGEDHM Cc1cc(C)c2c(c1)OCCC2N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826263482 608539366 /nfs/dbraw/zinc/53/93/66/608539366.db2.gz CTZOSQQGCRAIRM-UHFFFAOYSA-N -1 3 369.816 3.131 20 30 FGEDHM Cc1cc(C)c2c(c1)OCCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826263482 608539368 /nfs/dbraw/zinc/53/93/68/608539368.db2.gz CTZOSQQGCRAIRM-UHFFFAOYSA-N -1 3 369.816 3.131 20 30 FGEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCc3c2cccc3Cl)n1 ZINC000826350359 608539424 /nfs/dbraw/zinc/53/94/24/608539424.db2.gz SFXPJIDHHNSERN-UHFFFAOYSA-N -1 3 360.208 3.331 20 30 FGEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCc3c2cccc3Cl)n1 ZINC000826350359 608539425 /nfs/dbraw/zinc/53/94/25/608539425.db2.gz SFXPJIDHHNSERN-UHFFFAOYSA-N -1 3 360.208 3.331 20 30 FGEDHM FC(F)(F)c1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000826368449 608542739 /nfs/dbraw/zinc/54/27/39/608542739.db2.gz PUEFGQHJXFOLNK-UHFFFAOYSA-N -1 3 367.722 3.380 20 30 FGEDHM FC(F)(F)c1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000826368449 608542741 /nfs/dbraw/zinc/54/27/41/608542741.db2.gz PUEFGQHJXFOLNK-UHFFFAOYSA-N -1 3 367.722 3.380 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC000826380229 608749544 /nfs/dbraw/zinc/74/95/44/608749544.db2.gz RTAOBGXRKIFKPD-JKSUJKDBSA-N -1 3 350.451 3.200 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC000826380229 608749545 /nfs/dbraw/zinc/74/95/45/608749545.db2.gz RTAOBGXRKIFKPD-JKSUJKDBSA-N -1 3 350.451 3.200 20 30 FGEDHM COc1ccc2[nH]cc(C(=O)C=Cc3ccc(F)c(-c4nnn[n-]4)c3)c2c1 ZINC000826212613 608879333 /nfs/dbraw/zinc/87/93/33/608879333.db2.gz VQGVTHAQZXVVDL-CLTKARDFSA-N -1 3 363.352 3.392 20 30 FGEDHM COc1ccc2[nH]cc(C(=O)C=Cc3ccc(F)c(-c4nn[n-]n4)c3)c2c1 ZINC000826212613 608879336 /nfs/dbraw/zinc/87/93/36/608879336.db2.gz VQGVTHAQZXVVDL-CLTKARDFSA-N -1 3 363.352 3.392 20 30 FGEDHM N#CC1(c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)c(Cl)c3)cc2)CC1 ZINC000826380235 609149200 /nfs/dbraw/zinc/14/92/00/609149200.db2.gz RWRSKGHYBKQMNQ-UHFFFAOYSA-N -1 3 364.796 3.328 20 30 FGEDHM N#CC1(c2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)c(Cl)c3)cc2)CC1 ZINC000826380235 609149201 /nfs/dbraw/zinc/14/92/01/609149201.db2.gz RWRSKGHYBKQMNQ-UHFFFAOYSA-N -1 3 364.796 3.328 20 30 FGEDHM O=C(C=Cc1c(Cl)nc2ccccn21)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399872 609272377 /nfs/dbraw/zinc/27/23/77/609272377.db2.gz IRQHIZXXCLZEGC-VOTSOKGWSA-N -1 3 368.759 3.203 20 30 FGEDHM O=C(C=Cc1c(Cl)nc2ccccn21)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399872 609272378 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COc1ncc(C(=O)N([O-])Cc2ccc(F)cc2)cc1Br ZINC000901372531 743262058 /nfs/dbraw/zinc/26/20/58/743262058.db2.gz GDZWJMWZJYNXRA-UHFFFAOYSA-N -1 3 355.163 3.023 20 30 FGEDHM CC(C)c1ccc2c(c1)C(=N[N-]S(=O)(=O)Cc1ccccc1)CCO2 ZINC000920383153 758546059 /nfs/dbraw/zinc/54/60/59/758546059.db2.gz AZFDSWKITCXAJE-UHFFFAOYSA-N -1 3 358.463 3.416 20 30 FGEDHM O=S(=O)(Cc1ccccc1)[N-]N=C(CC(F)(F)F)c1ccccc1 ZINC000920383331 758546815 /nfs/dbraw/zinc/54/68/15/758546815.db2.gz DRFUEWKTMCGAIQ-UHFFFAOYSA-N -1 3 356.369 3.463 20 30 FGEDHM [O-]c1c(O)ccc(C=Nc2cc3c(cc2Br)OCCO3)c1O ZINC000920944333 758623740 /nfs/dbraw/zinc/62/37/40/758623740.db2.gz LUOMHEAJYZBAJA-UHFFFAOYSA-N -1 3 366.167 3.088 20 30 FGEDHM COc1ccc(S(=O)(=O)[N-][C@@H](C#N)CC(C)C)c(Cl)c1Cl ZINC000611113879 507520633 /nfs/dbraw/zinc/52/06/33/507520633.db2.gz OWRCARBDOYMHSL-SECBINFHSA-N -1 3 351.255 3.219 20 30 FGEDHM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000088547221 494248457 /nfs/dbraw/zinc/24/84/57/494248457.db2.gz 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3 359.176 3.297 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1-c1nn[n-]n1 ZINC000737717847 598916419 /nfs/dbraw/zinc/91/64/19/598916419.db2.gz BPODRSZOYGOFES-UHFFFAOYSA-N -1 3 359.176 3.297 20 30 FGEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)ccc1-c1nnn[n-]1 ZINC000737706012 598926774 /nfs/dbraw/zinc/92/67/74/598926774.db2.gz UTLWMKSMTRAQGI-JKSUJKDBSA-N -1 3 364.796 3.134 20 30 FGEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)ccc1-c1nn[n-]n1 ZINC000737706012 598926775 /nfs/dbraw/zinc/92/67/75/598926775.db2.gz UTLWMKSMTRAQGI-JKSUJKDBSA-N -1 3 364.796 3.134 20 30 FGEDHM C(CCCCOc1ccccc1)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000819718827 607253555 /nfs/dbraw/zinc/25/35/55/607253555.db2.gz SCHJOVBVEXHUMU-UHFFFAOYSA-N -1 3 350.426 3.191 20 30 FGEDHM C(CCCCOc1ccccc1)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000819718827 607253556 /nfs/dbraw/zinc/25/35/56/607253556.db2.gz SCHJOVBVEXHUMU-UHFFFAOYSA-N -1 3 350.426 3.191 20 30 FGEDHM Cc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc(C)c1OC(F)F ZINC000822199188 607253922 /nfs/dbraw/zinc/25/39/22/607253922.db2.gz ZOWYTLLYVIZBGO-UHFFFAOYSA-N -1 3 372.379 3.209 20 30 FGEDHM Cc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc(C)c1OC(F)F ZINC000822199188 607253923 /nfs/dbraw/zinc/25/39/23/607253923.db2.gz ZOWYTLLYVIZBGO-UHFFFAOYSA-N -1 3 372.379 3.209 20 30 FGEDHM O=C1C(=Cc2ccc(-n3cccn3)cc2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503518 599113956 /nfs/dbraw/zinc/11/39/56/599113956.db2.gz GCTIIRKELOXDRX-VBKFSLOCSA-N -1 3 368.400 3.265 20 30 FGEDHM O=C1C(=Cc2ccc(-n3cccn3)cc2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503518 599113957 /nfs/dbraw/zinc/11/39/57/599113957.db2.gz GCTIIRKELOXDRX-VBKFSLOCSA-N -1 3 368.400 3.265 20 30 FGEDHM CC(=O)Nc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000819818776 599115532 /nfs/dbraw/zinc/11/55/32/599115532.db2.gz VMJDMZXGOHXDTI-GDNBJRDFSA-N -1 3 359.389 3.038 20 30 FGEDHM CC(=O)Nc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000819818776 599115535 /nfs/dbraw/zinc/11/55/35/599115535.db2.gz VMJDMZXGOHXDTI-GDNBJRDFSA-N -1 3 359.389 3.038 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(OC)cc1C ZINC000735420684 599184092 /nfs/dbraw/zinc/18/40/92/599184092.db2.gz PUXALKPJPXLNID-UHFFFAOYSA-N -1 3 363.421 3.012 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(OC)cc1C ZINC000735420684 599184094 /nfs/dbraw/zinc/18/40/94/599184094.db2.gz PUXALKPJPXLNID-UHFFFAOYSA-N -1 3 363.421 3.012 20 30 FGEDHM COc1cc(-c2nnn[n-]2)ccc1OCc1cc(Cl)ccc1OCC#N ZINC000737032720 599221055 /nfs/dbraw/zinc/22/10/55/599221055.db2.gz OQWLGMKMGQHVIF-UHFFFAOYSA-N -1 3 371.784 3.010 20 30 FGEDHM COc1cc(-c2nn[n-]n2)ccc1OCc1cc(Cl)ccc1OCC#N ZINC000737032720 599221056 /nfs/dbraw/zinc/22/10/56/599221056.db2.gz OQWLGMKMGQHVIF-UHFFFAOYSA-N -1 3 371.784 3.010 20 30 FGEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1C#N ZINC000821109467 607304962 /nfs/dbraw/zinc/30/49/62/607304962.db2.gz JPEILVLPHRWBHQ-UHFFFAOYSA-N -1 3 363.381 3.063 20 30 FGEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1C#N ZINC000821109467 607304963 /nfs/dbraw/zinc/30/49/63/607304963.db2.gz JPEILVLPHRWBHQ-UHFFFAOYSA-N -1 3 363.381 3.063 20 30 FGEDHM C=CCCCOC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000735412460 599277748 /nfs/dbraw/zinc/27/77/48/599277748.db2.gz BPAGQPRZSLKPCS-UHFFFAOYSA-N -1 3 351.366 3.177 20 30 FGEDHM C=CCCCOC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000735412460 599277750 /nfs/dbraw/zinc/27/77/50/599277750.db2.gz BPAGQPRZSLKPCS-UHFFFAOYSA-N -1 3 351.366 3.177 20 30 FGEDHM C#CCN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)C1CCCCC1 ZINC000735374457 598323014 /nfs/dbraw/zinc/32/30/14/598323014.db2.gz JBZBDBKLYGGYMI-UHFFFAOYSA-N -1 3 374.901 3.485 20 30 FGEDHM C#CCN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)C1CCCCC1 ZINC000735374457 598323016 /nfs/dbraw/zinc/32/30/16/598323016.db2.gz JBZBDBKLYGGYMI-UHFFFAOYSA-N -1 3 374.901 3.485 20 30 FGEDHM C=CCn1c(C)cc(C(=O)COc2ccc(-c3nn[n-]n3)cc2C)c1C ZINC000735443132 598395190 /nfs/dbraw/zinc/39/51/90/598395190.db2.gz QTZUIQLBNXHPHX-UHFFFAOYSA-N -1 3 351.410 3.041 20 30 FGEDHM C#Cc1cccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1 ZINC000735390844 598473839 /nfs/dbraw/zinc/47/38/39/598473839.db2.gz FFHLKFWVPYMOPQ-UHFFFAOYSA-N -1 3 358.405 3.045 20 30 FGEDHM C#Cc1cccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)c1 ZINC000735390844 598473840 /nfs/dbraw/zinc/47/38/40/598473840.db2.gz FFHLKFWVPYMOPQ-UHFFFAOYSA-N -1 3 358.405 3.045 20 30 FGEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735502284 598495671 /nfs/dbraw/zinc/49/56/71/598495671.db2.gz DJXOXFPUKMNRRG-GFCCVEGCSA-N -1 3 364.434 3.371 20 30 FGEDHM C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735502284 598495674 /nfs/dbraw/zinc/49/56/74/598495674.db2.gz DJXOXFPUKMNRRG-GFCCVEGCSA-N -1 3 364.434 3.371 20 30 FGEDHM COc1cc2c(c(C=CC(=O)c3cccc(-c4nnn[n-]4)c3)c1)O[C@@H](C)C2 ZINC000737041612 598503183 /nfs/dbraw/zinc/50/31/83/598503183.db2.gz LEFUEKUTXWBBQG-DGMVEKRQSA-N -1 3 362.389 3.095 20 30 FGEDHM COc1cc2c(c(C=CC(=O)c3cccc(-c4nn[n-]n4)c3)c1)O[C@@H](C)C2 ZINC000737041612 598503184 /nfs/dbraw/zinc/50/31/84/598503184.db2.gz LEFUEKUTXWBBQG-DGMVEKRQSA-N -1 3 362.389 3.095 20 30 FGEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000735649155 598535888 /nfs/dbraw/zinc/53/58/88/598535888.db2.gz YGLRFRBYOZTSOK-AWEZNQCLSA-N -1 3 366.450 3.220 20 30 FGEDHM CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000735649155 598535891 /nfs/dbraw/zinc/53/58/91/598535891.db2.gz YGLRFRBYOZTSOK-AWEZNQCLSA-N -1 3 366.450 3.220 20 30 FGEDHM CC(C)Oc1ccc(C#N)cc1NCCOc1cccc(-c2nnn[n-]2)c1 ZINC000735905237 599327789 /nfs/dbraw/zinc/32/77/89/599327789.db2.gz HSOLNTDMULMFGP-UHFFFAOYSA-N -1 3 364.409 3.016 20 30 FGEDHM CC(C)Oc1ccc(C#N)cc1NCCOc1cccc(-c2nn[n-]n2)c1 ZINC000735905237 599327793 /nfs/dbraw/zinc/32/77/93/599327793.db2.gz HSOLNTDMULMFGP-UHFFFAOYSA-N -1 3 364.409 3.016 20 30 FGEDHM C=CCNC(=O)Nc1ccc(N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819751436 599364069 /nfs/dbraw/zinc/36/40/69/599364069.db2.gz UOLDIBNRJMZTOP-ZDUSSCGKSA-N -1 3 363.425 3.347 20 30 FGEDHM C=CCNC(=O)Nc1ccc(N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819751436 599364072 /nfs/dbraw/zinc/36/40/72/599364072.db2.gz UOLDIBNRJMZTOP-ZDUSSCGKSA-N -1 3 363.425 3.347 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc2ccccc2o1 ZINC000737810259 599462129 /nfs/dbraw/zinc/46/21/29/599462129.db2.gz YQPOSTQEDOQBCW-VOTSOKGWSA-N -1 3 356.345 3.157 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc2ccccc2o1 ZINC000737810259 599462131 /nfs/dbraw/zinc/46/21/31/599462131.db2.gz YQPOSTQEDOQBCW-VOTSOKGWSA-N -1 3 356.345 3.157 20 30 FGEDHM O=C(C=Cc1cnc2ccc(Cl)cn12)c1ccc(-c2nnn[n-]2)cc1 ZINC000737809553 599537900 /nfs/dbraw/zinc/53/79/00/599537900.db2.gz XIJXNCVTPGDEBL-VOTSOKGWSA-N -1 3 350.769 3.064 20 30 FGEDHM O=C(C=Cc1cnc2ccc(Cl)cn12)c1ccc(-c2nn[n-]n2)cc1 ZINC000737809553 599537904 /nfs/dbraw/zinc/53/79/04/599537904.db2.gz XIJXNCVTPGDEBL-VOTSOKGWSA-N -1 3 350.769 3.064 20 30 FGEDHM CN(CCCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000737415025 599911887 /nfs/dbraw/zinc/91/18/87/599911887.db2.gz AGJOGXLYYJVZPR-SNVBAGLBSA-N -1 3 372.208 3.031 20 30 FGEDHM N#Cc1ccc(OC2CCN([C@@H](C(=O)[O-])c3ccc(F)cc3)CC2)cc1 ZINC000739128991 600104051 /nfs/dbraw/zinc/10/40/51/600104051.db2.gz NHDMEPCMALAIJP-LJQANCHMSA-N -1 3 354.381 3.366 20 30 FGEDHM CCCC(=O)Nc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736952341 600593579 /nfs/dbraw/zinc/59/35/79/600593579.db2.gz NNDZEFSJKILVSG-LJQANCHMSA-N -1 3 351.406 3.212 20 30 FGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)CCO2 ZINC000822275824 607456382 /nfs/dbraw/zinc/45/63/82/607456382.db2.gz YEIHOCCZFFLJOV-UKTHLTGXSA-N -1 3 350.353 3.363 20 30 FGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)CCO2 ZINC000822275824 607456383 /nfs/dbraw/zinc/45/63/83/607456383.db2.gz YEIHOCCZFFLJOV-UKTHLTGXSA-N -1 3 350.353 3.363 20 30 FGEDHM COc1cc(F)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000821720477 607459427 /nfs/dbraw/zinc/45/94/27/607459427.db2.gz SLVFRGLCGXFVAY-AATRIKPKSA-N -1 3 372.331 3.058 20 30 FGEDHM COc1cc(F)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000821720477 607459428 /nfs/dbraw/zinc/45/94/28/607459428.db2.gz SLVFRGLCGXFVAY-AATRIKPKSA-N -1 3 372.331 3.058 20 30 FGEDHM CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@@H]2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000826847797 604220978 /nfs/dbraw/zinc/22/09/78/604220978.db2.gz NZLIXHQQLHMPGL-DJIMGWMZSA-N -1 3 371.437 3.113 20 30 FGEDHM N#Cc1ccc(CN2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@H]3C2)c(OC(F)F)c1 ZINC000833972109 605446950 /nfs/dbraw/zinc/44/69/50/605446950.db2.gz VELCUJUXFLKCKN-QEJZJMRPSA-N -1 3 365.380 3.028 20 30 FGEDHM N#Cc1cccc(COc2cccc(CN3CCC(NC(=O)[O-])CC3)c2)c1 ZINC000833978221 605482654 /nfs/dbraw/zinc/48/26/54/605482654.db2.gz GBLQFRAIXAUKCC-UHFFFAOYSA-N -1 3 365.433 3.369 20 30 FGEDHM Cc1cccnc1CC(N=Nc1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000822369187 606037833 /nfs/dbraw/zinc/03/78/33/606037833.db2.gz CTWXKYDCXJVRRG-UHFFFAOYSA-N -1 3 361.331 3.143 20 30 FGEDHM Cc1cccnc1CC(N=Nc1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000822369187 606037838 /nfs/dbraw/zinc/03/78/38/606037838.db2.gz CTWXKYDCXJVRRG-UHFFFAOYSA-N -1 3 361.331 3.143 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000819746013 606158830 /nfs/dbraw/zinc/15/88/30/606158830.db2.gz YBWIBXFBAULWDN-UHFFFAOYSA-N -1 3 368.372 3.102 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1ccc([N+](=O)[O-])cc1F ZINC000819746013 606158832 /nfs/dbraw/zinc/15/88/32/606158832.db2.gz YBWIBXFBAULWDN-UHFFFAOYSA-N -1 3 368.372 3.102 20 30 FGEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1OC(F)F ZINC000819773157 606202967 /nfs/dbraw/zinc/20/29/67/606202967.db2.gz PYEUUHZVDWMKLW-UHFFFAOYSA-N -1 3 362.315 3.443 20 30 FGEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1OC(F)F ZINC000819773157 606202969 /nfs/dbraw/zinc/20/29/69/606202969.db2.gz PYEUUHZVDWMKLW-UHFFFAOYSA-N -1 3 362.315 3.443 20 30 FGEDHM N#Cc1nccnc1Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000822845956 606242350 /nfs/dbraw/zinc/24/23/50/606242350.db2.gz JTPMZISRRHNFSI-UHFFFAOYSA-N -1 3 357.333 3.113 20 30 FGEDHM C=CCCCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000819735029 606267550 /nfs/dbraw/zinc/26/75/50/606267550.db2.gz YYBZJZBCTBSNMW-UHFFFAOYSA-N -1 3 350.382 3.349 20 30 FGEDHM C=CCCCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000819735029 606267551 /nfs/dbraw/zinc/26/75/51/606267551.db2.gz YYBZJZBCTBSNMW-UHFFFAOYSA-N -1 3 350.382 3.349 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cnn1-c1ccccc1 ZINC000822015826 606306062 /nfs/dbraw/zinc/30/60/62/606306062.db2.gz PKURHXWGDBCFOT-BQYQJAHWSA-N -1 3 362.418 3.318 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cnn1-c1ccccc1 ZINC000822015826 606306063 /nfs/dbraw/zinc/30/60/63/606306063.db2.gz PKURHXWGDBCFOT-BQYQJAHWSA-N -1 3 362.418 3.318 20 30 FGEDHM CC[C@@H](C#N)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820843404 606317939 /nfs/dbraw/zinc/31/79/39/606317939.db2.gz YAZYMXUJUYYKJT-ZDUSSCGKSA-N -1 3 364.434 3.050 20 30 FGEDHM CC[C@@H](C#N)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820843404 606317940 /nfs/dbraw/zinc/31/79/40/606317940.db2.gz YAZYMXUJUYYKJT-ZDUSSCGKSA-N -1 3 364.434 3.050 20 30 FGEDHM COc1cc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000821708486 606339095 /nfs/dbraw/zinc/33/90/95/606339095.db2.gz QVGZIHUXBWKWIM-CMDGGOBGSA-N -1 3 350.378 3.088 20 30 FGEDHM COc1cc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000821708486 606339097 /nfs/dbraw/zinc/33/90/97/606339097.db2.gz QVGZIHUXBWKWIM-CMDGGOBGSA-N -1 3 350.378 3.088 20 30 FGEDHM Fc1cc(Br)ccc1NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822747995 606370902 /nfs/dbraw/zinc/37/09/02/606370902.db2.gz BNNHHUGEVKFPNS-UHFFFAOYSA-N -1 3 367.207 3.276 20 30 FGEDHM C=CCN(Cc1ccccc1F)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819745699 606673859 /nfs/dbraw/zinc/67/38/59/606673859.db2.gz PVYIVUUWEQVOHS-UHFFFAOYSA-N -1 3 373.338 3.112 20 30 FGEDHM C=CCN(Cc1ccccc1F)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819745699 606673860 /nfs/dbraw/zinc/67/38/60/606673860.db2.gz PVYIVUUWEQVOHS-UHFFFAOYSA-N -1 3 373.338 3.112 20 30 FGEDHM CN(Cc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821613278 606919429 /nfs/dbraw/zinc/91/94/29/606919429.db2.gz GKVSUUFYDDPTMM-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM CN(Cc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821613278 606919430 /nfs/dbraw/zinc/91/94/30/606919430.db2.gz GKVSUUFYDDPTMM-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822801753 606979933 /nfs/dbraw/zinc/97/99/33/606979933.db2.gz NWNLCKOSDLTKSS-MJGOQNOKSA-N -1 3 362.412 3.278 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822801753 606979935 /nfs/dbraw/zinc/97/99/35/606979935.db2.gz NWNLCKOSDLTKSS-MJGOQNOKSA-N -1 3 362.412 3.278 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822801751 606979943 /nfs/dbraw/zinc/97/99/43/606979943.db2.gz NWNLCKOSDLTKSS-HKUYNNGSSA-N -1 3 362.412 3.278 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822801751 606979945 /nfs/dbraw/zinc/97/99/45/606979945.db2.gz NWNLCKOSDLTKSS-HKUYNNGSSA-N -1 3 362.412 3.278 20 30 FGEDHM C(=NNCc1cnc2ccccc2c1)c1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000819719115 606992899 /nfs/dbraw/zinc/99/28/99/606992899.db2.gz ZTTYKUPYRQDFGF-UHFFFAOYSA-N -1 3 368.404 3.020 20 30 FGEDHM C(=NNCc1cnc2ccccc2c1)c1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000819719115 606992900 /nfs/dbraw/zinc/99/29/00/606992900.db2.gz ZTTYKUPYRQDFGF-UHFFFAOYSA-N -1 3 368.404 3.020 20 30 FGEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3cc(-c4nnn[n-]4)cs3)cc21 ZINC000820577029 607022792 /nfs/dbraw/zinc/02/27/92/607022792.db2.gz HBEWFSNYHKDYQV-XQRVVYSFSA-N -1 3 365.418 3.054 20 30 FGEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3cc(-c4nn[n-]n4)cs3)cc21 ZINC000820577029 607022793 /nfs/dbraw/zinc/02/27/93/607022793.db2.gz HBEWFSNYHKDYQV-XQRVVYSFSA-N -1 3 365.418 3.054 20 30 FGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cnn(Cc2ccccc2)c1 ZINC000822927821 607151298 /nfs/dbraw/zinc/15/12/98/607151298.db2.gz BFARDLVEGHURTO-SOFGYWHQSA-N -1 3 362.418 3.069 20 30 FGEDHM O=C1c2cc3c(cc2OCCC1=Cc1ccc(-c2nnn[n-]2)s1)CCC3 ZINC000823504143 607171638 /nfs/dbraw/zinc/17/16/38/607171638.db2.gz MTEAYCONEVVZET-JYRVWZFOSA-N -1 3 364.430 3.466 20 30 FGEDHM C=C(C)[C@H](CC(=O)N(CC)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1)OCC ZINC000823872602 607886028 /nfs/dbraw/zinc/88/60/28/607886028.db2.gz BPGLZNRYLWDTEL-YOEHRIQHSA-N -1 3 357.458 3.148 20 30 FGEDHM C=C(C)[C@H](CC(=O)N(CC)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1)OCC ZINC000823872602 607886029 /nfs/dbraw/zinc/88/60/29/607886029.db2.gz BPGLZNRYLWDTEL-YOEHRIQHSA-N -1 3 357.458 3.148 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC12CCC(CC1)C2 ZINC000823909423 607958790 /nfs/dbraw/zinc/95/87/90/607958790.db2.gz CWPWXHXKDJBHDS-UHFFFAOYSA-N -1 3 366.469 3.145 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC12CCC(CC1)C2 ZINC000823909423 607958791 /nfs/dbraw/zinc/95/87/91/607958791.db2.gz CWPWXHXKDJBHDS-UHFFFAOYSA-N -1 3 366.469 3.145 20 30 FGEDHM O=C1c2cccc(Br)c2CC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826475672 608288518 /nfs/dbraw/zinc/28/85/18/608288518.db2.gz MQNQFFVVAFGEQV-XYOKQWHBSA-N -1 3 367.206 3.452 20 30 FGEDHM O=C1c2cccc(Br)c2CC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826475672 608288520 /nfs/dbraw/zinc/28/85/20/608288520.db2.gz MQNQFFVVAFGEQV-XYOKQWHBSA-N -1 3 367.206 3.452 20 30 FGEDHM COc1cc(-c2nnn[n-]2)ccc1CON=Cc1ccccc1OC(C)C ZINC000826173101 608322427 /nfs/dbraw/zinc/32/24/27/608322427.db2.gz NDZPIDNADYLSAG-UHFFFAOYSA-N -1 3 367.409 3.213 20 30 FGEDHM COc1cc(-c2nn[n-]n2)ccc1CON=Cc1ccccc1OC(C)C ZINC000826173101 608322429 /nfs/dbraw/zinc/32/24/29/608322429.db2.gz NDZPIDNADYLSAG-UHFFFAOYSA-N -1 3 367.409 3.213 20 30 FGEDHM C=C[C@@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC000823883610 608371547 /nfs/dbraw/zinc/37/15/47/608371547.db2.gz VNLUVGBDSMULHB-AWEZNQCLSA-N -1 3 364.405 3.278 20 30 FGEDHM C=C[C@@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC000823883610 608371549 /nfs/dbraw/zinc/37/15/49/608371549.db2.gz VNLUVGBDSMULHB-AWEZNQCLSA-N -1 3 364.405 3.278 20 30 FGEDHM C#C[C@H](OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000823838976 608454850 /nfs/dbraw/zinc/45/48/50/608454850.db2.gz XQJPZHJUWVIVMP-SFHVURJKSA-N -1 3 360.373 3.228 20 30 FGEDHM C#C[C@H](OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000823838976 608454852 /nfs/dbraw/zinc/45/48/52/608454852.db2.gz XQJPZHJUWVIVMP-SFHVURJKSA-N -1 3 360.373 3.228 20 30 FGEDHM C#C[C@@H](OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000823838975 608454977 /nfs/dbraw/zinc/45/49/77/608454977.db2.gz XQJPZHJUWVIVMP-GOSISDBHSA-N -1 3 360.373 3.228 20 30 FGEDHM C#C[C@@H](OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000823838975 608454978 /nfs/dbraw/zinc/45/49/78/608454978.db2.gz XQJPZHJUWVIVMP-GOSISDBHSA-N -1 3 360.373 3.228 20 30 FGEDHM N#Cc1cc(C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)ccc1Cl ZINC000826383512 608574092 /nfs/dbraw/zinc/57/40/92/608574092.db2.gz DVBQIWPISUJRIV-UHFFFAOYSA-N -1 3 359.176 3.297 20 30 FGEDHM N#Cc1cc(C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)ccc1Cl ZINC000826383512 608574094 /nfs/dbraw/zinc/57/40/94/608574094.db2.gz DVBQIWPISUJRIV-UHFFFAOYSA-N -1 3 359.176 3.297 20 30 FGEDHM Cc1nccn1-c1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000826330618 608880318 /nfs/dbraw/zinc/88/03/18/608880318.db2.gz AWHQKFKAWLACSS-YCRREMRBSA-N -1 3 374.379 3.396 20 30 FGEDHM Cc1nccn1-c1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000826330618 608880321 /nfs/dbraw/zinc/88/03/21/608880321.db2.gz AWHQKFKAWLACSS-YCRREMRBSA-N -1 3 374.379 3.396 20 30 FGEDHM CC(N=Nc1nc(C(F)(F)F)cs1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823963080 609160874 /nfs/dbraw/zinc/16/08/74/609160874.db2.gz VDFLTPKZBOHIQE-UHFFFAOYSA-N -1 3 371.323 3.317 20 30 FGEDHM CC(N=Nc1nc(C(F)(F)F)cs1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823963080 609160876 /nfs/dbraw/zinc/16/08/76/609160876.db2.gz VDFLTPKZBOHIQE-UHFFFAOYSA-N -1 3 371.323 3.317 20 30 FGEDHM CCCCCCC[C@@H](C)CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825271554 609208727 /nfs/dbraw/zinc/20/87/27/609208727.db2.gz KYWZXUCWBFXJKH-RHSMWYFYSA-N -1 3 359.474 3.013 20 30 FGEDHM CCCCCCC[C@@H](C)CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825271554 609208729 /nfs/dbraw/zinc/20/87/29/609208729.db2.gz KYWZXUCWBFXJKH-RHSMWYFYSA-N -1 3 359.474 3.013 20 30 FGEDHM CCOc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1O ZINC000825616124 609270145 /nfs/dbraw/zinc/27/01/45/609270145.db2.gz XMWXSGXBQRZESW-CLTKARDFSA-N -1 3 354.341 3.006 20 30 FGEDHM CCOc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1O ZINC000825616124 609270147 /nfs/dbraw/zinc/27/01/47/609270147.db2.gz XMWXSGXBQRZESW-CLTKARDFSA-N -1 3 354.341 3.006 20 30 FGEDHM CCc1ccccc1NN=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825728713 609304567 /nfs/dbraw/zinc/30/45/67/609304567.db2.gz XDLXUHYPYPQSGK-UHFFFAOYSA-N -1 3 372.436 3.276 20 30 FGEDHM CCc1ccccc1NN=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825728713 609304569 /nfs/dbraw/zinc/30/45/69/609304569.db2.gz XDLXUHYPYPQSGK-UHFFFAOYSA-N -1 3 372.436 3.276 20 30 FGEDHM Cc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826281234 609309304 /nfs/dbraw/zinc/30/93/04/609309304.db2.gz KFPCIKQTHSTFMN-CMDGGOBGSA-N -1 3 360.377 3.065 20 30 FGEDHM Cc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826281234 609309305 /nfs/dbraw/zinc/30/93/05/609309305.db2.gz KFPCIKQTHSTFMN-CMDGGOBGSA-N -1 3 360.377 3.065 20 30 FGEDHM CC(C)(C#N)COC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000824058906 609359786 /nfs/dbraw/zinc/35/97/86/609359786.db2.gz IIBWBGJOWXTVSY-UHFFFAOYSA-N -1 3 362.393 3.317 20 30 FGEDHM C=CCNC(=S)Nc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000006362238 695556639 /nfs/dbraw/zinc/55/66/39/695556639.db2.gz UCDWIOOZJYKJJN-UHFFFAOYSA-N -1 3 361.492 3.268 20 30 FGEDHM N#CC(=C([O-])c1csc(Br)c1)c1nnc2n1CCCCC2 ZINC000041505941 695762626 /nfs/dbraw/zinc/76/26/26/695762626.db2.gz XCENONUGHKELOA-JTQLQIEISA-N -1 3 365.256 3.319 20 30 FGEDHM N#C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1cccc(Cl)c1Cl ZINC000118336992 700609397 /nfs/dbraw/zinc/60/93/97/700609397.db2.gz DKVMEGYDAYLSCP-CYBMUJFWSA-N -1 3 373.199 3.225 20 30 FGEDHM CC(C)Oc1cncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)c1 ZINC000179977907 705723064 /nfs/dbraw/zinc/72/30/64/705723064.db2.gz CEMLWIJSUHPYAZ-MRXNPFEDSA-N -1 3 357.797 3.483 20 30 FGEDHM CSc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000193441884 712891527 /nfs/dbraw/zinc/89/15/27/712891527.db2.gz FYNCFINITHYORV-CYBMUJFWSA-N -1 3 355.375 3.278 20 30 FGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])C=CSCc1ccco1 ZINC000255028606 713680894 /nfs/dbraw/zinc/68/08/94/713680894.db2.gz OHWFUEKMNQMETL-QQBNSCQMSA-N -1 3 356.403 3.383 20 30 FGEDHM O=C1C[C@@H](/N=C\c2cc(Br)ccc2[O-])CN1c1ccccc1 ZINC000255522598 713698753 /nfs/dbraw/zinc/69/87/53/713698753.db2.gz URCDRQZGWBEMDP-SAGYFLTASA-N -1 3 359.223 3.379 20 30 FGEDHM O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=NNc1nccc2sccc21 ZINC000774374265 723886624 /nfs/dbraw/zinc/88/66/24/723886624.db2.gz WRPNSNRGISGCLY-UHFFFAOYSA-N -1 3 357.326 3.112 20 30 FGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2C[C@H]2c2cccc(Br)c2)c1[O-] ZINC000726427727 722434066 /nfs/dbraw/zinc/43/40/66/722434066.db2.gz UYJOODTVCCIXPB-OLGKDWKGSA-N -1 3 361.239 3.325 20 30 FGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCc3c2cccc3Br)c1[O-] ZINC000727685295 722446301 /nfs/dbraw/zinc/44/63/01/722446301.db2.gz HWKINYGVZSTTRF-YSNFCQRUSA-N -1 3 361.239 3.457 20 30 FGEDHM COc1ccccc1SC[C@@H](C)C/N=C\c1c([O-])c(C)ncc1CO ZINC000728785926 722454405 /nfs/dbraw/zinc/45/44/05/722454405.db2.gz UDXJVJUTMKEKIK-NLLJVSSUSA-N -1 3 360.479 3.444 20 30 FGEDHM CCCCCCCOC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000744046808 722573074 /nfs/dbraw/zinc/57/30/74/722573074.db2.gz JUORSCHJVXJZBH-CQSZACIVSA-N -1 3 366.483 3.017 20 30 FGEDHM COc1cc(C=NNc2ccc([N+](=O)[O-])cc2OC)cc(Cl)c1[O-] ZINC000746682027 722614685 /nfs/dbraw/zinc/61/46/85/722614685.db2.gz PFNBPPPOZVEYHZ-UHFFFAOYSA-N -1 3 351.746 3.417 20 30 FGEDHM [O-]c1c(Br)cc(O)cc1CN=Nc1ncnc2sccc21 ZINC000755589664 722954642 /nfs/dbraw/zinc/95/46/42/722954642.db2.gz ZMFQENMVPMCLJB-UHFFFAOYSA-N -1 3 365.212 3.311 20 30 FGEDHM COc1cc(C=NNc2ccncc2Cl)cc(Br)c1[O-] ZINC000756842083 722970622 /nfs/dbraw/zinc/97/06/22/722970622.db2.gz KSFXKCLTMGFQGL-UHFFFAOYSA-N -1 3 356.607 3.080 20 30 FGEDHM CCCC[C@H](ON=C(C)C)C(=O)Nc1ccc(C(=O)OCC)cc1[O-] ZINC000758168898 722985426 /nfs/dbraw/zinc/98/54/26/722985426.db2.gz DURJQTJSBJKSIV-INIZCTEOSA-N -1 3 350.415 3.479 20 30 FGEDHM Cc1ncc(CO)c(/C=N\[C@H](C)Cc2ccccc2Br)c1[O-] ZINC000759644254 723013885 /nfs/dbraw/zinc/01/38/85/723013885.db2.gz QNFNZPAIVYZYDN-CZPFXKHOSA-N -1 3 363.255 3.401 20 30 FGEDHM N#CCc1cccc(S(=O)(=O)[N-]c2cc(Cl)c(N)c(Cl)c2)c1 ZINC000794577758 723532943 /nfs/dbraw/zinc/53/29/43/723532943.db2.gz ZTUOZQNQPGMFHB-UHFFFAOYSA-N -1 3 356.234 3.442 20 30 FGEDHM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)c1 ZINC000794581992 723532989 /nfs/dbraw/zinc/53/29/89/723532989.db2.gz MYPSSAKLIBCCRH-UHFFFAOYSA-N -1 3 359.426 3.293 20 30 FGEDHM C[C@H]([N-]S(=O)(=O)c1c(Cl)ccnc1Cl)c1ccc(C#N)cc1 ZINC000767085825 723606689 /nfs/dbraw/zinc/60/66/89/723606689.db2.gz YBBVJXPYSIAGPZ-VIFPVBQESA-N -1 3 356.234 3.300 20 30 FGEDHM COC(=O)N1CCC([C@H](C)/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000776722284 724174161 /nfs/dbraw/zinc/17/41/61/724174161.db2.gz PTYDPINWTWDTES-HPAYWCODSA-N -1 3 369.259 3.441 20 30 FGEDHM C#C[C@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1F ZINC000805776801 725094423 /nfs/dbraw/zinc/09/44/23/725094423.db2.gz WWJVFSZYNIXTDV-HNNXBMFYSA-N -1 3 350.752 3.498 20 30 FGEDHM N#Cc1ccc(CSc2nnc([N-]C(=O)c3cccnc3F)s2)cc1 ZINC000806376728 725126545 /nfs/dbraw/zinc/12/65/45/725126545.db2.gz CKLOYKTUKSYRQK-UHFFFAOYSA-N -1 3 371.422 3.488 20 30 FGEDHM N#Cc1ccc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c(Cl)c1 ZINC000810067389 725285876 /nfs/dbraw/zinc/28/58/76/725285876.db2.gz VHNZVLVSQNFOEO-LBPRGKRZSA-N -1 3 359.779 3.102 20 30 FGEDHM O=C(/C=C\c1cc(-c2nn[n-]n2)cs1)c1c(Cl)nc2sccn21 ZINC000822922613 729232941 /nfs/dbraw/zinc/23/29/41/729232941.db2.gz ICYNYRAOSDRXKB-UPHRSURJSA-N -1 3 362.827 3.187 20 30 FGEDHM C=CCCCCOC(=O)c1c(Cl)ccc(S(=O)(=O)[N-]C)c1Cl ZINC000837568669 730042768 /nfs/dbraw/zinc/04/27/68/730042768.db2.gz WRTZIUBWYVGIEA-UHFFFAOYSA-N -1 3 366.266 3.415 20 30 FGEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1[nH]ccc1-c1c(Cl)cccc1Cl ZINC000848133175 731134145 /nfs/dbraw/zinc/13/41/45/731134145.db2.gz UDPICBSHBARFTG-GFCCVEGCSA-N -1 3 368.220 3.099 20 30 FGEDHM CCCCSc1ccc(Cl)cc1C(=O)N[C@H]1CCCN([O-])C1=O ZINC000848135126 731134341 /nfs/dbraw/zinc/13/43/41/731134341.db2.gz KSGOZCRHEKSMQT-ZDUSSCGKSA-N -1 3 356.875 3.342 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1cnc(Cl)c(F)c1 ZINC000848694290 731198022 /nfs/dbraw/zinc/19/80/22/731198022.db2.gz KNHDQAXQNMSMAC-UHFFFAOYSA-N -1 3 363.776 3.139 20 30 FGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@H]2CC2(Cl)Cl)c1 ZINC000856751488 732054051 /nfs/dbraw/zinc/05/40/51/732054051.db2.gz KMEGUAHKLCOCDM-SECBINFHSA-N -1 3 353.658 3.074 20 30 FGEDHM C=CCCC(C)(C)CNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000868859980 733654627 /nfs/dbraw/zinc/65/46/27/733654627.db2.gz MYWKMSIGYBAWHE-ZDUSSCGKSA-N -1 3 363.424 3.079 20 30 FGEDHM CC[C@@H](C)Sc1ccc(NC(=O)N[C@@H]2CCCN([O-])C2=O)c(C)c1 ZINC000878505676 736856899 /nfs/dbraw/zinc/85/68/99/736856899.db2.gz QOFJUWKPZIVYKV-IUODEOHRSA-N -1 3 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ZINC000737716786 598927586 /nfs/dbraw/zinc/92/75/86/598927586.db2.gz UWKNTZVJVUMNBS-GDBMZVCRSA-N -1 3 364.796 3.134 20 30 FGEDHM O=C1C(=CC2=Cc3ccccc3OC2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823498586 599114673 /nfs/dbraw/zinc/11/46/73/599114673.db2.gz VJRMASZJOSHOMC-YBEGLDIGSA-N -1 3 356.385 3.398 20 30 FGEDHM O=C1C(=CC2=Cc3ccccc3OC2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823498586 599114676 /nfs/dbraw/zinc/11/46/76/599114676.db2.gz VJRMASZJOSHOMC-YBEGLDIGSA-N -1 3 356.385 3.398 20 30 FGEDHM CN(C)c1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1F ZINC000821589645 599113702 /nfs/dbraw/zinc/11/37/02/599113702.db2.gz XCZMMFVSZYHQAY-NTEUORMPSA-N -1 3 363.396 3.284 20 30 FGEDHM CN(C)c1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1F ZINC000821589645 599113704 /nfs/dbraw/zinc/11/37/04/599113704.db2.gz XCZMMFVSZYHQAY-NTEUORMPSA-N -1 3 363.396 3.284 20 30 FGEDHM COc1ccc(C=C2Oc3c(cccc3Cl)C2=O)cc1-c1nnn[n-]1 ZINC000737083089 599155760 /nfs/dbraw/zinc/15/57/60/599155760.db2.gz NAHLUHVBYYCZKY-RIYZIHGNSA-N -1 3 354.753 3.145 20 30 FGEDHM COc1ccc(C=C2Oc3c(cccc3Cl)C2=O)cc1-c1nn[n-]n1 ZINC000737083089 599155763 /nfs/dbraw/zinc/15/57/63/599155763.db2.gz NAHLUHVBYYCZKY-RIYZIHGNSA-N -1 3 354.753 3.145 20 30 FGEDHM COc1ccc(C=CC(=O)c2nc3ccccc3s2)cc1-c1nnn[n-]1 ZINC000737080803 599153686 /nfs/dbraw/zinc/15/36/86/599153686.db2.gz HNYIVFDIAMKTSL-SOFGYWHQSA-N -1 3 363.402 3.381 20 30 FGEDHM COc1ccc(C=CC(=O)c2nc3ccccc3s2)cc1-c1nn[n-]n1 ZINC000737080803 599153689 /nfs/dbraw/zinc/15/36/89/599153689.db2.gz HNYIVFDIAMKTSL-SOFGYWHQSA-N -1 3 363.402 3.381 20 30 FGEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(OC)c(-c3nnn[n-]3)c1)CC2 ZINC000737115391 599156555 /nfs/dbraw/zinc/15/65/55/599156555.db2.gz PICOFHOJYWPNDP-ZROIWOOFSA-N -1 3 362.389 3.096 20 30 FGEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(OC)c(-c3nn[n-]n3)c1)CC2 ZINC000737115391 599156557 /nfs/dbraw/zinc/15/65/57/599156557.db2.gz PICOFHOJYWPNDP-ZROIWOOFSA-N -1 3 362.389 3.096 20 30 FGEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(OC)c(-c3nnn[n-]3)c1)CC2 ZINC000737115389 599157062 /nfs/dbraw/zinc/15/70/62/599157062.db2.gz PICOFHOJYWPNDP-NTEUORMPSA-N -1 3 362.389 3.096 20 30 FGEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(OC)c(-c3nn[n-]n3)c1)CC2 ZINC000737115389 599157063 /nfs/dbraw/zinc/15/70/63/599157063.db2.gz PICOFHOJYWPNDP-NTEUORMPSA-N -1 3 362.389 3.096 20 30 FGEDHM C#CCOc1cccc([C@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735381620 598433946 /nfs/dbraw/zinc/43/39/46/598433946.db2.gz WWEGUDAFKDRRRD-RUMSDORHSA-N -1 3 374.400 3.196 20 30 FGEDHM C#CCOc1cccc([C@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735381620 598433947 /nfs/dbraw/zinc/43/39/47/598433947.db2.gz WWEGUDAFKDRRRD-RUMSDORHSA-N -1 3 374.400 3.196 20 30 FGEDHM COc1cc2c(c(C=CC(=O)c3ccc(-c4nnn[n-]4)cc3)c1)O[C@H](C)C2 ZINC000737042125 598503115 /nfs/dbraw/zinc/50/31/15/598503115.db2.gz POJQISQBIBXEMS-ABZNLYFFSA-N -1 3 362.389 3.095 20 30 FGEDHM COc1cc2c(c(C=CC(=O)c3ccc(-c4nn[n-]n4)cc3)c1)O[C@H](C)C2 ZINC000737042125 598503117 /nfs/dbraw/zinc/50/31/17/598503117.db2.gz POJQISQBIBXEMS-ABZNLYFFSA-N -1 3 362.389 3.095 20 30 FGEDHM C=CCN(CC=C)C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735418354 598649806 /nfs/dbraw/zinc/64/98/06/598649806.db2.gz BQUGGDMCROKAMI-UHFFFAOYSA-N -1 3 361.405 3.473 20 30 FGEDHM C=CCN(CC=C)C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735418354 598649808 /nfs/dbraw/zinc/64/98/08/598649808.db2.gz BQUGGDMCROKAMI-UHFFFAOYSA-N -1 3 361.405 3.473 20 30 FGEDHM Cc1cc(C)c(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1C ZINC000737241419 599461289 /nfs/dbraw/zinc/46/12/89/599461289.db2.gz QCFZJDMTMSEWOO-WAYWQWQTSA-N -1 3 358.405 3.336 20 30 FGEDHM Cc1cc(C)c(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1C ZINC000737241419 599461291 /nfs/dbraw/zinc/46/12/91/599461291.db2.gz QCFZJDMTMSEWOO-WAYWQWQTSA-N -1 3 358.405 3.336 20 30 FGEDHM N#Cc1cc(F)ccc1NCCSCc1ccccc1-c1nnn[n-]1 ZINC000822823091 599466197 /nfs/dbraw/zinc/46/61/97/599466197.db2.gz KVIJPUZBEZKBCJ-UHFFFAOYSA-N -1 3 354.414 3.223 20 30 FGEDHM N#Cc1cc(F)ccc1NCCSCc1ccccc1-c1nn[n-]n1 ZINC000822823091 599466199 /nfs/dbraw/zinc/46/61/99/599466199.db2.gz KVIJPUZBEZKBCJ-UHFFFAOYSA-N -1 3 354.414 3.223 20 30 FGEDHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820939749 599631834 /nfs/dbraw/zinc/63/18/34/599631834.db2.gz XPOVDSVXCYVPLZ-PVUWLOKVSA-N -1 3 368.441 3.051 20 30 FGEDHM CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820939749 599631835 /nfs/dbraw/zinc/63/18/35/599631835.db2.gz XPOVDSVXCYVPLZ-PVUWLOKVSA-N -1 3 368.441 3.051 20 30 FGEDHM N#Cc1ccc([C@H](NCc2ccc(Br)s2)C(=O)[O-])cc1 ZINC000739108787 600592401 /nfs/dbraw/zinc/59/24/01/600592401.db2.gz WZWPKROJLKUONO-ZDUSSCGKSA-N -1 3 351.225 3.298 20 30 FGEDHM CC1CCN(c2ccc(CN[C@H](C(=O)[O-])c3ccc(C#N)cc3)cn2)CC1 ZINC000736798942 600594538 /nfs/dbraw/zinc/59/45/38/600594538.db2.gz JTSGSDXSQBUOTM-FQEVSTJZSA-N -1 3 364.449 3.105 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cnn1-c1ccccc1 ZINC000822015313 607458302 /nfs/dbraw/zinc/45/83/02/607458302.db2.gz HZJKYTNWGWVIMZ-KTKRTIGZSA-N -1 3 374.379 3.396 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cnn1-c1ccccc1 ZINC000822015313 607458303 /nfs/dbraw/zinc/45/83/03/607458303.db2.gz HZJKYTNWGWVIMZ-KTKRTIGZSA-N -1 3 374.379 3.396 20 30 FGEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNc1cccc(Br)c1 ZINC000822739577 607463909 /nfs/dbraw/zinc/46/39/09/607463909.db2.gz AGTNXKQGBRCNQB-UHFFFAOYSA-N -1 3 361.178 3.214 20 30 FGEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1cccc(Br)c1 ZINC000822739577 607463910 /nfs/dbraw/zinc/46/39/10/607463910.db2.gz AGTNXKQGBRCNQB-UHFFFAOYSA-N -1 3 361.178 3.214 20 30 FGEDHM C[C@@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000826053139 601204840 /nfs/dbraw/zinc/20/48/40/601204840.db2.gz ILGRIAUVJXVKQK-XIKOKIGWSA-N -1 3 371.824 3.202 20 30 FGEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833064053 601236897 /nfs/dbraw/zinc/23/68/97/601236897.db2.gz PFVZUOPNRWUHSB-NHCYSSNCSA-N -1 3 366.776 3.017 20 30 FGEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833064183 601237082 /nfs/dbraw/zinc/23/70/82/601237082.db2.gz PFVZUOPNRWUHSB-UMNHJUIQSA-N -1 3 366.776 3.017 20 30 FGEDHM COc1cc(C)c([C@@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000831962213 601300794 /nfs/dbraw/zinc/30/07/94/601300794.db2.gz XBUSMOBFCCMWGY-BFUOFWGJSA-N -1 3 354.406 3.360 20 30 FGEDHM COc1ccc(CNc2cc(C#N)ccc2OC(C)C)cc1-c1nnn[n-]1 ZINC000826203517 607548982 /nfs/dbraw/zinc/54/89/82/607548982.db2.gz SCVICWFFKBHVSR-UHFFFAOYSA-N -1 3 364.409 3.146 20 30 FGEDHM COc1ccc(CNc2cc(C#N)ccc2OC(C)C)cc1-c1nn[n-]n1 ZINC000826203517 607548984 /nfs/dbraw/zinc/54/89/84/607548984.db2.gz SCVICWFFKBHVSR-UHFFFAOYSA-N -1 3 364.409 3.146 20 30 FGEDHM C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824553001 604412826 /nfs/dbraw/zinc/41/28/26/604412826.db2.gz TXNSFQKZFSYSFJ-MGPQQGTHSA-N -1 3 355.394 3.420 20 30 FGEDHM C=CCN1CCC(NC(=O)Nc2cccc(SCCC(=O)[O-])c2)CC1 ZINC000833377444 604601516 /nfs/dbraw/zinc/60/15/16/604601516.db2.gz XEPUHJWHDJWZRE-UHFFFAOYSA-N -1 3 363.483 3.025 20 30 FGEDHM CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2ccc(C#N)cc2OC(F)F)C1 ZINC000833420003 604955136 /nfs/dbraw/zinc/95/51/36/604955136.db2.gz NAWARLOFVWJNOR-CQSZACIVSA-N -1 3 352.381 3.482 20 30 FGEDHM N#Cc1ccc(CN2CCC(Nc3cccc(CNC(=O)[O-])c3)CC2)cc1 ZINC000833972256 605350192 /nfs/dbraw/zinc/35/01/92/605350192.db2.gz XNLLIMDYYGQSGQ-UHFFFAOYSA-N -1 3 364.449 3.402 20 30 FGEDHM CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000820875518 606127337 /nfs/dbraw/zinc/12/73/37/606127337.db2.gz BTOPRQLWXWUBNQ-GFCCVEGCSA-N -1 3 362.393 3.168 20 30 FGEDHM CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000820875518 606127339 /nfs/dbraw/zinc/12/73/39/606127339.db2.gz BTOPRQLWXWUBNQ-GFCCVEGCSA-N -1 3 362.393 3.168 20 30 FGEDHM C#CC[C@H](OC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000819688876 606135349 /nfs/dbraw/zinc/13/53/49/606135349.db2.gz PTJRNMWRBNBROO-KRWDZBQOSA-N -1 3 356.426 3.007 20 30 FGEDHM C#CC[C@H](OC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000819688876 606135351 /nfs/dbraw/zinc/13/53/51/606135351.db2.gz PTJRNMWRBNBROO-KRWDZBQOSA-N -1 3 356.426 3.007 20 30 FGEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822800924 606300815 /nfs/dbraw/zinc/30/08/15/606300815.db2.gz AWXCXKSVIJDDLY-QAPCUYQASA-N -1 3 374.404 3.081 20 30 FGEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822800924 606300816 /nfs/dbraw/zinc/30/08/16/606300816.db2.gz AWXCXKSVIJDDLY-QAPCUYQASA-N -1 3 374.404 3.081 20 30 FGEDHM C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819745921 606345216 /nfs/dbraw/zinc/34/52/16/606345216.db2.gz UZWKPHBHJPOMDF-UHFFFAOYSA-N -1 3 370.363 3.365 20 30 FGEDHM C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819745921 606345217 /nfs/dbraw/zinc/34/52/17/606345217.db2.gz UZWKPHBHJPOMDF-UHFFFAOYSA-N -1 3 370.363 3.365 20 30 FGEDHM Clc1ccc(CNN=Cc2ccc(-c3nnn[n-]3)s2)c(Cl)c1 ZINC000822573968 606371023 /nfs/dbraw/zinc/37/10/23/606371023.db2.gz LWDDDTJIYAMARV-UHFFFAOYSA-N -1 3 353.238 3.359 20 30 FGEDHM N#Cc1cc(NCc2ccc(-c3nnn[n-]3)cc2OC(F)F)ccc1F ZINC000822823595 606597592 /nfs/dbraw/zinc/59/75/92/606597592.db2.gz TXNRLUFFMUDPJZ-UHFFFAOYSA-N -1 3 360.299 3.091 20 30 FGEDHM N#Cc1cc(NCc2ccc(-c3nn[n-]n3)cc2OC(F)F)ccc1F ZINC000822823595 606597593 /nfs/dbraw/zinc/59/75/93/606597593.db2.gz TXNRLUFFMUDPJZ-UHFFFAOYSA-N -1 3 360.299 3.091 20 30 FGEDHM Cc1cc(CCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c(C)s1 ZINC000822199811 606604310 /nfs/dbraw/zinc/60/43/10/606604310.db2.gz ISSZWPKOCBVTNV-UHFFFAOYSA-N -1 3 366.450 3.378 20 30 FGEDHM Cc1cc(CCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c(C)s1 ZINC000822199811 606604312 /nfs/dbraw/zinc/60/43/12/606604312.db2.gz ISSZWPKOCBVTNV-UHFFFAOYSA-N -1 3 366.450 3.378 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C)nc1C ZINC000819745948 606697696 /nfs/dbraw/zinc/69/76/96/606697696.db2.gz WETHSUWZBSGWGO-UHFFFAOYSA-N -1 3 363.425 3.099 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C)nc1C ZINC000819745948 606697697 /nfs/dbraw/zinc/69/76/97/606697697.db2.gz WETHSUWZBSGWGO-UHFFFAOYSA-N -1 3 363.425 3.099 20 30 FGEDHM N#Cc1ccc(CSCCCOc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822825218 606842972 /nfs/dbraw/zinc/84/29/72/606842972.db2.gz AGTSFHUXVHTPFQ-UHFFFAOYSA-N -1 3 351.435 3.441 20 30 FGEDHM N#Cc1ccc(CSCCCOc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822825218 606842973 /nfs/dbraw/zinc/84/29/73/606842973.db2.gz AGTSFHUXVHTPFQ-UHFFFAOYSA-N -1 3 351.435 3.441 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(F)c(C)cc1F ZINC000819745896 606861819 /nfs/dbraw/zinc/86/18/19/606861819.db2.gz TYTSLCVLTZDJFL-UHFFFAOYSA-N -1 3 369.375 3.282 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(F)c(C)cc1F ZINC000819745896 606861820 /nfs/dbraw/zinc/86/18/20/606861820.db2.gz TYTSLCVLTZDJFL-UHFFFAOYSA-N -1 3 369.375 3.282 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(Cl)c1F ZINC000819745526 606871239 /nfs/dbraw/zinc/87/12/39/606871239.db2.gz HOQYALWVOQJQRC-UHFFFAOYSA-N -1 3 371.803 3.488 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(Cl)c1F ZINC000819745526 606871240 /nfs/dbraw/zinc/87/12/40/606871240.db2.gz HOQYALWVOQJQRC-UHFFFAOYSA-N -1 3 371.803 3.488 20 30 FGEDHM C#CCCCCNC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819692320 606955511 /nfs/dbraw/zinc/95/55/11/606955511.db2.gz CGMMKTTZCGWDBJ-UHFFFAOYSA-N -1 3 361.405 3.192 20 30 FGEDHM C#CCCCCNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819692320 606955514 /nfs/dbraw/zinc/95/55/14/606955514.db2.gz CGMMKTTZCGWDBJ-UHFFFAOYSA-N -1 3 361.405 3.192 20 30 FGEDHM N#Cc1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c(F)c1 ZINC000822832671 607139073 /nfs/dbraw/zinc/13/90/73/607139073.db2.gz DNEMDNLOBDBGDS-UHFFFAOYSA-N -1 3 361.283 3.058 20 30 FGEDHM N#Cc1ccc(OCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c(F)c1 ZINC000822832671 607139075 /nfs/dbraw/zinc/13/90/75/607139075.db2.gz DNEMDNLOBDBGDS-UHFFFAOYSA-N -1 3 361.283 3.058 20 30 FGEDHM FC(F)(F)c1ccc(N=NCc2c[nH]c3ccc(-c4nnn[n-]4)cc23)nc1 ZINC000822728359 607145661 /nfs/dbraw/zinc/14/56/61/607145661.db2.gz HRVDDOWQOOEVBC-UHFFFAOYSA-N -1 3 372.314 3.208 20 30 FGEDHM FC(F)(F)c1ccc(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)nc1 ZINC000822728359 607145663 /nfs/dbraw/zinc/14/56/63/607145663.db2.gz HRVDDOWQOOEVBC-UHFFFAOYSA-N -1 3 372.314 3.208 20 30 FGEDHM Cc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cnc1Cl ZINC000822198666 607149028 /nfs/dbraw/zinc/14/90/28/607149028.db2.gz FFPVDWWJARIYMU-QPEQYQDCSA-N -1 3 351.797 3.436 20 30 FGEDHM Cc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cnc1Cl ZINC000822198666 607149030 /nfs/dbraw/zinc/14/90/30/607149030.db2.gz FFPVDWWJARIYMU-QPEQYQDCSA-N -1 3 351.797 3.436 20 30 FGEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1S[C@@H]1CCCc2ccc(F)cc21 ZINC000826383498 607809153 /nfs/dbraw/zinc/80/91/53/607809153.db2.gz DERLPBCZFBNACL-CQSZACIVSA-N -1 3 367.413 3.024 20 30 FGEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1S[C@@H]1CCCc2ccc(F)cc21 ZINC000826383498 607809154 /nfs/dbraw/zinc/80/91/54/607809154.db2.gz DERLPBCZFBNACL-CQSZACIVSA-N -1 3 367.413 3.024 20 30 FGEDHM C=C[C@@H](CC(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823882751 607980736 /nfs/dbraw/zinc/98/07/36/607980736.db2.gz DADPPQFMHPBEGD-HNNXBMFYSA-N -1 3 364.405 3.278 20 30 FGEDHM C=C[C@@H](CC(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823882751 607980737 /nfs/dbraw/zinc/98/07/37/607980737.db2.gz DADPPQFMHPBEGD-HNNXBMFYSA-N -1 3 364.405 3.278 20 30 FGEDHM COc1ccc(C=C2Cc3ccc(Cl)cc3C2=O)cc1-c1nnn[n-]1 ZINC000826190594 608095034 /nfs/dbraw/zinc/09/50/34/608095034.db2.gz GTSCIKNIZFSQKS-SDQBBNPISA-N -1 3 352.781 3.351 20 30 FGEDHM COc1ccc(C=C2Cc3ccc(Cl)cc3C2=O)cc1-c1nn[n-]n1 ZINC000826190594 608095035 /nfs/dbraw/zinc/09/50/35/608095035.db2.gz GTSCIKNIZFSQKS-SDQBBNPISA-N -1 3 352.781 3.351 20 30 FGEDHM N#Cc1ccc(Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)nn1 ZINC000826385933 608403907 /nfs/dbraw/zinc/40/39/07/608403907.db2.gz HZUDLSKBAOSSMQ-UHFFFAOYSA-N -1 3 356.349 3.064 20 30 FGEDHM N#Cc1ccc(Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)nn1 ZINC000826385933 608403908 /nfs/dbraw/zinc/40/39/08/608403908.db2.gz HZUDLSKBAOSSMQ-UHFFFAOYSA-N -1 3 356.349 3.064 20 30 FGEDHM N#Cc1ccc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)cc1Cl ZINC000826385238 608574138 /nfs/dbraw/zinc/57/41/38/608574138.db2.gz CNFAHOHRBBWCHI-UHFFFAOYSA-N -1 3 359.176 3.297 20 30 FGEDHM N#Cc1ccc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)cc1Cl ZINC000826385238 608574139 /nfs/dbraw/zinc/57/41/39/608574139.db2.gz CNFAHOHRBBWCHI-UHFFFAOYSA-N -1 3 359.176 3.297 20 30 FGEDHM C=CC[N@H+](Cc1cccc(-c2nn[n-]n2)c1)Cc1cccc(Cl)c1[O-] ZINC000823915454 608582207 /nfs/dbraw/zinc/58/22/07/608582207.db2.gz YKKJDJWIALHMOH-UHFFFAOYSA-N -1 3 355.829 3.414 20 30 FGEDHM C=CC[N@@H+](Cc1cccc(-c2nn[n-]n2)c1)Cc1cccc(Cl)c1[O-] ZINC000823915454 608582208 /nfs/dbraw/zinc/58/22/08/608582208.db2.gz YKKJDJWIALHMOH-UHFFFAOYSA-N -1 3 355.829 3.414 20 30 FGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CCO2 ZINC000826294154 608876910 /nfs/dbraw/zinc/87/69/10/608876910.db2.gz KFHFDWOPCSQPPM-LCYFTJDESA-N -1 3 350.353 3.363 20 30 FGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)CCO2 ZINC000826294154 608876914 /nfs/dbraw/zinc/87/69/14/608876914.db2.gz KFHFDWOPCSQPPM-LCYFTJDESA-N -1 3 350.353 3.363 20 30 FGEDHM COc1ccc2[nH]cc(C(=O)C=Cc3ccc(F)c(-c4nnn[n-]4)c3)c2c1 ZINC000826212614 608879463 /nfs/dbraw/zinc/87/94/63/608879463.db2.gz VQGVTHAQZXVVDL-XVNBXDOJSA-N -1 3 363.352 3.392 20 30 FGEDHM COc1ccc2[nH]cc(C(=O)C=Cc3ccc(F)c(-c4nn[n-]n4)c3)c2c1 ZINC000826212614 608879464 /nfs/dbraw/zinc/87/94/64/608879464.db2.gz VQGVTHAQZXVVDL-XVNBXDOJSA-N -1 3 363.352 3.392 20 30 FGEDHM CCN(C(=O)Cc1ccccc1CC#N)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825377129 609162862 /nfs/dbraw/zinc/16/28/62/609162862.db2.gz UPUCKMGQLJFBST-HNNXBMFYSA-N -1 3 374.448 3.085 20 30 FGEDHM CCN(C(=O)Cc1ccccc1CC#N)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825377129 609162864 /nfs/dbraw/zinc/16/28/64/609162864.db2.gz UPUCKMGQLJFBST-HNNXBMFYSA-N -1 3 374.448 3.085 20 30 FGEDHM CCNc1ccc(-c2nn[n-]n2)cc1NCCCOc1ccc(C#N)cc1 ZINC000825480528 609178624 /nfs/dbraw/zinc/17/86/24/609178624.db2.gz BBGGRSDUVNVGQG-UHFFFAOYSA-N -1 3 363.425 3.051 20 30 FGEDHM O=C(C=Cc1cccc2c1OCCCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401093 609271179 /nfs/dbraw/zinc/27/11/79/609271179.db2.gz PGACSLKTTPLCMA-VURMDHGXSA-N -1 3 366.352 3.063 20 30 FGEDHM O=C(C=Cc1cccc2c1OCCCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401093 609271180 /nfs/dbraw/zinc/27/11/80/609271180.db2.gz PGACSLKTTPLCMA-VURMDHGXSA-N -1 3 366.352 3.063 20 30 FGEDHM Cn1cc(C=C2Cc3ccccc3C2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360105 609308313 /nfs/dbraw/zinc/30/83/13/609308313.db2.gz XTUSQHXKXHSTOW-WJDWOHSUSA-N -1 3 368.400 3.090 20 30 FGEDHM Cn1cc(C=C2Cc3ccccc3C2=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360105 609308315 /nfs/dbraw/zinc/30/83/15/609308315.db2.gz XTUSQHXKXHSTOW-WJDWOHSUSA-N -1 3 368.400 3.090 20 30 FGEDHM COc1ccc2[nH]c3c(c2c1)CC(N=Nc1cccc(-c2nnn[n-]2)c1)CC3 ZINC000826212190 609448898 /nfs/dbraw/zinc/44/88/98/609448898.db2.gz JFXNGWBVWDCFIC-UHFFFAOYSA-N -1 3 373.420 3.313 20 30 FGEDHM COc1ccc2[nH]c3c(c2c1)CC(N=Nc1cccc(-c2nn[n-]n2)c1)CC3 ZINC000826212190 609448900 /nfs/dbraw/zinc/44/89/00/609448900.db2.gz JFXNGWBVWDCFIC-UHFFFAOYSA-N -1 3 373.420 3.313 20 30 FGEDHM Fc1cc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc(F)c1F ZINC000826372202 609474940 /nfs/dbraw/zinc/47/49/40/609474940.db2.gz MIFIGWWUMDMGDK-UHFFFAOYSA-N -1 3 352.707 3.383 20 30 FGEDHM Fc1cc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc(F)c1F ZINC000826372202 609474941 /nfs/dbraw/zinc/47/49/41/609474941.db2.gz MIFIGWWUMDMGDK-UHFFFAOYSA-N -1 3 352.707 3.383 20 30 FGEDHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000825632252 609477353 /nfs/dbraw/zinc/47/73/53/609477353.db2.gz MVTOGJNGRJDNAW-ZDUSSCGKSA-N -1 3 364.409 3.168 20 30 FGEDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(O[C@@H](C)C#N)cc1 ZINC000825632252 609477354 /nfs/dbraw/zinc/47/73/54/609477354.db2.gz MVTOGJNGRJDNAW-ZDUSSCGKSA-N -1 3 364.409 3.168 20 30 FGEDHM C#CCOc1ccc(C(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000151628673 704930904 /nfs/dbraw/zinc/93/09/04/704930904.db2.gz PRJDZYDCVZLUEZ-UHFFFAOYSA-N -1 3 360.207 3.097 20 30 FGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cc2c(s1)CCOC2 ZINC000171402134 705383291 /nfs/dbraw/zinc/38/32/91/705383291.db2.gz GRHGSBMNZKFMTQ-ZDUSSCGKSA-N -1 3 360.822 3.435 20 30 FGEDHM COc1ccc([C@@H](O)C/N=C\c2cc(Br)ccc2[O-])cc1 ZINC000255495688 713697407 /nfs/dbraw/zinc/69/74/07/713697407.db2.gz LMKZYRBIJFFHLB-RSFAQHHSSA-N -1 3 350.212 3.316 20 30 FGEDHM COc1cc(C=NN[C@@H]2CCOC(C)(C)C2)cc(Br)c1[O-] ZINC000780247962 724455532 /nfs/dbraw/zinc/45/55/32/724455532.db2.gz WSRVGNBWINVXAW-LLVKDONJSA-N -1 3 357.248 3.044 20 30 FGEDHM C=CCOCCSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000645028903 718177304 /nfs/dbraw/zinc/17/73/04/718177304.db2.gz IEMOJSAPCBDOTF-UHFFFAOYSA-N -1 3 362.842 3.469 20 30 FGEDHM Cc1cc(Br)c([O-])c(CN=Nc2nc(-c3ccncc3)no2)c1 ZINC000781591459 724576865 /nfs/dbraw/zinc/57/68/65/724576865.db2.gz GSMKEPGBRWZGFT-UHFFFAOYSA-N -1 3 374.198 3.354 20 30 FGEDHM C=CCC1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCOCC1 ZINC000657127113 719569517 /nfs/dbraw/zinc/56/95/17/719569517.db2.gz CBYWSWVGCXNOFQ-UHFFFAOYSA-N -1 3 350.267 3.397 20 30 FGEDHM CC(=NNCCC(=O)OC(C)(C)C)c1ccc(Br)cc1[O-] ZINC000783869292 724798795 /nfs/dbraw/zinc/79/87/95/724798795.db2.gz WRSUTJRHBYVLIO-UHFFFAOYSA-N -1 3 357.248 3.200 20 30 FGEDHM COc1ccc(C/N=C/c2c([O-])c(C)ncc2CO)c(C(F)(F)F)c1 ZINC000726428764 722434059 /nfs/dbraw/zinc/43/40/59/722434059.db2.gz DYXFQGRXEPZTPS-ODCIPOBUSA-N -1 3 354.328 3.234 20 30 FGEDHM Cc1[n-]ncc1S(=O)(=O)O[C@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC000734153652 722504726 /nfs/dbraw/zinc/50/47/26/722504726.db2.gz MMCXBZVXZVXMIE-GFCCVEGCSA-N -1 3 368.764 3.250 20 30 FGEDHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cccc(-c2ccc(C#N)s2)c1 ZINC000739972458 722534563 /nfs/dbraw/zinc/53/45/63/722534563.db2.gz NDYDOHCAPJKYHE-UHFFFAOYSA-N -1 3 373.459 3.370 20 30 FGEDHM O=C1[C@H](/N=C\c2cc(Br)ccc2[O-])CCN1Cc1ccccc1 ZINC000743538577 722568583 /nfs/dbraw/zinc/56/85/83/722568583.db2.gz NEVKSKCWUBFTRY-IWEBCOIVSA-N -1 3 373.250 3.375 20 30 FGEDHM Cc1ncc(CO)c(C=Nc2cc(C(F)(F)F)ccc2N(C)C)c1[O-] ZINC000747713211 722657731 /nfs/dbraw/zinc/65/77/31/722657731.db2.gz QMKOFYADVLHUHL-UHFFFAOYSA-N -1 3 353.344 3.423 20 30 FGEDHM [O-]c1ccc(CN=Nc2nc(-c3ccncc3)no2)cc1Br ZINC000750947814 722787341 /nfs/dbraw/zinc/78/73/41/722787341.db2.gz CRQGPJYYRYRMBE-UHFFFAOYSA-N -1 3 360.171 3.046 20 30 FGEDHM Cc1cc(S(=O)(=O)[N-]c2c(C)ccnc2Br)ccc1C#N ZINC000789736243 723069432 /nfs/dbraw/zinc/06/94/32/723069432.db2.gz WIIMJYUIRBTJIN-UHFFFAOYSA-N -1 3 366.240 3.133 20 30 FGEDHM O=c1c2c3c(sc2ncn1N=Cc1c(F)ccc([O-])c1F)CCCC3 ZINC000794457057 723524836 /nfs/dbraw/zinc/52/48/36/723524836.db2.gz SRRHUGFBDGTXLU-UHFFFAOYSA-N -1 3 361.373 3.203 20 30 FGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2ccc(OC)c(Cl)n2)cc1 ZINC000766843369 723595508 /nfs/dbraw/zinc/59/55/08/723595508.db2.gz WNNSJPFYRYBLBL-ZDUSSCGKSA-N -1 3 357.797 3.267 20 30 FGEDHM C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cnccc1C(F)(F)F ZINC000796096715 723620691 /nfs/dbraw/zinc/62/06/91/723620691.db2.gz FXPWGDKXNFEREB-AWEZNQCLSA-N -1 3 368.380 3.013 20 30 FGEDHM N#Cc1nc(C2CC2)oc1N1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000768800694 723667543 /nfs/dbraw/zinc/66/75/43/723667543.db2.gz KPJIRODZDZEMDF-UHFFFAOYSA-N -1 3 358.829 3.105 20 30 FGEDHM O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=NNc1c(F)cccc1Cl ZINC000774415192 723890723 /nfs/dbraw/zinc/89/07/23/723890723.db2.gz TTWGKGKZUSUNJG-UHFFFAOYSA-N -1 3 352.684 3.295 20 30 FGEDHM COC(=O)c1cc(N=Cc2ccc(O)c([O-])c2O)ccc1Br ZINC000774542868 723905079 /nfs/dbraw/zinc/90/50/79/723905079.db2.gz QFTLBVXLEUBLKZ-UHFFFAOYSA-N -1 3 366.167 3.103 20 30 FGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(Br)cc(F)c1OC ZINC000798467331 723934676 /nfs/dbraw/zinc/93/46/76/723934676.db2.gz VPRCGRZFGYSOSN-SNVBAGLBSA-N -1 3 366.252 3.230 20 30 FGEDHM CCOCCON=C(C)c1c[n-]c2ccc(Br)cc2c1=O ZINC000799885590 724108150 /nfs/dbraw/zinc/10/81/50/724108150.db2.gz JIUHZJYCNWHRIR-UHFFFAOYSA-N -1 3 353.216 3.068 20 30 FGEDHM C[C@H](OC(=O)c1cc2occc2[n-]1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000786031057 724955028 /nfs/dbraw/zinc/95/50/28/724955028.db2.gz IIAZJPWDCZMKMF-VIFPVBQESA-N -1 3 357.753 3.470 20 30 FGEDHM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)CCCc1ccc([O-])c(F)c1 ZINC000787847205 725039462 /nfs/dbraw/zinc/03/94/62/725039462.db2.gz ZRNNXDBRFUHYEW-CQSZACIVSA-N -1 3 351.418 3.210 20 30 FGEDHM COc1ccc(Br)c(CNN=Cc2ccc([O-])c(F)c2)c1 ZINC000788728898 725083991 /nfs/dbraw/zinc/08/39/91/725083991.db2.gz GMRNQNZZNWVLRS-UHFFFAOYSA-N -1 3 353.191 3.426 20 30 FGEDHM C=CCCCCCCNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000806004675 725109514 /nfs/dbraw/zinc/10/95/14/725109514.db2.gz NYYNQWWZNLUPMU-UHFFFAOYSA-N -1 3 363.424 3.223 20 30 FGEDHM CC(CC(F)(F)F)=N[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000814696041 726993306 /nfs/dbraw/zinc/99/33/06/726993306.db2.gz YLMFDAKWSSUKFG-UHFFFAOYSA-N -1 3 359.167 3.056 20 30 FGEDHM COCc1nc(Cl)cc(N=NCc2ccc([O-])c(Br)c2)n1 ZINC000814976906 727015937 /nfs/dbraw/zinc/01/59/37/727015937.db2.gz OQRWKIXKJZMKNH-UHFFFAOYSA-N -1 3 371.622 3.191 20 30 FGEDHM COC(=O)c1cc(C(=O)OCC#Cc2ccc(Cl)cc2Cl)c[n-]1 ZINC000816014477 727115833 /nfs/dbraw/zinc/11/58/33/727115833.db2.gz AYHCPWNBOXHUOK-UHFFFAOYSA-N -1 3 352.173 3.317 20 30 FGEDHM C=C(C)C[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C[N-]C(=O)C(F)(F)F ZINC000817490704 727257628 /nfs/dbraw/zinc/25/76/28/727257628.db2.gz SWQRMPJKLVCYII-GXTWGEPZSA-N -1 3 354.372 3.225 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC[C@H]1CC1(Cl)Cl ZINC000820207752 728974541 /nfs/dbraw/zinc/97/45/41/728974541.db2.gz ORMVAAPLUHADLQ-NSHDSACASA-N -1 3 357.237 3.335 20 30 FGEDHM Cc1ccc(C(=O)N[C@H]2CCCN([O-])C2=O)c(Sc2ccccc2)c1 ZINC000820470856 728997526 /nfs/dbraw/zinc/99/75/26/728997526.db2.gz HNXFWYVPQSBETI-INIZCTEOSA-N -1 3 356.447 3.256 20 30 FGEDHM Fc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000822765950 729218459 /nfs/dbraw/zinc/21/84/59/729218459.db2.gz CBUXPHGKEONSAH-UHFFFAOYSA-N -1 3 361.178 3.214 20 30 FGEDHM Fc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000822765950 729218462 /nfs/dbraw/zinc/21/84/62/729218462.db2.gz CBUXPHGKEONSAH-UHFFFAOYSA-N -1 3 361.178 3.214 20 30 FGEDHM Cn1ccnc1[C@@H]1C[C@H](/N=C\c2cc(Br)ccc2[O-])CCO1 ZINC000840709313 730164903 /nfs/dbraw/zinc/16/49/03/730164903.db2.gz ILAJBGKICCDKMG-GAGNQOMSSA-N -1 3 364.243 3.227 20 30 FGEDHM COCCc1ccc(OC[C@@H](O)C/N=C/c2cc(Cl)ccc2[O-])cc1 ZINC000849169315 731233368 /nfs/dbraw/zinc/23/33/68/731233368.db2.gz DUOHKUNQBCFOQE-RYFGYPJOSA-N -1 3 363.841 3.093 20 30 FGEDHM C#C[C@H]([N-]C(=O)C(F)(F)c1ccccc1Br)C1CCOCC1 ZINC000856100923 731981642 /nfs/dbraw/zinc/98/16/42/731981642.db2.gz OHOUZKHWLWQZPX-AWEZNQCLSA-N -1 3 372.209 3.086 20 30 FGEDHM CCCCCCCNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000858114003 732181692 /nfs/dbraw/zinc/18/16/92/732181692.db2.gz SDFFLBHETSLSDF-CYBMUJFWSA-N -1 3 351.413 3.057 20 30 FGEDHM C=C(C)C[C@@H](NCc1cn(-c2ccc(Cl)cc2Cl)nn1)C(=O)[O-] ZINC000864529345 733073548 /nfs/dbraw/zinc/07/35/48/733073548.db2.gz HTSWNUYXWZMFAG-CYBMUJFWSA-N -1 3 355.225 3.083 20 30 FGEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cnn(CC2CC2)c1 ZINC000870142808 733815904 /nfs/dbraw/zinc/81/59/04/733815904.db2.gz NSXOMYQIXDEPAG-CYBMUJFWSA-N -1 3 360.776 3.047 20 30 FGEDHM CC(C)Cn1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000892498634 740007521 /nfs/dbraw/zinc/00/75/21/740007521.db2.gz KYYIGEDXNOHIOS-LBPRGKRZSA-N -1 3 362.792 3.293 20 30 FGEDHM O=C(Cc1ccc([O-])c(F)c1)NCC(F)(C(F)(F)F)C(F)(F)F ZINC000899094589 742870468 /nfs/dbraw/zinc/87/04/68/742870468.db2.gz RHFDYFJTZZOZMB-UHFFFAOYSA-N -1 3 351.193 3.023 20 30 FGEDHM COc1cc([N+](=O)[O-])c(C(=O)N([O-])Cc2ccc(F)cc2)cc1SC ZINC000901373973 743261713 /nfs/dbraw/zinc/26/17/13/743261713.db2.gz BJPVEGSDQMNCSZ-UHFFFAOYSA-N -1 3 366.370 3.496 20 30 FGEDHM O=C(NC1CC1)C1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCC1 ZINC000901379300 743263913 /nfs/dbraw/zinc/26/39/13/743263913.db2.gz ZBUWGDLFHNGIDU-UHFFFAOYSA-N -1 3 357.237 3.160 20 30 FGEDHM O=C([O-])[C@@H](CC(F)(F)F)NCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000901780383 743639152 /nfs/dbraw/zinc/63/91/52/743639152.db2.gz QQNZNAGTIYEOIM-SECBINFHSA-N -1 3 363.229 3.262 20 30 FGEDHM Cc1c(C(=O)Nc2c(C)c(Br)ccc2[O-])cnn1CCC#N ZINC000908526322 744296207 /nfs/dbraw/zinc/29/62/07/744296207.db2.gz KFYIFRKIOCIJLM-UHFFFAOYSA-N -1 3 363.215 3.134 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCCCO3)cc1 ZINC000071814387 221379803 /nfs/dbraw/zinc/37/98/03/221379803.db2.gz HDJXNJVVOZXMFS-UHFFFAOYSA-N -1 3 364.810 3.174 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(-c2cnco2)c1 ZINC000048205227 493801140 /nfs/dbraw/zinc/80/11/40/493801140.db2.gz CHWXUGXFOUNMMU-UHFFFAOYSA-N -1 3 362.389 3.090 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)cc1 ZINC000072035762 494119089 /nfs/dbraw/zinc/11/90/89/494119089.db2.gz MOGLHFKDNDFPNO-QGZVFWFLSA-N -1 3 368.418 3.087 20 30 FGEDHM C=CCc1ccc(OCC(=O)Nc2nnc(-c3ccccn3)[n-]2)c(OC)c1 ZINC000053524266 494141283 /nfs/dbraw/zinc/14/12/83/494141283.db2.gz XDXQYQRLONQVCF-UHFFFAOYSA-N -1 3 365.393 3.271 20 30 FGEDHM C=CCc1ccc(OCC(=O)Nc2nc(-c3ccccn3)n[n-]2)c(OC)c1 ZINC000053524266 494141287 /nfs/dbraw/zinc/14/12/87/494141287.db2.gz XDXQYQRLONQVCF-UHFFFAOYSA-N -1 3 365.393 3.271 20 30 FGEDHM C=CCc1ccc(OCC(=O)Nc2n[n-]c(-c3ccccn3)n2)c(OC)c1 ZINC000053524266 494141290 /nfs/dbraw/zinc/14/12/90/494141290.db2.gz XDXQYQRLONQVCF-UHFFFAOYSA-N -1 3 365.393 3.271 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C)Sc2ccccc21 ZINC000088224394 494216362 /nfs/dbraw/zinc/21/63/62/494216362.db2.gz UHMVQTRMNKJWDS-LBPRGKRZSA-N -1 3 367.474 3.323 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc2ccccc2c1 ZINC000045201488 494406032 /nfs/dbraw/zinc/40/60/32/494406032.db2.gz BPVGYIXTQUGQFK-UHFFFAOYSA-N -1 3 359.429 3.266 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H]1CCc2ccccc21 ZINC000580284019 505722506 /nfs/dbraw/zinc/72/25/06/505722506.db2.gz IAPAOPAGGKSFEM-KRWDZBQOSA-N -1 3 363.461 3.445 20 30 FGEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cccc(CC#N)c3)c2)n1 ZINC000046067280 494492254 /nfs/dbraw/zinc/49/22/54/494492254.db2.gz ICHGDLBDNPSLEH-UHFFFAOYSA-N -1 3 358.401 3.318 20 30 FGEDHM C=CC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000116856674 494863038 /nfs/dbraw/zinc/86/30/38/494863038.db2.gz VYPYKRYQXVLACZ-CYBMUJFWSA-N -1 3 362.426 3.321 20 30 FGEDHM N#Cc1ccccc1OC1CCC([N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000111366737 495067379 /nfs/dbraw/zinc/06/73/79/495067379.db2.gz XUNHTQDGOVJYRV-UHFFFAOYSA-N -1 3 374.437 3.366 20 30 FGEDHM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2Cl)cc1C ZINC000123725378 495177108 /nfs/dbraw/zinc/17/71/08/495177108.db2.gz ULVGANWBUQQKCW-UHFFFAOYSA-N -1 3 364.810 3.108 20 30 FGEDHM CCCC[C@@H](COC)[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000129009151 495182147 /nfs/dbraw/zinc/18/21/47/495182147.db2.gz XREGTTFZEJZYKA-LBPRGKRZSA-N -1 3 364.389 3.061 20 30 FGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]Cc1ccc(-c2cccnc2)cc1 ZINC000123917503 495207166 /nfs/dbraw/zinc/20/71/66/495207166.db2.gz IPWWMRNJVCUDBU-UHFFFAOYSA-N -1 3 367.405 3.238 20 30 FGEDHM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C#N)cc3F)cc(Cl)c2O1 ZINC000135370089 495283760 /nfs/dbraw/zinc/28/37/60/495283760.db2.gz XVXBUNLRNYIWDT-VIFPVBQESA-N -1 3 366.801 3.475 20 30 FGEDHM Cc1cccc([C@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000115286519 495484826 /nfs/dbraw/zinc/48/48/26/495484826.db2.gz NPFYLMUYZBZJBV-HNNXBMFYSA-N -1 3 351.450 3.290 20 30 FGEDHM CC(F)(F)C[N-]C(=O)[C@@](N)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000580620036 505799171 /nfs/dbraw/zinc/79/91/71/505799171.db2.gz SMUJVFOIDHOHHK-NSHDSACASA-N -1 3 364.236 3.193 20 30 FGEDHM CCC(CC)[C@@H]1C[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2C#N)CCO1 ZINC000179862348 495762289 /nfs/dbraw/zinc/76/22/89/495762289.db2.gz KMHZRPMDYWPHRV-CJNGLKHVSA-N -1 3 370.902 3.474 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OC(F)F)cc2)c(Cl)c1 ZINC000183416067 495972823 /nfs/dbraw/zinc/97/28/23/495972823.db2.gz AOHJWKWGDYJPJS-UHFFFAOYSA-N -1 3 372.780 3.292 20 30 FGEDHM CC(C)c1nc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)cs1 ZINC000183633232 496055835 /nfs/dbraw/zinc/05/58/35/496055835.db2.gz KOQNXWQDRKFKAS-UHFFFAOYSA-N -1 3 369.899 3.313 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(c3cccc(F)c3)CC2)c(Cl)c1 ZINC000183712962 496090426 /nfs/dbraw/zinc/09/04/26/496090426.db2.gz LLQUEYXOMNIRTF-UHFFFAOYSA-N -1 3 350.802 3.318 20 30 FGEDHM Cc1nnc(-c2cccc(C([O-])=C(C#N)c3nc4ccccc4n3C)c2)o1 ZINC000161169486 496119257 /nfs/dbraw/zinc/11/92/57/496119257.db2.gz NETFERXRXAEGHM-HNNXBMFYSA-N -1 3 357.373 3.422 20 30 FGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@@H](c1ccco1)c1ccccc1 ZINC000156240189 496195187 /nfs/dbraw/zinc/19/51/87/496195187.db2.gz FKOUXJUABGMAIA-GOSISDBHSA-N -1 3 356.378 3.358 20 30 FGEDHM C#CCC(C)(C)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000184565705 496443033 /nfs/dbraw/zinc/44/30/33/496443033.db2.gz KEARHKWQXVLWGI-UHFFFAOYSA-N -1 3 362.857 3.272 20 30 FGEDHM CCC[C@H](C)c1cc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)n[nH]1 ZINC000173342075 496650549 /nfs/dbraw/zinc/65/05/49/496650549.db2.gz YTBLHRUSKQSRDI-NSHDSACASA-N -1 3 355.442 3.061 20 30 FGEDHM Cc1nc(C[N-]S(=O)(=O)CC2(C#N)CC2)oc1-c1ccc(Cl)cc1 ZINC000165952972 496674637 /nfs/dbraw/zinc/67/46/37/496674637.db2.gz MDZMMFJBYDQCQR-UHFFFAOYSA-N -1 3 365.842 3.027 20 30 FGEDHM C[C@H]1CCCc2nc(S(=O)(=O)[N-][C@@H]3CCCc4cc(C#N)ccc43)cn21 ZINC000580881996 505860147 /nfs/dbraw/zinc/86/01/47/505860147.db2.gz IVKZJWPTMMUJDH-SUMWQHHRSA-N -1 3 370.478 3.008 20 30 FGEDHM O=C1[N-][C@@H](CC(F)(F)F)C(=O)N1Cc1ccc(F)cc1C(F)(F)F ZINC000277542390 496807319 /nfs/dbraw/zinc/80/73/19/496807319.db2.gz WDBGBOYQHVYPDN-VIFPVBQESA-N -1 3 358.213 3.217 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](c2ccccc2F)C1 ZINC000264344039 496878162 /nfs/dbraw/zinc/87/81/62/496878162.db2.gz BNFWQNHNIFUCDG-HNNXBMFYSA-N -1 3 367.424 3.364 20 30 FGEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc(C(C)=O)cc2)C1=O ZINC000264878363 497003731 /nfs/dbraw/zinc/00/37/31/497003731.db2.gz SHYKZGGORNRDAM-HXUWFJFHSA-N -1 3 373.453 3.205 20 30 FGEDHM Cc1csc(C2(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)CCC2)n1 ZINC000265360700 497107864 /nfs/dbraw/zinc/10/78/64/497107864.db2.gz ZPTDCMFAPMYVBT-UHFFFAOYSA-N -1 3 370.478 3.169 20 30 FGEDHM COc1cc(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)cc(OC)c1[O-] ZINC000270737487 497191761 /nfs/dbraw/zinc/19/17/61/497191761.db2.gz ANXWCSBWJVANCM-UHFFFAOYSA-N -1 3 356.378 3.321 20 30 FGEDHM N#Cc1ccc(Cc2cnc(NC(=O)c3ccc4n[n-]nc4c3)s2)cc1 ZINC000192862146 497232419 /nfs/dbraw/zinc/23/24/19/497232419.db2.gz FJMQLJBZRXEVLY-UHFFFAOYSA-N -1 3 360.402 3.129 20 30 FGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCc3c(O)cccc32)c1 ZINC000190346151 497444940 /nfs/dbraw/zinc/44/49/40/497444940.db2.gz PIHYIJRMSKNVJZ-HNNXBMFYSA-N -1 3 362.838 3.273 20 30 FGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@@H](C)COC ZINC000572413086 505962484 /nfs/dbraw/zinc/96/24/84/505962484.db2.gz NAUZKKJYLCNZEE-JSGCOSHPSA-N -1 3 361.891 3.387 20 30 FGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000572413087 505962618 /nfs/dbraw/zinc/96/26/18/505962618.db2.gz NAUZKKJYLCNZEE-OCCSQVGLSA-N -1 3 361.891 3.387 20 30 FGEDHM Cc1ccc(Cc2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)s1 ZINC000289249570 498077725 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FGEDHM N#Cc1cccc(CN2C(=O)CC[C@@H]2c2nc(-c3ccc([O-])cc3)no2)c1 ZINC000366425588 498920593 /nfs/dbraw/zinc/92/05/93/498920593.db2.gz CLGPNTNQIGDPHG-QGZVFWFLSA-N -1 3 360.373 3.178 20 30 FGEDHM Cc1cc([N+](=O)[O-])cc(C(=O)[N-]c2nc3c(cc2C#N)CCCC3)c1F ZINC000284251787 499077094 /nfs/dbraw/zinc/07/70/94/499077094.db2.gz PXLIIZQFXSPHKV-UHFFFAOYSA-N -1 3 354.341 3.440 20 30 FGEDHM C[C@]1(C[C@H]2CCCN2C(=O)N[C@@H]2C[C@H]2C2CCCCC2)NC(=O)[N-]C1=O ZINC000329317249 499098036 /nfs/dbraw/zinc/09/80/36/499098036.db2.gz DDEDWYWNYDYUSU-NXEZDXNNSA-N -1 3 362.474 3.367 20 30 FGEDHM COc1cccc(C(=O)C(C(=S)[N-]C2(C)CC2)[n+]2cc([O-])ccc2C)c1 ZINC000284380709 499098319 /nfs/dbraw/zinc/09/83/19/499098319.db2.gz LYGHJBZCLSUHAZ-UHFFFAOYSA-O -1 3 371.482 3.078 20 30 FGEDHM Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1C#N ZINC000367011160 499133667 /nfs/dbraw/zinc/13/36/67/499133667.db2.gz PQRDMYDUJWGBGL-UHFFFAOYSA-N -1 3 363.417 3.063 20 30 FGEDHM CC(C)c1nc(S(=O)(=O)[N-][C@@H](CCCC#N)c2ccccc2)cn1C ZINC000416485948 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N#Cc1c(Br)cccc1S(=O)(=O)[N-]CCC1=CCCC1 ZINC000557841056 505244016 /nfs/dbraw/zinc/24/40/16/505244016.db2.gz HLIFCQZFIKRKKW-UHFFFAOYSA-N -1 3 355.257 3.099 20 30 FGEDHM CCCCOc1ccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)cc1Cl ZINC000557846670 505244803 /nfs/dbraw/zinc/24/48/03/505244803.db2.gz KPCXEDZQKOMDGU-UHFFFAOYSA-N -1 3 368.842 3.462 20 30 FGEDHM C[C@H]1Oc2cc(F)ccc2[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000557862971 505249239 /nfs/dbraw/zinc/24/92/39/505249239.db2.gz HQJYSCWWEXYLTD-JDNHERCYSA-N -1 3 366.801 3.151 20 30 FGEDHM Cc1cc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc(C#N)n1 ZINC000561134642 505259357 /nfs/dbraw/zinc/25/93/57/505259357.db2.gz ZAVBOOUZIXCVFX-UHFFFAOYSA-N -1 3 370.840 3.476 20 30 FGEDHM Cc1ccc(CS(=O)(=O)[N-]c2cc(C)c(N(C)C)cc2C#N)cc1C ZINC000563924161 505277270 /nfs/dbraw/zinc/27/72/70/505277270.db2.gz WNALHBNPVPVFLY-UHFFFAOYSA-N -1 3 357.479 3.491 20 30 FGEDHM N#CC(=C([O-])c1ccc(C(=O)NC2CC2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000567007702 505337353 /nfs/dbraw/zinc/33/73/53/505337353.db2.gz WBDLAZMWGOVCQE-HNNXBMFYSA-N -1 3 373.334 3.483 20 30 FGEDHM CC(C)(C#N)CCS(=O)(=O)[N-][C@H]1COc2c1ccc(Cl)c2Cl ZINC000564341367 505389690 /nfs/dbraw/zinc/38/96/90/505389690.db2.gz IGMNERIYMUUBRJ-NSHDSACASA-N -1 3 363.266 3.286 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ncsc2Cl)no1 ZINC000562283860 505561008 /nfs/dbraw/zinc/56/10/08/505561008.db2.gz YGOGWZPMQLVZPV-UHFFFAOYSA-N -1 3 361.814 3.221 20 30 FGEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000588942801 506389459 /nfs/dbraw/zinc/38/94/59/506389459.db2.gz JRTFPOYJBJOSOV-VIFPVBQESA-N -1 3 365.680 3.319 20 30 FGEDHM N#Cc1ncc([N-]S(=O)(=O)CCC2Cc3ccccc3C2)cc1Cl ZINC000583088143 506583412 /nfs/dbraw/zinc/58/34/12/506583412.db2.gz UPKQQBOQOFOBMN-UHFFFAOYSA-N -1 3 361.854 3.153 20 30 FGEDHM N#Cc1sccc1S(=O)(=O)[N-]CC1(Sc2ccccc2)CC1 ZINC000593542147 506678302 /nfs/dbraw/zinc/67/83/02/506678302.db2.gz SCSSHWGYTLGSNA-UHFFFAOYSA-N -1 3 350.490 3.223 20 30 FGEDHM Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593559757 506683530 /nfs/dbraw/zinc/68/35/30/506683530.db2.gz YVKWSVYZSRJINY-YOEHRIQHSA-N -1 3 362.476 3.127 20 30 FGEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000593557496 506683851 /nfs/dbraw/zinc/68/38/51/506683851.db2.gz CZNDIKIDXFMOTI-NXEZZACHSA-N -1 3 352.403 3.267 20 30 FGEDHM C[C@@H]1Oc2ccccc2[C@@H]1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593596713 506696655 /nfs/dbraw/zinc/69/66/55/506696655.db2.gz TYALQMDDTNPPAN-SCLBCKFNSA-N -1 3 356.447 3.288 20 30 FGEDHM Cc1nc(C)c(CC(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)c(=O)[n-]1 ZINC000609287000 506834683 /nfs/dbraw/zinc/83/46/83/506834683.db2.gz WBMFVFWZFFZNSM-ZDUSSCGKSA-N -1 3 365.220 3.029 20 30 FGEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1cccc(Cl)c1 ZINC000583715477 506931097 /nfs/dbraw/zinc/93/10/97/506931097.db2.gz KIYLHPZTBGXSFQ-HNNXBMFYSA-N -1 3 368.817 3.017 20 30 FGEDHM CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)[N-]c1cc(C)cc(C#N)c1 ZINC000600653747 507051360 /nfs/dbraw/zinc/05/13/60/507051360.db2.gz NJRHTHVUAHRIJU-SFHVURJKSA-N -1 3 362.426 3.005 20 30 FGEDHM COc1ccc(F)cc1S(=O)(=O)[N-]C1(c2ccc(C#N)cc2)CCC1 ZINC000594482374 507151108 /nfs/dbraw/zinc/15/11/08/507151108.db2.gz VZWMPQAABJMXST-UHFFFAOYSA-N -1 3 360.410 3.064 20 30 FGEDHM C[N-]S(=O)(=O)c1cc(NCc2ccc(C(C)(C)C#N)cc2)ccc1F ZINC000594506586 507159208 /nfs/dbraw/zinc/15/92/08/507159208.db2.gz CLXRPEWODWPBKK-UHFFFAOYSA-N -1 3 361.442 3.147 20 30 FGEDHM O=C(Nc1cccc(C#Cc2ccccc2)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591425401 507245981 /nfs/dbraw/zinc/24/59/81/507245981.db2.gz UAGJYABYHMHYQC-UHFFFAOYSA-N -1 3 366.376 3.222 20 30 FGEDHM CC[C@@H]1C[C@@H]([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CCO1 ZINC000594784832 507280792 /nfs/dbraw/zinc/28/07/92/507280792.db2.gz DOOITVIXZVDZLD-UONOGXRCSA-N -1 3 364.492 3.317 20 30 FGEDHM C=CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000594789338 507281235 /nfs/dbraw/zinc/28/12/35/507281235.db2.gz LNNIKHPQUWMISE-JSGCOSHPSA-N -1 3 355.431 3.026 20 30 FGEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC ZINC000594790809 507282095 /nfs/dbraw/zinc/28/20/95/507282095.db2.gz XNCREHAUFIIUHR-CHWSQXEVSA-N -1 3 354.428 3.017 20 30 FGEDHM CC(C)(C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)[C@H]1CCCCO1 ZINC000613934438 507306078 /nfs/dbraw/zinc/30/60/78/507306078.db2.gz MPBJTHKATBIRDK-OAHLLOKOSA-N -1 3 356.875 3.085 20 30 FGEDHM CC(C)COC[C@@H]([N-]S(=O)(=O)c1ccccc1CC#N)c1ccco1 ZINC000601332487 507337162 /nfs/dbraw/zinc/33/71/62/507337162.db2.gz LOWWQEJXVIQYOZ-MRXNPFEDSA-N -1 3 362.451 3.038 20 30 FGEDHM CC(C)(C#N)c1ccc(CN2CCN(C(=O)c3cccc([O-])c3)CC2)cc1 ZINC000614175506 507395442 /nfs/dbraw/zinc/39/54/42/507395442.db2.gz QSISLIUPUFSMRB-UHFFFAOYSA-N -1 3 363.461 3.151 20 30 FGEDHM C[C@H]1C[C@@H](N(C)C(=O)c2cc([O-])cc(C#N)c2)CCN1Cc1ccccc1 ZINC000614298818 507446063 /nfs/dbraw/zinc/44/60/63/507446063.db2.gz HMGMQGURSPKSGR-JXFKEZNVSA-N -1 3 363.461 3.389 20 30 FGEDHM CCc1nc(S(=O)(=O)[N-][C@@H](CCC#N)c2ccccc2)cn1CC1CC1 ZINC000595320779 507459212 /nfs/dbraw/zinc/45/92/12/507459212.db2.gz HWXFLJNAKCUBEP-KRWDZBQOSA-N -1 3 372.494 3.179 20 30 FGEDHM CC1(C)[C@H](C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1(F)F ZINC000595349945 507468028 /nfs/dbraw/zinc/46/80/28/507468028.db2.gz BTGIMWZHEWXWRS-NSHDSACASA-N -1 3 368.327 3.147 20 30 FGEDHM N#CC1(C(=O)Nc2cc(I)ccc2[O-])CCCC1 ZINC000611156302 507537785 /nfs/dbraw/zinc/53/77/85/507537785.db2.gz ATDSUOSJDRPUQE-UHFFFAOYSA-N -1 3 356.163 3.019 20 30 FGEDHM N#Cc1c([N-]C(=O)c2cnc(OCC3CC3)cn2)sc2c1CCCC2 ZINC000585733439 507609069 /nfs/dbraw/zinc/60/90/69/507609069.db2.gz ZCGILCIDHKPJGE-UHFFFAOYSA-N -1 3 354.435 3.330 20 30 FGEDHM N#Cc1cccc(CN2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)n1 ZINC000602443932 507712734 /nfs/dbraw/zinc/71/27/34/507712734.db2.gz BJGRWWIULNPAJJ-UHFFFAOYSA-N -1 3 370.840 3.163 20 30 FGEDHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)N1CC[C@H]2CCC[C@H]21 ZINC000330328105 568244948 /nfs/dbraw/zinc/24/49/48/568244948.db2.gz VWSKATGPNJYSLL-MLGOLLRUSA-N -1 3 371.462 3.429 20 30 FGEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(OC(C)C)cc1 ZINC000819772600 607252465 /nfs/dbraw/zinc/25/24/65/607252465.db2.gz HKZLVMYPKIXIHK-UHFFFAOYSA-N -1 3 350.426 3.168 20 30 FGEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(OC(C)C)cc1 ZINC000819772600 607252466 /nfs/dbraw/zinc/25/24/66/607252466.db2.gz HKZLVMYPKIXIHK-UHFFFAOYSA-N -1 3 350.426 3.168 20 30 FGEDHM Fc1ccccc1-c1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822792280 607254915 /nfs/dbraw/zinc/25/49/15/607254915.db2.gz UMIIRTIJJIJOBY-UHFFFAOYSA-N -1 3 362.368 3.390 20 30 FGEDHM C=CCCCCCN(C)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OCC ZINC000735408247 598904777 /nfs/dbraw/zinc/90/47/77/598904777.db2.gz JAARIJXPEKUIRQ-UHFFFAOYSA-N -1 3 358.446 3.476 20 30 FGEDHM C=CCCCCCN(C)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OCC ZINC000735408247 598904779 /nfs/dbraw/zinc/90/47/79/598904779.db2.gz JAARIJXPEKUIRQ-UHFFFAOYSA-N -1 3 358.446 3.476 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cc3c(cccc3F)s2)cc1-c1nnn[n-]1 ZINC000737718022 598914590 /nfs/dbraw/zinc/91/45/90/598914590.db2.gz DKOOMWXOGJKLRN-UHFFFAOYSA-N -1 3 364.365 3.344 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cc3c(cccc3F)s2)cc1-c1nn[n-]n1 ZINC000737718022 598914591 /nfs/dbraw/zinc/91/45/91/598914591.db2.gz DKOOMWXOGJKLRN-UHFFFAOYSA-N -1 3 364.365 3.344 20 30 FGEDHM N#Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000737710034 598915495 /nfs/dbraw/zinc/91/54/95/598915495.db2.gz UKLNJIUKEUFUDT-UHFFFAOYSA-N -1 3 358.283 3.009 20 30 FGEDHM N#Cc1cc(NC(=O)c2ccccc2C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000737710034 598915497 /nfs/dbraw/zinc/91/54/97/598915497.db2.gz UKLNJIUKEUFUDT-UHFFFAOYSA-N -1 3 358.283 3.009 20 30 FGEDHM N#Cc1cc(NC(=O)Cc2ccc(Cl)cc2Cl)ccc1-c1nnn[n-]1 ZINC000737708489 598915871 /nfs/dbraw/zinc/91/58/71/598915871.db2.gz GKUKXCNKEBUUPA-UHFFFAOYSA-N -1 3 373.203 3.226 20 30 FGEDHM N#Cc1cc(NC(=O)Cc2ccc(Cl)cc2Cl)ccc1-c1nn[n-]n1 ZINC000737708489 598915872 /nfs/dbraw/zinc/91/58/72/598915872.db2.gz GKUKXCNKEBUUPA-UHFFFAOYSA-N -1 3 373.203 3.226 20 30 FGEDHM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737214101 598920240 /nfs/dbraw/zinc/92/02/40/598920240.db2.gz FNHIQLBDPVEEKE-UHFFFAOYSA-N -1 3 362.324 3.184 20 30 FGEDHM Cc1c2cc(F)ccc2oc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737214101 598920242 /nfs/dbraw/zinc/92/02/42/598920242.db2.gz FNHIQLBDPVEEKE-UHFFFAOYSA-N -1 3 362.324 3.184 20 30 FGEDHM N#Cc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)ccc1-c1nnn[n-]1 ZINC000737709175 598926738 /nfs/dbraw/zinc/92/67/38/598926738.db2.gz KLOQFAWTMGKGTH-UHFFFAOYSA-N -1 3 374.335 3.390 20 30 FGEDHM N#Cc1cc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)ccc1-c1nn[n-]n1 ZINC000737709175 598926739 /nfs/dbraw/zinc/92/67/39/598926739.db2.gz KLOQFAWTMGKGTH-UHFFFAOYSA-N -1 3 374.335 3.390 20 30 FGEDHM N#Cc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1-c1nnn[n-]1 ZINC000737716914 598928478 /nfs/dbraw/zinc/92/84/78/598928478.db2.gz WRNJDAGOHZFCIO-UHFFFAOYSA-N -1 3 371.404 3.181 20 30 FGEDHM N#Cc1ccc(NC(=O)CCCc2c[nH]c3ccccc23)cc1-c1nn[n-]n1 ZINC000737716914 598928479 /nfs/dbraw/zinc/92/84/79/598928479.db2.gz WRNJDAGOHZFCIO-UHFFFAOYSA-N -1 3 371.404 3.181 20 30 FGEDHM C=CCOc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)cc1Cl ZINC000819759308 607253175 /nfs/dbraw/zinc/25/31/75/607253175.db2.gz SYRGETJOBQNOQL-UHFFFAOYSA-N -1 3 368.828 3.209 20 30 FGEDHM C=CCOc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)cc1Cl ZINC000819759308 607253176 /nfs/dbraw/zinc/25/31/76/607253176.db2.gz SYRGETJOBQNOQL-UHFFFAOYSA-N -1 3 368.828 3.209 20 30 FGEDHM Cc1cc(Br)ccc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822161636 607253893 /nfs/dbraw/zinc/25/38/93/607253893.db2.gz RHJKTWOMHHIYPJ-UHFFFAOYSA-N -1 3 371.242 3.061 20 30 FGEDHM Cc1cc(Br)ccc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822161636 607253894 /nfs/dbraw/zinc/25/38/94/607253894.db2.gz RHJKTWOMHHIYPJ-UHFFFAOYSA-N -1 3 371.242 3.061 20 30 FGEDHM Fc1ccc(C(F)(F)F)cc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822767254 607254718 /nfs/dbraw/zinc/25/47/18/607254718.db2.gz ZJIYVZUMENYIIE-UHFFFAOYSA-N -1 3 364.306 3.148 20 30 FGEDHM Fc1ccc(C(F)(F)F)cc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822767254 607254719 /nfs/dbraw/zinc/25/47/19/607254719.db2.gz ZJIYVZUMENYIIE-UHFFFAOYSA-N -1 3 364.306 3.148 20 30 FGEDHM Fc1ccccc1-c1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822792280 607254914 /nfs/dbraw/zinc/25/49/14/607254914.db2.gz UMIIRTIJJIJOBY-UHFFFAOYSA-N -1 3 362.368 3.390 20 30 FGEDHM COc1ccc(C)cc1C(=O)C=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000737077745 599152522 /nfs/dbraw/zinc/15/25/22/599152522.db2.gz XLKNWVSXKMHFFZ-FNORWQNLSA-N -1 3 350.378 3.088 20 30 FGEDHM COc1ccc(C)cc1C(=O)C=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000737077745 599152524 /nfs/dbraw/zinc/15/25/24/599152524.db2.gz XLKNWVSXKMHFFZ-FNORWQNLSA-N -1 3 350.378 3.088 20 30 FGEDHM N#Cc1ccc(SCc2cn3ccccc3c2-c2nnn[n-]2)c(F)c1 ZINC000737722452 599172246 /nfs/dbraw/zinc/17/22/46/599172246.db2.gz JLRDKYWPSSTUPJ-UHFFFAOYSA-N -1 3 350.382 3.422 20 30 FGEDHM N#Cc1ccc(SCc2cn3ccccc3c2-c2nn[n-]n2)c(F)c1 ZINC000737722452 599172247 /nfs/dbraw/zinc/17/22/47/599172247.db2.gz JLRDKYWPSSTUPJ-UHFFFAOYSA-N -1 3 350.382 3.422 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(C)ccc2F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737345442 599193968 /nfs/dbraw/zinc/19/39/68/599193968.db2.gz REZYTYZHADLJDK-VURMDHGXSA-N -1 3 351.385 3.266 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(C)ccc2F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737345442 599193970 /nfs/dbraw/zinc/19/39/70/599193970.db2.gz REZYTYZHADLJDK-VURMDHGXSA-N -1 3 351.385 3.266 20 30 FGEDHM CC[C@H](Sc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736391816 599199019 /nfs/dbraw/zinc/19/90/19/599199019.db2.gz PDAVVPJVCYXVSK-INIZCTEOSA-N -1 3 364.434 3.248 20 30 FGEDHM CC[C@H](Sc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736391816 599199021 /nfs/dbraw/zinc/19/90/21/599199021.db2.gz PDAVVPJVCYXVSK-INIZCTEOSA-N -1 3 364.434 3.248 20 30 FGEDHM Cc1cc(F)cc2c1ncc(C#N)c2N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737264851 599270411 /nfs/dbraw/zinc/27/04/11/599270411.db2.gz VIMVSZOAHPIPOQ-UHFFFAOYSA-N -1 3 373.395 3.371 20 30 FGEDHM Cc1cc(F)cc2c1ncc(C#N)c2N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737264851 599270412 /nfs/dbraw/zinc/27/04/12/599270412.db2.gz VIMVSZOAHPIPOQ-UHFFFAOYSA-N -1 3 373.395 3.371 20 30 FGEDHM Cc1ncc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000737491297 598314993 /nfs/dbraw/zinc/31/49/93/598314993.db2.gz GWRQITIJBGJSPQ-UHFFFAOYSA-N -1 3 353.333 3.096 20 30 FGEDHM Cc1ncc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000737491297 598314994 /nfs/dbraw/zinc/31/49/94/598314994.db2.gz GWRQITIJBGJSPQ-UHFFFAOYSA-N -1 3 353.333 3.096 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](SCC)C(C)C ZINC000735418568 598443785 /nfs/dbraw/zinc/44/37/85/598443785.db2.gz FIGCQIUGGMLJBH-MRXNPFEDSA-N -1 3 359.499 3.159 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](SCC)C(C)C ZINC000735418568 598443787 /nfs/dbraw/zinc/44/37/87/598443787.db2.gz FIGCQIUGGMLJBH-MRXNPFEDSA-N -1 3 359.499 3.159 20 30 FGEDHM N#CCCSc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737695694 598495603 /nfs/dbraw/zinc/49/56/03/598495603.db2.gz VXLRBHWSRKAOBS-UHFFFAOYSA-N -1 3 350.407 3.125 20 30 FGEDHM N#CCCSc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737695694 598495605 /nfs/dbraw/zinc/49/56/05/598495605.db2.gz VXLRBHWSRKAOBS-UHFFFAOYSA-N -1 3 350.407 3.125 20 30 FGEDHM N#Cc1cc(F)ccc1CSc1nc2c(cc1-c1nnn[n-]1)CCCC2 ZINC000737705124 598644715 /nfs/dbraw/zinc/64/47/15/598644715.db2.gz MYPZCRSQNYTHHE-UHFFFAOYSA-N -1 3 366.425 3.444 20 30 FGEDHM N#Cc1cc(F)ccc1CSc1nc2c(cc1-c1nn[n-]n1)CCCC2 ZINC000737705124 598644716 /nfs/dbraw/zinc/64/47/16/598644716.db2.gz MYPZCRSQNYTHHE-UHFFFAOYSA-N -1 3 366.425 3.444 20 30 FGEDHM CC(C)Oc1ccccc1C=NOCc1ccc(F)cc1-c1nnn[n-]1 ZINC000735913870 598674067 /nfs/dbraw/zinc/67/40/67/598674067.db2.gz MAOHAMAJTHQIDX-UHFFFAOYSA-N -1 3 355.373 3.344 20 30 FGEDHM CC(C)Oc1ccccc1C=NOCc1ccc(F)cc1-c1nn[n-]n1 ZINC000735913870 598674068 /nfs/dbraw/zinc/67/40/68/598674068.db2.gz MAOHAMAJTHQIDX-UHFFFAOYSA-N -1 3 355.373 3.344 20 30 FGEDHM Fc1ccc(CON=Cc2ccccc2OC(F)F)c(-c2nnn[n-]2)c1 ZINC000737647380 598674808 /nfs/dbraw/zinc/67/48/08/598674808.db2.gz CVVJCSKZONEAFB-UHFFFAOYSA-N -1 3 363.299 3.158 20 30 FGEDHM Fc1ccc(CON=Cc2ccccc2OC(F)F)c(-c2nn[n-]n2)c1 ZINC000737647380 598674809 /nfs/dbraw/zinc/67/48/09/598674809.db2.gz CVVJCSKZONEAFB-UHFFFAOYSA-N -1 3 363.299 3.158 20 30 FGEDHM Fc1ccc(C(F)(F)F)cc1C=NNc1ccc(-c2nn[n-]n2)cc1 ZINC000737648001 598820500 /nfs/dbraw/zinc/82/05/00/598820500.db2.gz GJEXZUHDNXRGAF-UHFFFAOYSA-N -1 3 350.279 3.471 20 30 FGEDHM COc1cccc(O)c1C=Nc1ccc(OC(C)C)c(-c2nnn[n-]2)c1 ZINC000821873763 607368098 /nfs/dbraw/zinc/36/80/98/607368098.db2.gz XUFWPPXDHOIJFP-UHFFFAOYSA-N -1 3 353.382 3.119 20 30 FGEDHM COc1cccc(O)c1C=Nc1ccc(OC(C)C)c(-c2nn[n-]n2)c1 ZINC000821873763 607368100 /nfs/dbraw/zinc/36/81/00/607368100.db2.gz XUFWPPXDHOIJFP-UHFFFAOYSA-N -1 3 353.382 3.119 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cccc(Cl)c1 ZINC000737807573 599462428 /nfs/dbraw/zinc/46/24/28/599462428.db2.gz PMHWRXZYCQLXJU-AATRIKPKSA-N -1 3 350.769 3.064 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cccc(Cl)c1 ZINC000737807573 599462429 /nfs/dbraw/zinc/46/24/29/599462429.db2.gz PMHWRXZYCQLXJU-AATRIKPKSA-N -1 3 350.769 3.064 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)nc2ccccn21 ZINC000735450997 599534175 /nfs/dbraw/zinc/53/41/75/599534175.db2.gz MHJSIPWDHLECJZ-UHFFFAOYSA-N -1 3 352.789 3.004 20 30 FGEDHM CCC(CC)(C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccccc1 ZINC000820882565 599632064 /nfs/dbraw/zinc/63/20/64/599632064.db2.gz UBQJXRCYUFYFDM-UHFFFAOYSA-N -1 3 360.421 3.435 20 30 FGEDHM CCC(CC)(C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccccc1 ZINC000820882565 599632065 /nfs/dbraw/zinc/63/20/65/599632065.db2.gz UBQJXRCYUFYFDM-UHFFFAOYSA-N -1 3 360.421 3.435 20 30 FGEDHM Cc1ccc2c(c1C)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)CO2 ZINC000822280678 607460176 /nfs/dbraw/zinc/46/01/76/607460176.db2.gz VXFRZLFUDWFBQW-VGOFMYFVSA-N -1 3 350.353 3.281 20 30 FGEDHM Cc1ccc2c(c1C)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)CO2 ZINC000822280678 607460177 /nfs/dbraw/zinc/46/01/77/607460177.db2.gz VXFRZLFUDWFBQW-VGOFMYFVSA-N -1 3 350.353 3.281 20 30 FGEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)CC2 ZINC000821849849 607459561 /nfs/dbraw/zinc/45/95/61/607459561.db2.gz RWOFCPNFZUGTSF-MDWZMJQESA-N -1 3 350.353 3.227 20 30 FGEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)CC2 ZINC000821849849 607459562 /nfs/dbraw/zinc/45/95/62/607459562.db2.gz RWOFCPNFZUGTSF-MDWZMJQESA-N -1 3 350.353 3.227 20 30 FGEDHM CCc1cccc(CC)c1NC(=O)C(C#N)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000830265834 601236231 /nfs/dbraw/zinc/23/62/31/601236231.db2.gz SVETZSKLXSUASS-YESZJQIVSA-N -1 3 370.449 3.350 20 30 FGEDHM CN(Cc1cccc(C#N)c1)c1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC000821613375 607496540 /nfs/dbraw/zinc/49/65/40/607496540.db2.gz KRZXWHGHVLEGFV-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM CN(Cc1cccc(C#N)c1)c1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC000821613375 607496542 /nfs/dbraw/zinc/49/65/42/607496542.db2.gz KRZXWHGHVLEGFV-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000833073392 601319050 /nfs/dbraw/zinc/31/90/50/601319050.db2.gz AURZWZLLRQDTHQ-LJQANCHMSA-N -1 3 354.381 3.366 20 30 FGEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1S[C@H]1CCc2c1cccc2Cl ZINC000826383778 607710417 /nfs/dbraw/zinc/71/04/17/607710417.db2.gz PRVAKLGIRUPBQN-ZDUSSCGKSA-N -1 3 369.841 3.149 20 30 FGEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1S[C@H]1CCc2c1cccc2Cl ZINC000826383778 607710419 /nfs/dbraw/zinc/71/04/19/607710419.db2.gz PRVAKLGIRUPBQN-ZDUSSCGKSA-N -1 3 369.841 3.149 20 30 FGEDHM N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(-c4nnn[n-]4)[nH]3)c2)cc1 ZINC000826386103 607725904 /nfs/dbraw/zinc/72/59/04/607725904.db2.gz PANYBADEBNQJOJ-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#Cc1ccc(Oc2cccc(NC(=O)c3ccc(-c4nn[n-]n4)[nH]3)c2)cc1 ZINC000826386103 607725906 /nfs/dbraw/zinc/72/59/06/607725906.db2.gz PANYBADEBNQJOJ-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM CC[C@H](C#N)Oc1cc(CNCc2ccc(C(=O)[O-])cc2)ccc1OC ZINC000833636278 605095518 /nfs/dbraw/zinc/09/55/18/605095518.db2.gz NEXAYOPWFZZSLI-QGZVFWFLSA-N -1 3 354.406 3.364 20 30 FGEDHM N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000822801351 606255674 /nfs/dbraw/zinc/25/56/74/606255674.db2.gz HGTJGHKMBNRFFU-QGZVFWFLSA-N -1 3 369.388 3.103 20 30 FGEDHM N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000822801351 606255675 /nfs/dbraw/zinc/25/56/75/606255675.db2.gz HGTJGHKMBNRFFU-QGZVFWFLSA-N -1 3 369.388 3.103 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000819743670 606673909 /nfs/dbraw/zinc/67/39/09/606673909.db2.gz NOBXBPSWNYAUQI-WOJBJXKFSA-N -1 3 373.460 3.260 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@H]1Cc1ccccc1 ZINC000819743670 606673910 /nfs/dbraw/zinc/67/39/10/606673910.db2.gz NOBXBPSWNYAUQI-WOJBJXKFSA-N -1 3 373.460 3.260 20 30 FGEDHM N#Cc1ccc(OCCNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cc1 ZINC000822833591 606939238 /nfs/dbraw/zinc/93/92/38/606939238.db2.gz SHSSJIWHYQHVLF-UHFFFAOYSA-N -1 3 374.326 3.248 20 30 FGEDHM N#Cc1ccc(OCCNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cc1 ZINC000822833591 606939240 /nfs/dbraw/zinc/93/92/40/606939240.db2.gz SHSSJIWHYQHVLF-UHFFFAOYSA-N -1 3 374.326 3.248 20 30 FGEDHM C=CCC(CC=C)C(=O)N1CCC(Oc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000819733831 606947525 /nfs/dbraw/zinc/94/75/25/606947525.db2.gz BVKWZDQLPILBCR-UHFFFAOYSA-N -1 3 367.453 3.005 20 30 FGEDHM COc1ccc(C=CC(=O)c2cc3c(s2)CCC3)cc1-c1nnn[n-]1 ZINC000821786528 606977076 /nfs/dbraw/zinc/97/70/76/606977076.db2.gz FIIWVGQUPIEKLH-ALCCZGGFSA-N -1 3 352.419 3.322 20 30 FGEDHM COc1ccc(C=CC(=O)c2cc3c(s2)CCC3)cc1-c1nn[n-]n1 ZINC000821786528 606977078 /nfs/dbraw/zinc/97/70/78/606977078.db2.gz FIIWVGQUPIEKLH-ALCCZGGFSA-N -1 3 352.419 3.322 20 30 FGEDHM Cc1ccc2ccccc2c1CSc1nc(N)c(-c2nnn[n-]2)cc1C#N ZINC000822279925 606980826 /nfs/dbraw/zinc/98/08/26/606980826.db2.gz GBAOBXZFSQXCCK-UHFFFAOYSA-N -1 3 373.445 3.470 20 30 FGEDHM Cc1ccc2ccccc2c1CSc1nc(N)c(-c2nn[n-]n2)cc1C#N ZINC000822279925 606980827 /nfs/dbraw/zinc/98/08/27/606980827.db2.gz GBAOBXZFSQXCCK-UHFFFAOYSA-N -1 3 373.445 3.470 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(CCC)CC1 ZINC000819743724 607145031 /nfs/dbraw/zinc/14/50/31/607145031.db2.gz PCRRSXSUEJDRGM-UHFFFAOYSA-N -1 3 354.458 3.145 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(CCC)CC1 ZINC000819743724 607145032 /nfs/dbraw/zinc/14/50/32/607145032.db2.gz PCRRSXSUEJDRGM-UHFFFAOYSA-N -1 3 354.458 3.145 20 30 FGEDHM CCSc1ccc(CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000825674331 607785495 /nfs/dbraw/zinc/78/54/95/607785495.db2.gz JANVHBQNZHKLQN-UHFFFAOYSA-N -1 3 364.434 3.032 20 30 FGEDHM CCSc1ccc(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000825674331 607785496 /nfs/dbraw/zinc/78/54/96/607785496.db2.gz JANVHBQNZHKLQN-UHFFFAOYSA-N -1 3 364.434 3.032 20 30 FGEDHM O=C1c2ccc(Br)cc2OC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826477120 607885754 /nfs/dbraw/zinc/88/57/54/607885754.db2.gz WEHUKPCTVSSWBV-VGOFMYFVSA-N -1 3 369.178 3.245 20 30 FGEDHM O=C1c2ccc(Br)cc2OC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826477120 607885755 /nfs/dbraw/zinc/88/57/55/607885755.db2.gz WEHUKPCTVSSWBV-VGOFMYFVSA-N -1 3 369.178 3.245 20 30 FGEDHM C#CC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1ccccc1 ZINC000823838636 607961106 /nfs/dbraw/zinc/96/11/06/607961106.db2.gz SGCLWARPCXZUKU-OAHLLOKOSA-N -1 3 366.812 3.406 20 30 FGEDHM C#CC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1ccccc1 ZINC000823838636 607961107 /nfs/dbraw/zinc/96/11/07/607961107.db2.gz SGCLWARPCXZUKU-OAHLLOKOSA-N -1 3 366.812 3.406 20 30 FGEDHM C=C[C@H](CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000823882868 607995116 /nfs/dbraw/zinc/99/51/16/607995116.db2.gz FCNLXJLGIKPMRL-OAHLLOKOSA-N -1 3 359.433 3.332 20 30 FGEDHM C=C[C@H](CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000823882868 607995117 /nfs/dbraw/zinc/99/51/17/607995117.db2.gz FCNLXJLGIKPMRL-OAHLLOKOSA-N -1 3 359.433 3.332 20 30 FGEDHM N#CCc1ccc(C(=O)Nc2sc3c(c2-c2nnn[n-]2)CCCC3)cc1 ZINC000826382784 608000384 /nfs/dbraw/zinc/00/03/84/608000384.db2.gz UWLYSLHTWXMTKR-UHFFFAOYSA-N -1 3 364.434 3.125 20 30 FGEDHM N#CCc1ccc(C(=O)Nc2sc3c(c2-c2nn[n-]n2)CCCC3)cc1 ZINC000826382784 608000385 /nfs/dbraw/zinc/00/03/85/608000385.db2.gz UWLYSLHTWXMTKR-UHFFFAOYSA-N -1 3 364.434 3.125 20 30 FGEDHM C=C[C@H](CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000823883545 608003648 /nfs/dbraw/zinc/00/36/48/608003648.db2.gz SZKGCRFVTZIOJE-CYBMUJFWSA-N -1 3 351.385 3.329 20 30 FGEDHM C=C[C@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823883545 608003649 /nfs/dbraw/zinc/00/36/49/608003649.db2.gz SZKGCRFVTZIOJE-CYBMUJFWSA-N -1 3 351.385 3.329 20 30 FGEDHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000823943935 608004561 /nfs/dbraw/zinc/00/45/61/608004561.db2.gz VKSNGHBMHHTCLT-DHZHZOJOSA-N -1 3 364.796 3.434 20 30 FGEDHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000823943935 608004562 /nfs/dbraw/zinc/00/45/62/608004562.db2.gz VKSNGHBMHHTCLT-DHZHZOJOSA-N -1 3 364.796 3.434 20 30 FGEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cc1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000823958761 608053686 /nfs/dbraw/zinc/05/36/86/608053686.db2.gz VFUMUTPBDHJGMC-GFCCVEGCSA-N -1 3 365.397 3.442 20 30 FGEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cc1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000823958761 608053687 /nfs/dbraw/zinc/05/36/87/608053687.db2.gz VFUMUTPBDHJGMC-GFCCVEGCSA-N -1 3 365.397 3.442 20 30 FGEDHM CC(=NNC(=S)Nc1ccc(C)cc1C)c1ccc(-c2nnn[n-]2)s1 ZINC000823953592 608091575 /nfs/dbraw/zinc/09/15/75/608091575.db2.gz IKQDHNOZLYVHGQ-UHFFFAOYSA-N -1 3 371.495 3.256 20 30 FGEDHM CC(=NNc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823958673 608094787 /nfs/dbraw/zinc/09/47/87/608094787.db2.gz UXNRTYWEBQAKCD-UHFFFAOYSA-N -1 3 350.354 3.366 20 30 FGEDHM COc1nc2ccccc2cc1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826221809 608121481 /nfs/dbraw/zinc/12/14/81/608121481.db2.gz WDFDHWHWBCYESA-KTKRTIGZSA-N -1 3 357.373 3.320 20 30 FGEDHM COc1nc2ccccc2cc1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826221809 608121482 /nfs/dbraw/zinc/12/14/82/608121482.db2.gz WDFDHWHWBCYESA-KTKRTIGZSA-N -1 3 357.373 3.320 20 30 FGEDHM COc1cc(-c2nnn[n-]2)ccc1CSc1nc(C)cc(C)c1C#N ZINC000826173491 608261013 /nfs/dbraw/zinc/26/10/13/608261013.db2.gz GPRVIUMAIZVCTB-UHFFFAOYSA-N -1 3 352.423 3.051 20 30 FGEDHM COc1cc(-c2nn[n-]n2)ccc1CSc1nc(C)cc(C)c1C#N ZINC000826173491 608261015 /nfs/dbraw/zinc/26/10/15/608261015.db2.gz GPRVIUMAIZVCTB-UHFFFAOYSA-N -1 3 352.423 3.051 20 30 FGEDHM O=C1c2cccc(Br)c2CC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826475708 608288421 /nfs/dbraw/zinc/28/84/21/608288421.db2.gz ODWPYYBMJKMQSV-XYOKQWHBSA-N -1 3 367.206 3.452 20 30 FGEDHM O=C1c2cccc(Br)c2CC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475708 608288422 /nfs/dbraw/zinc/28/84/22/608288422.db2.gz ODWPYYBMJKMQSV-XYOKQWHBSA-N -1 3 367.206 3.452 20 30 FGEDHM O=C1c2cccc(Br)c2CC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826475707 608288495 /nfs/dbraw/zinc/28/84/95/608288495.db2.gz ODWPYYBMJKMQSV-WQLSENKSSA-N -1 3 367.206 3.452 20 30 FGEDHM O=C1c2cccc(Br)c2CC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475707 608288497 /nfs/dbraw/zinc/28/84/97/608288497.db2.gz ODWPYYBMJKMQSV-WQLSENKSSA-N -1 3 367.206 3.452 20 30 FGEDHM C=C(CC)COC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000823878084 608318122 /nfs/dbraw/zinc/31/81/22/608318122.db2.gz OCIAPUZJUGGBOE-UHFFFAOYSA-N -1 3 354.366 3.162 20 30 FGEDHM C#C[C@@H](OC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1)C1CC1 ZINC000823838338 608454652 /nfs/dbraw/zinc/45/46/52/608454652.db2.gz OHVSAAGJCCOZRE-LJQANCHMSA-N -1 3 374.400 3.014 20 30 FGEDHM C#C[C@@H](OC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1)C1CC1 ZINC000823838338 608454653 /nfs/dbraw/zinc/45/46/53/608454653.db2.gz OHVSAAGJCCOZRE-LJQANCHMSA-N -1 3 374.400 3.014 20 30 FGEDHM O=C(C=Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400073 609270485 /nfs/dbraw/zinc/27/04/85/609270485.db2.gz OEEXWTAMVSTPSE-KXFIGUGUSA-N -1 3 373.731 3.464 20 30 FGEDHM O=C(C=Cc1cc([N+](=O)[O-])ccc1Cl)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400073 609270486 /nfs/dbraw/zinc/27/04/86/609270486.db2.gz OEEXWTAMVSTPSE-KXFIGUGUSA-N -1 3 373.731 3.464 20 30 FGEDHM O=C(C=Cc1cc2c(c(Cl)c1)OCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399688 609272528 /nfs/dbraw/zinc/27/25/28/609272528.db2.gz CJOBDLOTOVUHRR-RJRFIUFISA-N -1 3 372.743 3.284 20 30 FGEDHM O=C(C=Cc1cc2c(c(Cl)c1)OCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399688 609272529 /nfs/dbraw/zinc/27/25/29/609272529.db2.gz CJOBDLOTOVUHRR-RJRFIUFISA-N -1 3 372.743 3.284 20 30 FGEDHM O=C(C=Cc1cnn(Cc2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403455 609274812 /nfs/dbraw/zinc/27/48/12/609274812.db2.gz SNBLVJJBKZNPRT-RMKNXTFCSA-N -1 3 374.379 3.147 20 30 FGEDHM O=C(C=Cc1cnn(Cc2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403455 609274813 /nfs/dbraw/zinc/27/48/13/609274813.db2.gz SNBLVJJBKZNPRT-RMKNXTFCSA-N -1 3 374.379 3.147 20 30 FGEDHM O=C(C=Cc1cnc2ccc(Cl)cn12)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403397 609274938 /nfs/dbraw/zinc/27/49/38/609274938.db2.gz QXRYONTYIDSMEL-HWKANZROSA-N -1 3 368.759 3.203 20 30 FGEDHM O=C(C=Cc1cnc2ccc(Cl)cn12)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403397 609274939 /nfs/dbraw/zinc/27/49/39/609274939.db2.gz QXRYONTYIDSMEL-HWKANZROSA-N -1 3 368.759 3.203 20 30 FGEDHM N#Cc1ccc(COc2ccccc2-c2nnn[n-]2)c(Br)c1 ZINC000826385005 609306413 /nfs/dbraw/zinc/30/64/13/609306413.db2.gz SXFMELNVJXFGOA-UHFFFAOYSA-N -1 3 356.183 3.080 20 30 FGEDHM N#Cc1ccc(COc2ccccc2-c2nn[n-]n2)c(Br)c1 ZINC000826385005 609306414 /nfs/dbraw/zinc/30/64/14/609306414.db2.gz SXFMELNVJXFGOA-UHFFFAOYSA-N -1 3 356.183 3.080 20 30 FGEDHM Cc1ccoc1C(=O)C=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826315179 609309911 /nfs/dbraw/zinc/30/99/11/609309911.db2.gz APQLNYPJLPZYPQ-BQYQJAHWSA-N -1 3 360.377 3.065 20 30 FGEDHM Cc1ccoc1C(=O)C=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826315179 609309913 /nfs/dbraw/zinc/30/99/13/609309913.db2.gz APQLNYPJLPZYPQ-BQYQJAHWSA-N -1 3 360.377 3.065 20 30 FGEDHM COc1cc(C)c(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(C)n1 ZINC000826178202 609368264 /nfs/dbraw/zinc/36/82/64/609368264.db2.gz NSYLYEDGEXRRMX-UVTDQMKNSA-N -1 3 361.405 3.100 20 30 FGEDHM COc1cc(C)c(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(C)n1 ZINC000826178202 609368266 /nfs/dbraw/zinc/36/82/66/609368266.db2.gz NSYLYEDGEXRRMX-UVTDQMKNSA-N -1 3 361.405 3.100 20 30 FGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826400257 609442765 /nfs/dbraw/zinc/44/27/65/609442765.db2.gz UCTSKUUEAMMLET-FPYGCLRLSA-N -1 3 355.741 3.324 20 30 FGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826400257 609442768 /nfs/dbraw/zinc/44/27/68/609442768.db2.gz UCTSKUUEAMMLET-FPYGCLRLSA-N -1 3 355.741 3.324 20 30 FGEDHM COc1ccc(C(C)=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1OC ZINC000826188061 609471680 /nfs/dbraw/zinc/47/16/80/609471680.db2.gz MNXDNUILVZWWGO-UHFFFAOYSA-N -1 3 372.816 3.373 20 30 FGEDHM COc1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1OC ZINC000826188061 609471682 /nfs/dbraw/zinc/47/16/82/609471682.db2.gz MNXDNUILVZWWGO-UHFFFAOYSA-N -1 3 372.816 3.373 20 30 FGEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000823958615 609473015 /nfs/dbraw/zinc/47/30/15/609473015.db2.gz SQXFRRZVYAUYEB-UHFFFAOYSA-N -1 3 357.761 3.264 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000823958615 609473017 /nfs/dbraw/zinc/47/30/17/609473017.db2.gz SQXFRRZVYAUYEB-UHFFFAOYSA-N -1 3 357.761 3.264 20 30 FGEDHM CC[C@@H]1C[C@@H](CN=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000825184550 609517292 /nfs/dbraw/zinc/51/72/92/609517292.db2.gz VZCCLVPWZGDMLP-CMPLNLGQSA-N -1 3 368.363 3.488 20 30 FGEDHM CC[C@@H]1C[C@@H](CN=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000825184550 609517295 /nfs/dbraw/zinc/51/72/95/609517295.db2.gz VZCCLVPWZGDMLP-CMPLNLGQSA-N -1 3 368.363 3.488 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC000823909363 609540027 /nfs/dbraw/zinc/54/00/27/609540027.db2.gz AIUCYXPJCVVFSK-GJZGRUSLSA-N -1 3 353.470 3.454 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC000823909363 609540028 /nfs/dbraw/zinc/54/00/28/609540028.db2.gz AIUCYXPJCVVFSK-GJZGRUSLSA-N -1 3 353.470 3.454 20 30 FGEDHM N#CCCN(C(=O)COC(=O)c1cc2ccsc2[n-]1)c1ccccc1 ZINC000023345597 695660897 /nfs/dbraw/zinc/66/08/97/695660897.db2.gz NXUAROILIUKTHF-UHFFFAOYSA-N -1 3 353.403 3.333 20 30 FGEDHM C=CCOC(=O)c1sc2[n-]c(-c3ccc(Cl)cn3)nc(=O)c2c1C ZINC000086963672 700372159 /nfs/dbraw/zinc/37/21/59/700372159.db2.gz HPUAUIUODRWASQ-UHFFFAOYSA-N -1 3 361.810 3.351 20 30 FGEDHM N#CC(C(=O)Nc1ccccn1)=C([O-])c1cc(F)cc(C(F)(F)F)c1 ZINC000120389617 700653766 /nfs/dbraw/zinc/65/37/66/700653766.db2.gz HNCIWZKVKVTMAX-LBPRGKRZSA-N -1 3 351.259 3.201 20 30 FGEDHM C#CCCCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000170714179 705357703 /nfs/dbraw/zinc/35/77/03/705357703.db2.gz ZKIPFMSAUDPMBM-UHFFFAOYSA-N -1 3 361.394 3.197 20 30 FGEDHM C#C[C@@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(C)C ZINC000790333121 723127877 /nfs/dbraw/zinc/12/78/77/723127877.db2.gz RLBNWSXCFCJPIH-SNVBAGLBSA-N -1 3 350.665 3.039 20 30 FGEDHM C[C@@H](NCc1ccc(C#N)cn1)c1cc(Br)cc(F)c1[O-] ZINC000783300405 724745727 /nfs/dbraw/zinc/74/57/27/724745727.db2.gz LUPCTHXNXMAELM-SECBINFHSA-N -1 3 350.191 3.411 20 30 FGEDHM Cc1cc(Cl)cc2c1OCCC2=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000750936458 722786905 /nfs/dbraw/zinc/78/69/05/722786905.db2.gz SMRBTSGLTLRXSZ-UHFFFAOYSA-N -1 3 364.854 3.255 20 30 FGEDHM C[C@H]1CC(=Nn2c(=S)[n-]nc2SCc2ccccc2)CN1C1CC1 ZINC000753954536 722920137 /nfs/dbraw/zinc/92/01/37/722920137.db2.gz DYFMHFJYBNDNCS-LBPRGKRZSA-N -1 3 359.524 3.320 20 30 FGEDHM COc1ccc(C=NN2Cc3ccccc3C2=O)c(Br)c1[O-] ZINC000761011046 723112526 /nfs/dbraw/zinc/11/25/26/723112526.db2.gz HFDHBICYDOGXAN-UHFFFAOYSA-N -1 3 361.195 3.153 20 30 FGEDHM COc1cc(C(=O)/C=C/c2c(Br)c(C)nn2C)ccc1[O-] ZINC000790602158 723157107 /nfs/dbraw/zinc/15/71/07/723157107.db2.gz SZDDTZONFGCDKG-FNORWQNLSA-N -1 3 351.200 3.101 20 30 FGEDHM CC(C)(C)OC(=O)N1CC(C/N=C/c2cc(Br)ccc2[O-])C1 ZINC000762436005 723242871 /nfs/dbraw/zinc/24/28/71/723242871.db2.gz JALUBCQAWCZDNZ-QGMBQPNBSA-N -1 3 369.259 3.441 20 30 FGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2sc3nccn3c2C)cc1 ZINC000769246924 723680681 /nfs/dbraw/zinc/68/06/81/723680681.db2.gz STDXSGVJVCPGCI-AWEZNQCLSA-N -1 3 352.419 3.228 20 30 FGEDHM O=C1Nc2cc([O-])ccc2C1=NNc1ccc(Br)c(F)c1 ZINC000769830426 723697271 /nfs/dbraw/zinc/69/72/71/723697271.db2.gz ZDOSGNHZOWSFPF-UHFFFAOYSA-N -1 3 350.147 3.062 20 30 FGEDHM C=C[C@H](OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1)C(C)(C)C ZINC000798902666 723973664 /nfs/dbraw/zinc/97/36/64/723973664.db2.gz HBTXKXYRWYNWFM-INIZCTEOSA-N -1 3 369.483 3.359 20 30 FGEDHM CCOc1cc(C=NNc2cccc(S(C)(=O)=O)c2)cc(Cl)c1[O-] ZINC000776260502 724124891 /nfs/dbraw/zinc/12/48/91/724124891.db2.gz HPHLPXTYNWECTM-UHFFFAOYSA-N -1 3 368.842 3.294 20 30 FGEDHM C=CCCN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1c1ccccc1OC ZINC000805830115 725099278 /nfs/dbraw/zinc/09/92/78/725099278.db2.gz XSWWTBSOHIPYMB-HOCLYGCPSA-N -1 3 356.388 3.455 20 30 FGEDHM CCS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2scc(C)c2C#N)c1 ZINC000809003272 725223009 /nfs/dbraw/zinc/22/30/09/725223009.db2.gz OUXCEPUEJLLARJ-UHFFFAOYSA-N -1 3 352.412 3.113 20 30 FGEDHM CC(=O)[C@H](Cc1cccc(Cl)c1F)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811184428 725349348 /nfs/dbraw/zinc/34/93/48/725349348.db2.gz ODCKGZNNNWMKER-INIZCTEOSA-N -1 3 361.756 3.413 20 30 FGEDHM O=C(N[C@@H]1CCN([O-])C1=O)c1cc(Cl)ccc1SC1CCCC1 ZINC000820149148 728970204 /nfs/dbraw/zinc/97/02/04/728970204.db2.gz MAXURAUFKWJVTF-CYBMUJFWSA-N -1 3 354.859 3.095 20 30 FGEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000820476664 728997854 /nfs/dbraw/zinc/99/78/54/728997854.db2.gz OOZQNFJVTCASGK-INIZCTEOSA-N -1 3 360.797 3.242 20 30 FGEDHM CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(C#N)c(Cl)c1 ZINC000825380554 729381061 /nfs/dbraw/zinc/38/10/61/729381061.db2.gz QQGVABGAISEFQM-UHFFFAOYSA-N -1 3 358.814 3.120 20 30 FGEDHM CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(C#N)c(Cl)c1 ZINC000825380554 729381062 /nfs/dbraw/zinc/38/10/62/729381062.db2.gz QQGVABGAISEFQM-UHFFFAOYSA-N -1 3 358.814 3.120 20 30 FGEDHM N#Cc1c(Cl)cccc1SCC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826383222 729407764 /nfs/dbraw/zinc/40/77/64/729407764.db2.gz PXSOYVDAXUFXJK-UHFFFAOYSA-N -1 3 355.810 3.367 20 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COC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000192930371 497249628 /nfs/dbraw/zinc/24/96/28/497249628.db2.gz HQVAIDRFRUIPLW-MRXNPFEDSA-N -1 3 368.817 3.017 20 30 FGEDHM CCC1(CC)[C@H](NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)[C@H](C)[C@H]1OC ZINC000253556853 497340860 /nfs/dbraw/zinc/34/08/60/497340860.db2.gz IVMXMGVDZIZCNZ-MJXNMMHHSA-N -1 3 373.497 3.164 20 30 FGEDHM N#Cc1cccnc1-n1cc(NC(=O)c2cc([O-])ccc2C(F)(F)F)cn1 ZINC000193822022 497492745 /nfs/dbraw/zinc/49/27/45/497492745.db2.gz CBZCUMDHDWMOKU-UHFFFAOYSA-N -1 3 373.294 3.116 20 30 FGEDHM C=CCNC(=O)c1cccc(-c2noc(-c3n[n-]nc3-c3ccccc3)n2)c1 ZINC000572203463 505913420 /nfs/dbraw/zinc/91/34/20/505913420.db2.gz ALINOHKICZFXKX-UHFFFAOYSA-N -1 3 372.388 3.105 20 30 FGEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2n[n-]nc2-c2ccccc2)cc1 ZINC000194162312 497590565 /nfs/dbraw/zinc/59/05/65/497590565.db2.gz JONFGEAOIMZQAS-UHFFFAOYSA-N -1 3 362.393 3.032 20 30 FGEDHM CC(C)NC(=O)c1ccc(C([O-])=C(C#N)c2cnc3ccccc3n2)cc1 ZINC000190885970 497633880 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FGEDHM Cc1ccc([O-])c(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000286696527 498480016 /nfs/dbraw/zinc/48/00/16/498480016.db2.gz ODUZKNUGEJYHHZ-UHFFFAOYSA-N -1 3 354.381 3.395 20 30 FGEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000332038106 498540534 /nfs/dbraw/zinc/54/05/34/498540534.db2.gz YXZZRLABKYJXGC-LBPRGKRZSA-N -1 3 363.664 3.073 20 30 FGEDHM COc1ccc([C@H](C)N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000298186232 498688454 /nfs/dbraw/zinc/68/84/54/498688454.db2.gz JZTVPCGJSNHOFW-HNNXBMFYSA-N -1 3 367.449 3.437 20 30 FGEDHM N#Cc1ccc(Cc2cnc([N-]C(=O)c3nnc4ccccc4n3)s2)cc1 ZINC000572890407 506076164 /nfs/dbraw/zinc/07/61/64/506076164.db2.gz BNIKJNZWKNTPEL-UHFFFAOYSA-N -1 3 372.413 3.196 20 30 FGEDHM Cc1[nH]nc([N-]C(=O)c2cc3sc(N4CCCC4)nc3s2)c1C#N ZINC000288156659 498956778 /nfs/dbraw/zinc/95/67/78/498956778.db2.gz OGOSCUJGARUOTF-UHFFFAOYSA-N -1 3 358.452 3.114 20 30 FGEDHM CC[C@](C)(C#N)C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000367532652 499209942 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FGEDHM C=C[C@](C)(CC)C(=O)N=c1[n-]n(CC(F)(F)F)cc1Br ZINC000421681116 500115106 /nfs/dbraw/zinc/11/51/06/500115106.db2.gz WAPNGWXIYJLTAF-LLVKDONJSA-N -1 3 354.170 3.171 20 30 FGEDHM COc1cccc(CSC[C@H](NCc2ccc(C#N)c(F)c2)C(=O)[O-])c1 ZINC000421816478 500157607 /nfs/dbraw/zinc/15/76/07/500157607.db2.gz PSYYWNOIRWVYOU-SFHVURJKSA-N -1 3 374.437 3.182 20 30 FGEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H](Cc1ccccc1)c1cccs1 ZINC000428247904 500486321 /nfs/dbraw/zinc/48/63/21/500486321.db2.gz POBBIJMFIMKRKO-OAHLLOKOSA-N -1 3 369.471 3.277 20 30 FGEDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C#N)c1cc(Cl)ccc1Cl ZINC000428267710 500489561 /nfs/dbraw/zinc/48/95/61/500489561.db2.gz XMBSUOVERPCAGS-SECBINFHSA-N -1 3 356.234 3.300 20 30 FGEDHM COc1cc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)ccc1[O-] ZINC000442963570 500653922 /nfs/dbraw/zinc/65/39/22/500653922.db2.gz FGEKYYPTLMEPLQ-ZDUSSCGKSA-N -1 3 350.296 3.414 20 30 FGEDHM CC(C)c1ccc(C[N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)cc1 ZINC000443007745 500662428 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CO[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)c1ccc(Cl)cc1 ZINC000443248402 500701431 /nfs/dbraw/zinc/70/14/31/500701431.db2.gz MTNJPKWBHYCHLQ-HNNXBMFYSA-N -1 3 368.817 3.017 20 30 FGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000443351428 500714393 /nfs/dbraw/zinc/71/43/93/500714393.db2.gz NAEQDUJZZLZLCT-ZYHUDNBSSA-N -1 3 364.364 3.344 20 30 FGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000443498517 500730672 /nfs/dbraw/zinc/73/06/72/500730672.db2.gz MAZKHZYMCNZUPQ-JEBQAFNWSA-N -1 3 358.850 3.218 20 30 FGEDHM CC(C)C(=O)c1cnccc1[N-]C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000448395666 500757542 /nfs/dbraw/zinc/75/75/42/500757542.db2.gz FJHJYFITBKZSQJ-UHFFFAOYSA-N -1 3 360.373 3.121 20 30 FGEDHM N#CC(=C([O-])c1cnnn1-c1cccc(F)c1)c1nccc2ccccc21 ZINC000434645985 500872401 /nfs/dbraw/zinc/87/24/01/500872401.db2.gz OBVTZFVRFSZRJC-KRWDZBQOSA-N -1 3 357.348 3.445 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2c(F)cccc2F)c(Cl)c1 ZINC000435425414 500972590 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FGEDHM Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)c([O-])c1 ZINC000436554604 501155798 /nfs/dbraw/zinc/15/57/98/501155798.db2.gz GHIRRHKTBILMMQ-HNNXBMFYSA-N -1 3 353.397 3.110 20 30 FGEDHM Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2N2CCCC2)ccc1C#N ZINC000446815346 501167302 /nfs/dbraw/zinc/16/73/02/501167302.db2.gz STTAOFRMKBJEMR-UHFFFAOYSA-N -1 3 359.426 3.407 20 30 FGEDHM C=CCN1CCC([N-]S(=O)(=O)c2sc3ccccc3c2Cl)CC1 ZINC000451170978 501249863 /nfs/dbraw/zinc/24/98/63/501249863.db2.gz MJHYANYSBBVPFV-UHFFFAOYSA-N -1 3 370.927 3.483 20 30 FGEDHM COCCN(CC#N)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000459532061 501670979 /nfs/dbraw/zinc/67/09/79/501670979.db2.gz HWAMWBKGVADEET-UHFFFAOYSA-N -1 3 354.435 3.036 20 30 FGEDHM C=CCn1c(=O)[n-]nc1S[C@@H](C)C(=O)N[C@@H](CCC)c1ccccc1 ZINC000470824522 501818130 /nfs/dbraw/zinc/81/81/30/501818130.db2.gz ZLMZNLAHEIPUMG-ZFWWWQNUSA-N -1 3 360.483 3.308 20 30 FGEDHM N#Cc1[n-]c(=NCCC2CCN(CC(F)(F)F)CC2)sc1Cl ZINC000596150313 506281946 /nfs/dbraw/zinc/28/19/46/506281946.db2.gz 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3.118 20 30 FGEDHM CC(C)Cc1ccc(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000735851117 598919765 /nfs/dbraw/zinc/91/97/65/598919765.db2.gz XRJZJHOERRAMLJ-UHFFFAOYSA-N -1 3 360.421 3.118 20 30 FGEDHM C#CCCCOC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735376132 598967552 /nfs/dbraw/zinc/96/75/52/598967552.db2.gz YXRANBDJKGFBNO-UHFFFAOYSA-N -1 3 362.389 3.016 20 30 FGEDHM C#CCCCOC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735376132 598967555 /nfs/dbraw/zinc/96/75/55/598967555.db2.gz YXRANBDJKGFBNO-UHFFFAOYSA-N -1 3 362.389 3.016 20 30 FGEDHM CCCCCCCCOCC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000736448595 599072852 /nfs/dbraw/zinc/07/28/52/599072852.db2.gz NOVJXBJNDTYSPY-UHFFFAOYSA-N -1 3 363.437 3.346 20 30 FGEDHM CCCCCCCCOCC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000736448595 599072855 /nfs/dbraw/zinc/07/28/55/599072855.db2.gz NOVJXBJNDTYSPY-UHFFFAOYSA-N -1 3 363.437 3.346 20 30 FGEDHM COc1ccc(C=C2C(=O)c3c(c(F)ccc3O)[C@@H]2C)cc1-c1nnn[n-]1 ZINC000737082652 599153554 /nfs/dbraw/zinc/15/35/54/599153554.db2.gz KMUZKUKHYXJJTQ-MXFUOJGSSA-N -1 3 366.352 3.103 20 30 FGEDHM COc1ccc(C=C2CSc3ccc(F)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737085130 599154586 /nfs/dbraw/zinc/15/45/86/599154586.db2.gz YRANNCBYBHFSDU-IZZDOVSWSA-N -1 3 368.393 3.386 20 30 FGEDHM COc1ccc(C=C2CSc3ccc(F)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737085130 599154587 /nfs/dbraw/zinc/15/45/87/599154587.db2.gz YRANNCBYBHFSDU-IZZDOVSWSA-N -1 3 368.393 3.386 20 30 FGEDHM COc1ccc(C=CC(=O)c2cn(C)c3ccccc23)cc1-c1nnn[n-]1 ZINC000737081915 599156019 /nfs/dbraw/zinc/15/60/19/599156019.db2.gz RSXNGSRQQKLYAM-VQHVLOKHSA-N -1 3 359.389 3.263 20 30 FGEDHM COc1ccc(C=CC(=O)c2cn(C)c3ccccc23)cc1-c1nn[n-]n1 ZINC000737081915 599156022 /nfs/dbraw/zinc/15/60/22/599156022.db2.gz RSXNGSRQQKLYAM-VQHVLOKHSA-N -1 3 359.389 3.263 20 30 FGEDHM C=CCNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735432235 599196247 /nfs/dbraw/zinc/19/62/47/599196247.db2.gz OLJQYQGNBDNRBZ-UHFFFAOYSA-N -1 3 355.785 3.228 20 30 FGEDHM N#CCOc1ccc(Cl)cc1COc1ccc(-c2nnn[n-]2)c(F)c1 ZINC000737697489 599222701 /nfs/dbraw/zinc/22/27/01/599222701.db2.gz HZTTWIQLPJOWLY-UHFFFAOYSA-N -1 3 359.748 3.141 20 30 FGEDHM N#CCOc1ccc(Cl)cc1COc1ccc(-c2nn[n-]n2)c(F)c1 ZINC000737697489 599222703 /nfs/dbraw/zinc/22/27/03/599222703.db2.gz HZTTWIQLPJOWLY-UHFFFAOYSA-N -1 3 359.748 3.141 20 30 FGEDHM C#CCCCNC(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819692692 599266359 /nfs/dbraw/zinc/26/63/59/599266359.db2.gz GXGHSWSVCISDJR-UHFFFAOYSA-N -1 3 362.393 3.194 20 30 FGEDHM C#CCCCNC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819692692 599266361 /nfs/dbraw/zinc/26/63/61/599266361.db2.gz GXGHSWSVCISDJR-UHFFFAOYSA-N -1 3 362.393 3.194 20 30 FGEDHM CN(Cc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736816460 598276834 /nfs/dbraw/zinc/27/68/34/598276834.db2.gz HZFDJZZFVBQJHD-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM CN(Cc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736816460 598276835 /nfs/dbraw/zinc/27/68/35/598276835.db2.gz HZFDJZZFVBQJHD-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM N#Cc1ccc(NN=Cc2ccc(-c3nnn[n-]3)cc2)cc1C(F)(F)F ZINC000737719740 598314987 /nfs/dbraw/zinc/31/49/87/598314987.db2.gz VJGOEXDICFDZII-UHFFFAOYSA-N -1 3 357.299 3.203 20 30 FGEDHM N#Cc1ccc(NN=Cc2ccc(-c3nn[n-]n3)cc2)cc1C(F)(F)F ZINC000737719740 598314989 /nfs/dbraw/zinc/31/49/89/598314989.db2.gz VJGOEXDICFDZII-UHFFFAOYSA-N -1 3 357.299 3.203 20 30 FGEDHM Cc1c(C(=O)C=Cc2cccc(Cl)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202504 598377078 /nfs/dbraw/zinc/37/70/78/598377078.db2.gz MYSBRMPKGUZMBN-BQYQJAHWSA-N -1 3 353.813 3.472 20 30 FGEDHM Cc1c(C(=O)C=Cc2cccc(Cl)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202504 598377079 /nfs/dbraw/zinc/37/70/79/598377079.db2.gz MYSBRMPKGUZMBN-BQYQJAHWSA-N -1 3 353.813 3.472 20 30 FGEDHM N#CCCSc1ccccc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737693062 598494870 /nfs/dbraw/zinc/49/48/70/598494870.db2.gz CCMXIWWFAYYCQQ-UHFFFAOYSA-N -1 3 350.407 3.125 20 30 FGEDHM N#CCCSc1ccccc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737693062 598494872 /nfs/dbraw/zinc/49/48/72/598494872.db2.gz CCMXIWWFAYYCQQ-UHFFFAOYSA-N -1 3 350.407 3.125 20 30 FGEDHM C=CCCOCC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735416941 598552543 /nfs/dbraw/zinc/55/25/43/598552543.db2.gz UVEVQZNTRLCNPF-UHFFFAOYSA-N -1 3 365.393 3.190 20 30 FGEDHM C=CCCOCC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735416941 598552546 /nfs/dbraw/zinc/55/25/46/598552546.db2.gz UVEVQZNTRLCNPF-UHFFFAOYSA-N -1 3 365.393 3.190 20 30 FGEDHM N#Cc1cc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)ccc1Cl ZINC000737708437 598651099 /nfs/dbraw/zinc/65/10/99/598651099.db2.gz FYDIXPZZSLBWEH-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1cc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)ccc1Cl ZINC000737708437 598651101 /nfs/dbraw/zinc/65/11/01/598651101.db2.gz FYDIXPZZSLBWEH-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)CSc2ccc(C#N)cc2)s1 ZINC000736678389 598654794 /nfs/dbraw/zinc/65/47/94/598654794.db2.gz CAQNXZFEZYETKI-UHFFFAOYSA-N -1 3 370.463 3.093 20 30 FGEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)CSc2ccc(C#N)cc2)s1 ZINC000736678389 598654795 /nfs/dbraw/zinc/65/47/95/598654795.db2.gz CAQNXZFEZYETKI-UHFFFAOYSA-N -1 3 370.463 3.093 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(F)c(F)c(F)c1 ZINC000735421434 598656253 /nfs/dbraw/zinc/65/62/53/598656253.db2.gz ZOVJNCUXQHEVFU-UHFFFAOYSA-N -1 3 373.338 3.112 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(F)c(F)c(F)c1 ZINC000735421434 598656255 /nfs/dbraw/zinc/65/62/55/598656255.db2.gz ZOVJNCUXQHEVFU-UHFFFAOYSA-N -1 3 373.338 3.112 20 30 FGEDHM C[C@H](SCC(=O)Nc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)cc1 ZINC000736188517 599330106 /nfs/dbraw/zinc/33/01/06/599330106.db2.gz KSMSBOZDNBLPQW-LBPRGKRZSA-N -1 3 364.434 3.171 20 30 FGEDHM C[C@H](SCC(=O)Nc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)cc1 ZINC000736188517 599330107 /nfs/dbraw/zinc/33/01/07/599330107.db2.gz KSMSBOZDNBLPQW-LBPRGKRZSA-N -1 3 364.434 3.171 20 30 FGEDHM N#Cc1ccc(OCCNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000737722362 599334223 /nfs/dbraw/zinc/33/42/23/599334223.db2.gz UAGQAJGKRGBSLK-UHFFFAOYSA-N -1 3 374.326 3.248 20 30 FGEDHM N#Cc1ccc(OCCNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000737722362 599334226 /nfs/dbraw/zinc/33/42/26/599334226.db2.gz UAGQAJGKRGBSLK-UHFFFAOYSA-N -1 3 374.326 3.248 20 30 FGEDHM Clc1cc2c(c(Cl)c1)C(=NNc1ccc(-c3nn[n-]n3)cc1)CO2 ZINC000822567563 599338409 /nfs/dbraw/zinc/33/84/09/599338409.db2.gz DHLZJQUVCRWIQU-UHFFFAOYSA-N -1 3 361.192 3.382 20 30 FGEDHM O=C(C=Cc1cnc2ccc(Cl)cn12)c1cccc(-c2nnn[n-]2)c1 ZINC000737808424 599537763 /nfs/dbraw/zinc/53/77/63/599537763.db2.gz SPJSUVSAYMKXSQ-WAYWQWQTSA-N -1 3 350.769 3.064 20 30 FGEDHM O=C(C=Cc1cnc2ccc(Cl)cn12)c1cccc(-c2nn[n-]n2)c1 ZINC000737808424 599537764 /nfs/dbraw/zinc/53/77/64/599537764.db2.gz SPJSUVSAYMKXSQ-WAYWQWQTSA-N -1 3 350.769 3.064 20 30 FGEDHM CC[C@H](C#N)Oc1cc(CN[C@H](C(=O)[O-])c2ccccc2)ccc1OC ZINC000736847954 600437582 /nfs/dbraw/zinc/43/75/82/600437582.db2.gz ICJTUWNNRJAKJR-APWZRJJASA-N -1 3 354.406 3.292 20 30 FGEDHM CN(C)c1cc(F)ccc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000821588288 607459449 /nfs/dbraw/zinc/45/94/49/607459449.db2.gz KTSCMVGBRVHINK-YVMONPNESA-N -1 3 355.348 3.107 20 30 FGEDHM CN(C)c1cc(F)ccc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000821588288 607459450 /nfs/dbraw/zinc/45/94/50/607459450.db2.gz KTSCMVGBRVHINK-YVMONPNESA-N -1 3 355.348 3.107 20 30 FGEDHM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000829532549 601299258 /nfs/dbraw/zinc/29/92/58/601299258.db2.gz RBSFARJZURBEQW-LJQANCHMSA-N -1 3 354.406 3.271 20 30 FGEDHM N#Cc1cccc([C@H](NCc2ccc(OCC(F)(F)F)cc2)C(=O)[O-])c1 ZINC000833075341 601300127 /nfs/dbraw/zinc/30/01/27/601300127.db2.gz KJKVQUCYFBXZNC-INIZCTEOSA-N -1 3 364.323 3.415 20 30 FGEDHM CC(C)c1nc([C@@H]2CCCN([C@H](C(=O)[O-])c3cccc(C#N)c3)C2)no1 ZINC000827144558 601312049 /nfs/dbraw/zinc/31/20/49/601312049.db2.gz OCZQURRKYRUOQR-CVEARBPZSA-N -1 3 354.410 3.070 20 30 FGEDHM CSCC[C@@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000739995216 602479784 /nfs/dbraw/zinc/47/97/84/602479784.db2.gz CWVOTFCYBWNXAQ-NXEZZACHSA-N -1 3 367.427 3.001 20 30 FGEDHM CSCC[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000739995219 602479819 /nfs/dbraw/zinc/47/98/19/602479819.db2.gz CWVOTFCYBWNXAQ-UWVGGRQHSA-N -1 3 367.427 3.001 20 30 FGEDHM Cc1cc(C#N)ccc1C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000826257098 607669238 /nfs/dbraw/zinc/66/92/38/607669238.db2.gz NJGAKOHMRLTPTJ-UHFFFAOYSA-N -1 3 362.393 3.086 20 30 FGEDHM Cc1cc(C#N)ccc1C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000826257098 607669239 /nfs/dbraw/zinc/66/92/39/607669239.db2.gz NJGAKOHMRLTPTJ-UHFFFAOYSA-N -1 3 362.393 3.086 20 30 FGEDHM C=CCc1cc(CN2CCc3ccccc3[C@H]2C(=O)[O-])cc(OC)c1O ZINC000833379598 604670451 /nfs/dbraw/zinc/67/04/51/604670451.db2.gz HVYUFLMGRYTOPV-IBGZPJMESA-N -1 3 353.418 3.313 20 30 FGEDHM C[C@H](C#N)OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819857761 606236201 /nfs/dbraw/zinc/23/62/01/606236201.db2.gz UWUURHKTFPORFM-LLVKDONJSA-N -1 3 351.391 3.087 20 30 FGEDHM C[C@H](C#N)OC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819857761 606236204 /nfs/dbraw/zinc/23/62/04/606236204.db2.gz UWUURHKTFPORFM-LLVKDONJSA-N -1 3 351.391 3.087 20 30 FGEDHM COc1cc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1OC ZINC000821708223 606392454 /nfs/dbraw/zinc/39/24/54/606392454.db2.gz LUMBZTMBQUXKOQ-XQRVVYSFSA-N -1 3 356.407 3.150 20 30 FGEDHM N#CCCCOc1cccc(NCc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC000822806511 606448925 /nfs/dbraw/zinc/44/89/25/606448925.db2.gz PCKYSTSKQRSBID-UHFFFAOYSA-N -1 3 352.373 3.300 20 30 FGEDHM N#CCCCOc1cccc(NCc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC000822806511 606448926 /nfs/dbraw/zinc/44/89/26/606448926.db2.gz PCKYSTSKQRSBID-UHFFFAOYSA-N -1 3 352.373 3.300 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1CCOc1ccccc1-c1nnn[n-]1 ZINC000822801902 606452210 /nfs/dbraw/zinc/45/22/10/606452210.db2.gz QODZKHUVYROBQD-RTBURBONSA-N -1 3 374.448 3.017 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1CCOc1ccccc1-c1nn[n-]n1 ZINC000822801902 606452211 /nfs/dbraw/zinc/45/22/11/606452211.db2.gz QODZKHUVYROBQD-RTBURBONSA-N -1 3 374.448 3.017 20 30 FGEDHM N#Cc1cccc(OCCCNc2ccc(Cl)c(-c3nnn[n-]3)c2)c1 ZINC000822836991 606862814 /nfs/dbraw/zinc/86/28/14/606862814.db2.gz DICRVQUUFIACFI-UHFFFAOYSA-N -1 3 354.801 3.273 20 30 FGEDHM N#Cc1cccc(OCCCNc2ccc(Cl)c(-c3nn[n-]n3)c2)c1 ZINC000822836991 606862815 /nfs/dbraw/zinc/86/28/15/606862815.db2.gz DICRVQUUFIACFI-UHFFFAOYSA-N -1 3 354.801 3.273 20 30 FGEDHM N#Cc1cc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)ccc1F ZINC000822818499 607007254 /nfs/dbraw/zinc/00/72/54/607007254.db2.gz AIAIZBTUESCFNF-UHFFFAOYSA-N -1 3 366.425 3.444 20 30 FGEDHM N#Cc1cc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)ccc1F ZINC000822818499 607007255 /nfs/dbraw/zinc/00/72/55/607007255.db2.gz AIAIZBTUESCFNF-UHFFFAOYSA-N -1 3 366.425 3.444 20 30 FGEDHM C[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820379582 607204347 /nfs/dbraw/zinc/20/43/47/607204347.db2.gz DQQLWWWVSPBFOX-SNVBAGLBSA-N -1 3 367.800 3.274 20 30 FGEDHM C[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820379582 607204348 /nfs/dbraw/zinc/20/43/48/607204348.db2.gz DQQLWWWVSPBFOX-SNVBAGLBSA-N -1 3 367.800 3.274 20 30 FGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cnn(Cc2ccccc2)c1 ZINC000826402670 607885581 /nfs/dbraw/zinc/88/55/81/607885581.db2.gz ZMMJLYYBLLYEBD-KHPPLWFESA-N -1 3 356.389 3.008 20 30 FGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cnn(Cc2ccccc2)c1 ZINC000826402670 607885582 /nfs/dbraw/zinc/88/55/82/607885582.db2.gz ZMMJLYYBLLYEBD-KHPPLWFESA-N -1 3 356.389 3.008 20 30 FGEDHM C=C[C@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC000823883704 607965364 /nfs/dbraw/zinc/96/53/64/607965364.db2.gz YFQPEBOHNNVRPO-CYBMUJFWSA-N -1 3 350.378 3.141 20 30 FGEDHM C=C[C@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC000823883704 607965365 /nfs/dbraw/zinc/96/53/65/607965365.db2.gz YFQPEBOHNNVRPO-CYBMUJFWSA-N -1 3 350.378 3.141 20 30 FGEDHM CC(C)CN(C(=O)c1ccc(CC#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824255723 607980293 /nfs/dbraw/zinc/98/02/93/607980293.db2.gz VAFJVWLNZACVKD-UHFFFAOYSA-N -1 3 360.421 3.236 20 30 FGEDHM CC(C)CN(C(=O)c1ccc(CC#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824255723 607980294 /nfs/dbraw/zinc/98/02/94/607980294.db2.gz VAFJVWLNZACVKD-UHFFFAOYSA-N -1 3 360.421 3.236 20 30 FGEDHM N#Cc1ccc(F)c(CNc2ccc(-c3nn[n-]n3)cc2Br)c1 ZINC000826385351 608051033 /nfs/dbraw/zinc/05/10/33/608051033.db2.gz IOOAYXLLEITJNA-UHFFFAOYSA-N -1 3 373.189 3.252 20 30 FGEDHM CC(CSc1ccccc1[N+](=O)[O-])N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000824447867 608228112 /nfs/dbraw/zinc/22/81/12/608228112.db2.gz CKERPGRBZMXLEC-UHFFFAOYSA-N -1 3 369.410 3.355 20 30 FGEDHM CC(CSc1ccccc1[N+](=O)[O-])N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000824447867 608228113 /nfs/dbraw/zinc/22/81/13/608228113.db2.gz CKERPGRBZMXLEC-UHFFFAOYSA-N -1 3 369.410 3.355 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(Cl)c(F)c1 ZINC000826403502 608229417 /nfs/dbraw/zinc/22/94/17/608229417.db2.gz UFFWJKLJWVSDMQ-HYXAFXHYSA-N -1 3 368.759 3.203 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(Cl)c(F)c1 ZINC000826403502 608229420 /nfs/dbraw/zinc/22/94/20/608229420.db2.gz UFFWJKLJWVSDMQ-HYXAFXHYSA-N -1 3 368.759 3.203 20 30 FGEDHM CCOc1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1[N+](=O)[O-] ZINC000825632646 608230462 /nfs/dbraw/zinc/23/04/62/608230462.db2.gz YTKSOBYZRVFAMD-SNAWJCMRSA-N -1 3 371.378 3.131 20 30 FGEDHM CCOc1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1[N+](=O)[O-] ZINC000825632646 608230463 /nfs/dbraw/zinc/23/04/63/608230463.db2.gz YTKSOBYZRVFAMD-SNAWJCMRSA-N -1 3 371.378 3.131 20 30 FGEDHM O=C1c2cccc(Br)c2CC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826475671 608288848 /nfs/dbraw/zinc/28/88/48/608288848.db2.gz MQNQFFVVAFGEQV-WQLSENKSSA-N -1 3 367.206 3.452 20 30 FGEDHM O=C1c2cccc(Br)c2CC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826475671 608288849 /nfs/dbraw/zinc/28/88/49/608288849.db2.gz MQNQFFVVAFGEQV-WQLSENKSSA-N -1 3 367.206 3.452 20 30 FGEDHM CCN(C(=O)c1sccc1-c1nnn[n-]1)c1ccc(C#N)c(Cl)c1 ZINC000825390990 608344575 /nfs/dbraw/zinc/34/45/75/608344575.db2.gz RGVAGTNRDPOQKX-UHFFFAOYSA-N -1 3 358.814 3.120 20 30 FGEDHM CCN(C(=O)c1sccc1-c1nn[n-]n1)c1ccc(C#N)c(Cl)c1 ZINC000825390990 608344577 /nfs/dbraw/zinc/34/45/77/608344577.db2.gz RGVAGTNRDPOQKX-UHFFFAOYSA-N -1 3 358.814 3.120 20 30 FGEDHM COc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000826169567 608367493 /nfs/dbraw/zinc/36/74/93/608367493.db2.gz XAWFCITULCRSHR-RBUKOAKNSA-N -1 3 374.448 3.147 20 30 FGEDHM Cc1cc(C)c2c(c1)C(N=Nc1cc(-c3nnn[n-]3)cc(Cl)n1)CCO2 ZINC000826263694 608541209 /nfs/dbraw/zinc/54/12/09/608541209.db2.gz MSGHDKXNGNFKSE-UHFFFAOYSA-N -1 3 369.816 3.131 20 30 FGEDHM Cc1cc(C)c2c(c1)C(N=Nc1cc(-c3nn[n-]n3)cc(Cl)n1)CCO2 ZINC000826263694 608541211 /nfs/dbraw/zinc/54/12/11/608541211.db2.gz MSGHDKXNGNFKSE-UHFFFAOYSA-N -1 3 369.816 3.131 20 30 FGEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000826286303 609269800 /nfs/dbraw/zinc/26/98/00/609269800.db2.gz XWACJHABYKZQCS-DAXSKMNVSA-N -1 3 353.313 3.119 20 30 FGEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000826286303 609269801 /nfs/dbraw/zinc/26/98/01/609269801.db2.gz XWACJHABYKZQCS-DAXSKMNVSA-N -1 3 353.313 3.119 20 30 FGEDHM CCOc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1OC ZINC000825616058 609271891 /nfs/dbraw/zinc/27/18/91/609271891.db2.gz VAWSJLQVIGPRRW-YWEYNIOJSA-N -1 3 368.368 3.309 20 30 FGEDHM CCOc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1OC ZINC000825616058 609271892 /nfs/dbraw/zinc/27/18/92/609271892.db2.gz VAWSJLQVIGPRRW-YWEYNIOJSA-N -1 3 368.368 3.309 20 30 FGEDHM CCOc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)ccc1OC ZINC000825616057 609272000 /nfs/dbraw/zinc/27/20/00/609272000.db2.gz VAWSJLQVIGPRRW-XBXARRHUSA-N -1 3 368.368 3.309 20 30 FGEDHM CCOc1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)ccc1OC ZINC000825616057 609272002 /nfs/dbraw/zinc/27/20/02/609272002.db2.gz VAWSJLQVIGPRRW-XBXARRHUSA-N -1 3 368.368 3.309 20 30 FGEDHM CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823962535 609277608 /nfs/dbraw/zinc/27/76/08/609277608.db2.gz LAEGERJDYZIFLP-UHFFFAOYSA-N -1 3 355.333 3.059 20 30 FGEDHM CC(=NNc1cccc([N+](=O)[O-])c1C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962535 609277610 /nfs/dbraw/zinc/27/76/10/609277610.db2.gz LAEGERJDYZIFLP-UHFFFAOYSA-N -1 3 355.333 3.059 20 30 FGEDHM Clc1ccc2cccnc2c1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826352561 609278400 /nfs/dbraw/zinc/27/84/00/609278400.db2.gz GASQWAGPEBGUNA-UHFFFAOYSA-N -1 3 363.812 3.192 20 30 FGEDHM Clc1ccc2cccnc2c1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826352561 609278402 /nfs/dbraw/zinc/27/84/02/609278402.db2.gz GASQWAGPEBGUNA-UHFFFAOYSA-N -1 3 363.812 3.192 20 30 FGEDHM Cc1cc(Cl)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1C ZINC000826267814 609283381 /nfs/dbraw/zinc/28/33/81/609283381.db2.gz XRUZRGXKGLXCMB-UHFFFAOYSA-N -1 3 352.785 3.261 20 30 FGEDHM Cc1cc(Cl)c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1C ZINC000826267814 609283383 /nfs/dbraw/zinc/28/33/83/609283383.db2.gz XRUZRGXKGLXCMB-UHFFFAOYSA-N -1 3 352.785 3.261 20 30 FGEDHM Cc1ccc(C)c(NN=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826285162 609304437 /nfs/dbraw/zinc/30/44/37/609304437.db2.gz QYEYVVGMXUJHKB-UHFFFAOYSA-N -1 3 372.436 3.330 20 30 FGEDHM Cc1ccc(C)c(NN=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826285162 609304439 /nfs/dbraw/zinc/30/44/39/609304439.db2.gz QYEYVVGMXUJHKB-UHFFFAOYSA-N -1 3 372.436 3.330 20 30 FGEDHM Cc1cccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826295543 609308154 /nfs/dbraw/zinc/30/81/54/609308154.db2.gz MAZXBWNCDUJVBB-ZHACJKMWSA-N -1 3 370.416 3.472 20 30 FGEDHM Cc1cccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826295543 609308156 /nfs/dbraw/zinc/30/81/56/609308156.db2.gz MAZXBWNCDUJVBB-ZHACJKMWSA-N -1 3 370.416 3.472 20 30 FGEDHM CCC[C@@H](C#N)NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000825224949 609332349 /nfs/dbraw/zinc/33/23/49/609332349.db2.gz HTKFMPBWEZPEID-ZDUSSCGKSA-N -1 3 362.393 3.081 20 30 FGEDHM CCC[C@@H](C#N)NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000825224949 609332351 /nfs/dbraw/zinc/33/23/51/609332351.db2.gz HTKFMPBWEZPEID-ZDUSSCGKSA-N -1 3 362.393 3.081 20 30 FGEDHM C=C1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000823883376 609380123 /nfs/dbraw/zinc/38/01/23/609380123.db2.gz POBNLMWTOLZPEY-UHFFFAOYSA-N -1 3 361.405 3.451 20 30 FGEDHM C=C1CCN(C(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000823883376 609380126 /nfs/dbraw/zinc/38/01/26/609380126.db2.gz POBNLMWTOLZPEY-UHFFFAOYSA-N -1 3 361.405 3.451 20 30 FGEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826380571 609386085 /nfs/dbraw/zinc/38/60/85/609386085.db2.gz FPYSZVCEXKKIRS-BBRMVZONSA-N -1 3 374.404 3.081 20 30 FGEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826380571 609386087 /nfs/dbraw/zinc/38/60/87/609386087.db2.gz FPYSZVCEXKKIRS-BBRMVZONSA-N -1 3 374.404 3.081 20 30 FGEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccc([S@](C)=O)cc1 ZINC000823958129 609474698 /nfs/dbraw/zinc/47/46/98/609474698.db2.gz DKNRRXOMOGBXCW-VWLOTQADSA-N -1 3 374.857 3.094 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccc([S@](C)=O)cc1 ZINC000823958129 609474700 /nfs/dbraw/zinc/47/47/00/609474700.db2.gz DKNRRXOMOGBXCW-VWLOTQADSA-N -1 3 374.857 3.094 20 30 FGEDHM N#CCCCOc1cccc(NCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826381711 609477653 /nfs/dbraw/zinc/47/76/53/609477653.db2.gz WERQKOWDWQGLHD-UHFFFAOYSA-N -1 3 352.373 3.300 20 30 FGEDHM N#CCCCOc1cccc(NCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826381711 609477654 /nfs/dbraw/zinc/47/76/54/609477654.db2.gz WERQKOWDWQGLHD-UHFFFAOYSA-N -1 3 352.373 3.300 20 30 FGEDHM CC(C)c1csc(C(C#N)=C([O-])c2ccc(Cn3cncn3)cc2)n1 ZINC000080452467 700317724 /nfs/dbraw/zinc/31/77/24/700317724.db2.gz HEWQFOHEAMWGQO-HNNXBMFYSA-N -1 3 351.435 3.396 20 30 FGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C#N)c(Cl)c1 ZINC000123853419 700710903 /nfs/dbraw/zinc/71/09/03/700710903.db2.gz YJYXBMBCXNGQFQ-CYBMUJFWSA-N -1 3 353.765 3.181 20 30 FGEDHM C=CCOc1c(Br)cc(C=Cc2nccc(=O)[n-]2)cc1OC ZINC000131818225 700820138 /nfs/dbraw/zinc/82/01/38/700820138.db2.gz NZNBILURHULIFV-SNAWJCMRSA-N -1 3 363.211 3.276 20 30 FGEDHM COCCn1nc(C)c(C(=O)/C=C\c2cc(Cl)c([O-])c(OC)c2)c1C ZINC000255843856 713707531 /nfs/dbraw/zinc/70/75/31/713707531.db2.gz KCLKXFQMFRRZRI-WAYWQWQTSA-N -1 3 364.829 3.410 20 30 FGEDHM Cc1ncc(CO)c(/C=N\C[C@H](O)c2ccc(Cl)cc2Cl)c1[O-] ZINC000731936934 722479574 /nfs/dbraw/zinc/47/95/74/722479574.db2.gz CLNFQLAATVQHDT-AHKOWJDHSA-N -1 3 355.221 3.047 20 30 FGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCCN(c3ccccc3Cl)C2)c1[O-] ZINC000741466453 722546198 /nfs/dbraw/zinc/54/61/98/722546198.db2.gz RQMXBYJKLVAEGJ-GRKWUUPQSA-N -1 3 359.857 3.329 20 30 FGEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cnc2ccsc2c1 ZINC000743448884 722567623 /nfs/dbraw/zinc/56/76/23/722567623.db2.gz FKJUFLPBUYMUNP-UHFFFAOYSA-N -1 3 359.476 3.182 20 30 FGEDHM N#Cc1ccc2c(c1)CCCCC2=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000794856511 723549271 /nfs/dbraw/zinc/54/92/71/723549271.db2.gz HIRJFIOHNDBCHT-UHFFFAOYSA-N -1 3 353.447 3.108 20 30 FGEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2csc(C)c2)cc1 ZINC000796792174 723655070 /nfs/dbraw/zinc/65/50/70/723655070.db2.gz JFERFSWBINUNSM-OAHLLOKOSA-N -1 3 356.403 3.194 20 30 FGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2C[C@H]2c2ccc(Br)cc2)c1[O-] ZINC000797784154 723860917 /nfs/dbraw/zinc/86/09/17/723860917.db2.gz RSEAFOFHXBNDSI-OLGKDWKGSA-N -1 3 361.239 3.325 20 30 FGEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCCOc2cc(Cl)ccc21 ZINC000774586130 723908870 /nfs/dbraw/zinc/90/88/70/723908870.db2.gz GBRQPTOZFDJERJ-UHFFFAOYSA-N -1 3 364.854 3.336 20 30 FGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1)=C([O-])c1cnn(CC(F)(F)F)c1 ZINC000786931397 725008563 /nfs/dbraw/zinc/00/85/63/725008563.db2.gz XONRVSGRZYEKCR-LBPRGKRZSA-N -1 3 370.718 3.060 20 30 FGEDHM C=CCOC(=O)c1sc2[nH]c(-c3cc([O-])cc(F)c3)nc(=O)c2c1C ZINC000809149374 725231909 /nfs/dbraw/zinc/23/19/09/725231909.db2.gz NGSDQPGSBCQANM-UHFFFAOYSA-N -1 3 360.366 3.148 20 30 FGEDHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cccc(C#N)n3)nc(=O)c2c1C ZINC000811251916 725353469 /nfs/dbraw/zinc/35/34/69/725353469.db2.gz XPJNZQKGJMDJIW-SECBINFHSA-N -1 3 354.391 3.198 20 30 FGEDHM COc1ccc(C[C@](C)(O)C/N=C/c2cc(Cl)ccc2[O-])cc1OC ZINC000811625952 725375208 /nfs/dbraw/zinc/37/52/08/725375208.db2.gz ZHXCFGWHXFEQIY-QVQQHXNLSA-N -1 3 363.841 3.475 20 30 FGEDHM Cc1cc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)c(C#N)cc1N(C)C ZINC000811833170 725382237 /nfs/dbraw/zinc/38/22/37/725382237.db2.gz PIFGRJOGFBBKOW-CMDGGOBGSA-N -1 3 359.426 3.484 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC[C@@]1(C)C[C@]1(F)Cl ZINC000822068138 729144526 /nfs/dbraw/zinc/14/45/26/729144526.db2.gz LEVYGCGPYHQERM-DLBZAZTESA-N -1 3 354.809 3.456 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC[C@]1(C)C[C@@]1(F)Cl ZINC000822068146 729144597 /nfs/dbraw/zinc/14/45/97/729144597.db2.gz LEVYGCGPYHQERM-SJORKVTESA-N -1 3 354.809 3.456 20 30 FGEDHM CSc1ccccc1CC(C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000826230803 729406315 /nfs/dbraw/zinc/40/63/15/729406315.db2.gz KJWVEDDARINFFH-UHFFFAOYSA-N -1 3 352.467 3.297 20 30 FGEDHM CSc1ccccc1CC(C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000826230803 729406316 /nfs/dbraw/zinc/40/63/16/729406316.db2.gz KJWVEDDARINFFH-UHFFFAOYSA-N -1 3 352.467 3.297 20 30 FGEDHM CC(C)(C)OC(=O)N1CCO[C@H](C/N=C/c2cc(Cl)ccc2[O-])C1 ZINC000840708610 730164589 /nfs/dbraw/zinc/16/45/89/730164589.db2.gz CKQAOFFYBYMWCQ-MRGVZLDZSA-N -1 3 354.834 3.100 20 30 FGEDHM C[C@H]1CCn2ncc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)c2C1 ZINC000842685288 730531176 /nfs/dbraw/zinc/53/11/76/730531176.db2.gz CFOZGIAYPKOOOX-RYUDHWBXSA-N -1 3 356.813 3.080 20 30 FGEDHM C[C@]1(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)C[C@@]1(F)Cl ZINC000845984608 730916077 /nfs/dbraw/zinc/91/60/77/730916077.db2.gz WYVZJNWJKOFJIA-STQMWFEESA-N -1 3 351.230 3.195 20 30 FGEDHM C=C(C)CO[N-]C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000846539192 730962270 /nfs/dbraw/zinc/96/22/70/730962270.db2.gz YPAGPYDRDOYBQA-ZDUSSCGKSA-N -1 3 371.264 3.470 20 30 FGEDHM Cc1cc([O-])c(C=NN2C(=S)N=NC2[C@@H]2CCCCO2)cc1Cl ZINC000853313247 731693816 /nfs/dbraw/zinc/69/38/16/731693816.db2.gz LAUURZSPIMNZKK-ZDUSSCGKSA-N -1 3 352.847 3.358 20 30 FGEDHM C=CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(C)(C)C ZINC000857650706 732149118 /nfs/dbraw/zinc/14/91/18/732149118.db2.gz DSLOPHCBIYTTLQ-UHFFFAOYSA-N -1 3 370.490 3.329 20 30 FGEDHM CC(C)(C/N=C/c1cc(Br)ccc1[O-])C(=O)N1CCCC1 ZINC000864346262 733048253 /nfs/dbraw/zinc/04/82/53/733048253.db2.gz RNZRSANNNPAXPR-VCHYOVAHSA-N -1 3 353.260 3.222 20 30 FGEDHM Cc1sc([N-]C(=O)c2coc3c2C(=O)NCC(C)(C)C3)c(C#N)c1C ZINC000875010664 735953748 /nfs/dbraw/zinc/95/37/48/735953748.db2.gz DSPCJCKHBGTTIY-UHFFFAOYSA-N -1 3 357.435 3.394 20 30 FGEDHM N#Cc1cnc(NCc2cc(=O)[n-]c(C3CCC3)n2)c(Br)c1 ZINC000882685504 737478759 /nfs/dbraw/zinc/47/87/59/737478759.db2.gz RYSBXZGMRVIAMR-UHFFFAOYSA-N -1 3 360.215 3.091 20 30 FGEDHM Cc1cc(Br)c([O-])c(CN2CCC3(CC2)CC(=O)C=CO3)c1 ZINC000897602901 742694907 /nfs/dbraw/zinc/69/49/07/742694907.db2.gz ZIXDDEBAMFDSHY-UHFFFAOYSA-N -1 3 366.255 3.301 20 30 FGEDHM N#Cc1c2c(sc1[N-]C(=O)c1coc3c1C(=O)NCCC3)CCCC2 ZINC000901242964 743241127 /nfs/dbraw/zinc/24/11/27/743241127.db2.gz 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FGEDHM COC(=O)c1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)cn1C ZINC000496357564 502885779 /nfs/dbraw/zinc/88/57/79/502885779.db2.gz NRDOLPHBEVIGRU-NSHDSACASA-N -1 3 372.331 3.047 20 30 FGEDHM CC[C@](C)([N-]S(=O)(=O)c1ccc(C#N)c(F)c1)c1nc(C)cs1 ZINC000489522486 502978369 /nfs/dbraw/zinc/97/83/69/502978369.db2.gz YTCPNKBPODBVQC-HNNXBMFYSA-N -1 3 353.444 3.066 20 30 FGEDHM Cn1c2ccccc2nc1C(C#N)=C([O-])c1c[nH]c2cc([N+](=O)[O-])ccc12 ZINC000513652869 502991845 /nfs/dbraw/zinc/99/18/45/502991845.db2.gz BPHKBFACMGXATI-ZDUSSCGKSA-N -1 3 359.345 3.453 20 30 FGEDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@H](C)c2ccc(C#N)cc2)cc1C ZINC000497793794 503042850 /nfs/dbraw/zinc/04/28/50/503042850.db2.gz OBWZYKDNOQFBJB-CYBMUJFWSA-N -1 3 359.407 3.123 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2F)c(Cl)c1 ZINC000492003022 503343000 /nfs/dbraw/zinc/34/30/00/503343000.db2.gz USFJXMGRKKUAKM-UHFFFAOYSA-N -1 3 359.209 3.483 20 30 FGEDHM N#Cc1cccc(COc2ccc(NC(=O)c3nc[n-]n3)cc2Cl)c1 ZINC000512295981 503512423 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FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC[C@@H](C)C(C)(C)C ZINC000735420690 599146999 /nfs/dbraw/zinc/14/69/99/599146999.db2.gz QAZDFWYNJKOTAG-CQSZACIVSA-N -1 3 356.474 3.247 20 30 FGEDHM COc1ccc(C=C2COc3cc(C)cc(C)c3C2=O)cc1-c1nnn[n-]1 ZINC000737084790 599156337 /nfs/dbraw/zinc/15/63/37/599156337.db2.gz VZXDQIIOQMYTCB-RIYZIHGNSA-N -1 3 362.389 3.151 20 30 FGEDHM COc1ccc(C=C2COc3cc(C)cc(C)c3C2=O)cc1-c1nn[n-]n1 ZINC000737084790 599156340 /nfs/dbraw/zinc/15/63/40/599156340.db2.gz VZXDQIIOQMYTCB-RIYZIHGNSA-N -1 3 362.389 3.151 20 30 FGEDHM N#Cc1ccc(SCc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000737723370 599164483 /nfs/dbraw/zinc/16/44/83/599164483.db2.gz TWWPJDKLDMTAHU-UHFFFAOYSA-N -1 3 361.390 3.081 20 30 FGEDHM N#Cc1ccc(SCc2nnc(-c3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000737723370 599164486 /nfs/dbraw/zinc/16/44/86/599164486.db2.gz TWWPJDKLDMTAHU-UHFFFAOYSA-N -1 3 361.390 3.081 20 30 FGEDHM C=CC[C@@H](C)NC(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000735410010 599215848 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Cc1c(C(=O)C=Cc2ccc(F)c(F)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202170 598378196 /nfs/dbraw/zinc/37/81/96/598378196.db2.gz KYKHFLWJUJEZCE-FNORWQNLSA-N -1 3 355.348 3.097 20 30 FGEDHM Fc1cc(Br)ccc1NN=Cc1cccc(-c2nnn[n-]2)c1 ZINC000737645084 598641837 /nfs/dbraw/zinc/64/18/37/598641837.db2.gz QQDWHVGYEDBVOL-UHFFFAOYSA-N -1 3 361.178 3.214 20 30 FGEDHM Fc1cc(Br)ccc1NN=Cc1cccc(-c2nn[n-]n2)c1 ZINC000737645084 598641839 /nfs/dbraw/zinc/64/18/39/598641839.db2.gz QQDWHVGYEDBVOL-UHFFFAOYSA-N -1 3 361.178 3.214 20 30 FGEDHM C#Cc1cccc(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735390955 598647621 /nfs/dbraw/zinc/64/76/21/598647621.db2.gz JHNOESCOGPHGMU-UHFFFAOYSA-N -1 3 361.405 3.036 20 30 FGEDHM C#Cc1cccc(NC(=O)CCCCOc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735390955 598647622 /nfs/dbraw/zinc/64/76/22/598647622.db2.gz JHNOESCOGPHGMU-UHFFFAOYSA-N -1 3 361.405 3.036 20 30 FGEDHM CC1(C)C(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@H]2CCO[C@H]21 ZINC000736204737 599535629 /nfs/dbraw/zinc/53/56/29/599535629.db2.gz GQEJCOJJAUCICK-ZWNOBZJWSA-N -1 3 366.347 3.098 20 30 FGEDHM CC1(C)C(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@H]2CCO[C@H]21 ZINC000736204737 599535630 /nfs/dbraw/zinc/53/56/30/599535630.db2.gz GQEJCOJJAUCICK-ZWNOBZJWSA-N -1 3 366.347 3.098 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)c1ccsc1 ZINC000735419296 599543353 /nfs/dbraw/zinc/54/33/53/599543353.db2.gz RKFCTCKPIQECDS-ZDUSSCGKSA-N -1 3 353.451 3.247 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)c1ccsc1 ZINC000735419296 599543354 /nfs/dbraw/zinc/54/33/54/599543354.db2.gz RKFCTCKPIQECDS-ZDUSSCGKSA-N -1 3 353.451 3.247 20 30 FGEDHM CC[C@](C)(C#N)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736314859 599567310 /nfs/dbraw/zinc/56/73/10/599567310.db2.gz UUVANDPWTPQMON-LJQANCHMSA-N -1 3 361.409 3.032 20 30 FGEDHM C#C[C@@H](C)OC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000819688064 599624412 /nfs/dbraw/zinc/62/44/12/599624412.db2.gz CLROVOIWPAWUTE-CYBMUJFWSA-N -1 3 364.430 3.338 20 30 FGEDHM C#C[C@@H](C)OC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000819688064 599624413 /nfs/dbraw/zinc/62/44/13/599624413.db2.gz CLROVOIWPAWUTE-CYBMUJFWSA-N -1 3 364.430 3.338 20 30 FGEDHM CC#CCOC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000819764819 599661876 /nfs/dbraw/zinc/66/18/76/599661876.db2.gz LGUBZYWPFPDTNM-UHFFFAOYSA-N -1 3 368.780 3.493 20 30 FGEDHM CC#CCOC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000819764819 599661877 /nfs/dbraw/zinc/66/18/77/599661877.db2.gz LGUBZYWPFPDTNM-UHFFFAOYSA-N -1 3 368.780 3.493 20 30 FGEDHM CN(C(=O)OC(C)(C)C)C1CCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CC1 ZINC000737335774 600570380 /nfs/dbraw/zinc/57/03/80/600570380.db2.gz IVWKFCGMROMGDG-KRWDZBQOSA-N -1 3 373.453 3.015 20 30 FGEDHM COc1cc([C@H](C)N[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc(OC)c1OC ZINC000831956668 601301106 /nfs/dbraw/zinc/30/11/06/601301106.db2.gz YKFLSQHVJHJYQK-KPZWWZAWSA-N -1 3 370.405 3.061 20 30 FGEDHM N#Cc1cccc([C@H](NCc2cc(Br)cs2)C(=O)[O-])c1 ZINC000833076736 601302364 /nfs/dbraw/zinc/30/23/64/601302364.db2.gz YIUXINWAVXCCQF-ZDUSSCGKSA-N -1 3 351.225 3.298 20 30 FGEDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000830518960 601313478 /nfs/dbraw/zinc/31/34/78/601313478.db2.gz KFZNPKQHMZUHIS-SJORKVTESA-N -1 3 373.453 3.015 20 30 FGEDHM COc1ccc(CSCCOc2cccc(-c3nnn[n-]3)c2)cc1C#N ZINC000826207935 607534375 /nfs/dbraw/zinc/53/43/75/607534375.db2.gz LFAXOGXGLIKFAB-UHFFFAOYSA-N -1 3 367.434 3.059 20 30 FGEDHM COc1ccc(CSCCOc2cccc(-c3nn[n-]n3)c2)cc1C#N ZINC000826207935 607534377 /nfs/dbraw/zinc/53/43/77/607534377.db2.gz LFAXOGXGLIKFAB-UHFFFAOYSA-N -1 3 367.434 3.059 20 30 FGEDHM COc1ccc(CSCc2ccc(F)cc2-c2nnn[n-]2)cc1C#N ZINC000826207799 607534458 /nfs/dbraw/zinc/53/44/58/607534458.db2.gz DUQLBDHAIFDNFU-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM COc1ccc(CSCc2ccc(F)cc2-c2nn[n-]n2)cc1C#N ZINC000826207799 607534459 /nfs/dbraw/zinc/53/44/59/607534459.db2.gz DUQLBDHAIFDNFU-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM COc1ccc(CSCc2ccc(F)cc2C#N)cc1-c1nnn[n-]1 ZINC000826208069 607534540 /nfs/dbraw/zinc/53/45/40/607534540.db2.gz RGURGWWLSZVWMG-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM COc1ccc(CSCc2ccc(F)cc2C#N)cc1-c1nn[n-]n1 ZINC000826208069 607534543 /nfs/dbraw/zinc/53/45/43/607534543.db2.gz RGURGWWLSZVWMG-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM C=CCSc1nc2ccccc2n1CN1CC[C@@H](NC(=O)[O-])[C@H](C)C1 ZINC000738502434 603394048 /nfs/dbraw/zinc/39/40/48/603394048.db2.gz DFMMIPBPPZXVJU-ZIAGYGMSSA-N -1 3 360.483 3.250 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)nc1C ZINC000823915037 607709478 /nfs/dbraw/zinc/70/94/78/607709478.db2.gz RRTNYEVEHYKREU-UHFFFAOYSA-N -1 3 368.828 3.052 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)nc1C ZINC000823915037 607709480 /nfs/dbraw/zinc/70/94/80/607709480.db2.gz RRTNYEVEHYKREU-UHFFFAOYSA-N -1 3 368.828 3.052 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822801764 606437426 /nfs/dbraw/zinc/43/74/26/606437426.db2.gz OCUDGVGCFJHFPL-ROUUACIJSA-N -1 3 373.420 3.170 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000822801764 606437427 /nfs/dbraw/zinc/43/74/27/606437427.db2.gz OCUDGVGCFJHFPL-ROUUACIJSA-N -1 3 373.420 3.170 20 30 FGEDHM C=C(Cl)CNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000819729082 606791482 /nfs/dbraw/zinc/79/14/82/606791482.db2.gz BQEWUKIJTOOJJA-UHFFFAOYSA-N -1 3 369.812 3.450 20 30 FGEDHM C=C(Cl)CNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000819729082 606791484 /nfs/dbraw/zinc/79/14/84/606791484.db2.gz BQEWUKIJTOOJJA-UHFFFAOYSA-N -1 3 369.812 3.450 20 30 FGEDHM N#Cc1ccc(NC(=O)C2(Cc3ccccc3)CCC2)cc1-c1nnn[n-]1 ZINC000822829628 606868628 /nfs/dbraw/zinc/86/86/28/606868628.db2.gz ATBKZLKRZMBMBY-UHFFFAOYSA-N -1 3 358.405 3.090 20 30 FGEDHM N#Cc1ccc(NC(=O)C2(Cc3ccccc3)CCC2)cc1-c1nn[n-]n1 ZINC000822829628 606868630 /nfs/dbraw/zinc/86/86/30/606868630.db2.gz ATBKZLKRZMBMBY-UHFFFAOYSA-N -1 3 358.405 3.090 20 30 FGEDHM C(=NNc1cccc2ncccc21)c1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000819718273 607146499 /nfs/dbraw/zinc/14/64/99/607146499.db2.gz DBPAIHNSNYJHAB-UHFFFAOYSA-N -1 3 354.377 3.342 20 30 FGEDHM C(=NNc1cccc2ncccc21)c1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000819718273 607146501 /nfs/dbraw/zinc/14/65/01/607146501.db2.gz DBPAIHNSNYJHAB-UHFFFAOYSA-N -1 3 354.377 3.342 20 30 FGEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1cnn(Cc2ccccc2)c1 ZINC000822929714 607151713 /nfs/dbraw/zinc/15/17/13/607151713.db2.gz XLHIZHKORYWNAL-KTKRTIGZSA-N -1 3 356.389 3.008 20 30 FGEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1cnn(Cc2ccccc2)c1 ZINC000822929714 607151715 /nfs/dbraw/zinc/15/17/15/607151715.db2.gz XLHIZHKORYWNAL-KTKRTIGZSA-N -1 3 356.389 3.008 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(C2CC2)CCC1 ZINC000823910011 607781890 /nfs/dbraw/zinc/78/18/90/607781890.db2.gz WCDSVQRVXIWWPC-UHFFFAOYSA-N -1 3 366.469 3.145 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(C2CC2)CCC1 ZINC000823910011 607781891 /nfs/dbraw/zinc/78/18/91/607781891.db2.gz WCDSVQRVXIWWPC-UHFFFAOYSA-N -1 3 366.469 3.145 20 30 FGEDHM CC(N=Nc1ccc(C(F)(F)F)cn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823958779 608091663 /nfs/dbraw/zinc/09/16/63/608091663.db2.gz VYAYRJONASMOGE-UHFFFAOYSA-N -1 3 353.333 3.178 20 30 FGEDHM CC(N=Nc1ccc(C(F)(F)F)cn1)c1ccc(-c2nn[n-]n2)s1 ZINC000823958779 608091664 /nfs/dbraw/zinc/09/16/64/608091664.db2.gz VYAYRJONASMOGE-UHFFFAOYSA-N -1 3 353.333 3.178 20 30 FGEDHM N#Cc1ccc(Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)nn1 ZINC000826385813 608404808 /nfs/dbraw/zinc/40/48/08/608404808.db2.gz BTMZHIDWJMHDIS-UHFFFAOYSA-N -1 3 356.349 3.064 20 30 FGEDHM COc1ccc2oc(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)cc2c1 ZINC000826213883 608537654 /nfs/dbraw/zinc/53/76/54/608537654.db2.gz PZHBHWWEZLFBFP-UHFFFAOYSA-N -1 3 369.772 3.116 20 30 FGEDHM COc1ccc2oc(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)cc2c1 ZINC000826213883 608537656 /nfs/dbraw/zinc/53/76/56/608537656.db2.gz PZHBHWWEZLFBFP-UHFFFAOYSA-N -1 3 369.772 3.116 20 30 FGEDHM CCOc1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000825632485 608537704 /nfs/dbraw/zinc/53/77/04/608537704.db2.gz URHDPXGMCMMDLS-UHFFFAOYSA-N -1 3 357.805 3.150 20 30 FGEDHM CCOc1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000825632485 608537706 /nfs/dbraw/zinc/53/77/06/608537706.db2.gz URHDPXGMCMMDLS-UHFFFAOYSA-N -1 3 357.805 3.150 20 30 FGEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cnc2ccsc2c1 ZINC000823958768 608538471 /nfs/dbraw/zinc/53/84/71/608538471.db2.gz VOIDWJNTPADUMN-UHFFFAOYSA-N -1 3 370.829 3.361 20 30 FGEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cnc2ccsc2c1 ZINC000823958768 608538472 /nfs/dbraw/zinc/53/84/72/608538472.db2.gz VOIDWJNTPADUMN-UHFFFAOYSA-N -1 3 370.829 3.361 20 30 FGEDHM CC(=NNc1ccc(OC(F)F)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958405 609159232 /nfs/dbraw/zinc/15/92/32/609159232.db2.gz MSTOCSIKRVSRSC-UHFFFAOYSA-N -1 3 362.315 3.443 20 30 FGEDHM CC(=NNc1ccc(OC(F)F)cc1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958405 609159234 /nfs/dbraw/zinc/15/92/34/609159234.db2.gz MSTOCSIKRVSRSC-UHFFFAOYSA-N -1 3 362.315 3.443 20 30 FGEDHM CC(=NNc1cc(F)c(F)cc1F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958152 609159310 /nfs/dbraw/zinc/15/93/10/609159310.db2.gz FIYBZDVGAWGHJG-UHFFFAOYSA-N -1 3 350.279 3.259 20 30 FGEDHM CC(=NNc1cc(F)c(F)cc1F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958152 609159312 /nfs/dbraw/zinc/15/93/12/609159312.db2.gz FIYBZDVGAWGHJG-UHFFFAOYSA-N -1 3 350.279 3.259 20 30 FGEDHM O=C(C=Cc1nccn1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402804 609272973 /nfs/dbraw/zinc/27/29/73/609272973.db2.gz CECZUOHTXNXPSW-CMDGGOBGSA-N -1 3 374.379 3.147 20 30 FGEDHM O=C(C=Cc1nccn1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402804 609272976 /nfs/dbraw/zinc/27/29/76/609272976.db2.gz CECZUOHTXNXPSW-CMDGGOBGSA-N -1 3 374.379 3.147 20 30 FGEDHM N#CC1(CSc2nc3c(c(-c4ccco4)c2-c2nnn[n-]2)CCC3)CC1 ZINC000826380073 609308642 /nfs/dbraw/zinc/30/86/42/609308642.db2.gz LZHKTFLFVANHIB-UHFFFAOYSA-N -1 3 364.434 3.406 20 30 FGEDHM Cc1nnc(SCC#Cc2cccc(Cl)c2)c(-c2nnn[n-]2)c1C ZINC000826336688 609308737 /nfs/dbraw/zinc/30/87/37/609308737.db2.gz JNRKOCFNOJVNOT-UHFFFAOYSA-N -1 3 356.842 3.071 20 30 FGEDHM Cc1nnc(SCC#Cc2cccc(Cl)c2)c(-c2nn[n-]n2)c1C ZINC000826336688 609308739 /nfs/dbraw/zinc/30/87/39/609308739.db2.gz JNRKOCFNOJVNOT-UHFFFAOYSA-N -1 3 356.842 3.071 20 30 FGEDHM CCC(=NNc1ccc(-c2nn[n-]n2)c(Cl)c1)c1c(C)nn(C)c1C ZINC000825028236 609470827 /nfs/dbraw/zinc/47/08/27/609470827.db2.gz GFEFRJNSKJIRQL-UHFFFAOYSA-N -1 3 358.837 3.097 20 30 FGEDHM N#Cc1ccc(NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)cc1Cl ZINC000826385617 609472791 /nfs/dbraw/zinc/47/27/91/609472791.db2.gz UKORSSNVVPNUAJ-UHFFFAOYSA-N -1 3 362.784 3.319 20 30 FGEDHM N#Cc1ccc(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cc1Cl ZINC000826385617 609472793 /nfs/dbraw/zinc/47/27/93/609472793.db2.gz UKORSSNVVPNUAJ-UHFFFAOYSA-N -1 3 362.784 3.319 20 30 FGEDHM CC[C@H]1C[C@@H](CN=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCO1 ZINC000825184551 609516946 /nfs/dbraw/zinc/51/69/46/609516946.db2.gz VZCCLVPWZGDMLP-JQWIXIFHSA-N -1 3 368.363 3.488 20 30 FGEDHM CC[C@H]1C[C@@H](CN=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCO1 ZINC000825184551 609516947 /nfs/dbraw/zinc/51/69/47/609516947.db2.gz VZCCLVPWZGDMLP-JQWIXIFHSA-N -1 3 368.363 3.488 20 30 FGEDHM N#C[C@@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1ccc(Cl)c(Cl)c1 ZINC000436556512 714026606 /nfs/dbraw/zinc/02/66/06/714026606.db2.gz QJXRLOQTODKTEF-GFCCVEGCSA-N -1 3 365.172 3.422 20 30 FGEDHM CC(C)(C#N)CCOC(=O)c1ccc(I)c([O-])c1 ZINC000760813946 723094971 /nfs/dbraw/zinc/09/49/71/723094971.db2.gz WVXCPVGUXZPBFL-UHFFFAOYSA-N -1 3 359.163 3.093 20 30 FGEDHM C#Cc1cccc(NC(=S)NN=Cc2cc(Cl)c([O-])c(OC)c2)c1 ZINC000727260487 722442738 /nfs/dbraw/zinc/44/27/38/722442738.db2.gz YBFMXQPJYMBVNT-UHFFFAOYSA-N -1 3 359.838 3.356 20 30 FGEDHM CCSc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)cn1 ZINC000727954782 722448835 /nfs/dbraw/zinc/44/88/35/722448835.db2.gz VGCULNJFXKXPTM-CYBMUJFWSA-N -1 3 355.419 3.163 20 30 FGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cnc(N2CCOCC2)s1 ZINC000727974447 722449019 /nfs/dbraw/zinc/44/90/19/722449019.db2.gz KOGYUQMZYOPRBH-MJWAUXSNSA-N -1 3 360.410 3.208 20 30 FGEDHM CC[C@@H](/N=C\c1cc(Cl)ccc1[O-])c1cccc(S(N)(=O)=O)c1 ZINC000729148726 722457552 /nfs/dbraw/zinc/45/75/52/722457552.db2.gz DHLMVVKZBOYDTN-SMLKNPDNSA-N -1 3 352.843 3.263 20 30 FGEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1csc(-c2ccccc2)n1 ZINC000743449049 722567589 /nfs/dbraw/zinc/56/75/89/722567589.db2.gz LSPYXMALHFHLGZ-UHFFFAOYSA-N -1 3 371.487 3.306 20 30 FGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3c(Cl)nc4ccccn43)nc1-2 ZINC000750723691 722778920 /nfs/dbraw/zinc/77/89/20/722778920.db2.gz KCOHVUQADWWPJJ-SNVBAGLBSA-N -1 3 350.769 3.058 20 30 FGEDHM COc1cc(/C=C\C(=O)c2cn3cccnc3n2)cc(Br)c1[O-] ZINC000791429856 723242755 /nfs/dbraw/zinc/24/27/55/723242755.db2.gz AALHZIXLTPVIBJ-ARJAWSKDSA-N -1 3 374.194 3.102 20 30 FGEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)c(F)c2)ccc1N1CCCC1 ZINC000794018248 723484208 /nfs/dbraw/zinc/48/42/08/723484208.db2.gz KOWZOZYNGPYYIT-UHFFFAOYSA-N -1 3 359.426 3.407 20 30 FGEDHM 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CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000735712739 599199001 /nfs/dbraw/zinc/19/90/01/599199001.db2.gz UFIPEMLGISGZMH-QGZVFWFLSA-N -1 3 360.421 3.192 20 30 FGEDHM CC(C)[C@@H](Cc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000735712739 599199003 /nfs/dbraw/zinc/19/90/03/599199003.db2.gz UFIPEMLGISGZMH-QGZVFWFLSA-N -1 3 360.421 3.192 20 30 FGEDHM Cc1cc(F)cc2c1ncc(C#N)c2N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737262339 599272898 /nfs/dbraw/zinc/27/28/98/599272898.db2.gz FGSFWVBWJWELNQ-GFCCVEGCSA-N -1 3 373.395 3.329 20 30 FGEDHM Cc1cc(F)cc2c1ncc(C#N)c2N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737262339 599272901 /nfs/dbraw/zinc/27/29/01/599272901.db2.gz FGSFWVBWJWELNQ-GFCCVEGCSA-N -1 3 373.395 3.329 20 30 FGEDHM C=CCCCOC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735412646 599277860 /nfs/dbraw/zinc/27/78/60/599277860.db2.gz GTUCBIPQMUSXHH-UHFFFAOYSA-N -1 3 354.366 3.162 20 30 FGEDHM C#Cc1cccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000735391958 598318318 /nfs/dbraw/zinc/31/83/18/598318318.db2.gz YWFAVQRGLRQHTD-UHFFFAOYSA-N -1 3 354.826 3.310 20 30 FGEDHM C#Cc1cccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000735391958 598318320 /nfs/dbraw/zinc/31/83/20/598318320.db2.gz YWFAVQRGLRQHTD-UHFFFAOYSA-N -1 3 354.826 3.310 20 30 FGEDHM C[C@H](OC(=O)c1cc2ccccc2n1CC#N)c1cccc(-c2nnn[n-]2)c1 ZINC000736157858 598331110 /nfs/dbraw/zinc/33/11/10/598331110.db2.gz CZZVUTHIBPFDCM-ZDUSSCGKSA-N -1 3 372.388 3.263 20 30 FGEDHM C[C@H](OC(=O)c1cc2ccccc2n1CC#N)c1cccc(-c2nn[n-]n2)c1 ZINC000736157858 598331112 /nfs/dbraw/zinc/33/11/12/598331112.db2.gz CZZVUTHIBPFDCM-ZDUSSCGKSA-N -1 3 372.388 3.263 20 30 FGEDHM N#CCCSc1ccccc1NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000737693920 598504649 /nfs/dbraw/zinc/50/46/49/598504649.db2.gz LGFQZJZZIQAPJV-UHFFFAOYSA-N -1 3 366.450 3.363 20 30 FGEDHM C=C1CCN(C(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CC1 ZINC000735402871 598512509 /nfs/dbraw/zinc/51/25/09/598512509.db2.gz LUEKFXKOUGZLNF-UHFFFAOYSA-N -1 3 361.405 3.451 20 30 FGEDHM C=C1CCN(C(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CC1 ZINC000735402871 598512510 /nfs/dbraw/zinc/51/25/10/598512510.db2.gz LUEKFXKOUGZLNF-UHFFFAOYSA-N -1 3 361.405 3.451 20 30 FGEDHM CCc1c(C)sc(NC(=O)CCc2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC000736669307 598516597 /nfs/dbraw/zinc/51/65/97/598516597.db2.gz CXZVRDKPUSLJGS-UHFFFAOYSA-N -1 3 366.450 3.242 20 30 FGEDHM CCc1c(C)sc(NC(=O)CCc2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000736669307 598516599 /nfs/dbraw/zinc/51/65/99/598516599.db2.gz CXZVRDKPUSLJGS-UHFFFAOYSA-N -1 3 366.450 3.242 20 30 FGEDHM N#Cc1ccc(-c2ccn(CCCOc3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737710168 598698696 /nfs/dbraw/zinc/69/86/96/598698696.db2.gz RUTZDLYPBATIMC-UHFFFAOYSA-N -1 3 371.404 3.071 20 30 FGEDHM COc1ccc(-c2nnn[n-]2)cc1CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000821736410 607371365 /nfs/dbraw/zinc/37/13/65/607371365.db2.gz JEFXSFKPNFMKTC-UHFFFAOYSA-N -1 3 374.326 3.378 20 30 FGEDHM COc1ccc(-c2nn[n-]n2)cc1CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000821736410 607371366 /nfs/dbraw/zinc/37/13/66/607371366.db2.gz JEFXSFKPNFMKTC-UHFFFAOYSA-N -1 3 374.326 3.378 20 30 FGEDHM Fc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(C(F)(F)F)c1 ZINC000822766374 607373440 /nfs/dbraw/zinc/37/34/40/607373440.db2.gz IKXPBKYWERLOMO-UHFFFAOYSA-N -1 3 364.306 3.148 20 30 FGEDHM Fc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(C(F)(F)F)c1 ZINC000822766374 607373442 /nfs/dbraw/zinc/37/34/42/607373442.db2.gz IKXPBKYWERLOMO-UHFFFAOYSA-N -1 3 364.306 3.148 20 30 FGEDHM CCO[C@H]1CC(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1(C)C ZINC000736618020 599458587 /nfs/dbraw/zinc/45/85/87/599458587.db2.gz UDTAINMKWOSHPK-ZDUSSCGKSA-N -1 3 368.363 3.488 20 30 FGEDHM CCO[C@H]1CC(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1(C)C ZINC000736618020 599458588 /nfs/dbraw/zinc/45/85/88/599458588.db2.gz UDTAINMKWOSHPK-ZDUSSCGKSA-N -1 3 368.363 3.488 20 30 FGEDHM O=C(C=Cc1cnc2ccc(Cl)cn12)c1ccc(-c2nnn[n-]2)cc1 ZINC000737809547 599538513 /nfs/dbraw/zinc/53/85/13/599538513.db2.gz XIJXNCVTPGDEBL-SREVYHEPSA-N -1 3 350.769 3.064 20 30 FGEDHM O=C(C=Cc1cnc2ccc(Cl)cn12)c1ccc(-c2nn[n-]n2)cc1 ZINC000737809547 599538514 /nfs/dbraw/zinc/53/85/14/599538514.db2.gz XIJXNCVTPGDEBL-SREVYHEPSA-N -1 3 350.769 3.064 20 30 FGEDHM C=CCC[C@@H](NC(=O)CNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819734813 607440292 /nfs/dbraw/zinc/44/02/92/607440292.db2.gz UPKCZEIPQHLSRR-GOSISDBHSA-N -1 3 362.437 3.102 20 30 FGEDHM Cc1cc(C)c2c(c1)OCC(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000822195288 607458513 /nfs/dbraw/zinc/45/85/13/607458513.db2.gz NLGXQFPOFIMGAY-AUWJEWJLSA-N -1 3 350.353 3.281 20 30 FGEDHM Cc1cc(C)c2c(c1)OCC(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000822195288 607458515 /nfs/dbraw/zinc/45/85/15/607458515.db2.gz NLGXQFPOFIMGAY-AUWJEWJLSA-N -1 3 350.353 3.281 20 30 FGEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833064048 601236891 /nfs/dbraw/zinc/23/68/91/601236891.db2.gz PFVZUOPNRWUHSB-FOGDFJRCSA-N -1 3 366.776 3.017 20 30 FGEDHM N#Cc1cccc([C@@H](NCc2ccc(OCC(F)(F)F)cc2)C(=O)[O-])c1 ZINC000833075342 601299839 /nfs/dbraw/zinc/29/98/39/601299839.db2.gz KJKVQUCYFBXZNC-MRXNPFEDSA-N -1 3 364.323 3.415 20 30 FGEDHM COc1cc(C)c([C@@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000831962216 601300929 /nfs/dbraw/zinc/30/09/29/601300929.db2.gz XBUSMOBFCCMWGY-YJYMSZOUSA-N -1 3 354.406 3.360 20 30 FGEDHM COc1ccc(Br)c(C=NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826186772 607652570 /nfs/dbraw/zinc/65/25/70/607652570.db2.gz KCFGEDGYCAICAP-UHFFFAOYSA-N -1 3 373.214 3.084 20 30 FGEDHM C=CCCCCCN(C)CC(=O)Nc1sc(C)c(C)c1-c1nnn[n-]1 ZINC000819739779 606112816 /nfs/dbraw/zinc/11/28/16/606112816.db2.gz HGVXXPPGKDYVTM-UHFFFAOYSA-N -1 3 362.503 3.162 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000822802302 606420394 /nfs/dbraw/zinc/42/03/94/606420394.db2.gz YZGYTNHVSIFUCH-HOCLYGCPSA-N -1 3 365.828 3.191 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000822802302 606420397 /nfs/dbraw/zinc/42/03/97/606420397.db2.gz YZGYTNHVSIFUCH-HOCLYGCPSA-N -1 3 365.828 3.191 20 30 FGEDHM C=CCN(Cc1nc2cc(F)ccc2o1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819745514 606766400 /nfs/dbraw/zinc/76/64/00/606766400.db2.gz HAPBPOUAYIQQHW-UHFFFAOYSA-N -1 3 364.384 3.335 20 30 FGEDHM Clc1cccc(Cl)c1NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000822586234 606839807 /nfs/dbraw/zinc/83/98/07/606839807.db2.gz URYPFNXNMDTEPC-UHFFFAOYSA-N -1 3 373.207 3.267 20 30 FGEDHM N#Cc1ccc(SCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC000822832632 606851997 /nfs/dbraw/zinc/85/19/97/606851997.db2.gz DFCJLCUDQUACHB-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1ccc(SCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC000822832632 606851999 /nfs/dbraw/zinc/85/19/99/606851999.db2.gz DFCJLCUDQUACHB-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1ccc(COc2ccc(Br)cc2-c2nnn[n-]2)c(F)c1 ZINC000822826428 607032010 /nfs/dbraw/zinc/03/20/10/607032010.db2.gz XVKXSTXKHDDORI-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM N#Cc1ccc(COc2ccc(Br)cc2-c2nn[n-]n2)c(F)c1 ZINC000822826428 607032011 /nfs/dbraw/zinc/03/20/11/607032011.db2.gz XVKXSTXKHDDORI-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(F)ccc1C#N ZINC000820120838 607060240 /nfs/dbraw/zinc/06/02/40/607060240.db2.gz LCZVMULQGVRPOW-UHFFFAOYSA-N -1 3 350.401 3.288 20 30 FGEDHM Fc1cc(F)c(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cc1F ZINC000822753591 607149187 /nfs/dbraw/zinc/14/91/87/607149187.db2.gz OSJXNGGSAHZCII-UHFFFAOYSA-N -1 3 357.299 3.211 20 30 FGEDHM CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821613230 607203502 /nfs/dbraw/zinc/20/35/02/607203502.db2.gz CZQLBGVLVYLPLP-UHFFFAOYSA-N -1 3 367.800 3.056 20 30 FGEDHM CN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821613230 607203503 /nfs/dbraw/zinc/20/35/03/607203503.db2.gz CZQLBGVLVYLPLP-UHFFFAOYSA-N -1 3 367.800 3.056 20 30 FGEDHM C[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl)c1cccc(C#N)c1 ZINC000820373473 607204237 /nfs/dbraw/zinc/20/42/37/607204237.db2.gz IEDJWZZESHZMFJ-SNVBAGLBSA-N -1 3 367.800 3.274 20 30 FGEDHM C[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(C#N)c1 ZINC000820373473 607204238 /nfs/dbraw/zinc/20/42/38/607204238.db2.gz IEDJWZZESHZMFJ-SNVBAGLBSA-N -1 3 367.800 3.274 20 30 FGEDHM O=C(/C=C/c1ccccc1-c1nn[n-]n1)c1c(Cl)nc2sccn21 ZINC000826401816 607884757 /nfs/dbraw/zinc/88/47/57/607884757.db2.gz HLMHYGPBHSOSKA-AATRIKPKSA-N -1 3 356.798 3.125 20 30 FGEDHM C=C(C)[C@H](CC(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1)OCC ZINC000823872700 607889088 /nfs/dbraw/zinc/88/90/88/607889088.db2.gz CSEZLWXYKGVIQV-KRWDZBQOSA-N -1 3 357.458 3.227 20 30 FGEDHM C=C(C)[C@H](CC(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1)OCC ZINC000823872700 607889089 /nfs/dbraw/zinc/88/90/89/607889089.db2.gz CSEZLWXYKGVIQV-KRWDZBQOSA-N -1 3 357.458 3.227 20 30 FGEDHM CC[C@H](C#N)NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000825038717 607981059 /nfs/dbraw/zinc/98/10/59/607981059.db2.gz GVKJSSCHYWDEEG-GFCCVEGCSA-N -1 3 364.434 3.050 20 30 FGEDHM CC[C@H](C#N)NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000825038717 607981060 /nfs/dbraw/zinc/98/10/60/607981060.db2.gz GVKJSSCHYWDEEG-GFCCVEGCSA-N -1 3 364.434 3.050 20 30 FGEDHM C=CCN(Cc1csc(C2CC2)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823914135 607983170 /nfs/dbraw/zinc/98/31/70/607983170.db2.gz BAYVKHVVLBRNPW-UHFFFAOYSA-N -1 3 352.467 3.389 20 30 FGEDHM C=CCN(Cc1csc(C2CC2)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914135 607983171 /nfs/dbraw/zinc/98/31/71/607983171.db2.gz BAYVKHVVLBRNPW-UHFFFAOYSA-N -1 3 352.467 3.389 20 30 FGEDHM COc1ccc(CSCc2cc(C#N)ccc2F)cc1-c1nnn[n-]1 ZINC000826207723 607983835 /nfs/dbraw/zinc/98/38/35/607983835.db2.gz AIOXXNMSRJWILK-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM COc1ccc(CSCc2cc(C#N)ccc2F)cc1-c1nn[n-]n1 ZINC000826207723 607983836 /nfs/dbraw/zinc/98/38/36/607983836.db2.gz AIOXXNMSRJWILK-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM CC(=NNC(=S)Nc1ccc(C)c(C)c1)c1ccc(-c2nnn[n-]2)s1 ZINC000823953564 608091681 /nfs/dbraw/zinc/09/16/81/608091681.db2.gz GXUKUMFDYYSVLE-UHFFFAOYSA-N -1 3 371.495 3.256 20 30 FGEDHM CCOc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000825631656 608230073 /nfs/dbraw/zinc/23/00/73/608230073.db2.gz FMWFSUGISWCBSH-VURMDHGXSA-N -1 3 365.349 3.070 20 30 FGEDHM CCOc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000825631656 608230074 /nfs/dbraw/zinc/23/00/74/608230074.db2.gz FMWFSUGISWCBSH-VURMDHGXSA-N -1 3 365.349 3.070 20 30 FGEDHM CSc1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000826230025 608537397 /nfs/dbraw/zinc/53/73/97/608537397.db2.gz AREGCLIFVSPHKL-UHFFFAOYSA-N -1 3 359.846 3.473 20 30 FGEDHM CSc1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000826230025 608537398 /nfs/dbraw/zinc/53/73/98/608537398.db2.gz AREGCLIFVSPHKL-UHFFFAOYSA-N -1 3 359.846 3.473 20 30 FGEDHM Fc1ccc(C(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C2CC2)cc1 ZINC000826373654 608541711 /nfs/dbraw/zinc/54/17/11/608541711.db2.gz VJBHJCNPKXRHAI-UHFFFAOYSA-N -1 3 357.780 3.280 20 30 FGEDHM Fc1ccc(C(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C2CC2)cc1 ZINC000826373654 608541713 /nfs/dbraw/zinc/54/17/13/608541713.db2.gz VJBHJCNPKXRHAI-UHFFFAOYSA-N -1 3 357.780 3.280 20 30 FGEDHM CCCCCCC[C@H](C)CNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825271558 609209123 /nfs/dbraw/zinc/20/91/23/609209123.db2.gz KYWZXUCWBFXJKH-WMLDXEAASA-N -1 3 359.474 3.013 20 30 FGEDHM CCCCCCC[C@H](C)CNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825271558 609209124 /nfs/dbraw/zinc/20/91/24/609209124.db2.gz KYWZXUCWBFXJKH-WMLDXEAASA-N -1 3 359.474 3.013 20 30 FGEDHM CCOc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000825637884 609273519 /nfs/dbraw/zinc/27/35/19/609273519.db2.gz AIPLKTNWDPKYBY-YWEYNIOJSA-N -1 3 368.368 3.309 20 30 FGEDHM CCOc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000825637884 609273521 /nfs/dbraw/zinc/27/35/21/609273521.db2.gz AIPLKTNWDPKYBY-YWEYNIOJSA-N -1 3 368.368 3.309 20 30 FGEDHM Cn1cc(C=CC(=O)c2cccs2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360098 609308461 /nfs/dbraw/zinc/30/84/61/609308461.db2.gz XNJUXHNVDHWEDM-CMDGGOBGSA-N -1 3 362.418 3.225 20 30 FGEDHM Cn1cc(C=CC(=O)c2cccs2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360098 609308462 /nfs/dbraw/zinc/30/84/62/609308462.db2.gz XNJUXHNVDHWEDM-CMDGGOBGSA-N -1 3 362.418 3.225 20 30 FGEDHM N#Cc1ccc(OCc2ccc(-c3nnn[n-]3)cc2Br)cc1F ZINC000826386144 609311730 /nfs/dbraw/zinc/31/17/30/609311730.db2.gz QVJPSEHTFFALSS-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM N#Cc1ccc(OCc2ccc(-c3nn[n-]n3)cc2Br)cc1F ZINC000826386144 609311732 /nfs/dbraw/zinc/31/17/32/609311732.db2.gz QVJPSEHTFFALSS-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM C=C(C)CN(C)C(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000823873402 609346061 /nfs/dbraw/zinc/34/60/61/609346061.db2.gz LPLKPKFQGRMYBY-UHFFFAOYSA-N -1 3 363.421 3.094 20 30 FGEDHM C=C(C)CN(C)C(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000823873402 609346062 /nfs/dbraw/zinc/34/60/62/609346062.db2.gz LPLKPKFQGRMYBY-UHFFFAOYSA-N -1 3 363.421 3.094 20 30 FGEDHM C[C@H](Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1)c1cccc(C#N)c1 ZINC000824662310 609350945 /nfs/dbraw/zinc/35/09/45/609350945.db2.gz 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ZINC000727265752 722442852 /nfs/dbraw/zinc/44/28/52/722442852.db2.gz WZBNKNYJYXYMOB-ORPVNXHJSA-N -1 3 352.843 3.134 20 30 FGEDHM Cc1ncc(CO)c(/C=N\CCCc2cccc(Br)c2)c1[O-] ZINC000731156068 722473633 /nfs/dbraw/zinc/47/36/33/722473633.db2.gz ZOBCIYNZMJKPCC-GRSHGNNSSA-N -1 3 363.255 3.402 20 30 FGEDHM C=CCn1c(C)cc(C(=O)CSc2ccccc2-c2nnn[n-]2)c1C ZINC000735443136 722516341 /nfs/dbraw/zinc/51/63/41/722516341.db2.gz REUXLGRAVBENCN-UHFFFAOYSA-N -1 3 353.451 3.446 20 30 FGEDHM C=CCn1c(C)cc(C(=O)CSc2ccccc2-c2nn[n-]n2)c1C ZINC000735443136 722516342 /nfs/dbraw/zinc/51/63/42/722516342.db2.gz REUXLGRAVBENCN-UHFFFAOYSA-N -1 3 353.451 3.446 20 30 FGEDHM O=C1Nc2cccc(Br)c2C1=N[N-]c1c(F)cccc1F ZINC000735616081 722517757 /nfs/dbraw/zinc/51/77/57/722517757.db2.gz WAGOEXMNFVZVDH-UHFFFAOYSA-N -1 3 352.138 3.496 20 30 FGEDHM CCO[C@H]1CC(=N[N-]S(=O)(=O)CCc2ccccc2)C12CCCCC2 ZINC000743448212 722567570 /nfs/dbraw/zinc/56/75/70/722567570.db2.gz FDXKPZHAXYKYNB-SFHVURJKSA-N -1 3 364.511 3.264 20 30 FGEDHM 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Cc1nsc([N-]C(=O)c2nn(C(C)(C)C)cc2Br)c1C#N ZINC000598831246 507626542 /nfs/dbraw/zinc/62/65/42/507626542.db2.gz JKKRBUUTHIRTRA-UHFFFAOYSA-N -1 3 368.260 3.290 20 30 FGEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000592382256 507630276 /nfs/dbraw/zinc/63/02/76/507630276.db2.gz KJQHTTPZRHBHRN-NSHDSACASA-N -1 3 370.780 3.455 20 30 FGEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3cc(C(C)(C)C)on3)sc2C1 ZINC000598888638 507665433 /nfs/dbraw/zinc/66/54/33/507665433.db2.gz NSYIYBAZXXTJFK-UHFFFAOYSA-N -1 3 372.450 3.062 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2COc3c2cccc3Cl)c(Cl)c1 ZINC000611539806 507728087 /nfs/dbraw/zinc/72/80/87/507728087.db2.gz UQMSQQQMUVONKB-ZDUSSCGKSA-N -1 3 369.229 3.277 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(CC#N)c1ccc(Cl)cc1 ZINC000592650280 507748795 /nfs/dbraw/zinc/74/87/95/507748795.db2.gz KARARNOANKOBMY-UHFFFAOYSA-N -1 3 368.824 3.419 20 30 FGEDHM C=CCOc1cccnc1C(=O)Nc1cc(Cl)cc(C(=O)OC)c1[O-] ZINC000588097117 507761269 /nfs/dbraw/zinc/76/12/69/507761269.db2.gz XZFVSWOGYUPRIM-UHFFFAOYSA-N -1 3 362.769 3.044 20 30 FGEDHM CC[C@@H](C#N)Oc1cccc(CNc2nc(C)cc(C)c2-c2nnn[n-]2)c1 ZINC000736308823 598871349 /nfs/dbraw/zinc/87/13/49/598871349.db2.gz IMELOGCXJZMCJB-HNNXBMFYSA-N -1 3 363.425 3.172 20 30 FGEDHM CC[C@@H](C#N)Oc1cccc(CNc2nc(C)cc(C)c2-c2nn[n-]n2)c1 ZINC000736308823 598871351 /nfs/dbraw/zinc/87/13/51/598871351.db2.gz IMELOGCXJZMCJB-HNNXBMFYSA-N -1 3 363.425 3.172 20 30 FGEDHM Clc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c2ncccc2c1 ZINC000822568700 607252660 /nfs/dbraw/zinc/25/26/60/607252660.db2.gz WSQAGRSQJSGTBX-UHFFFAOYSA-N -1 3 363.812 3.192 20 30 FGEDHM Clc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c2ncccc2c1 ZINC000822568700 607252661 /nfs/dbraw/zinc/25/26/61/607252661.db2.gz WSQAGRSQJSGTBX-UHFFFAOYSA-N -1 3 363.812 3.192 20 30 FGEDHM Cc1cc2occ(CC(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c2cc1C ZINC000737285287 598918605 /nfs/dbraw/zinc/91/86/05/598918605.db2.gz QDMOAPYSOBASOJ-UHFFFAOYSA-N -1 3 372.388 3.283 20 30 FGEDHM Cc1cc2occ(CC(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c2cc1C ZINC000737285287 598918606 /nfs/dbraw/zinc/91/86/06/598918606.db2.gz QDMOAPYSOBASOJ-UHFFFAOYSA-N -1 3 372.388 3.283 20 30 FGEDHM COc1ccc([C@@H](C)C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821777482 607253806 /nfs/dbraw/zinc/25/38/06/607253806.db2.gz GHUZRKIQICOXPJ-ZDUSSCGKSA-N -1 3 350.426 3.145 20 30 FGEDHM COc1ccc([C@@H](C)C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821777482 607253807 /nfs/dbraw/zinc/25/38/07/607253807.db2.gz GHUZRKIQICOXPJ-ZDUSSCGKSA-N -1 3 350.426 3.145 20 30 FGEDHM Cc1cc(C)c2ncc(C#N)c(NCc3cc(-c4nnn[n-]4)ccc3F)c2c1 ZINC000822196581 599069078 /nfs/dbraw/zinc/06/90/78/599069078.db2.gz OKUQNRXOAIECBE-UHFFFAOYSA-N -1 3 373.395 3.077 20 30 FGEDHM Cc1cc(C)c2ncc(C#N)c(NCc3cc(-c4nn[n-]n4)ccc3F)c2c1 ZINC000822196581 599069081 /nfs/dbraw/zinc/06/90/81/599069081.db2.gz OKUQNRXOAIECBE-UHFFFAOYSA-N -1 3 373.395 3.077 20 30 FGEDHM COc1ccc(C=C2COc3ccc(C)c(C)c3C2=O)cc1-c1nnn[n-]1 ZINC000737084451 599156738 /nfs/dbraw/zinc/15/67/38/599156738.db2.gz UKQAFCWQKAIAQC-RIYZIHGNSA-N -1 3 362.389 3.151 20 30 FGEDHM COc1ccc(C=C2COc3ccc(C)c(C)c3C2=O)cc1-c1nn[n-]n1 ZINC000737084451 599156741 /nfs/dbraw/zinc/15/67/41/599156741.db2.gz UKQAFCWQKAIAQC-RIYZIHGNSA-N -1 3 362.389 3.151 20 30 FGEDHM C[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1cccc(F)c1 ZINC000735978452 599193973 /nfs/dbraw/zinc/19/39/73/599193973.db2.gz WPEYKFOYXQHOAE-NSHDSACASA-N -1 3 350.357 3.010 20 30 FGEDHM C[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1cccc(F)c1 ZINC000735978452 599193974 /nfs/dbraw/zinc/19/39/74/599193974.db2.gz WPEYKFOYXQHOAE-NSHDSACASA-N -1 3 350.357 3.010 20 30 FGEDHM C=CC[C@H](C)NC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1 ZINC000735409359 599203459 /nfs/dbraw/zinc/20/34/59/599203459.db2.gz CZICUOAOYOETHZ-AWEZNQCLSA-N -1 3 363.421 3.140 20 30 FGEDHM C=CC[C@H](C)NC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1 ZINC000735409359 599203461 /nfs/dbraw/zinc/20/34/61/599203461.db2.gz CZICUOAOYOETHZ-AWEZNQCLSA-N -1 3 363.421 3.140 20 30 FGEDHM C=CCN(Cc1cccs1)C(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819745456 607284451 /nfs/dbraw/zinc/28/44/51/607284451.db2.gz DMRUSHNIZBLSLY-UHFFFAOYSA-N -1 3 354.439 3.457 20 30 FGEDHM C=CCN(Cc1cccs1)C(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819745456 607284452 /nfs/dbraw/zinc/28/44/52/607284452.db2.gz DMRUSHNIZBLSLY-UHFFFAOYSA-N -1 3 354.439 3.457 20 30 FGEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ncc(C#N)cc1Cl ZINC000821110020 607305529 /nfs/dbraw/zinc/30/55/29/607305529.db2.gz VSNVTGFYZGEYAP-UHFFFAOYSA-N -1 3 353.817 3.203 20 30 FGEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ncc(C#N)cc1Cl ZINC000821110020 607305530 /nfs/dbraw/zinc/30/55/30/607305530.db2.gz VSNVTGFYZGEYAP-UHFFFAOYSA-N -1 3 353.817 3.203 20 30 FGEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1scnc1C ZINC000735451023 598313674 /nfs/dbraw/zinc/31/36/74/598313674.db2.gz MVRXGDLCTSPNNP-UHFFFAOYSA-N -1 3 367.360 3.487 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1scnc1C ZINC000735451023 598313676 /nfs/dbraw/zinc/31/36/76/598313676.db2.gz MVRXGDLCTSPNNP-UHFFFAOYSA-N -1 3 367.360 3.487 20 30 FGEDHM CN(C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(C#N)c1 ZINC000736740552 598322613 /nfs/dbraw/zinc/32/26/13/598322613.db2.gz BFDSYKXWESPLDX-UHFFFAOYSA-N -1 3 369.841 3.225 20 30 FGEDHM CN(C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(C#N)c1 ZINC000736740552 598322615 /nfs/dbraw/zinc/32/26/15/598322615.db2.gz BFDSYKXWESPLDX-UHFFFAOYSA-N -1 3 369.841 3.225 20 30 FGEDHM N#CCCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737686884 598364141 /nfs/dbraw/zinc/36/41/41/598364141.db2.gz FGVFUYTVEWCWKC-WDZFZDKYSA-N -1 3 359.389 3.445 20 30 FGEDHM N#CCCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737686884 598364144 /nfs/dbraw/zinc/36/41/44/598364144.db2.gz FGVFUYTVEWCWKC-WDZFZDKYSA-N -1 3 359.389 3.445 20 30 FGEDHM N#CCc1ccc(NC(=O)N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000737698425 598475993 /nfs/dbraw/zinc/47/59/93/598475993.db2.gz YFWDXGYROPWQRR-UHFFFAOYSA-N -1 3 373.420 3.129 20 30 FGEDHM N#CCc1ccc(NC(=O)N(Cc2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000737698425 598475995 /nfs/dbraw/zinc/47/59/95/598475995.db2.gz YFWDXGYROPWQRR-UHFFFAOYSA-N -1 3 373.420 3.129 20 30 FGEDHM CCCCNN=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000736461034 598546154 /nfs/dbraw/zinc/54/61/54/598546154.db2.gz LYZMDOQSLNPHHK-UHFFFAOYSA-N -1 3 350.426 3.169 20 30 FGEDHM CCCCNN=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000736461034 598546155 /nfs/dbraw/zinc/54/61/55/598546155.db2.gz LYZMDOQSLNPHHK-UHFFFAOYSA-N -1 3 350.426 3.169 20 30 FGEDHM Cc1cc(Br)ccc1NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737230492 598641825 /nfs/dbraw/zinc/64/18/25/598641825.db2.gz GNUNPEDTIXKVHK-UHFFFAOYSA-N -1 3 357.215 3.384 20 30 FGEDHM Cc1cc(Br)ccc1NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737230492 598641827 /nfs/dbraw/zinc/64/18/27/598641827.db2.gz GNUNPEDTIXKVHK-UHFFFAOYSA-N -1 3 357.215 3.384 20 30 FGEDHM C=CCN(CC1CCCCC1)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735416981 598752558 /nfs/dbraw/zinc/75/25/58/598752558.db2.gz VTINLDKAAUZJTB-SEYXRHQNSA-N -1 3 351.454 3.475 20 30 FGEDHM C=CCN(CC1CCCCC1)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735416981 598752560 /nfs/dbraw/zinc/75/25/60/598752560.db2.gz VTINLDKAAUZJTB-SEYXRHQNSA-N -1 3 351.454 3.475 20 30 FGEDHM CC(C)n1cc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cn1 ZINC000735960751 598761387 /nfs/dbraw/zinc/76/13/87/598761387.db2.gz KVFPRXQCFDEWJO-UHFFFAOYSA-N -1 3 364.335 3.109 20 30 FGEDHM CC(C)n1cc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cn1 ZINC000735960751 598761388 /nfs/dbraw/zinc/76/13/88/598761388.db2.gz KVFPRXQCFDEWJO-UHFFFAOYSA-N -1 3 364.335 3.109 20 30 FGEDHM N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)cn1 ZINC000737730627 598804904 /nfs/dbraw/zinc/80/49/04/598804904.db2.gz OEPVUKHSOZUXBF-UHFFFAOYSA-N -1 3 367.372 3.053 20 30 FGEDHM N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)cn1 ZINC000737730627 598804906 /nfs/dbraw/zinc/80/49/06/598804906.db2.gz OEPVUKHSOZUXBF-UHFFFAOYSA-N -1 3 367.372 3.053 20 30 FGEDHM COc1ccc(-c2nnn[n-]2)cc1CSc1nc(C)cc(C)c1C#N ZINC000821752229 607376571 /nfs/dbraw/zinc/37/65/71/607376571.db2.gz JROGRJLPAQHZMI-UHFFFAOYSA-N -1 3 352.423 3.051 20 30 FGEDHM COc1ccc(-c2nn[n-]n2)cc1CSc1nc(C)cc(C)c1C#N ZINC000821752229 607376573 /nfs/dbraw/zinc/37/65/73/607376573.db2.gz JROGRJLPAQHZMI-UHFFFAOYSA-N -1 3 352.423 3.051 20 30 FGEDHM CC(C)Oc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000735906685 599459827 /nfs/dbraw/zinc/45/98/27/599459827.db2.gz TXMKYKPCVJHTND-RMKNXTFCSA-N -1 3 374.404 3.198 20 30 FGEDHM CC(C)Oc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000735906685 599459829 /nfs/dbraw/zinc/45/98/29/599459829.db2.gz TXMKYKPCVJHTND-RMKNXTFCSA-N -1 3 374.404 3.198 20 30 FGEDHM CCCOc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000736490411 599460487 /nfs/dbraw/zinc/46/04/87/599460487.db2.gz LGLCFZKCQLFJDW-TWGQIWQCSA-N -1 3 374.404 3.199 20 30 FGEDHM CCCOc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000736490411 599460489 /nfs/dbraw/zinc/46/04/89/599460489.db2.gz LGLCFZKCQLFJDW-TWGQIWQCSA-N -1 3 374.404 3.199 20 30 FGEDHM C=CCOc1ccccc1CNc1c(-c2nnn[n-]2)cnc2ccccc21 ZINC000819758626 599549319 /nfs/dbraw/zinc/54/93/19/599549319.db2.gz CDAKGXQMCXAXTA-UHFFFAOYSA-N -1 3 358.405 3.014 20 30 FGEDHM C=CCOc1ccccc1CNc1c(-c2nn[n-]n2)cnc2ccccc21 ZINC000819758626 599549321 /nfs/dbraw/zinc/54/93/21/599549321.db2.gz CDAKGXQMCXAXTA-UHFFFAOYSA-N -1 3 358.405 3.014 20 30 FGEDHM CCC[C@H](C#N)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736414949 599567368 /nfs/dbraw/zinc/56/73/68/599567368.db2.gz BIKHSCNLWULBQV-QGZVFWFLSA-N -1 3 361.409 3.032 20 30 FGEDHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820939111 599632029 /nfs/dbraw/zinc/63/20/29/599632029.db2.gz QSNBQKSPTMGBCJ-NUTKFTJISA-N -1 3 368.441 3.051 20 30 FGEDHM CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820939111 599632030 /nfs/dbraw/zinc/63/20/30/599632030.db2.gz QSNBQKSPTMGBCJ-NUTKFTJISA-N -1 3 368.441 3.051 20 30 FGEDHM Cc1c(NC(=O)N[C@H](CCC#N)c2ccccc2)cccc1-c1nnn[n-]1 ZINC000826241670 607395826 /nfs/dbraw/zinc/39/58/26/607395826.db2.gz LCOFIEQAHZITMC-QGZVFWFLSA-N -1 3 361.409 3.342 20 30 FGEDHM Cc1c(NC(=O)N[C@H](CCC#N)c2ccccc2)cccc1-c1nn[n-]n1 ZINC000826241670 607395827 /nfs/dbraw/zinc/39/58/27/607395827.db2.gz LCOFIEQAHZITMC-QGZVFWFLSA-N -1 3 361.409 3.342 20 30 FGEDHM N#Cc1ccc([C@@H](NCc2cccc(NC(=O)C3CCC3)c2)C(=O)[O-])cc1 ZINC000739104941 600592556 /nfs/dbraw/zinc/59/25/56/600592556.db2.gz DVYPGSWYXHPQNN-LJQANCHMSA-N -1 3 363.417 3.212 20 30 FGEDHM COc1cc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC(C)C ZINC000737885747 600593518 /nfs/dbraw/zinc/59/35/18/600593518.db2.gz HDPYQCKFQPSOMD-LJQANCHMSA-N -1 3 354.406 3.270 20 30 FGEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)CC2 ZINC000821849848 607459507 /nfs/dbraw/zinc/45/95/07/607459507.db2.gz RWOFCPNFZUGTSF-JYRVWZFOSA-N -1 3 350.353 3.227 20 30 FGEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)CC2 ZINC000821849848 607459508 /nfs/dbraw/zinc/45/95/08/607459508.db2.gz RWOFCPNFZUGTSF-JYRVWZFOSA-N -1 3 350.353 3.227 20 30 FGEDHM COc1ccc2[nH]cc(C(=O)C=Cc3ccc(-c4nnn[n-]4)cc3F)c2c1 ZINC000821845577 607459724 /nfs/dbraw/zinc/45/97/24/607459724.db2.gz HXDWUAFDUFZJNH-QPJJXVBHSA-N -1 3 363.352 3.392 20 30 FGEDHM COc1ccc2[nH]cc(C(=O)C=Cc3ccc(-c4nn[n-]n4)cc3F)c2c1 ZINC000821845577 607459726 /nfs/dbraw/zinc/45/97/26/607459726.db2.gz HXDWUAFDUFZJNH-QPJJXVBHSA-N -1 3 363.352 3.392 20 30 FGEDHM Cc1ccc([N+](=O)[O-])cc1C(=O)C=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822270945 607459883 /nfs/dbraw/zinc/45/98/83/607459883.db2.gz FFJXBALFKNNRHI-ALCCZGGFSA-N -1 3 353.313 3.119 20 30 FGEDHM Cc1ccc([N+](=O)[O-])cc1C(=O)C=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822270945 607459884 /nfs/dbraw/zinc/45/98/84/607459884.db2.gz FFJXBALFKNNRHI-ALCCZGGFSA-N -1 3 353.313 3.119 20 30 FGEDHM C=CCN(Cc1ccccc1F)Cc1cc(-c2nn[n-]n2)ccc1OC ZINC000823919745 607516583 /nfs/dbraw/zinc/51/65/83/607516583.db2.gz OZVKKDGEHIJVIX-UHFFFAOYSA-N -1 3 353.401 3.203 20 30 FGEDHM CCC(=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(OC)cc1 ZINC000825029707 607587550 /nfs/dbraw/zinc/58/75/50/607587550.db2.gz YLSGZJXYKFZCNQ-ACCUITESSA-N -1 3 374.404 3.179 20 30 FGEDHM CCC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(OC)cc1 ZINC000825029707 607587552 /nfs/dbraw/zinc/58/75/52/607587552.db2.gz YLSGZJXYKFZCNQ-ACCUITESSA-N -1 3 374.404 3.179 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000826249543 607668610 /nfs/dbraw/zinc/66/86/10/607668610.db2.gz HYEOJLHQYCKYJM-UHFFFAOYSA-N -1 3 362.393 3.086 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000826249543 607668611 /nfs/dbraw/zinc/66/86/11/607668611.db2.gz HYEOJLHQYCKYJM-UHFFFAOYSA-N -1 3 362.393 3.086 20 30 FGEDHM CC(C)[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000736360568 604373681 /nfs/dbraw/zinc/37/36/81/604373681.db2.gz PZTIQWGZBWMIGL-SKDRFNHKSA-N -1 3 351.815 3.418 20 30 FGEDHM C=CCc1cc(OC)cc(CN2CCc3ccc(C(=O)[O-])cc3C2)c1O ZINC000833379975 604795887 /nfs/dbraw/zinc/79/58/87/604795887.db2.gz SBAIHSWAAXMRSN-UHFFFAOYSA-N -1 3 353.418 3.386 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cnc(OC)c(Cl)c1 ZINC000823915343 607738387 /nfs/dbraw/zinc/73/83/87/607738387.db2.gz VNSPKVLEFLCQLF-UHFFFAOYSA-N -1 3 370.844 3.112 20 30 FGEDHM COc1ccc(C=C2CCc3cc(F)ccc3C2=O)cc1-c1nnn[n-]1 ZINC000821787394 606154327 /nfs/dbraw/zinc/15/43/27/606154327.db2.gz SIBDTXLAQWHKMJ-JYRVWZFOSA-N -1 3 350.353 3.227 20 30 FGEDHM COc1ccc(C=C2CCc3cc(F)ccc3C2=O)cc1-c1nn[n-]n1 ZINC000821787394 606154329 /nfs/dbraw/zinc/15/43/29/606154329.db2.gz SIBDTXLAQWHKMJ-JYRVWZFOSA-N -1 3 350.353 3.227 20 30 FGEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(F)(F)F)cc1C#N ZINC000821610025 606174386 /nfs/dbraw/zinc/17/43/86/606174386.db2.gz XCWWWPYRPVLZFZ-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1C#N ZINC000821610025 606174387 /nfs/dbraw/zinc/17/43/87/606174387.db2.gz XCWWWPYRPVLZFZ-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM N#Cc1c[nH]c(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)c1 ZINC000822818796 606263697 /nfs/dbraw/zinc/26/36/97/606263697.db2.gz FUMSKHLTFPNBQM-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM C=CCn1c(C)cc(C(=O)CSc2cccc(-c3nnn[n-]3)c2)c1C ZINC000819759019 606328304 /nfs/dbraw/zinc/32/83/04/606328304.db2.gz LECJLLVIQWMXGE-UHFFFAOYSA-N -1 3 353.451 3.446 20 30 FGEDHM C=CCn1c(C)cc(C(=O)CSc2cccc(-c3nn[n-]n3)c2)c1C ZINC000819759019 606328306 /nfs/dbraw/zinc/32/83/06/606328306.db2.gz LECJLLVIQWMXGE-UHFFFAOYSA-N -1 3 353.451 3.446 20 30 FGEDHM C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)C1CC1 ZINC000819855787 606394410 /nfs/dbraw/zinc/39/44/10/606394410.db2.gz FOVYLJVMVOIXMD-QMTHXVAHSA-N -1 3 364.434 3.213 20 30 FGEDHM C[C@@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)C1CC1 ZINC000819855787 606394412 /nfs/dbraw/zinc/39/44/12/606394412.db2.gz FOVYLJVMVOIXMD-QMTHXVAHSA-N -1 3 364.434 3.213 20 30 FGEDHM CC(C)CN(C(=O)c1ccc(C#N)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820081737 606504855 /nfs/dbraw/zinc/50/48/55/606504855.db2.gz TUEMCIVHDRWMBB-UHFFFAOYSA-N -1 3 352.423 3.103 20 30 FGEDHM CC(C)CN(C(=O)c1ccc(C#N)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820081737 606504856 /nfs/dbraw/zinc/50/48/56/606504856.db2.gz TUEMCIVHDRWMBB-UHFFFAOYSA-N -1 3 352.423 3.103 20 30 FGEDHM C#CCOc1ccccc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000819709844 606594370 /nfs/dbraw/zinc/59/43/70/606594370.db2.gz RITVMNZLIUPCFQ-UHFFFAOYSA-N -1 3 372.331 3.059 20 30 FGEDHM C#CCOc1ccccc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000819709844 606594371 /nfs/dbraw/zinc/59/43/71/606594371.db2.gz RITVMNZLIUPCFQ-UHFFFAOYSA-N -1 3 372.331 3.059 20 30 FGEDHM N#Cc1cccc(NC(=O)CSc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000822836929 606630970 /nfs/dbraw/zinc/63/09/70/606630970.db2.gz AYEHYKDLCFJBTE-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1cccc(NC(=O)CSc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000822836929 606630972 /nfs/dbraw/zinc/63/09/72/606630972.db2.gz AYEHYKDLCFJBTE-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1ccc(OCCCOc2cc(Cl)ccc2-c2nnn[n-]2)cc1 ZINC000822833889 606781313 /nfs/dbraw/zinc/78/13/13/606781313.db2.gz ZHTMWIBWWBSFAK-UHFFFAOYSA-N -1 3 355.785 3.240 20 30 FGEDHM N#Cc1ccc(OCCCOc2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC000822833889 606781315 /nfs/dbraw/zinc/78/13/15/606781315.db2.gz ZHTMWIBWWBSFAK-UHFFFAOYSA-N -1 3 355.785 3.240 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822801754 606980069 /nfs/dbraw/zinc/98/00/69/606980069.db2.gz NWNLCKOSDLTKSS-PKOBYXMFSA-N -1 3 362.412 3.278 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822801754 606980070 /nfs/dbraw/zinc/98/00/70/606980070.db2.gz NWNLCKOSDLTKSS-PKOBYXMFSA-N -1 3 362.412 3.278 20 30 FGEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1nc2ccc(Cl)cc2n1C ZINC000819781592 607146372 /nfs/dbraw/zinc/14/63/72/607146372.db2.gz AMGCFXAEGDEXCF-UHFFFAOYSA-N -1 3 366.816 3.243 20 30 FGEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1nc2ccc(Cl)cc2n1C ZINC000819781592 607146374 /nfs/dbraw/zinc/14/63/74/607146374.db2.gz AMGCFXAEGDEXCF-UHFFFAOYSA-N -1 3 366.816 3.243 20 30 FGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1cnn(Cc2ccccc2)c1 ZINC000822927822 607151357 /nfs/dbraw/zinc/15/13/57/607151357.db2.gz BFARDLVEGHURTO-VURMDHGXSA-N -1 3 362.418 3.069 20 30 FGEDHM Cc1cc(NN=Cc2ccccc2-c2nnn[n-]2)ccc1Br ZINC000826271266 607886838 /nfs/dbraw/zinc/88/68/38/607886838.db2.gz KJIFWVSCMHVEMK-UHFFFAOYSA-N -1 3 357.215 3.384 20 30 FGEDHM Cc1cc(NN=Cc2ccccc2-c2nn[n-]n2)ccc1Br ZINC000826271266 607886839 /nfs/dbraw/zinc/88/68/39/607886839.db2.gz KJIFWVSCMHVEMK-UHFFFAOYSA-N -1 3 357.215 3.384 20 30 FGEDHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(OCC#N)cc1 ZINC000825352302 607975020 /nfs/dbraw/zinc/97/50/20/607975020.db2.gz LHTJJJKVVRDQBF-UHFFFAOYSA-N -1 3 359.393 3.196 20 30 FGEDHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(OCC#N)cc1 ZINC000825352302 607975021 /nfs/dbraw/zinc/97/50/21/607975021.db2.gz LHTJJJKVVRDQBF-UHFFFAOYSA-N -1 3 359.393 3.196 20 30 FGEDHM COc1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)s2)cc(Cl)c1O ZINC000826179015 608092636 /nfs/dbraw/zinc/09/26/36/608092636.db2.gz VBSINFOJWZBHPT-NSCUHMNNSA-N -1 3 362.798 3.192 20 30 FGEDHM C=CCN(CC=C)C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823903466 608355716 /nfs/dbraw/zinc/35/57/16/608355716.db2.gz BCAIGRVQYSXUDV-UHFFFAOYSA-N -1 3 374.448 3.417 20 30 FGEDHM C=CCN(CC=C)C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823903466 608355718 /nfs/dbraw/zinc/35/57/18/608355718.db2.gz BCAIGRVQYSXUDV-UHFFFAOYSA-N -1 3 374.448 3.417 20 30 FGEDHM CC(C)C[C@@H](C#N)NC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000824228284 608497445 /nfs/dbraw/zinc/49/74/45/608497445.db2.gz HFCDNNFGYWIFSD-AWEZNQCLSA-N -1 3 360.421 3.202 20 30 FGEDHM CC(C)C[C@@H](C#N)NC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000824228284 608497446 /nfs/dbraw/zinc/49/74/46/608497446.db2.gz HFCDNNFGYWIFSD-AWEZNQCLSA-N -1 3 360.421 3.202 20 30 FGEDHM Cc1nn(C(C)C)c(C)c1C(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000823953518 608539905 /nfs/dbraw/zinc/53/99/05/608539905.db2.gz DTTRZAGCBUWYAA-UHFFFAOYSA-N -1 3 373.852 3.145 20 30 FGEDHM Cc1nn(C(C)C)c(C)c1C(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000823953518 608539907 /nfs/dbraw/zinc/53/99/07/608539907.db2.gz DTTRZAGCBUWYAA-UHFFFAOYSA-N -1 3 373.852 3.145 20 30 FGEDHM O=C(/C=C/c1c(Cl)nc2sccn12)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826399708 609134339 /nfs/dbraw/zinc/13/43/39/609134339.db2.gz CSPWIVYWTCMNOU-ONEGZZNKSA-N -1 3 374.788 3.265 20 30 FGEDHM CC(N=Nc1ncccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)cc1F ZINC000823962596 609275690 /nfs/dbraw/zinc/27/56/90/609275690.db2.gz LWPFYWHOIGVOKE-UHFFFAOYSA-N -1 3 365.294 3.256 20 30 FGEDHM CC(N=Nc1ncccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)cc1F ZINC000823962596 609275692 /nfs/dbraw/zinc/27/56/92/609275692.db2.gz LWPFYWHOIGVOKE-UHFFFAOYSA-N -1 3 365.294 3.256 20 30 FGEDHM CCc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000825704907 609309007 /nfs/dbraw/zinc/30/90/07/609309007.db2.gz PTKHNXLYXGGHDC-CSKARUKUSA-N -1 3 374.404 3.319 20 30 FGEDHM CCc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000825704907 609309008 /nfs/dbraw/zinc/30/90/08/609309008.db2.gz PTKHNXLYXGGHDC-CSKARUKUSA-N -1 3 374.404 3.319 20 30 FGEDHM C#CCCCCNC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000823841904 609328086 /nfs/dbraw/zinc/32/80/86/609328086.db2.gz UVRYGCOAIOCYOJ-UHFFFAOYSA-N -1 3 361.405 3.192 20 30 FGEDHM C#CCCCCNC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000823841904 609328087 /nfs/dbraw/zinc/32/80/87/609328087.db2.gz UVRYGCOAIOCYOJ-UHFFFAOYSA-N -1 3 361.405 3.192 20 30 FGEDHM C[C@@]1(C#N)CCCN(c2c(-c3nnn[n-]3)cnc3c(F)ccc(Cl)c32)C1 ZINC000824776444 609599926 /nfs/dbraw/zinc/59/99/26/609599926.db2.gz AVAIHOYQYNFGON-KRWDZBQOSA-N -1 3 371.807 3.337 20 30 FGEDHM C[C@@]1(C#N)CCCN(c2c(-c3nn[n-]n3)cnc3c(F)ccc(Cl)c32)C1 ZINC000824776444 609599927 /nfs/dbraw/zinc/59/99/27/609599927.db2.gz AVAIHOYQYNFGON-KRWDZBQOSA-N -1 3 371.807 3.337 20 30 FGEDHM CC(C)NC(=O)CSc1ccccc1C([O-])=C(C#N)c1ccccn1 ZINC000049456881 695894853 /nfs/dbraw/zinc/89/48/53/695894853.db2.gz HKLUROJNNQBOCC-HNNXBMFYSA-N -1 3 353.447 3.188 20 30 FGEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000080757453 700322494 /nfs/dbraw/zinc/32/24/94/700322494.db2.gz DGSQRAHKYFOFTF-MRVPVSSYSA-N -1 3 352.239 3.023 20 30 FGEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000113144755 700568156 /nfs/dbraw/zinc/56/81/56/700568156.db2.gz KYHLVJXLAHGYMX-NSHDSACASA-N -1 3 364.188 3.358 20 30 FGEDHM O=C1C[C@@H](/N=C/c2cc(Cl)ccc2[O-])CN1CCOc1ccccc1 ZINC000125160536 700731240 /nfs/dbraw/zinc/73/12/40/700731240.db2.gz IJJIFZGXRWPKIE-SVZNOHIVSA-N -1 3 358.825 3.144 20 30 FGEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000310736106 713800708 /nfs/dbraw/zinc/80/07/08/713800708.db2.gz YYAQSEJRQXXHHC-VIFPVBQESA-N -1 3 350.665 3.183 20 30 FGEDHM CCOc1cc(C=NN[C@@H]2CCOC(C)(C)C2)cc(Br)c1[O-] ZINC000780251330 724455717 /nfs/dbraw/zinc/45/57/17/724455717.db2.gz NWPQXPUOCWVVLD-GFCCVEGCSA-N -1 3 371.275 3.435 20 30 FGEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1cc(F)c(C(F)(F)F)cc1F ZINC000804567420 724529875 /nfs/dbraw/zinc/52/98/75/724529875.db2.gz MWCJOJBILVUQGZ-UHFFFAOYSA-N -1 3 374.191 3.051 20 30 FGEDHM COc1ccc(N[C@H](C)c2ccc(C#N)cc2F)cc1[N-]S(C)(=O)=O ZINC000781420286 724562966 /nfs/dbraw/zinc/56/29/66/724562966.db2.gz BNKZEZSNKKQBFG-LLVKDONJSA-N -1 3 363.414 3.251 20 30 FGEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1cc2c(s1)CCOC2 ZINC000728767175 722454258 /nfs/dbraw/zinc/45/42/58/722454258.db2.gz WWBAYIXFFCSCNK-NSHDSACASA-N -1 3 360.822 3.435 20 30 FGEDHM C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1cccc(Br)c1[O-] ZINC000730363518 722467789 /nfs/dbraw/zinc/46/77/89/722467789.db2.gz AIFNCDSFHFJKJL-LLVKDONJSA-N -1 3 370.243 3.125 20 30 FGEDHM C[C@@]1(c2cccc(C(F)(F)F)c2)[N-]C(=O)N(CC(F)(F)C(F)F)C1=O ZINC000736435148 722523289 /nfs/dbraw/zinc/52/32/89/722523289.db2.gz KFWAVNDEBCDGJR-LBPRGKRZSA-N -1 3 372.240 3.373 20 30 FGEDHM CC[C@]1(c2ccccc2)NC(=O)N(N=Cc2cc(Cl)ccc2[O-])C1=O ZINC000744774226 722580261 /nfs/dbraw/zinc/58/02/61/722580261.db2.gz ZDNWVYCINZUJKV-GOSISDBHSA-N -1 3 357.797 3.237 20 30 FGEDHM COC(=O)c1cccc(N=Cc2ccc(O)c([O-])c2O)c1Br ZINC000754823007 722946360 /nfs/dbraw/zinc/94/63/60/722946360.db2.gz SRNKGMHJQOHOKH-UHFFFAOYSA-N -1 3 366.167 3.103 20 30 FGEDHM O=[N+]([O-])c1ccc(NN=Cc2cc(O)c([O-])c(Br)c2)cc1 ZINC000757562261 722977068 /nfs/dbraw/zinc/97/70/68/722977068.db2.gz XOGJTXLQODNTDQ-UHFFFAOYSA-N -1 3 352.144 3.215 20 30 FGEDHM CC(=NNc1ccccc1S(=O)(=O)N(C)C)c1cc(Cl)ccc1[O-] ZINC000793192957 723409844 /nfs/dbraw/zinc/40/98/44/723409844.db2.gz ZIVOCPOEKGRCOR-UHFFFAOYSA-N -1 3 367.858 3.132 20 30 FGEDHM Cc1ncc(CO)c(/C=N/Cc2cc(F)c(F)cc2Br)c1[O-] ZINC000794677615 723540331 /nfs/dbraw/zinc/54/03/31/723540331.db2.gz WLARZDXXUAILGX-KPSZGOFPSA-N -1 3 371.181 3.248 20 30 FGEDHM CC(=NNC(=S)Nc1ccccn1)c1cc(Br)ccc1[O-] ZINC000767806595 723635109 /nfs/dbraw/zinc/63/51/09/723635109.db2.gz OVXULASOMUUVTB-UHFFFAOYSA-N -1 3 365.256 3.260 20 30 FGEDHM COC(=O)N1CCC[C@H]([C@@H](C)/N=C/c2cc(Br)ccc2[O-])C1 ZINC000773906050 723837652 /nfs/dbraw/zinc/83/76/52/723837652.db2.gz NYGFRAXPPGXGMI-IBFAWRRBSA-N -1 3 369.259 3.441 20 30 FGEDHM Cc1ncc(CO)c(C=Nc2cc(F)cc(Br)c2F)c1[O-] ZINC000775740608 724035590 /nfs/dbraw/zinc/03/55/90/724035590.db2.gz MFYBSPWWHFFOTD-UHFFFAOYSA-N -1 3 357.154 3.379 20 30 FGEDHM C=CCCC[C@H](C)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000776014885 724098036 /nfs/dbraw/zinc/09/80/36/724098036.db2.gz DAKIWDIVMFLGBC-ZDUSSCGKSA-N -1 3 370.490 3.377 20 30 FGEDHM COC(=O)c1c(F)cccc1NN=Cc1cc(Cl)c([O-])c(OC)c1 ZINC000800816640 724231038 /nfs/dbraw/zinc/23/10/38/724231038.db2.gz GJJOBSSDDVIXEK-UHFFFAOYSA-N -1 3 352.749 3.426 20 30 FGEDHM C#C[C@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(C)(C)C ZINC000805148039 725053214 /nfs/dbraw/zinc/05/32/14/725053214.db2.gz RCCAZFWXZOWLDT-JTQLQIEISA-N -1 3 350.303 3.145 20 30 FGEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)c2cccc(Br)c2)c1 ZINC000811188564 725349704 /nfs/dbraw/zinc/34/97/04/725349704.db2.gz OTGLYGUGRQNQOM-UHFFFAOYSA-N -1 3 360.163 3.066 20 30 FGEDHM COc1cccc(O)c1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000812489887 725398237 /nfs/dbraw/zinc/39/82/37/725398237.db2.gz 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C=C(C)COc1cccc(NC(=O)NCc2nc(C(F)(F)F)n[n-]2)c1 ZINC000480639703 502629407 /nfs/dbraw/zinc/62/94/07/502629407.db2.gz VPTZSNJVRKHJPG-UHFFFAOYSA-N -1 3 355.320 3.100 20 30 FGEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@H](c2ccco2)c2ccccc2)c1 ZINC000500812146 502868359 /nfs/dbraw/zinc/86/83/59/502868359.db2.gz WZIGYCRJNHDVFF-IBGZPJMESA-N -1 3 370.405 3.499 20 30 FGEDHM CSc1cccc(F)c1C[N-]S(=O)(=O)c1cccc(C)c1C#N ZINC000509571990 502937912 /nfs/dbraw/zinc/93/79/12/502937912.db2.gz NOJSOWSEUJHPGD-UHFFFAOYSA-N -1 3 350.440 3.206 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccc2ccccc2n1 ZINC000513476692 502948695 /nfs/dbraw/zinc/94/86/95/502948695.db2.gz UJDRZSFKAQFXSA-UHFFFAOYSA-N -1 3 374.444 3.115 20 30 FGEDHM C=CCOc1ccc(C[N-]S(=O)(=O)c2ccc(Br)o2)cc1 ZINC000509616481 502949334 /nfs/dbraw/zinc/94/93/34/502949334.db2.gz IOMOROOSXAMVSL-UHFFFAOYSA-N -1 3 372.240 3.085 20 30 FGEDHM Cc1ccc(-c2nnc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)[n-]2)o1 ZINC000501241985 502965298 /nfs/dbraw/zinc/96/52/98/502965298.db2.gz 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FGEDHM COc1cccc(Cc2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)c1 ZINC000544982270 504319009 /nfs/dbraw/zinc/31/90/09/504319009.db2.gz JOLOEYCQMPPZJF-UHFFFAOYSA-N -1 3 364.405 3.043 20 30 FGEDHM N#CCc1ccc([N-]S(=O)(=O)Cc2cc(-c3ccc(F)cc3)no2)cc1 ZINC000542236372 504416910 /nfs/dbraw/zinc/41/69/10/504416910.db2.gz JDZUWNUKJWIOIL-UHFFFAOYSA-N -1 3 371.393 3.489 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)c(F)c1 ZINC000520325665 504466121 /nfs/dbraw/zinc/46/61/21/504466121.db2.gz JDJOEJZLABXDBL-NNUKFRKNSA-N -1 3 366.364 3.200 20 30 FGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCc1cc2ccccc2s1 ZINC000549914269 504932537 /nfs/dbraw/zinc/93/25/37/504932537.db2.gz GJTIFACCTPISDZ-UHFFFAOYSA-N -1 3 360.435 3.433 20 30 FGEDHM N#C[C@]1([N-]S(=O)(=O)CCc2cccc(Cl)c2)CCc2ccccc2C1 ZINC000556802453 504979289 /nfs/dbraw/zinc/97/92/89/504979289.db2.gz SEWMTKKOQPKFIL-IBGZPJMESA-N -1 3 374.893 3.253 20 30 FGEDHM N#Cc1ccc(C(=O)C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)cc1 ZINC000560059225 504981152 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C[C@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1F ZINC000735976312 598924622 /nfs/dbraw/zinc/92/46/22/598924622.db2.gz LBUGYXXHSKWSTG-LLVKDONJSA-N -1 3 350.357 3.010 20 30 FGEDHM N#CCCCOc1cccc(Nc2ncc(-c3nnn[n-]3)cc2Cl)c1 ZINC000737687414 598939364 /nfs/dbraw/zinc/93/93/64/598939364.db2.gz RRJBUBFCHZQYEI-UHFFFAOYSA-N -1 3 355.789 3.341 20 30 FGEDHM N#CCCCOc1cccc(Nc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000737687414 598939365 /nfs/dbraw/zinc/93/93/65/598939365.db2.gz RRJBUBFCHZQYEI-UHFFFAOYSA-N -1 3 355.789 3.341 20 30 FGEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1Br ZINC000819772720 607253777 /nfs/dbraw/zinc/25/37/77/607253777.db2.gz JYOAGLBHMIVGAN-UHFFFAOYSA-N -1 3 371.242 3.143 20 30 FGEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1Br ZINC000819772720 607253778 /nfs/dbraw/zinc/25/37/78/607253778.db2.gz JYOAGLBHMIVGAN-UHFFFAOYSA-N -1 3 371.242 3.143 20 30 FGEDHM C#CCOC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735380188 599214837 /nfs/dbraw/zinc/21/48/37/599214837.db2.gz DZYKDMXOPSHYMW-UHFFFAOYSA-N -1 3 354.753 3.102 20 30 FGEDHM C#CCOC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735380188 599214838 /nfs/dbraw/zinc/21/48/38/599214838.db2.gz DZYKDMXOPSHYMW-UHFFFAOYSA-N -1 3 354.753 3.102 20 30 FGEDHM CCC(CC)CN(CCC#N)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736338408 598239264 /nfs/dbraw/zinc/23/92/64/598239264.db2.gz SXZGBJAQYAIIDR-UHFFFAOYSA-N -1 3 372.498 3.137 20 30 FGEDHM CCC(CC)CN(CCC#N)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736338408 598239265 /nfs/dbraw/zinc/23/92/65/598239265.db2.gz SXZGBJAQYAIIDR-UHFFFAOYSA-N -1 3 372.498 3.137 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(O)cc1 ZINC000735451177 598313796 /nfs/dbraw/zinc/31/37/96/598313796.db2.gz RPJKLIJGXDJGRE-UHFFFAOYSA-N -1 3 362.315 3.427 20 30 FGEDHM C#CCOc1ccccc1[C@@H](C)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735387594 598417496 /nfs/dbraw/zinc/41/74/96/598417496.db2.gz AUICUAHMXMCHOM-RDRICISKSA-N -1 3 374.400 3.196 20 30 FGEDHM C#CCOc1ccccc1[C@@H](C)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735387594 598417497 /nfs/dbraw/zinc/41/74/97/598417497.db2.gz AUICUAHMXMCHOM-RDRICISKSA-N -1 3 374.400 3.196 20 30 FGEDHM CSC=CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821956365 607358635 /nfs/dbraw/zinc/35/86/35/607358635.db2.gz NACNKYWNEDXCGI-SYTKJHMZSA-N -1 3 368.447 3.043 20 30 FGEDHM CSC=CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821956365 607358637 /nfs/dbraw/zinc/35/86/37/607358637.db2.gz NACNKYWNEDXCGI-SYTKJHMZSA-N -1 3 368.447 3.043 20 30 FGEDHM C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735425763 598625579 /nfs/dbraw/zinc/62/55/79/598625579.db2.gz FYGAHGVOFPZEBS-UHFFFAOYSA-N -1 3 370.363 3.365 20 30 FGEDHM C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735425763 598625581 /nfs/dbraw/zinc/62/55/81/598625581.db2.gz FYGAHGVOFPZEBS-UHFFFAOYSA-N -1 3 370.363 3.365 20 30 FGEDHM C=CC1CCN(c2c(-c3nnn[n-]3)cnc3ccc(OC(F)F)cc32)CC1 ZINC000735409809 598676150 /nfs/dbraw/zinc/67/61/50/598676150.db2.gz LNNDATSSJZYXRP-UHFFFAOYSA-N -1 3 372.379 3.419 20 30 FGEDHM C=CC1CCN(c2c(-c3nn[n-]n3)cnc3ccc(OC(F)F)cc32)CC1 ZINC000735409809 598676151 /nfs/dbraw/zinc/67/61/51/598676151.db2.gz LNNDATSSJZYXRP-UHFFFAOYSA-N -1 3 372.379 3.419 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC/C=C\c1ccccc1 ZINC000735421413 598800709 /nfs/dbraw/zinc/80/07/09/598800709.db2.gz YUCFMRCHNDITPC-XFFZJAGNSA-N -1 3 374.448 3.278 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC/C=C\c1ccccc1 ZINC000735421413 598800710 /nfs/dbraw/zinc/80/07/10/598800710.db2.gz YUCFMRCHNDITPC-XFFZJAGNSA-N -1 3 374.448 3.278 20 30 FGEDHM COc1ccc(CNc2cccc(OCCCC#N)c2)cc1-c1nnn[n-]1 ZINC000821824529 599412468 /nfs/dbraw/zinc/41/24/68/599412468.db2.gz LWIPQSMEGJOPEH-UHFFFAOYSA-N -1 3 364.409 3.170 20 30 FGEDHM COc1ccc(CNc2cccc(OCCCC#N)c2)cc1-c1nn[n-]n1 ZINC000821824529 599412471 /nfs/dbraw/zinc/41/24/71/599412471.db2.gz LWIPQSMEGJOPEH-UHFFFAOYSA-N -1 3 364.409 3.170 20 30 FGEDHM CCc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)s1 ZINC000736677499 599460326 /nfs/dbraw/zinc/46/03/26/599460326.db2.gz LTOZUJOHJYPBHE-XQRVVYSFSA-N -1 3 350.407 3.034 20 30 FGEDHM CCc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)s1 ZINC000736677499 599460329 /nfs/dbraw/zinc/46/03/29/599460329.db2.gz LTOZUJOHJYPBHE-XQRVVYSFSA-N -1 3 350.407 3.034 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC#Cc1ccccc1Cl ZINC000826250960 607383784 /nfs/dbraw/zinc/38/37/84/607383784.db2.gz AQXXVLVUSZHBPN-UHFFFAOYSA-N -1 3 352.781 3.037 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC#Cc1ccccc1Cl ZINC000826250960 607383786 /nfs/dbraw/zinc/38/37/86/607383786.db2.gz AQXXVLVUSZHBPN-UHFFFAOYSA-N -1 3 352.781 3.037 20 30 FGEDHM C=CCOCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000819758946 599628119 /nfs/dbraw/zinc/62/81/19/599628119.db2.gz JVPUTKAXYKYXFS-UHFFFAOYSA-N -1 3 361.471 3.118 20 30 FGEDHM C=CCOCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000819758946 599628120 /nfs/dbraw/zinc/62/81/20/599628120.db2.gz JVPUTKAXYKYXFS-UHFFFAOYSA-N -1 3 361.471 3.118 20 30 FGEDHM C=C(C)CN1CCC(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])CC1 ZINC000736094584 599951626 /nfs/dbraw/zinc/95/16/26/599951626.db2.gz OFAHZBNOJASTJD-CQSZACIVSA-N -1 3 362.495 3.022 20 30 FGEDHM CC[C@@H](C#N)Oc1cc(CN[C@@H](C(=O)[O-])c2ccccc2)ccc1OC ZINC000736847956 600437671 /nfs/dbraw/zinc/43/76/71/600437671.db2.gz ICJTUWNNRJAKJR-QFBILLFUSA-N -1 3 354.406 3.292 20 30 FGEDHM N#Cc1ccc([C@@H](NCc2ccc(Br)s2)C(=O)[O-])cc1 ZINC000739108786 600592602 /nfs/dbraw/zinc/59/26/02/600592602.db2.gz WZWPKROJLKUONO-CYBMUJFWSA-N -1 3 351.225 3.298 20 30 FGEDHM CC(C)c1nc([C@H]2CCCN([C@H](C(=O)[O-])c3cccc(C#N)c3)C2)no1 ZINC000827144562 601312262 /nfs/dbraw/zinc/31/22/62/601312262.db2.gz OCZQURRKYRUOQR-HOTGVXAUSA-N -1 3 354.410 3.070 20 30 FGEDHM Cc1sc(NC(=O)CN[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c(C#N)c1C ZINC000833036030 601658455 /nfs/dbraw/zinc/65/84/55/601658455.db2.gz IAZCXFYOZZYRFS-SJCJKPOMSA-N -1 3 371.462 3.227 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(F)c(F)cc1F ZINC000823914401 607577057 /nfs/dbraw/zinc/57/70/57/607577057.db2.gz ICTBRAMRZWINON-UHFFFAOYSA-N -1 3 373.338 3.112 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(F)c(F)cc1F ZINC000823914401 607577059 /nfs/dbraw/zinc/57/70/59/607577059.db2.gz ICTBRAMRZWINON-UHFFFAOYSA-N -1 3 373.338 3.112 20 30 FGEDHM CCCN(Cc1cc(Cl)ccc1OCC#N)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739360887 602991141 /nfs/dbraw/zinc/99/11/41/602991141.db2.gz XZRHHVWAGKMXJJ-OAHLLOKOSA-N -1 3 351.834 3.207 20 30 FGEDHM C=C(C)CN1CCC(NC(=O)Nc2cc(NC(=O)[O-])ccc2F)CC1 ZINC000738485150 603038554 /nfs/dbraw/zinc/03/85/54/603038554.db2.gz BMZOPFCSWOTXCW-UHFFFAOYSA-N -1 3 350.394 3.078 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000826246127 607686589 /nfs/dbraw/zinc/68/65/89/607686589.db2.gz SMZYOVJUFAYVJA-SFHVURJKSA-N -1 3 374.448 3.467 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000826246127 607686591 /nfs/dbraw/zinc/68/65/91/607686591.db2.gz SMZYOVJUFAYVJA-SFHVURJKSA-N -1 3 374.448 3.467 20 30 FGEDHM C=CCOc1ccc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])cc1OC ZINC000825698813 604463251 /nfs/dbraw/zinc/46/32/51/604463251.db2.gz LHULUUBOLCYWSU-GOSISDBHSA-N -1 3 353.418 3.272 20 30 FGEDHM CC[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000827514685 605232587 /nfs/dbraw/zinc/23/25/87/605232587.db2.gz SMTGOWONHAKIHY-KWQFWETISA-N -1 3 365.361 3.311 20 30 FGEDHM C=CCN(Cc1nc(C2CCCC2)no1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823915450 607738320 /nfs/dbraw/zinc/73/83/20/607738320.db2.gz YHZOCIQUXXMZAE-UHFFFAOYSA-N -1 3 365.441 3.096 20 30 FGEDHM C=CCN(Cc1nc(C2CCCC2)no1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823915450 607738321 /nfs/dbraw/zinc/73/83/21/607738321.db2.gz YHZOCIQUXXMZAE-UHFFFAOYSA-N -1 3 365.441 3.096 20 30 FGEDHM CN(CCC#N)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000821597696 606021082 /nfs/dbraw/zinc/02/10/82/606021082.db2.gz CZNPIGFVOSGOKN-UHFFFAOYSA-N -1 3 363.381 3.036 20 30 FGEDHM CN(CCC#N)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000821597696 606021084 /nfs/dbraw/zinc/02/10/84/606021084.db2.gz CZNPIGFVOSGOKN-UHFFFAOYSA-N -1 3 363.381 3.036 20 30 FGEDHM c1sc(CN=Nc2nc(-c3ccccc3)cs2)cc1-c1nnn[n-]1 ZINC000819718758 606203207 /nfs/dbraw/zinc/20/32/07/606203207.db2.gz OWRUHHODHUXIIK-UHFFFAOYSA-N -1 3 353.436 3.498 20 30 FGEDHM c1sc(CN=Nc2nc(-c3ccccc3)cs2)cc1-c1nn[n-]n1 ZINC000819718758 606203211 /nfs/dbraw/zinc/20/32/11/606203211.db2.gz OWRUHHODHUXIIK-UHFFFAOYSA-N -1 3 353.436 3.498 20 30 FGEDHM N#Cc1c[nH]c(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)c1 ZINC000822818528 606262628 /nfs/dbraw/zinc/26/26/28/606262628.db2.gz BQQLGKPBMSVBNT-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#Cc1c[nH]c(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)c1 ZINC000822818528 606262629 /nfs/dbraw/zinc/26/26/29/606262629.db2.gz BQQLGKPBMSVBNT-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM FC(F)(F)c1ccc(CNN=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822723254 606371105 /nfs/dbraw/zinc/37/11/05/606371105.db2.gz BJILRNKYPSAMCH-UHFFFAOYSA-N -1 3 352.345 3.071 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(C(C)C)CC1 ZINC000819742824 606616727 /nfs/dbraw/zinc/61/67/27/606616727.db2.gz AHSJSMOXJUZROM-UHFFFAOYSA-N -1 3 354.458 3.001 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(C(C)C)CC1 ZINC000819742824 606616729 /nfs/dbraw/zinc/61/67/29/606616729.db2.gz AHSJSMOXJUZROM-UHFFFAOYSA-N -1 3 354.458 3.001 20 30 FGEDHM Cc1cccc(N=C2NN=C(c3ccc(-c4nnn[n-]4)cc3)CS2)c1C ZINC000822323660 606632278 /nfs/dbraw/zinc/63/22/78/606632278.db2.gz LUOSANPQUCOTMJ-UHFFFAOYSA-N -1 3 363.450 3.212 20 30 FGEDHM Cc1cccc(N=C2NN=C(c3ccc(-c4nn[n-]n4)cc3)CS2)c1C ZINC000822323660 606632280 /nfs/dbraw/zinc/63/22/80/606632280.db2.gz LUOSANPQUCOTMJ-UHFFFAOYSA-N -1 3 363.450 3.212 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000819743668 606674040 /nfs/dbraw/zinc/67/40/40/606674040.db2.gz NOBXBPSWNYAUQI-VQTJNVASSA-N -1 3 373.460 3.260 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000819743668 606674041 /nfs/dbraw/zinc/67/40/41/606674041.db2.gz NOBXBPSWNYAUQI-VQTJNVASSA-N -1 3 373.460 3.260 20 30 FGEDHM N#Cc1cccc(OCCCn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000822837365 606840120 /nfs/dbraw/zinc/84/01/20/606840120.db2.gz LIDGLUUGZIOTLR-UHFFFAOYSA-N -1 3 371.404 3.071 20 30 FGEDHM N#Cc1cccc(OCCCn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000822837365 606840121 /nfs/dbraw/zinc/84/01/21/606840121.db2.gz LIDGLUUGZIOTLR-UHFFFAOYSA-N -1 3 371.404 3.071 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cncc(-c3ccccc3)c2)cc1-c1nnn[n-]1 ZINC000822829902 606868664 /nfs/dbraw/zinc/86/86/64/606868664.db2.gz OOZINEGDKCTRTJ-UHFFFAOYSA-N -1 3 367.372 3.053 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cncc(-c3ccccc3)c2)cc1-c1nn[n-]n1 ZINC000822829902 606868665 /nfs/dbraw/zinc/86/86/65/606868665.db2.gz OOZINEGDKCTRTJ-UHFFFAOYSA-N -1 3 367.372 3.053 20 30 FGEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)C=Cc1ccccc1C#N ZINC000821118197 607041144 /nfs/dbraw/zinc/04/11/44/607041144.db2.gz IJCMNXZCWASTQC-CSKARUKUSA-N -1 3 373.420 3.212 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000822801694 607070774 /nfs/dbraw/zinc/07/07/74/607070774.db2.gz MOISLSCYCAGOGH-RTBURBONSA-N -1 3 362.412 3.278 20 30 FGEDHM C=C(C)[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)OCC ZINC000823874334 607926920 /nfs/dbraw/zinc/92/69/20/607926920.db2.gz VEUOHRGLJAQFTP-ZDUSSCGKSA-N -1 3 369.347 3.195 20 30 FGEDHM C=C(C)[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)OCC ZINC000823874334 607926921 /nfs/dbraw/zinc/92/69/21/607926921.db2.gz VEUOHRGLJAQFTP-ZDUSSCGKSA-N -1 3 369.347 3.195 20 30 FGEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)OCC ZINC000823874328 607927028 /nfs/dbraw/zinc/92/70/28/607927028.db2.gz VEUOHRGLJAQFTP-CYBMUJFWSA-N -1 3 369.347 3.195 20 30 FGEDHM C=C(C)[C@@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)OCC ZINC000823874328 607927029 /nfs/dbraw/zinc/92/70/29/607927029.db2.gz VEUOHRGLJAQFTP-CYBMUJFWSA-N -1 3 369.347 3.195 20 30 FGEDHM C=C[C@@H](CC(=O)OCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883756 607980934 /nfs/dbraw/zinc/98/09/34/607980934.db2.gz ZYNDEUMOOMRNEW-HNNXBMFYSA-N -1 3 364.405 3.149 20 30 FGEDHM C=C[C@@H](CC(=O)OCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883756 607980935 /nfs/dbraw/zinc/98/09/35/607980935.db2.gz ZYNDEUMOOMRNEW-HNNXBMFYSA-N -1 3 364.405 3.149 20 30 FGEDHM C=C[C@@H](CC(=O)NC1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ccccc1 ZINC000823882866 607995087 /nfs/dbraw/zinc/99/50/87/607995087.db2.gz FCNLXJLGIKPMRL-HNNXBMFYSA-N -1 3 359.433 3.332 20 30 FGEDHM C=C[C@@H](CC(=O)NC1(c2cccc(-c3nn[n-]n3)c2)CC1)c1ccccc1 ZINC000823882866 607995088 /nfs/dbraw/zinc/99/50/88/607995088.db2.gz FCNLXJLGIKPMRL-HNNXBMFYSA-N -1 3 359.433 3.332 20 30 FGEDHM CCCCCCCC(=O)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825272163 608085880 /nfs/dbraw/zinc/08/58/80/608085880.db2.gz XTOWPHPIRPIQKG-KRWDZBQOSA-N -1 3 357.458 3.127 20 30 FGEDHM CCCCCCCC(=O)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825272163 608085881 /nfs/dbraw/zinc/08/58/81/608085881.db2.gz XTOWPHPIRPIQKG-KRWDZBQOSA-N -1 3 357.458 3.127 20 30 FGEDHM CC(=NNC(=S)Nc1cccc(C)c1C)c1ccc(-c2nnn[n-]2)s1 ZINC000823953913 608091629 /nfs/dbraw/zinc/09/16/29/608091629.db2.gz VGSBHLRCUUJKNH-UHFFFAOYSA-N -1 3 371.495 3.256 20 30 FGEDHM O=C(C=Cc1cnc2ccc(Cl)cn12)c1ccc(-c2nnn[n-]2)s1 ZINC000826403626 608093227 /nfs/dbraw/zinc/09/32/27/608093227.db2.gz XJOWMNQFNISTHH-IHWYPQMZSA-N -1 3 356.798 3.125 20 30 FGEDHM C#CCCCCC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823838760 608304851 /nfs/dbraw/zinc/30/48/51/608304851.db2.gz UDRHYCIQGIQWIJ-UHFFFAOYSA-N -1 3 359.433 3.344 20 30 FGEDHM C#CCCCCC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823838760 608304853 /nfs/dbraw/zinc/30/48/53/608304853.db2.gz UDRHYCIQGIQWIJ-UHFFFAOYSA-N -1 3 359.433 3.344 20 30 FGEDHM C=C[C@@H](CC(=O)OCc1cccc(-c2nnn[n-]2)c1F)c1ccccc1 ZINC000823883716 608454409 /nfs/dbraw/zinc/45/44/09/608454409.db2.gz YVTUYRMRQLPGKK-ZDUSSCGKSA-N -1 3 352.369 3.409 20 30 FGEDHM C=C[C@@H](CC(=O)OCc1cccc(-c2nn[n-]n2)c1F)c1ccccc1 ZINC000823883716 608454410 /nfs/dbraw/zinc/45/44/10/608454410.db2.gz YVTUYRMRQLPGKK-ZDUSSCGKSA-N -1 3 352.369 3.409 20 30 FGEDHM C=CCOc1cccnc1C(=O)Nc1sc(C)c(CC)c1-c1nnn[n-]1 ZINC000823931732 608543767 /nfs/dbraw/zinc/54/37/67/608543767.db2.gz DSOKXWYELGIONF-UHFFFAOYSA-N -1 3 370.438 3.011 20 30 FGEDHM C=CCOc1cccnc1C(=O)Nc1sc(C)c(CC)c1-c1nn[n-]n1 ZINC000823931732 608543770 /nfs/dbraw/zinc/54/37/70/608543770.db2.gz DSOKXWYELGIONF-UHFFFAOYSA-N -1 3 370.438 3.011 20 30 FGEDHM C=C(C)COc1cc(CNc2cccc(-c3nnn[n-]3)c2)ccc1OC ZINC000823877844 608867476 /nfs/dbraw/zinc/86/74/76/608867476.db2.gz HSOGLIIWUTWORP-UHFFFAOYSA-N -1 3 351.410 3.442 20 30 FGEDHM C=C(C)COc1cc(CNc2cccc(-c3nn[n-]n3)c2)ccc1OC ZINC000823877844 608867478 /nfs/dbraw/zinc/86/74/78/608867478.db2.gz HSOGLIIWUTWORP-UHFFFAOYSA-N -1 3 351.410 3.442 20 30 FGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1cnn(Cc2ccccc2)c1 ZINC000826400816 608880134 /nfs/dbraw/zinc/88/01/34/608880134.db2.gz IZUOFXLFDYAWJJ-CLFYSBASSA-N -1 3 374.379 3.147 20 30 FGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1cnn(Cc2ccccc2)c1 ZINC000826400816 608880135 /nfs/dbraw/zinc/88/01/35/608880135.db2.gz IZUOFXLFDYAWJJ-CLFYSBASSA-N -1 3 374.379 3.147 20 30 FGEDHM C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824721473 609233460 /nfs/dbraw/zinc/23/34/60/609233460.db2.gz ASSJRAPWFSJSJW-ZDUSSCGKSA-N -1 3 359.389 3.340 20 30 FGEDHM C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824721473 609233461 /nfs/dbraw/zinc/23/34/61/609233461.db2.gz ASSJRAPWFSJSJW-ZDUSSCGKSA-N -1 3 359.389 3.340 20 30 FGEDHM COc1cc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1OC ZINC000826178332 609271715 /nfs/dbraw/zinc/27/17/15/609271715.db2.gz SXDIRZMMNPWETP-FNORWQNLSA-N -1 3 368.368 3.228 20 30 FGEDHM COc1cc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1OC ZINC000826178332 609271716 /nfs/dbraw/zinc/27/17/16/609271716.db2.gz SXDIRZMMNPWETP-FNORWQNLSA-N -1 3 368.368 3.228 20 30 FGEDHM Cc1cccc(NN=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826299468 609302439 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FC(F)SCc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822737281 729215104 /nfs/dbraw/zinc/21/51/04/729215104.db2.gz SQEXJZHUKSAXQL-UHFFFAOYSA-N -1 3 364.381 3.039 20 30 FGEDHM FC(F)SCc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822737281 729215106 /nfs/dbraw/zinc/21/51/06/729215106.db2.gz SQEXJZHUKSAXQL-UHFFFAOYSA-N -1 3 364.381 3.039 20 30 FGEDHM C=CCOc1ccccc1CNc1ncc(Cl)c(C)c1-c1nnn[n-]1 ZINC000823932173 729313058 /nfs/dbraw/zinc/31/30/58/729313058.db2.gz RIXAXFNFNFFXKB-UHFFFAOYSA-N -1 3 356.817 3.400 20 30 FGEDHM C=CCOc1ccccc1CNc1ncc(Cl)c(C)c1-c1nn[n-]n1 ZINC000823932173 729313062 /nfs/dbraw/zinc/31/30/62/729313062.db2.gz RIXAXFNFNFFXKB-UHFFFAOYSA-N -1 3 356.817 3.400 20 30 FGEDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000826400981 729407962 /nfs/dbraw/zinc/40/79/62/729407962.db2.gz MMNSAMVPUAOZSC-FNORWQNLSA-N -1 3 355.741 3.324 20 30 FGEDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000826400981 729407963 /nfs/dbraw/zinc/40/79/63/729407963.db2.gz MMNSAMVPUAOZSC-FNORWQNLSA-N -1 3 355.741 3.324 20 30 FGEDHM C[C@]1(C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CC1(Cl)Cl ZINC000832148761 729693137 /nfs/dbraw/zinc/69/31/37/729693137.db2.gz RNSGCRMQHXAMPF-LLVKDONJSA-N -1 3 353.658 3.074 20 30 FGEDHM C[C@]1(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@]1(F)Cl ZINC000845977165 730914263 /nfs/dbraw/zinc/91/42/63/730914263.db2.gz VBJLOUHWRRTUMH-QWHCGFSZSA-N -1 3 351.230 3.195 20 30 FGEDHM C=C(C)CO[N-]C(=O)Cc1cc(OCC)c(OCC)cc1Br ZINC000846540355 730962222 /nfs/dbraw/zinc/96/22/22/730962222.db2.gz RDNCWXWALUVRQC-UHFFFAOYSA-N -1 3 372.259 3.413 20 30 FGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2scc3c2OCCO3)cc1 ZINC000847624422 731071746 /nfs/dbraw/zinc/07/17/46/731071746.db2.gz VASSZSXRJCQRDE-CYBMUJFWSA-N -1 3 356.403 3.043 20 30 FGEDHM CCCCCCCNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000858114004 732181697 /nfs/dbraw/zinc/18/16/97/732181697.db2.gz SDFFLBHETSLSDF-ZDUSSCGKSA-N -1 3 351.413 3.057 20 30 FGEDHM N#CC1(CCCC[S@](=O)Cc2nc(C(F)(F)F)cc(=O)[n-]2)CCC1 ZINC000899397486 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FGEDHM N#CCc1ccc(CS(=O)(=O)[N-]c2ccc(N3CCCCC3)cn2)cc1 ZINC000566228835 505118992 /nfs/dbraw/zinc/11/89/92/505118992.db2.gz UFCLQKGAKNTRDP-UHFFFAOYSA-N -1 3 370.478 3.080 20 30 FGEDHM CCc1cc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1[O-] ZINC000561092632 505248646 /nfs/dbraw/zinc/24/86/46/505248646.db2.gz YTJNHTNAUVXBJI-UHFFFAOYSA-N -1 3 363.461 3.174 20 30 FGEDHM Cc1cc(S(=O)(=O)[N-]CCc2cccc(C#N)c2)c(Cl)cc1F ZINC000555073364 505342092 /nfs/dbraw/zinc/34/20/92/505342092.db2.gz ZIRQXLWKHKWONE-UHFFFAOYSA-N -1 3 352.818 3.180 20 30 FGEDHM Cc1cccc([O-])c1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000599728876 506605566 /nfs/dbraw/zinc/60/55/66/506605566.db2.gz XBVQEQJDLIQLRT-UHFFFAOYSA-N -1 3 351.406 3.087 20 30 FGEDHM CSc1ccc([O-])c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 ZINC000596828450 506622098 /nfs/dbraw/zinc/62/20/98/506622098.db2.gz JYWNOXAXLLETMS-UHFFFAOYSA-N -1 3 369.490 3.190 20 30 FGEDHM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3cccc(CC#N)c3)cc2)c1C ZINC000589659858 506622304 /nfs/dbraw/zinc/62/23/04/506622304.db2.gz XFWLQVDJCFNOKG-UHFFFAOYSA-N -1 3 366.446 3.356 20 30 FGEDHM Cc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)c(OCC2CC2)c1 ZINC000593561326 506685530 /nfs/dbraw/zinc/68/55/30/506685530.db2.gz VAOGFXVSENUIGK-UHFFFAOYSA-N -1 3 362.476 3.196 20 30 FGEDHM Cc1cc(Br)sc1S(=O)(=O)[N-]CC(C)(C)CC#N ZINC000593607870 506701697 /nfs/dbraw/zinc/70/16/97/506701697.db2.gz OYDLNXAUAGVSNG-UHFFFAOYSA-N -1 3 351.291 3.037 20 30 FGEDHM C=C(C)COc1cc(CN[C@@H](CC(=O)[O-])c2ccncc2)ccc1OC ZINC000583575374 506859204 /nfs/dbraw/zinc/85/92/04/506859204.db2.gz CVGBTACTYRZNRV-KRWDZBQOSA-N -1 3 356.422 3.351 20 30 FGEDHM CCOc1ccc(-c2nc(C(=O)[N-]c3ccncc3C#N)cs2)cc1 ZINC000609786349 507000689 /nfs/dbraw/zinc/00/06/89/507000689.db2.gz RILSOLXANJLUFA-UHFFFAOYSA-N -1 3 350.403 3.150 20 30 FGEDHM N#Cc1cccc(Oc2ccc([N-]S(=O)(=O)C[C@@H]3CCCCO3)cn2)c1 ZINC000610123717 507107575 /nfs/dbraw/zinc/10/75/75/507107575.db2.gz PFRSJFJUJFZHAS-KRWDZBQOSA-N -1 3 373.434 3.056 20 30 FGEDHM CC(C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C(C)(F)F ZINC000594577975 507192136 /nfs/dbraw/zinc/19/21/36/507192136.db2.gz XPGAFGWNJYBOGH-UHFFFAOYSA-N -1 3 356.316 3.289 20 30 FGEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594722058 507253819 /nfs/dbraw/zinc/25/38/19/507253819.db2.gz XHHRZBHRSZVBAZ-LLVKDONJSA-N -1 3 365.680 3.319 20 30 FGEDHM CC[C@H]([N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)[C@H]1CCCO1 ZINC000594765313 507271592 /nfs/dbraw/zinc/27/15/92/507271592.db2.gz JXSJANNZOHHQLQ-LSDHHAIUSA-N -1 3 364.492 3.317 20 30 FGEDHM CO[C@@H]([C@H](C)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)C1CC1 ZINC000594780488 507279366 /nfs/dbraw/zinc/27/93/66/507279366.db2.gz PHOMYEJFKMZJPI-ZBEGNZNMSA-N -1 3 364.492 3.173 20 30 FGEDHM N#Cc1cc(Oc2ccc(NC(=O)c3ccc4n[n-]nc4c3)cc2)ccn1 ZINC000584344200 507293010 /nfs/dbraw/zinc/29/30/10/507293010.db2.gz VCHXLDCVANJORY-UHFFFAOYSA-N -1 3 356.345 3.269 20 30 FGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C1CCC2(CC2(F)F)CC1 ZINC000594870708 507301279 /nfs/dbraw/zinc/30/12/79/507301279.db2.gz OJGOJBICZSPDAW-UHFFFAOYSA-N -1 3 360.813 3.458 20 30 FGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1COc2c1cccc2Cl ZINC000611026269 507487073 /nfs/dbraw/zinc/48/70/73/507487073.db2.gz TUSMUNOOWYPXMP-CYBMUJFWSA-N -1 3 369.229 3.277 20 30 FGEDHM N#Cc1ccccc1NC1CCN(C(=O)Cc2ccc([O-])c(F)c2)CC1 ZINC000602180997 507617335 /nfs/dbraw/zinc/61/73/35/507617335.db2.gz MTKJPWQHXLAVQB-UHFFFAOYSA-N -1 3 353.397 3.049 20 30 FGEDHM CC(C)(C#N)c1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)cc1 ZINC000602196075 507626346 /nfs/dbraw/zinc/62/63/46/507626346.db2.gz UXIVPJRQOSNBSE-UHFFFAOYSA-N -1 3 350.422 3.181 20 30 FGEDHM N#Cc1ccc(-c2cccc(CNc3ncccc3-c3nnn[n-]3)c2)s1 ZINC000737708540 598854638 /nfs/dbraw/zinc/85/46/38/598854638.db2.gz DSDWXKFAHAERAW-UHFFFAOYSA-N -1 3 359.418 3.474 20 30 FGEDHM N#Cc1ccc(-c2cccc(CNc3ncccc3-c3nn[n-]n3)c2)s1 ZINC000737708540 598854640 /nfs/dbraw/zinc/85/46/40/598854640.db2.gz DSDWXKFAHAERAW-UHFFFAOYSA-N -1 3 359.418 3.474 20 30 FGEDHM N#Cc1cc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1-c1nnn[n-]1 ZINC000737706090 598922852 /nfs/dbraw/zinc/92/28/52/598922852.db2.gz VWRULFKANBUCMX-MWLCHTKSSA-N -1 3 364.331 3.046 20 30 FGEDHM N#Cc1cc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1-c1nn[n-]n1 ZINC000737706090 598922853 /nfs/dbraw/zinc/92/28/53/598922853.db2.gz VWRULFKANBUCMX-MWLCHTKSSA-N -1 3 364.331 3.046 20 30 FGEDHM Cc1c(C(=O)C=Cc2nccc3ccccc32)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202469 598937030 /nfs/dbraw/zinc/93/70/30/598937030.db2.gz MTSLPYRFXAPPED-HJWRWDBZSA-N -1 3 370.416 3.367 20 30 FGEDHM Cc1c(C(=O)C=Cc2nccc3ccccc32)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202469 598937031 /nfs/dbraw/zinc/93/70/31/598937031.db2.gz MTSLPYRFXAPPED-HJWRWDBZSA-N -1 3 370.416 3.367 20 30 FGEDHM Cc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1-n1cccc1 ZINC000737314378 599193335 /nfs/dbraw/zinc/19/33/35/599193335.db2.gz CGDPNBKBDNGGCH-UHFFFAOYSA-N -1 3 369.388 3.090 20 30 FGEDHM Cc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1-n1cccc1 ZINC000737314378 599193337 /nfs/dbraw/zinc/19/33/37/599193337.db2.gz CGDPNBKBDNGGCH-UHFFFAOYSA-N -1 3 369.388 3.090 20 30 FGEDHM CC(C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000735706921 599198984 /nfs/dbraw/zinc/19/89/84/599198984.db2.gz AMBCUYBKTQUGHK-SFHVURJKSA-N -1 3 360.421 3.192 20 30 FGEDHM CC(C)[C@H](Cc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000735706921 599198986 /nfs/dbraw/zinc/19/89/86/599198986.db2.gz AMBCUYBKTQUGHK-SFHVURJKSA-N -1 3 360.421 3.192 20 30 FGEDHM N#CCc1ccc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)cc1 ZINC000737698019 598318679 /nfs/dbraw/zinc/31/86/79/598318679.db2.gz RDGOMIUIAIIDLQ-UHFFFAOYSA-N -1 3 369.841 3.395 20 30 FGEDHM N#CCc1ccc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000737698019 598318682 /nfs/dbraw/zinc/31/86/82/598318682.db2.gz RDGOMIUIAIIDLQ-UHFFFAOYSA-N -1 3 369.841 3.395 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(F)ccc2F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202947 598377322 /nfs/dbraw/zinc/37/73/22/598377322.db2.gz QDFMYFJXIPGEMF-QPJJXVBHSA-N -1 3 355.348 3.097 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(F)ccc2F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202947 598377323 /nfs/dbraw/zinc/37/73/23/598377323.db2.gz QDFMYFJXIPGEMF-QPJJXVBHSA-N -1 3 355.348 3.097 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)c1ccccc1 ZINC000735420724 598432326 /nfs/dbraw/zinc/43/23/26/598432326.db2.gz RBGVDFDBUMKYHM-HNNXBMFYSA-N -1 3 362.437 3.326 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)c1ccccc1 ZINC000735420724 598432328 /nfs/dbraw/zinc/43/23/28/598432328.db2.gz RBGVDFDBUMKYHM-HNNXBMFYSA-N -1 3 362.437 3.326 20 30 FGEDHM Cc1sc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2)c(C#N)c1C ZINC000737560855 598647648 /nfs/dbraw/zinc/64/76/48/598647648.db2.gz DAIODSSVSSREDK-UHFFFAOYSA-N -1 3 370.463 3.148 20 30 FGEDHM Cc1sc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2)c(C#N)c1C ZINC000737560855 598647650 /nfs/dbraw/zinc/64/76/50/598647650.db2.gz DAIODSSVSSREDK-UHFFFAOYSA-N -1 3 370.463 3.148 20 30 FGEDHM C#Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)cn1 ZINC000735389497 598735610 /nfs/dbraw/zinc/73/56/10/598735610.db2.gz BZCIYQLCKZAVJE-UHFFFAOYSA-N -1 3 372.413 3.224 20 30 FGEDHM C#Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)cn1 ZINC000735389497 598735611 /nfs/dbraw/zinc/73/56/11/598735611.db2.gz BZCIYQLCKZAVJE-UHFFFAOYSA-N -1 3 372.413 3.224 20 30 FGEDHM c1cc2c(ncnc2N=NC2CCCc3cc(-c4nnn[n-]4)ccc32)s1 ZINC000823821213 599336394 /nfs/dbraw/zinc/33/63/94/599336394.db2.gz PGAQKUJUVGAOQR-UHFFFAOYSA-N -1 3 362.422 3.024 20 30 FGEDHM c1cc2c(ncnc2N=NC2CCCc3cc(-c4nn[n-]n4)ccc32)s1 ZINC000823821213 599336395 /nfs/dbraw/zinc/33/63/95/599336395.db2.gz PGAQKUJUVGAOQR-UHFFFAOYSA-N -1 3 362.422 3.024 20 30 FGEDHM CC(C)Oc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000735906687 599460511 /nfs/dbraw/zinc/46/05/11/599460511.db2.gz TXMKYKPCVJHTND-TWGQIWQCSA-N -1 3 374.404 3.198 20 30 FGEDHM CC(C)Oc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000735906687 599460512 /nfs/dbraw/zinc/46/05/12/599460512.db2.gz TXMKYKPCVJHTND-TWGQIWQCSA-N -1 3 374.404 3.198 20 30 FGEDHM N#Cc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C(F)(F)F ZINC000822829802 599633207 /nfs/dbraw/zinc/63/32/07/599633207.db2.gz JZNWALGGUSBWEQ-UHFFFAOYSA-N -1 3 358.283 3.009 20 30 FGEDHM N#Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C(F)(F)F ZINC000822829802 599633208 /nfs/dbraw/zinc/63/32/08/599633208.db2.gz JZNWALGGUSBWEQ-UHFFFAOYSA-N -1 3 358.283 3.009 20 30 FGEDHM N#CCC[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000826381441 607429321 /nfs/dbraw/zinc/42/93/21/607429321.db2.gz LXYNKHFQGVPZLG-QFQMRYFISA-N -1 3 358.405 3.041 20 30 FGEDHM N#CCC[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000826381441 607429322 /nfs/dbraw/zinc/42/93/22/607429322.db2.gz LXYNKHFQGVPZLG-QFQMRYFISA-N -1 3 358.405 3.041 20 30 FGEDHM CC(C)C(=O)Nc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736347727 600592085 /nfs/dbraw/zinc/59/20/85/600592085.db2.gz XNKXAZXUZYMIAL-SFHVURJKSA-N -1 3 351.406 3.068 20 30 FGEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNc1ccc(OC(F)(F)F)cc1 ZINC000822739885 607463721 /nfs/dbraw/zinc/46/37/21/607463721.db2.gz DFYOFIZURYVZRJ-UHFFFAOYSA-N -1 3 366.278 3.350 20 30 FGEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1ccc(OC(F)(F)F)cc1 ZINC000822739885 607463723 /nfs/dbraw/zinc/46/37/23/607463723.db2.gz DFYOFIZURYVZRJ-UHFFFAOYSA-N -1 3 366.278 3.350 20 30 FGEDHM COc1ccc(CN=Cc2c(O)ccc3ccccc32)cc1-c1nnn[n-]1 ZINC000826195730 607527861 /nfs/dbraw/zinc/52/78/61/607527861.db2.gz DGLRDZOUBNFGTH-MTJSOVHGSA-N -1 3 359.389 3.353 20 30 FGEDHM COc1ccc(CN=Cc2c(O)ccc3ccccc32)cc1-c1nn[n-]n1 ZINC000826195730 607527863 /nfs/dbraw/zinc/52/78/63/607527863.db2.gz DGLRDZOUBNFGTH-MTJSOVHGSA-N -1 3 359.389 3.353 20 30 FGEDHM Cc1cc(C)n(-c2ccccc2CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC000832881171 602132098 /nfs/dbraw/zinc/13/20/98/602132098.db2.gz ZJAUDSLXSFCNLF-FQEVSTJZSA-N -1 3 360.417 3.276 20 30 FGEDHM C=CCN1CCC(NC(=O)c2cc3ccccc3cc2NC(=O)[O-])CC1 ZINC000738493249 602675804 /nfs/dbraw/zinc/67/58/04/602675804.db2.gz ZMRNPRIPXSWGRA-UHFFFAOYSA-N -1 3 353.422 3.310 20 30 FGEDHM C=CCOc1ccc(CN2CCc3ccccc3[C@H]2C(=O)[O-])cc1OC ZINC000833378007 604670552 /nfs/dbraw/zinc/67/05/52/604670552.db2.gz VQFDJTWFDHGYBG-FQEVSTJZSA-N -1 3 353.418 3.444 20 30 FGEDHM COc1cc(C)c(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000821707726 606339062 /nfs/dbraw/zinc/33/90/62/606339062.db2.gz CVIJDKDJXHFTHM-FPLPWBNLSA-N -1 3 350.378 3.088 20 30 FGEDHM COc1cc(C)c(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000821707726 606339064 /nfs/dbraw/zinc/33/90/64/606339064.db2.gz CVIJDKDJXHFTHM-FPLPWBNLSA-N -1 3 350.378 3.088 20 30 FGEDHM Fc1ccccc1C=NOCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822795629 606595808 /nfs/dbraw/zinc/59/58/08/606595808.db2.gz DLUFTCBTPHQNQE-UHFFFAOYSA-N -1 3 363.299 3.158 20 30 FGEDHM Fc1ccccc1C=NOCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822795629 606595809 /nfs/dbraw/zinc/59/58/09/606595809.db2.gz DLUFTCBTPHQNQE-UHFFFAOYSA-N -1 3 363.299 3.158 20 30 FGEDHM CC[C@H](C#N)OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820842252 606613741 /nfs/dbraw/zinc/61/37/41/606613741.db2.gz KQZBCIHIIIMHNV-CYBMUJFWSA-N -1 3 365.418 3.477 20 30 FGEDHM CC[C@H](C#N)OC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820842252 606613742 /nfs/dbraw/zinc/61/37/42/606613742.db2.gz KQZBCIHIIIMHNV-CYBMUJFWSA-N -1 3 365.418 3.477 20 30 FGEDHM C=C[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000819730384 606833050 /nfs/dbraw/zinc/83/30/50/606833050.db2.gz YHKBVRPGCSKJNA-GFCCVEGCSA-N -1 3 350.382 3.355 20 30 FGEDHM C=C[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000819730384 606833051 /nfs/dbraw/zinc/83/30/51/606833051.db2.gz YHKBVRPGCSKJNA-GFCCVEGCSA-N -1 3 350.382 3.355 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)O[C@H](C)CC#N)cc1 ZINC000822143624 606839691 /nfs/dbraw/zinc/83/96/91/606839691.db2.gz DMOIEWQZFCFPOO-CYBMUJFWSA-N -1 3 363.377 3.426 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)O[C@H](C)CC#N)cc1 ZINC000822143624 606839692 /nfs/dbraw/zinc/83/96/92/606839692.db2.gz DMOIEWQZFCFPOO-CYBMUJFWSA-N -1 3 363.377 3.426 20 30 FGEDHM N#Cc1ccc(COC(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cc1 ZINC000822825390 606890924 /nfs/dbraw/zinc/89/09/24/606890924.db2.gz DBWDQAUUCYLUNL-UHFFFAOYSA-N -1 3 373.294 3.114 20 30 FGEDHM N#Cc1ccc(COC(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cc1 ZINC000822825390 606890926 /nfs/dbraw/zinc/89/09/26/606890926.db2.gz DBWDQAUUCYLUNL-UHFFFAOYSA-N -1 3 373.294 3.114 20 30 FGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1cnn(Cc2ccccc2)c1 ZINC000822924105 607151601 /nfs/dbraw/zinc/15/16/01/607151601.db2.gz XJWUICNBNLJMHL-SREVYHEPSA-N -1 3 362.418 3.069 20 30 FGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1cnn(Cc2ccccc2)c1 ZINC000822924105 607151603 /nfs/dbraw/zinc/15/16/03/607151603.db2.gz XJWUICNBNLJMHL-SREVYHEPSA-N -1 3 362.418 3.069 20 30 FGEDHM CC(C)(C#N)c1ccccc1COC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819891644 607154491 /nfs/dbraw/zinc/15/44/91/607154491.db2.gz FTSMROUJGSREGF-UHFFFAOYSA-N -1 3 353.407 3.086 20 30 FGEDHM CC(C)(C#N)c1ccccc1COC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819891644 607154493 /nfs/dbraw/zinc/15/44/93/607154493.db2.gz FTSMROUJGSREGF-UHFFFAOYSA-N -1 3 353.407 3.086 20 30 FGEDHM O=C(/C=C\c1c(C2CC2)nc2sccn12)c1cccc(-c2nn[n-]n2)c1 ZINC000822923443 607185783 /nfs/dbraw/zinc/18/57/83/607185783.db2.gz RXOJZFSGXDNAOP-SREVYHEPSA-N -1 3 362.418 3.349 20 30 FGEDHM C=CCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000819758826 607190291 /nfs/dbraw/zinc/19/02/91/607190291.db2.gz IDKPASMXEVVZST-UHFFFAOYSA-N -1 3 355.785 3.337 20 30 FGEDHM C=CCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000819758826 607190292 /nfs/dbraw/zinc/19/02/92/607190292.db2.gz IDKPASMXEVVZST-UHFFFAOYSA-N -1 3 355.785 3.337 20 30 FGEDHM O=C(/C=C\c1ccccc1-c1nn[n-]n1)c1c(Cl)nc2sccn21 ZINC000826401817 607884879 /nfs/dbraw/zinc/88/48/79/607884879.db2.gz HLMHYGPBHSOSKA-WAYWQWQTSA-N -1 3 356.798 3.125 20 30 FGEDHM CC(=Cc1ccccc1Cl)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000823942346 607925886 /nfs/dbraw/zinc/92/58/86/607925886.db2.gz BOPBULNFRSMVPJ-FLIBITNWSA-N -1 3 364.796 3.434 20 30 FGEDHM CC(=Cc1ccccc1Cl)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000823942346 607925887 /nfs/dbraw/zinc/92/58/87/607925887.db2.gz BOPBULNFRSMVPJ-FLIBITNWSA-N -1 3 364.796 3.434 20 30 FGEDHM CC[C@@H](C#N)NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000825038718 607981066 /nfs/dbraw/zinc/98/10/66/607981066.db2.gz GVKJSSCHYWDEEG-LBPRGKRZSA-N -1 3 364.434 3.050 20 30 FGEDHM CC[C@@H](C#N)NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000825038718 607981067 /nfs/dbraw/zinc/98/10/67/607981067.db2.gz GVKJSSCHYWDEEG-LBPRGKRZSA-N -1 3 364.434 3.050 20 30 FGEDHM C=CCCC(=O)COC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000823888068 608057099 /nfs/dbraw/zinc/05/70/99/608057099.db2.gz FAFQIHNIKMLKAJ-UHFFFAOYSA-N -1 3 362.389 3.226 20 30 FGEDHM C=CCCC(=O)COC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000823888068 608057100 /nfs/dbraw/zinc/05/71/00/608057100.db2.gz FAFQIHNIKMLKAJ-UHFFFAOYSA-N -1 3 362.389 3.226 20 30 FGEDHM CCC(Cc1ccc(OC)c(OC)c1)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000825126934 608109977 /nfs/dbraw/zinc/10/99/77/608109977.db2.gz KGLUMTMPYTXOET-UHFFFAOYSA-N -1 3 366.425 3.305 20 30 FGEDHM CCC(Cc1ccc(OC)c(OC)c1)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000825126934 608109978 /nfs/dbraw/zinc/10/99/78/608109978.db2.gz KGLUMTMPYTXOET-UHFFFAOYSA-N -1 3 366.425 3.305 20 30 FGEDHM COc1nc2ccccc2cc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826221707 608121683 /nfs/dbraw/zinc/12/16/83/608121683.db2.gz REBZXZCMUZQAOK-KHPPLWFESA-N -1 3 357.373 3.320 20 30 FGEDHM COc1nc2ccccc2cc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826221707 608121684 /nfs/dbraw/zinc/12/16/84/608121684.db2.gz REBZXZCMUZQAOK-KHPPLWFESA-N -1 3 357.373 3.320 20 30 FGEDHM COc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000826169565 608367708 /nfs/dbraw/zinc/36/77/08/608367708.db2.gz XAWFCITULCRSHR-MOPGFXCFSA-N -1 3 374.448 3.147 20 30 FGEDHM N#Cc1cccc(COc2ccc(Br)cc2-c2nnn[n-]2)c1F ZINC000826386452 608400138 /nfs/dbraw/zinc/40/01/38/608400138.db2.gz FYTNEJRZRUVISJ-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM N#Cc1cccc(COc2ccc(Br)cc2-c2nn[n-]n2)c1F ZINC000826386452 608400140 /nfs/dbraw/zinc/40/01/40/608400140.db2.gz FYTNEJRZRUVISJ-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM CCOc1ccccc1C(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000825654377 608542323 /nfs/dbraw/zinc/54/23/23/608542323.db2.gz ZGKFOHXHNDNPIX-UHFFFAOYSA-N -1 3 357.805 3.150 20 30 FGEDHM CCOc1ccccc1C(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000825654377 608542325 /nfs/dbraw/zinc/54/23/25/608542325.db2.gz ZGKFOHXHNDNPIX-UHFFFAOYSA-N -1 3 357.805 3.150 20 30 FGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CCO2 ZINC000826294155 608877379 /nfs/dbraw/zinc/87/73/79/608877379.db2.gz KFHFDWOPCSQPPM-UKTHLTGXSA-N -1 3 350.353 3.363 20 30 FGEDHM Cc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)CCO2 ZINC000826294155 608877381 /nfs/dbraw/zinc/87/73/81/608877381.db2.gz KFHFDWOPCSQPPM-UKTHLTGXSA-N -1 3 350.353 3.363 20 30 FGEDHM CCc1cc(-c2nnn[n-]2)c(NC(=O)c2ccc(C3(C#N)CC3)cc2)s1 ZINC000825694319 609175784 /nfs/dbraw/zinc/17/57/84/609175784.db2.gz NTHKVELYGFOKMP-UHFFFAOYSA-N -1 3 364.434 3.298 20 30 FGEDHM CCc1cc(-c2nn[n-]n2)c(NC(=O)c2ccc(C3(C#N)CC3)cc2)s1 ZINC000825694319 609175785 /nfs/dbraw/zinc/17/57/85/609175785.db2.gz NTHKVELYGFOKMP-UHFFFAOYSA-N -1 3 364.434 3.298 20 30 FGEDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000825626023 609180373 /nfs/dbraw/zinc/18/03/73/609180373.db2.gz FTKQISKVYBPOFW-UHFFFAOYSA-N -1 3 374.404 3.073 20 30 FGEDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000825626023 609180375 /nfs/dbraw/zinc/18/03/75/609180375.db2.gz FTKQISKVYBPOFW-UHFFFAOYSA-N -1 3 374.404 3.073 20 30 FGEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000826286304 609269784 /nfs/dbraw/zinc/26/97/84/609269784.db2.gz XWACJHABYKZQCS-QPJJXVBHSA-N -1 3 353.313 3.119 20 30 FGEDHM Cc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000826286304 609269785 /nfs/dbraw/zinc/26/97/85/609269785.db2.gz XWACJHABYKZQCS-QPJJXVBHSA-N -1 3 353.313 3.119 20 30 FGEDHM CCCn1nc(C)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000825361102 609271870 /nfs/dbraw/zinc/27/18/70/609271870.db2.gz BXSZYVDQJHIPAF-BQYQJAHWSA-N -1 3 354.389 3.125 20 30 FGEDHM CCCn1nc(C)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c1C ZINC000825361102 609271871 /nfs/dbraw/zinc/27/18/71/609271871.db2.gz BXSZYVDQJHIPAF-BQYQJAHWSA-N -1 3 354.389 3.125 20 30 FGEDHM CC(=NNCc1cccc2cccnc21)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953477 609275369 /nfs/dbraw/zinc/27/53/69/609275369.db2.gz BWUBBEUEZJXQNJ-UHFFFAOYSA-N -1 3 361.384 3.068 20 30 FGEDHM CC(=NNCc1cccc2cccnc21)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953477 609275370 /nfs/dbraw/zinc/27/53/70/609275370.db2.gz BWUBBEUEZJXQNJ-UHFFFAOYSA-N -1 3 361.384 3.068 20 30 FGEDHM C[C@@H](Nc1ccn(-c2cccc(F)c2C#N)n1)c1cccc(-c2nnn[n-]2)c1 ZINC000824662113 609351258 /nfs/dbraw/zinc/35/12/58/609351258.db2.gz CSQNLOZVNSRYOE-GFCCVEGCSA-N -1 3 374.383 3.236 20 30 FGEDHM C[C@@H](Nc1ccn(-c2cccc(F)c2C#N)n1)c1cccc(-c2nn[n-]n2)c1 ZINC000824662113 609351261 /nfs/dbraw/zinc/35/12/61/609351261.db2.gz CSQNLOZVNSRYOE-GFCCVEGCSA-N -1 3 374.383 3.236 20 30 FGEDHM Clc1cc(NN=Cc2cnn(-c3ccccc3)c2)ccc1-c1nnn[n-]1 ZINC000826351501 609471725 /nfs/dbraw/zinc/47/17/25/609471725.db2.gz OXKYTCGZUOTNDA-UHFFFAOYSA-N -1 3 364.800 3.152 20 30 FGEDHM Clc1cc(NN=Cc2cnn(-c3ccccc3)c2)ccc1-c1nn[n-]n1 ZINC000826351501 609471727 /nfs/dbraw/zinc/47/17/27/609471727.db2.gz OXKYTCGZUOTNDA-UHFFFAOYSA-N -1 3 364.800 3.152 20 30 FGEDHM COc1cccc2c1CCC2=NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826217742 609474302 /nfs/dbraw/zinc/47/43/02/609474302.db2.gz ABWFYEVAGVCSQS-UHFFFAOYSA-N -1 3 354.801 3.291 20 30 FGEDHM COc1cccc2c1CCC2=NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826217742 609474304 /nfs/dbraw/zinc/47/43/04/609474304.db2.gz ABWFYEVAGVCSQS-UHFFFAOYSA-N -1 3 354.801 3.291 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC000823909364 609540062 /nfs/dbraw/zinc/54/00/62/609540062.db2.gz AIUCYXPJCVVFSK-HUUCEWRRSA-N -1 3 353.470 3.454 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC000823909364 609540063 /nfs/dbraw/zinc/54/00/63/609540063.db2.gz AIUCYXPJCVVFSK-HUUCEWRRSA-N -1 3 353.470 3.454 20 30 FGEDHM CCn1cc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)cn1 ZINC000114618144 700580714 /nfs/dbraw/zinc/58/07/14/700580714.db2.gz HIZOYFNXDVDURE-LLVKDONJSA-N -1 3 351.193 3.171 20 30 FGEDHM CC(C)Oc1cccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000178980766 705683985 /nfs/dbraw/zinc/68/39/85/705683985.db2.gz FTBWBVRTSUODJF-CQSZACIVSA-N -1 3 357.797 3.483 20 30 FGEDHM C#C[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(C)C ZINC000302251753 713783012 /nfs/dbraw/zinc/78/30/12/713783012.db2.gz AIBFHVBEGXJWKJ-NSHDSACASA-N -1 3 350.665 3.039 20 30 FGEDHM CC(=O)Nc1nc(C(=O)[N-]c2sc3c(c2C#N)CC[C@@H](C)C3)cs1 ZINC000525116121 714320794 /nfs/dbraw/zinc/32/07/94/714320794.db2.gz NACNUDPFSBWIKM-MRVPVSSYSA-N -1 3 360.464 3.412 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C(C)(C)C)C(F)(F)F ZINC000525171294 714325816 /nfs/dbraw/zinc/32/58/16/714325816.db2.gz IWCNAHUYJOJEOB-HNNXBMFYSA-N -1 3 357.376 3.302 20 30 FGEDHM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(C#N)c(Cl)c1 ZINC000619780963 714870532 /nfs/dbraw/zinc/87/05/32/714870532.db2.gz MLGGWVXMCGCWFN-UHFFFAOYSA-N -1 3 358.829 3.243 20 30 FGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)sc2nccn12 ZINC000780306242 724457250 /nfs/dbraw/zinc/45/72/50/724457250.db2.gz SPNISDSUIWHQET-SNVBAGLBSA-N -1 3 358.810 3.319 20 30 FGEDHM C#C[C@@H](NC(=O)c1nnc2ccccc2c1[O-])c1ccc(Cl)cc1F ZINC000804421448 724514795 /nfs/dbraw/zinc/51/47/95/724514795.db2.gz XSUYBDBQDHIMDR-CQSZACIVSA-N -1 3 355.756 3.232 20 30 FGEDHM C=CCCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F ZINC000660143705 719996937 /nfs/dbraw/zinc/99/69/37/719996937.db2.gz WWMNXYCBHKAGDO-UHFFFAOYSA-N -1 3 362.854 3.461 20 30 FGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1c(Br)cnn1C ZINC000782323761 724653424 /nfs/dbraw/zinc/65/34/24/724653424.db2.gz QNQYVJIMVHYKCK-BJMRUTCWSA-N -1 3 351.175 3.411 20 30 FGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cc(Br)nn1C ZINC000782324236 724653661 /nfs/dbraw/zinc/65/36/61/724653661.db2.gz XYLULXYWGAKAGW-JGESFRBXSA-N -1 3 351.175 3.411 20 30 FGEDHM COc1cc(C=Nn2cnnc2-c2ccccc2)cc(Br)c1[O-] ZINC000725856375 722425006 /nfs/dbraw/zinc/42/50/06/722425006.db2.gz JKIRBCBHOAMLNM-UHFFFAOYSA-N -1 3 373.210 3.304 20 30 FGEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1csc(-c2cccs2)n1 ZINC000728429673 722451666 /nfs/dbraw/zinc/45/16/66/722451666.db2.gz LZMGMVONVNGRMG-UHFFFAOYSA-N -1 3 363.489 3.325 20 30 FGEDHM COc1cc(C=NNc2cccc(C(F)(F)F)n2)c([N+](=O)[O-])cc1[O-] ZINC000739421077 722532945 /nfs/dbraw/zinc/53/29/45/722532945.db2.gz CKGMMYNVLHKHOQ-UHFFFAOYSA-N -1 3 356.260 3.169 20 30 FGEDHM C#CCCCC[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000755122614 722950427 /nfs/dbraw/zinc/95/04/27/722950427.db2.gz UTYYWFZEBCIMBA-UHFFFAOYSA-N -1 3 350.665 3.184 20 30 FGEDHM [O-]c1ccc(C=NNC(=S)Nc2ccc(SC(F)F)cc2)nc1 ZINC000755512137 722954084 /nfs/dbraw/zinc/95/40/84/722954084.db2.gz APFBOLFKWZBEOE-UHFFFAOYSA-N -1 3 354.407 3.422 20 30 FGEDHM [O-]c1ccc(F)cc1C=NN1C(=S)N=NC1COc1ccc(F)cc1 ZINC000755629317 722955164 /nfs/dbraw/zinc/95/51/64/722955164.db2.gz RLEFTVHXWJINNS-UHFFFAOYSA-N -1 3 362.361 3.012 20 30 FGEDHM [O-]c1c(O)cc(CN=Nc2nncc3ccccc32)cc1Br ZINC000757560698 722976999 /nfs/dbraw/zinc/97/69/99/722976999.db2.gz IEBHIOCRWKHHQO-UHFFFAOYSA-N -1 3 359.183 3.250 20 30 FGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1c(C)ccnc1Br ZINC000789735653 723069739 /nfs/dbraw/zinc/06/97/39/723069739.db2.gz PBHANWUXTFANTN-UHFFFAOYSA-N -1 3 366.240 3.133 20 30 FGEDHM COc1ccc(CNN=Cc2ccc(OC)c([O-])c2Br)cc1 ZINC000761013810 723113093 /nfs/dbraw/zinc/11/30/93/723113093.db2.gz UGYRTNFHYCBPCY-UHFFFAOYSA-N -1 3 365.227 3.296 20 30 FGEDHM COc1cc(C=NNCCc2ccccc2F)cc(Br)c1[O-] ZINC000764721754 723439846 /nfs/dbraw/zinc/43/98/46/723439846.db2.gz IPIPVUKSSCISMA-UHFFFAOYSA-N -1 3 367.218 3.469 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2Cl)cc1F ZINC000794042569 723486052 /nfs/dbraw/zinc/48/60/52/723486052.db2.gz NRHIFONBVXMYBA-UHFFFAOYSA-N -1 3 355.734 3.060 20 30 FGEDHM C=C[C@@H](CC)OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000796813642 723655826 /nfs/dbraw/zinc/65/58/26/723655826.db2.gz YALGDGVVJFWHCZ-LBPRGKRZSA-N -1 3 351.346 3.198 20 30 FGEDHM COC(=O)CN(Cc1cccc(C#N)c1F)Cc1cc(Cl)ccc1[O-] ZINC000774680167 723919306 /nfs/dbraw/zinc/91/93/06/723919306.db2.gz BFOOMVXKJYMOSY-UHFFFAOYSA-N -1 3 362.788 3.232 20 30 FGEDHM COc1cc(C=NNc2ccc(Cl)c(OC)c2)c([N+](=O)[O-])cc1[O-] ZINC000788468296 725065988 /nfs/dbraw/zinc/06/59/88/725065988.db2.gz RKINMQJSDDUWOQ-UHFFFAOYSA-N -1 3 351.746 3.417 20 30 FGEDHM CCOC(=O)c1sc([N-]C(=O)c2occ3c2CCOC3)c(C#N)c1C ZINC000807950928 725176703 /nfs/dbraw/zinc/17/67/03/725176703.db2.gz ZEQQQNPTVZABMR-UHFFFAOYSA-N -1 3 360.391 3.023 20 30 FGEDHM N#CC1(OCCOC(=O)c2cc3cc(Cl)sc3[n-]2)CCOCC1 ZINC000810879665 725332670 /nfs/dbraw/zinc/33/26/70/725332670.db2.gz CMURQQJLGQHPBB-UHFFFAOYSA-N -1 3 354.815 3.129 20 30 FGEDHM Cn1nc(C(F)(F)F)c(COC(=O)c2cc([O-])cc(C#N)c2)c1Cl ZINC000811185242 725349619 /nfs/dbraw/zinc/34/96/19/725349619.db2.gz ZSAXGYXBLSRKRG-UHFFFAOYSA-N -1 3 359.691 3.027 20 30 FGEDHM CCCCCCCCNC(=O)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811897963 725384316 /nfs/dbraw/zinc/38/43/16/725384316.db2.gz KFVNUGFBEYSCGY-AWEZNQCLSA-N -1 3 365.440 3.447 20 30 FGEDHM CC(=NOCCOC(C)C)c1c[n-]c2ccc(Br)cc2c1=O ZINC000812238565 725391388 /nfs/dbraw/zinc/39/13/88/725391388.db2.gz AAQUWAHQKBIKRU-UHFFFAOYSA-N -1 3 367.243 3.456 20 30 FGEDHM Cc1sccc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000814741595 726996672 /nfs/dbraw/zinc/99/66/72/726996672.db2.gz HULPXVCUONUDFM-CQSZACIVSA-N -1 3 358.448 3.331 20 30 FGEDHM Cn1ncc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)c1Cl ZINC000814767807 726998248 /nfs/dbraw/zinc/99/82/48/726998248.db2.gz VTDNJWBBYQPSNK-UHFFFAOYSA-N -1 3 364.887 3.128 20 30 FGEDHM C#CC[C@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000826732661 729413493 /nfs/dbraw/zinc/41/34/93/729413493.db2.gz OHANAPTYZQQYGT-LBPRGKRZSA-N -1 3 351.244 3.100 20 30 FGEDHM Cc1[nH]c(C#N)cc1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000838077663 730088564 /nfs/dbraw/zinc/08/85/64/730088564.db2.gz FKWZJOJQHJMWLC-VIFPVBQESA-N -1 3 356.407 3.440 20 30 FGEDHM Cc1cc([O-])c(CN[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(Cl)c1 ZINC000840940119 730194402 /nfs/dbraw/zinc/19/44/02/730194402.db2.gz VPHOYGKWGUOTBF-IUODEOHRSA-N -1 3 365.861 3.203 20 30 FGEDHM C#CCCCN1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852502260 731593999 /nfs/dbraw/zinc/59/39/99/731593999.db2.gz DDNUMAVUKTXUOI-HOTGVXAUSA-N -1 3 356.363 3.076 20 30 FGEDHM CN1CCCc2cc([N-]S(=O)(=O)c3ccc(CCC#N)cc3)ccc21 ZINC000886395876 739254609 /nfs/dbraw/zinc/25/46/09/739254609.db2.gz PSPJQNUKTGMWMQ-UHFFFAOYSA-N -1 3 355.463 3.326 20 30 FGEDHM CCOC(=O)[C@H](C[C@@H]1CCCO1)/N=C\c1cc(Br)ccc1[O-] ZINC000887272544 739351855 /nfs/dbraw/zinc/35/18/55/739351855.db2.gz PDOGJIPZCJCIGM-FYFVVDILSA-N -1 3 370.243 3.074 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H]2CC2(Cl)Cl)no1 ZINC000896795266 742598955 /nfs/dbraw/zinc/59/89/55/742598955.db2.gz AMUDSRWMHSQHBH-LLVKDONJSA-N -1 3 353.209 3.105 20 30 FGEDHM O=C([C@H]1CCCN(C(=O)C2CC2)C1)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000900097017 743063516 /nfs/dbraw/zinc/06/35/16/743063516.db2.gz YKQOGXZYJBMXCH-ZDUSSCGKSA-N -1 3 371.264 3.360 20 30 FGEDHM C[C@@H](NC(=O)c1ccoc1)C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1 ZINC000901379702 743263903 /nfs/dbraw/zinc/26/39/03/743263903.db2.gz CJIQMMMKAXEZSY-SECBINFHSA-N -1 3 357.193 3.123 20 30 FGEDHM C[C@@H](NCC1(C#N)CC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000903106458 743805561 /nfs/dbraw/zinc/80/55/61/743805561.db2.gz QRXVKRYDRDEYQB-OAHLLOKOSA-N -1 3 355.463 3.442 20 30 FGEDHM C=CCOC(=O)c1sc2[n-]c([C@H]3CC3(Cl)Cl)nc(=O)c2c1C ZINC000905030149 743989253 /nfs/dbraw/zinc/98/92/53/743989253.db2.gz VCNRHJJCFFTWCO-SSDOTTSWSA-N -1 3 359.234 3.297 20 30 FGEDHM CC(C)(C)c1csc([N-]C(=O)c2coc3c2C(=O)NCCC3)c1C#N ZINC000905769917 744054408 /nfs/dbraw/zinc/05/44/08/744054408.db2.gz FOLCNOIAOSLPQH-UHFFFAOYSA-N -1 3 357.435 3.439 20 30 FGEDHM COc1cc(C=NNC(=S)N[C@@H]2CCCC[C@@H]2C)cc(Cl)c1[O-] ZINC000916276137 758061591 /nfs/dbraw/zinc/06/15/91/758061591.db2.gz MLAPGAGXBCFMJF-GXFFZTMASA-N -1 3 355.891 3.431 20 30 FGEDHM C[C@H](/N=C\c1cc(Br)ccc1[O-])C(=O)NCc1ccccc1 ZINC000920174462 758520865 /nfs/dbraw/zinc/52/08/65/758520865.db2.gz NCSJTMFABJPNEN-XHEYCZLTSA-N -1 3 361.239 3.279 20 30 FGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(Br)cc1 ZINC000920386861 758547839 /nfs/dbraw/zinc/54/78/39/758547839.db2.gz HHTFVQNOBZTHFC-UHFFFAOYSA-N -1 3 367.268 3.293 20 30 FGEDHM Cc1ncc(CO)c(/C=N/[C@@H](C)Cc2cccc(Br)c2)c1[O-] ZINC000920479732 758558977 /nfs/dbraw/zinc/55/89/77/758558977.db2.gz RDMPJPFLQSJQJF-LOMXTUQMSA-N -1 3 363.255 3.401 20 30 FGEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)Cc2cccc(Br)c2)c1[O-] ZINC000920479730 758559174 /nfs/dbraw/zinc/55/91/74/758559174.db2.gz RDMPJPFLQSJQJF-FBRGWYAUSA-N -1 3 363.255 3.401 20 30 FGEDHM Cc1ncc(CO)c(/C=N\[C@H](C)Cc2cccc(Br)c2)c1[O-] ZINC000920479727 758559415 /nfs/dbraw/zinc/55/94/15/758559415.db2.gz RDMPJPFLQSJQJF-CZPFXKHOSA-N -1 3 363.255 3.401 20 30 FGEDHM N#Cc1cccc(S(=O)(=O)[N-][C@]2(C(F)(F)F)CCc3ccccc32)c1 ZINC000546880772 503913684 /nfs/dbraw/zinc/91/36/84/503913684.db2.gz LZYSHQBDTGPTQC-MRXNPFEDSA-N -1 3 366.364 3.241 20 30 FGEDHM CO[C@@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000576712355 505576891 /nfs/dbraw/zinc/57/68/91/505576891.db2.gz KUBORWRIGFYSJU-IUODEOHRSA-N -1 3 356.875 3.029 20 30 FGEDHM C=CCN(C(=O)c1cc(=O)[n-]c(C2CC2)n1)c1nc2c(s1)CCCC2 ZINC000576956180 505633319 /nfs/dbraw/zinc/63/33/19/505633319.db2.gz ZJDCSEXEDYWVRC-UHFFFAOYSA-N -1 3 356.451 3.228 20 30 FGEDHM Cc1cccc2sc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)nc21 ZINC000007286650 494013166 /nfs/dbraw/zinc/01/31/66/494013166.db2.gz ZJWJGXDJMUQOMY-UHFFFAOYSA-N -1 3 366.446 3.353 20 30 FGEDHM C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)o1 ZINC000568469693 505701489 /nfs/dbraw/zinc/70/14/89/505701489.db2.gz UGDRJADHKQHMFN-PWSUYJOCSA-N -1 3 350.827 3.407 20 30 FGEDHM C=CCCCN(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000077724963 494158413 /nfs/dbraw/zinc/15/84/13/494158413.db2.gz OCHCRYOSKSOJLG-UHFFFAOYSA-N -1 3 371.478 3.332 20 30 FGEDHM CC(=O)NCc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cc1 ZINC000041554516 494167279 /nfs/dbraw/zinc/16/72/79/494167279.db2.gz QYBRRWXVIVJUPG-HNNXBMFYSA-N -1 3 361.323 3.227 20 30 FGEDHM Cc1nn(Cc2ccccc2)c(C)c1C/N=C/c1c([O-])c(C)ncc1CO ZINC000011117492 494170697 /nfs/dbraw/zinc/17/06/97/494170697.db2.gz RBRFHVVSYDWTBL-SSDVNMTOSA-N -1 3 364.449 3.069 20 30 FGEDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1nnc(-c2ccco2)[n-]1 ZINC000066044119 494272028 /nfs/dbraw/zinc/27/20/28/494272028.db2.gz WCRZQTGQRZFNCU-UHFFFAOYSA-N -1 3 352.310 3.216 20 30 FGEDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1nc(-c2ccco2)n[n-]1 ZINC000066044119 494272031 /nfs/dbraw/zinc/27/20/31/494272031.db2.gz WCRZQTGQRZFNCU-UHFFFAOYSA-N -1 3 352.310 3.216 20 30 FGEDHM O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1n[n-]c(-c2ccco2)n1 ZINC000066044119 494272035 /nfs/dbraw/zinc/27/20/35/494272035.db2.gz WCRZQTGQRZFNCU-UHFFFAOYSA-N -1 3 352.310 3.216 20 30 FGEDHM Cc1ccc(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)s1 ZINC000056078989 494450756 /nfs/dbraw/zinc/45/07/56/494450756.db2.gz YQFLFUJKCVOJES-UHFFFAOYSA-N -1 3 360.382 3.426 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N([C@H](C)c1ccco1)C1CC1 ZINC000056182758 494467768 /nfs/dbraw/zinc/46/77/68/494467768.db2.gz GWNPGWSUQBMUFQ-CQSZACIVSA-N -1 3 353.422 3.141 20 30 FGEDHM CCc1c(C([O-])=C(C#N)c2ccccn2)nnn1-c1cccc(Cl)c1 ZINC000109184420 494843536 /nfs/dbraw/zinc/84/35/36/494843536.db2.gz WPQJONGKFWWKRI-AWEZNQCLSA-N -1 3 351.797 3.368 20 30 FGEDHM CCC[N-]C(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1cccc([O-])c1 ZINC000027317725 494862053 /nfs/dbraw/zinc/86/20/53/494862053.db2.gz ACETWYIRVOHHAM-UHFFFAOYSA-O -1 3 369.510 3.497 20 30 FGEDHM Cc1csc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C2CC2)n1 ZINC000122273533 494950754 /nfs/dbraw/zinc/95/07/54/494950754.db2.gz CZKTWWXZTJTHKH-AWEZNQCLSA-N -1 3 367.883 3.406 20 30 FGEDHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000122965144 495060772 /nfs/dbraw/zinc/06/07/72/495060772.db2.gz FXMCQVYNWIOUCN-OALUTQOASA-N -1 3 363.417 3.263 20 30 FGEDHM CSc1cccc(N(C)C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000101835597 495101599 /nfs/dbraw/zinc/10/15/99/495101599.db2.gz UFSIVTQYJKWCCF-UHFFFAOYSA-N -1 3 355.463 3.181 20 30 FGEDHM N#Cc1ccc(CSc2nnc([N-]C(=O)c3ccncc3F)s2)cc1 ZINC000123842244 495195863 /nfs/dbraw/zinc/19/58/63/495195863.db2.gz WDHUPCCMTNLGMK-UHFFFAOYSA-N -1 3 371.422 3.488 20 30 FGEDHM CC[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1nccs1 ZINC000120420896 495373775 /nfs/dbraw/zinc/37/37/75/495373775.db2.gz RHDDQXKXAHCESB-CQSZACIVSA-N -1 3 355.872 3.272 20 30 FGEDHM C=C[C@@H]1OCC[C@H]1C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000568859524 505795085 /nfs/dbraw/zinc/79/50/85/505795085.db2.gz IVVHCPZELRROSN-GWCFXTLKSA-N -1 3 357.884 3.424 20 30 FGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1nc(C(C)(C)C)cs1 ZINC000151165040 495758706 /nfs/dbraw/zinc/75/87/06/495758706.db2.gz MFVWGTOAIZFFCQ-SNVBAGLBSA-N -1 3 367.471 3.491 20 30 FGEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(C#N)c1)c1ncc(-c2ccccc2)o1 ZINC000151566358 495881309 /nfs/dbraw/zinc/88/13/09/495881309.db2.gz DSFQSANEZBGSRP-CYBMUJFWSA-N -1 3 353.403 3.253 20 30 FGEDHM Cc1ccc(C(=O)C(C(=S)[N-]C(C)C)[n+]2cc([O-])ccc2F)s1 ZINC000160414444 495958221 /nfs/dbraw/zinc/95/82/21/495958221.db2.gz DPKROYJJONACIL-UHFFFAOYSA-O -1 3 353.464 3.126 20 30 FGEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000160810821 496046722 /nfs/dbraw/zinc/04/67/22/496046722.db2.gz NNXKWVYCRMUDGW-QMMMGPOBSA-N -1 3 371.178 3.048 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCOc3ccc(F)cc32)c(Cl)c1 ZINC000183657444 496065944 /nfs/dbraw/zinc/06/59/44/496065944.db2.gz FRJJSQJJTPUQJU-AWEZNQCLSA-N -1 3 366.801 3.153 20 30 FGEDHM C=CC[C@H](C)NC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000183824621 496128379 /nfs/dbraw/zinc/12/83/79/496128379.db2.gz JBXGCJAMHZNPBC-HNAYVOBHSA-N -1 3 352.434 3.334 20 30 FGEDHM C=C(C)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000161212614 496128656 /nfs/dbraw/zinc/12/86/56/496128656.db2.gz PPVBEZRJWBJYHH-UHFFFAOYSA-N -1 3 364.854 3.447 20 30 FGEDHM C=CCC[C@H](C(=O)NCCCNC(=O)c1cccc([O-])c1)c1ccccc1 ZINC000186862236 496185920 /nfs/dbraw/zinc/18/59/20/496185920.db2.gz NPKNTMXVDFJIIR-FQEVSTJZSA-N -1 3 366.461 3.378 20 30 FGEDHM CC(C)[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1 ZINC000156236602 496194867 /nfs/dbraw/zinc/19/48/67/496194867.db2.gz WTWHVYSXRROSNR-KRWDZBQOSA-N -1 3 359.407 3.142 20 30 FGEDHM Cc1nc(SCC(=O)NCc2ccc([O-])c(F)c2)c(C#N)c(C)c1C ZINC000156299848 496210670 /nfs/dbraw/zinc/21/06/70/496210670.db2.gz LAHUEJYTIYWENV-UHFFFAOYSA-N -1 3 359.426 3.132 20 30 FGEDHM N#CCCN(C(=O)CCC(=O)[N-]OCc1ccc(F)cc1)c1ccccc1 ZINC000184158911 496264256 /nfs/dbraw/zinc/26/42/56/496264256.db2.gz NFKIBENERXHRTO-UHFFFAOYSA-N -1 3 369.396 3.101 20 30 FGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H](c1ccccc1)c1cccnc1 ZINC000178540569 496492701 /nfs/dbraw/zinc/49/27/01/496492701.db2.gz VCFGBVIEPAXZOZ-LJQANCHMSA-N -1 3 367.405 3.160 20 30 FGEDHM 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CC1(C)Cc2ccc(C(=O)N[C@]3(C#N)CCc4ccccc4C3)c([O-])c2O1 ZINC000436910066 501231237 /nfs/dbraw/zinc/23/12/37/501231237.db2.gz BVTVDGNLMCOHQO-JOCHJYFZSA-N -1 3 362.429 3.287 20 30 FGEDHM CC(C)(C)Oc1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1C#N ZINC000451088085 501244704 /nfs/dbraw/zinc/24/47/04/501244704.db2.gz PROUIEQVVFGMLM-HNNXBMFYSA-N -1 3 352.456 3.046 20 30 FGEDHM CC[C@@H](CNc1ccccc1)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000452467412 501506019 /nfs/dbraw/zinc/50/60/19/501506019.db2.gz HNZZWBRFXKBZNV-INIZCTEOSA-N -1 3 366.465 3.215 20 30 FGEDHM C=CCn1c(=O)[n-]nc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000470841714 501826075 /nfs/dbraw/zinc/82/60/75/501826075.db2.gz VLSZWOKGXGHEPZ-UHFFFAOYSA-N -1 3 359.238 3.207 20 30 FGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccc3ccccc3n2)c1 ZINC000475767851 502285755 /nfs/dbraw/zinc/28/57/55/502285755.db2.gz BPWWEYWBJBUTHS-UHFFFAOYSA-N -1 3 357.822 3.238 20 30 FGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2c(F)cccc2F)c1 ZINC000475800558 502295658 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FGEDHM C[C@@H]1CCC[C@@](C#N)(NC(=O)Cc2ccc(Br)cc2[O-])C1 ZINC000477371254 502756807 /nfs/dbraw/zinc/75/68/07/502756807.db2.gz GRJJDKFJJMQTHD-BDJLRTHQSA-N -1 3 351.244 3.286 20 30 FGEDHM C=CCOc1ccc(C[N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 ZINC000509610278 502947407 /nfs/dbraw/zinc/94/74/07/502947407.db2.gz VRGMAKODTUHVCM-UHFFFAOYSA-N -1 3 368.436 3.008 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C(F)(F)F)cc1F ZINC000489628150 503000796 /nfs/dbraw/zinc/00/07/96/503000796.db2.gz YNBDBHORPSHKIN-AWEZNQCLSA-N -1 3 372.343 3.322 20 30 FGEDHM Cc1ccccc1-c1cc(=NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)[nH][n-]1 ZINC000497732144 503027802 /nfs/dbraw/zinc/02/78/02/503027802.db2.gz HZPVFMHEPMMKBE-UHFFFAOYSA-N -1 3 371.322 3.345 20 30 FGEDHM COC(=O)c1cc(C)ccc1S(=O)(=O)[N-]c1ccc(C#N)cc1Cl ZINC000513815894 503029113 /nfs/dbraw/zinc/02/91/13/503029113.db2.gz CXPCKTLINSREQW-UHFFFAOYSA-N -1 3 364.810 3.108 20 30 FGEDHM N#Cc1cnn(-c2ccccc2NC(=O)c2cc3c(cc2[O-])CCCC3)c1N ZINC000588836403 506352263 /nfs/dbraw/zinc/35/22/63/506352263.db2.gz FNHRJULDFZABCR-UHFFFAOYSA-N -1 3 373.416 3.163 20 30 FGEDHM C=CCCOCCCCC(=O)N=c1cc2ccc(Br)cn2[n-]1 ZINC000511314518 503299646 /nfs/dbraw/zinc/29/96/46/503299646.db2.gz JTXDZLMSZHQJHO-UHFFFAOYSA-N -1 3 366.259 3.220 20 30 FGEDHM CCCc1ccc(-c2cc(=NC(=O)COc3ccccc3C#N)[nH][n-]2)cc1 ZINC000515828241 503407819 /nfs/dbraw/zinc/40/78/19/503407819.db2.gz FKDBTRIAISWRPC-UHFFFAOYSA-N -1 3 360.417 3.340 20 30 FGEDHM CC[C@](C)(C#N)C(=O)N=c1cc(-c2cc(F)cc(Br)c2)[n-][nH]1 ZINC000493975101 503469077 /nfs/dbraw/zinc/46/90/77/503469077.db2.gz AREMJHYXXUBHNR-OAHLLOKOSA-N -1 3 365.206 3.279 20 30 FGEDHM C=CCCc1ccccc1NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1 ZINC000504291307 503549842 /nfs/dbraw/zinc/54/98/42/503549842.db2.gz YSZIUOZCVHIPSB-CYBMUJFWSA-N -1 3 364.492 3.172 20 30 FGEDHM N#Cc1ccnc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1Cl ZINC000516917992 503618957 /nfs/dbraw/zinc/61/89/57/503618957.db2.gz BUWIZZLCMBDWJM-UHFFFAOYSA-N -1 3 356.813 3.167 20 30 FGEDHM Cc1cc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)ccc1[O-] ZINC000527114218 503684507 /nfs/dbraw/zinc/68/45/07/503684507.db2.gz PSGPRZRFCQXGEW-UHFFFAOYSA-N -1 3 351.406 3.087 20 30 FGEDHM Cc1cc([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)c2c(n1)CCCC2 ZINC000517891734 503859952 /nfs/dbraw/zinc/85/99/52/503859952.db2.gz ZLCMYHDKDCLJKC-UHFFFAOYSA-N -1 3 361.854 3.017 20 30 FGEDHM Cc1cc(-c2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)cc2[nH]cnc21 ZINC000547142899 503998910 /nfs/dbraw/zinc/99/89/10/503998910.db2.gz HIVSTFFRBAXUME-UHFFFAOYSA-N -1 3 374.404 3.296 20 30 FGEDHM N#Cc1ccc(Oc2ccc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)cc2)nc1 ZINC000518971734 504107338 /nfs/dbraw/zinc/10/73/38/504107338.db2.gz RMRSNVFBBBAKON-UHFFFAOYSA-N -1 3 374.282 3.135 20 30 FGEDHM N#Cc1ccc(Oc2ccc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)cc2)nc1 ZINC000518971734 504107343 /nfs/dbraw/zinc/10/73/43/504107343.db2.gz RMRSNVFBBBAKON-UHFFFAOYSA-N -1 3 374.282 3.135 20 30 FGEDHM Cc1cccc(C)c1[C@H](C)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000544851802 504280341 /nfs/dbraw/zinc/28/03/41/504280341.db2.gz ZRLYKYYUPCKDNS-ZDUSSCGKSA-N -1 3 359.407 3.123 20 30 FGEDHM N#CC(=C([O-])c1cccc(-n2ccc(C(F)(F)F)n2)c1)c1ccncn1 ZINC000546154259 504728654 /nfs/dbraw/zinc/72/86/54/504728654.db2.gz YGHBHRJGAHKYSX-ZDUSSCGKSA-N -1 3 357.295 3.171 20 30 FGEDHM N#Cc1cccc(F)c1CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000556949205 505027842 /nfs/dbraw/zinc/02/78/42/505027842.db2.gz VLBCCDMNOIYMNM-UHFFFAOYSA-N -1 3 363.186 3.024 20 30 FGEDHM Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)cc3C)cc2)n1 ZINC000551456606 505230660 /nfs/dbraw/zinc/23/06/60/505230660.db2.gz MUDGTNUPFYWGSB-UHFFFAOYSA-N -1 3 352.419 3.162 20 30 FGEDHM Cc1c([N-]S(=O)(=O)CCC(C)(C)C#N)cnn1-c1cc(C)ccc1C ZINC000566893664 505303463 /nfs/dbraw/zinc/30/34/63/505303463.db2.gz LFRSXXALKDVARS-UHFFFAOYSA-N -1 3 360.483 3.479 20 30 FGEDHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1nc2c(s1)CCC2 ZINC000567095556 505362729 /nfs/dbraw/zinc/36/27/29/505362729.db2.gz DVSLXDGHJPQXTR-SECBINFHSA-N -1 3 367.883 3.196 20 30 FGEDHM N#Cc1c(F)cc(CNC(=O)c2cc([O-])ccc2C(F)(F)F)cc1F ZINC000552036663 505377635 /nfs/dbraw/zinc/37/76/35/505377635.db2.gz OMOOKYPSFIHFLH-UHFFFAOYSA-N -1 3 356.250 3.491 20 30 FGEDHM Cc1cc([N-]C(=O)[C@@H](C)Nc2ccc(Oc3ccnc(C#N)c3)cc2)on1 ZINC000564559221 505452785 /nfs/dbraw/zinc/45/27/85/505452785.db2.gz NCSNOXNGUYQUNJ-CYBMUJFWSA-N -1 3 363.377 3.481 20 30 FGEDHM CC(C)(C)[C@H]([N-]S(=O)(=O)c1cncc(C#N)c1)c1ccc(F)cc1F ZINC000564688885 505492962 /nfs/dbraw/zinc/49/29/62/505492962.db2.gz MRVMCGVDGWSINU-MRXNPFEDSA-N -1 3 365.405 3.297 20 30 FGEDHM Cc1c([N-]C(=O)c2c(F)cc(C#N)cc2F)c(=O)n(C2CCCCC2)n1C ZINC000603122807 506428712 /nfs/dbraw/zinc/42/87/12/506428712.db2.gz ZAVLLFOKJSPZNA-UHFFFAOYSA-N -1 3 374.391 3.403 20 30 FGEDHM CC(C)C1CCC(N2CCN(C(=O)c3cc([O-])cc(C#N)c3)CC2)CC1 ZINC000589189026 506475652 /nfs/dbraw/zinc/47/56/52/506475652.db2.gz ZFVOJTZHRBGFML-UHFFFAOYSA-N -1 3 355.482 3.236 20 30 FGEDHM N#Cc1cc([O-])cc(C(=O)Nc2ccc(OCCN3CCCCC3)cc2)c1 ZINC000589190180 506477732 /nfs/dbraw/zinc/47/77/32/506477732.db2.gz CUELEEOQCPKCGX-UHFFFAOYSA-N -1 3 365.433 3.381 20 30 FGEDHM CSCC1(Cc2noc(CCc3c(C)[n-]c(=O)c(C#N)c3C)n2)CC1 ZINC000596616196 506491600 /nfs/dbraw/zinc/49/16/00/506491600.db2.gz QCFQXWNIPKINNA-UHFFFAOYSA-N -1 3 358.467 3.130 20 30 FGEDHM O=S(=O)([N-][C@@H](C1CC1)C(F)(F)F)c1ccc(F)c(C(F)(F)F)c1 ZINC000582987035 506525718 /nfs/dbraw/zinc/52/57/18/506525718.db2.gz JBHWUSWZTRWBRG-JTQLQIEISA-N -1 3 365.270 3.464 20 30 FGEDHM C[C@@H]1C[C@H](C)Cc2c(C#N)c([N-]C(=O)c3cn([C@@H]4CCOC4)nn3)sc21 ZINC000583190061 506639595 /nfs/dbraw/zinc/63/95/95/506639595.db2.gz DDTIVVXSYKALKN-QJPTWQEYSA-N -1 3 371.466 3.111 20 30 FGEDHM N#Cc1cccc(OCCCCC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1 ZINC000590558049 506859324 /nfs/dbraw/zinc/85/93/24/506859324.db2.gz MBPKHAKQSUBTQR-UHFFFAOYSA-N -1 3 350.378 3.328 20 30 FGEDHM C[C@H]1Oc2c(cccc2C([O-])=C(C#N)c2ccc3ccccc3n2)NC1=O ZINC000591020090 507080502 /nfs/dbraw/zinc/08/05/02/507080502.db2.gz QCHSJZZLMTWPHO-IUODEOHRSA-N -1 3 357.369 3.444 20 30 FGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3ccc(C)c(S(C)(=O)=O)c3)nc21 ZINC000605363472 507160926 /nfs/dbraw/zinc/16/09/26/507160926.db2.gz BNONZLJIYMGQFK-CQSZACIVSA-N -1 3 367.430 3.073 20 30 FGEDHM Cc1cccc2nc(C(C#N)=C([O-])c3ccc(C)c(S(C)(=O)=O)c3)[nH]c21 ZINC000605363472 507160928 /nfs/dbraw/zinc/16/09/28/507160928.db2.gz BNONZLJIYMGQFK-CQSZACIVSA-N -1 3 367.430 3.073 20 30 FGEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)F ZINC000591498782 507272097 /nfs/dbraw/zinc/27/20/97/507272097.db2.gz YMEGQXZKZDKAMT-JTQLQIEISA-N -1 3 352.790 3.158 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-]C1C[C@H](C)O[C@@H](C)C1 ZINC000594768901 507273541 /nfs/dbraw/zinc/27/35/41/507273541.db2.gz XTEQZDWALULHKP-QWRGUYRKSA-N -1 3 364.492 3.316 20 30 FGEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000592046887 507464578 /nfs/dbraw/zinc/46/45/78/507464578.db2.gz ZWYCOKDOEIZGKP-VIFPVBQESA-N -1 3 356.753 3.209 20 30 FGEDHM CC(C)C[C@@H](C#N)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000611113642 507520730 /nfs/dbraw/zinc/52/07/30/507520730.db2.gz CIVJDJPIOKDLGT-JTQLQIEISA-N -1 3 365.680 3.319 20 30 FGEDHM Cc1cc(=O)[n-]c(C(C)(C)NCc2cc(C#N)ccc2Br)n1 ZINC000595526135 507545438 /nfs/dbraw/zinc/54/54/38/507545438.db2.gz KBPRPWBZGQGYEJ-UHFFFAOYSA-N -1 3 361.243 3.150 20 30 FGEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000592383042 507629945 /nfs/dbraw/zinc/62/99/45/507629945.db2.gz AWXCDFPAKJIVQH-SECBINFHSA-N -1 3 356.753 3.065 20 30 FGEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3cccc4nn[n-]c43)cn2)cc1 ZINC000615113810 507758024 /nfs/dbraw/zinc/75/80/24/507758024.db2.gz PRYKPOVGBJTGOL-UHFFFAOYSA-N -1 3 356.345 3.269 20 30 FGEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3cccc4[n-]nnc43)cn2)cc1 ZINC000615113810 507758032 /nfs/dbraw/zinc/75/80/32/507758032.db2.gz PRYKPOVGBJTGOL-UHFFFAOYSA-N -1 3 356.345 3.269 20 30 FGEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3cccc4n[n-]nc43)cn2)cc1 ZINC000615113810 507758037 /nfs/dbraw/zinc/75/80/37/507758037.db2.gz PRYKPOVGBJTGOL-UHFFFAOYSA-N -1 3 356.345 3.269 20 30 FGEDHM CC(C)COc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000735843879 598915084 /nfs/dbraw/zinc/91/50/84/598915084.db2.gz CTYQNUHMKQKYCZ-UHFFFAOYSA-N -1 3 362.393 3.025 20 30 FGEDHM CC(C)COc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000735843879 598915085 /nfs/dbraw/zinc/91/50/85/598915085.db2.gz CTYQNUHMKQKYCZ-UHFFFAOYSA-N -1 3 362.393 3.025 20 30 FGEDHM N#Cc1cc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1-c1nnn[n-]1 ZINC000737706093 598923594 /nfs/dbraw/zinc/92/35/94/598923594.db2.gz VWRULFKANBUCMX-ONGXEEELSA-N -1 3 364.331 3.046 20 30 FGEDHM N#Cc1cc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1-c1nn[n-]n1 ZINC000737706093 598923596 /nfs/dbraw/zinc/92/35/96/598923596.db2.gz VWRULFKANBUCMX-ONGXEEELSA-N -1 3 364.331 3.046 20 30 FGEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cccc(-c2cccnc2)c1 ZINC000819718584 607253561 /nfs/dbraw/zinc/25/35/61/607253561.db2.gz KSEHDAANIJDCOG-UHFFFAOYSA-N -1 3 355.405 3.052 20 30 FGEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cccc(-c2cccnc2)c1 ZINC000819718584 607253562 /nfs/dbraw/zinc/25/35/62/607253562.db2.gz KSEHDAANIJDCOG-UHFFFAOYSA-N -1 3 355.405 3.052 20 30 FGEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1F ZINC000821786834 599113080 /nfs/dbraw/zinc/11/30/80/599113080.db2.gz KIFVHHCCECZMQI-JYRVWZFOSA-N -1 3 350.353 3.227 20 30 FGEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1F ZINC000821786834 599113082 /nfs/dbraw/zinc/11/30/82/599113082.db2.gz KIFVHHCCECZMQI-JYRVWZFOSA-N -1 3 350.353 3.227 20 30 FGEDHM C#CCCCOC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735375733 599151890 /nfs/dbraw/zinc/15/18/90/599151890.db2.gz QJXVFLCSFHLCRQ-UHFFFAOYSA-N -1 3 362.389 3.016 20 30 FGEDHM C#CCCCOC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735375733 599151893 /nfs/dbraw/zinc/15/18/93/599151893.db2.gz QJXVFLCSFHLCRQ-UHFFFAOYSA-N -1 3 362.389 3.016 20 30 FGEDHM C#CCCCOC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735375992 599151915 /nfs/dbraw/zinc/15/19/15/599151915.db2.gz VTZWKYIZVCAWNB-UHFFFAOYSA-N -1 3 362.389 3.016 20 30 FGEDHM COc1ccc(C=CC(=O)c2ccc(C)cc2OC)cc1-c1nnn[n-]1 ZINC000737039853 599152326 /nfs/dbraw/zinc/15/23/26/599152326.db2.gz LGPODAFXFYVWSF-YVMONPNESA-N -1 3 350.378 3.088 20 30 FGEDHM COc1ccc(C=CC(=O)c2ccc(C)cc2OC)cc1-c1nn[n-]n1 ZINC000737039853 599152328 /nfs/dbraw/zinc/15/23/28/599152328.db2.gz LGPODAFXFYVWSF-YVMONPNESA-N -1 3 350.378 3.088 20 30 FGEDHM COc1ccc(C=C2CCOc3ccc(C)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737085081 599154277 /nfs/dbraw/zinc/15/42/77/599154277.db2.gz YAQKINOCOBPIOB-UVTDQMKNSA-N -1 3 362.389 3.233 20 30 FGEDHM COc1ccc(C=C2CCOc3ccc(C)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737085081 599154279 /nfs/dbraw/zinc/15/42/79/599154279.db2.gz YAQKINOCOBPIOB-UVTDQMKNSA-N -1 3 362.389 3.233 20 30 FGEDHM CCc1ccc([C@@H](C)CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736692182 599192238 /nfs/dbraw/zinc/19/22/38/599192238.db2.gz ZWLSWQPRBIVIDE-ZDUSSCGKSA-N -1 3 360.421 3.433 20 30 FGEDHM CCc1ccc([C@@H](C)CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736692182 599192241 /nfs/dbraw/zinc/19/22/41/599192241.db2.gz ZWLSWQPRBIVIDE-ZDUSSCGKSA-N -1 3 360.421 3.433 20 30 FGEDHM C=CCOc1ccc(OC(=O)CSc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819758651 599203469 /nfs/dbraw/zinc/20/34/69/599203469.db2.gz DERICASVFQMVOZ-UHFFFAOYSA-N -1 3 368.418 3.129 20 30 FGEDHM C=CCOc1ccc(OC(=O)CSc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819758651 599203470 /nfs/dbraw/zinc/20/34/70/599203470.db2.gz DERICASVFQMVOZ-UHFFFAOYSA-N -1 3 368.418 3.129 20 30 FGEDHM C(=NNC1CCCC1)c1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735397966 598494203 /nfs/dbraw/zinc/49/42/03/598494203.db2.gz DEQSXPLUFDENBM-UHFFFAOYSA-N -1 3 362.437 3.312 20 30 FGEDHM C(=NNC1CCCC1)c1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735397966 598494205 /nfs/dbraw/zinc/49/42/05/598494205.db2.gz DEQSXPLUFDENBM-UHFFFAOYSA-N -1 3 362.437 3.312 20 30 FGEDHM N#CCCSc1ccccc1NC(=O)c1sccc1-c1nnn[n-]1 ZINC000737695965 598495400 /nfs/dbraw/zinc/49/54/00/598495400.db2.gz XXINSYBFMWFKQS-UHFFFAOYSA-N -1 3 356.436 3.186 20 30 FGEDHM N#CCCSc1ccccc1NC(=O)c1sccc1-c1nn[n-]n1 ZINC000737695965 598495402 /nfs/dbraw/zinc/49/54/02/598495402.db2.gz XXINSYBFMWFKQS-UHFFFAOYSA-N -1 3 356.436 3.186 20 30 FGEDHM COc1cc(C)c(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000737039473 598547142 /nfs/dbraw/zinc/54/71/42/598547142.db2.gz FGWKRLWYZIDKRJ-BQYQJAHWSA-N -1 3 350.378 3.088 20 30 FGEDHM COc1cc(C)c(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000737039473 598547144 /nfs/dbraw/zinc/54/71/44/598547144.db2.gz FGWKRLWYZIDKRJ-BQYQJAHWSA-N -1 3 350.378 3.088 20 30 FGEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1nccs1 ZINC000735450842 598751317 /nfs/dbraw/zinc/75/13/17/598751317.db2.gz FXMFMFDOUXFUMV-UHFFFAOYSA-N -1 3 353.333 3.178 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1nccs1 ZINC000735450842 598751319 /nfs/dbraw/zinc/75/13/19/598751319.db2.gz FXMFMFDOUXFUMV-UHFFFAOYSA-N -1 3 353.333 3.178 20 30 FGEDHM COc1ccc(-c2nnn[n-]2)cc1CNc1cc(C#N)ccc1OC(C)C ZINC000821731476 607370631 /nfs/dbraw/zinc/37/06/31/607370631.db2.gz DQHWBSLBFOAQFQ-UHFFFAOYSA-N -1 3 364.409 3.146 20 30 FGEDHM COc1ccc(-c2nn[n-]n2)cc1CNc1cc(C#N)ccc1OC(C)C ZINC000821731476 607370633 /nfs/dbraw/zinc/37/06/33/607370633.db2.gz DQHWBSLBFOAQFQ-UHFFFAOYSA-N -1 3 364.409 3.146 20 30 FGEDHM CC(C)Oc1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)cc1C#N ZINC000820173539 607372205 /nfs/dbraw/zinc/37/22/05/607372205.db2.gz GUJRCOQZSUSFCN-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM CC(C)Oc1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)cc1C#N ZINC000820173539 607372206 /nfs/dbraw/zinc/37/22/06/607372206.db2.gz GUJRCOQZSUSFCN-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(F)c(Cl)c1 ZINC000737805081 599464219 /nfs/dbraw/zinc/46/42/19/599464219.db2.gz GDZLOWHGEJJHBK-HYXAFXHYSA-N -1 3 368.759 3.203 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(F)c(Cl)c1 ZINC000737805081 599464220 /nfs/dbraw/zinc/46/42/20/599464220.db2.gz GDZLOWHGEJJHBK-HYXAFXHYSA-N -1 3 368.759 3.203 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCC#Cc1ccc(Cl)cc1 ZINC000826251291 607384706 /nfs/dbraw/zinc/38/47/06/607384706.db2.gz LDEGNJUMFVRLGA-UHFFFAOYSA-N -1 3 352.781 3.037 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCC#Cc1ccc(Cl)cc1 ZINC000826251291 607384708 /nfs/dbraw/zinc/38/47/08/607384708.db2.gz LDEGNJUMFVRLGA-UHFFFAOYSA-N -1 3 352.781 3.037 20 30 FGEDHM C=C(C)CCOC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000819723113 599626613 /nfs/dbraw/zinc/62/66/13/599626613.db2.gz ZGXZIRVZMNGEBW-UHFFFAOYSA-N -1 3 351.366 3.177 20 30 FGEDHM C=C(C)CCOC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000819723113 599626614 /nfs/dbraw/zinc/62/66/14/599626614.db2.gz ZGXZIRVZMNGEBW-UHFFFAOYSA-N -1 3 351.366 3.177 20 30 FGEDHM N#Cc1ccc(NC(=O)c2sccc2-c2nnn[n-]2)cc1C(F)(F)F ZINC000822829719 599634135 /nfs/dbraw/zinc/63/41/35/599634135.db2.gz GAKAXQNUQHYNEH-UHFFFAOYSA-N -1 3 364.312 3.071 20 30 FGEDHM N#Cc1ccc(NC(=O)c2sccc2-c2nn[n-]n2)cc1C(F)(F)F ZINC000822829719 599634136 /nfs/dbraw/zinc/63/41/36/599634136.db2.gz GAKAXQNUQHYNEH-UHFFFAOYSA-N -1 3 364.312 3.071 20 30 FGEDHM CCC(N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CCOCC1 ZINC000820832249 599663855 /nfs/dbraw/zinc/66/38/55/599663855.db2.gz IRBLFFBQMJCDFA-UHFFFAOYSA-N -1 3 368.363 3.490 20 30 FGEDHM CCC(N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CCOCC1 ZINC000820832249 599663856 /nfs/dbraw/zinc/66/38/56/599663856.db2.gz IRBLFFBQMJCDFA-UHFFFAOYSA-N -1 3 368.363 3.490 20 30 FGEDHM CC1(C)CN([C@H](C(=O)[O-])c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000736736190 600568207 /nfs/dbraw/zinc/56/82/07/600568207.db2.gz YPANFQDCXWQSQJ-FQEVSTJZSA-N -1 3 363.461 3.280 20 30 FGEDHM N#Cc1ccc([C@H](NCc2ccc(OCC(F)(F)F)cc2)C(=O)[O-])cc1 ZINC000739107200 600592538 /nfs/dbraw/zinc/59/25/38/600592538.db2.gz PYUYGXYTHRXGCJ-INIZCTEOSA-N -1 3 364.323 3.415 20 30 FGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(-n2cccn2)cc1 ZINC000822924200 607459080 /nfs/dbraw/zinc/45/90/80/607459080.db2.gz YTXAQPMAPANGAR-TWGQIWQCSA-N -1 3 360.352 3.088 20 30 FGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(-n2cccn2)cc1 ZINC000822924200 607459082 /nfs/dbraw/zinc/45/90/82/607459082.db2.gz YTXAQPMAPANGAR-TWGQIWQCSA-N -1 3 360.352 3.088 20 30 FGEDHM N#Cc1cccc([C@H](NCc2cc(Cl)c3c(c2)OCCCO3)C(=O)[O-])c1 ZINC000833074669 601298751 /nfs/dbraw/zinc/29/87/51/601298751.db2.gz DAGCXYNEMPRILB-KRWDZBQOSA-N -1 3 372.808 3.288 20 30 FGEDHM CC(C)C(=O)Nc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000826658702 601299078 /nfs/dbraw/zinc/29/90/78/601299078.db2.gz WVWBFHLSAYBJJX-GOSISDBHSA-N -1 3 351.406 3.068 20 30 FGEDHM C=CCc1cc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc(OC)c1OC ZINC000825705663 601302411 /nfs/dbraw/zinc/30/24/11/601302411.db2.gz QESBZVWPZTWTSX-LJQANCHMSA-N -1 3 366.417 3.219 20 30 FGEDHM COc1ccc(CNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1C#N ZINC000826203838 607551487 /nfs/dbraw/zinc/55/14/87/607551487.db2.gz IOQWWCNZCZQRNI-UHFFFAOYSA-N -1 3 374.326 3.378 20 30 FGEDHM COc1ccc(CNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1C#N ZINC000826203838 607551488 /nfs/dbraw/zinc/55/14/88/607551488.db2.gz IOQWWCNZCZQRNI-UHFFFAOYSA-N -1 3 374.326 3.378 20 30 FGEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)NC(=O)[O-])cc1 ZINC000739249179 603160976 /nfs/dbraw/zinc/16/09/76/603160976.db2.gz LGQNVNQOZTXHFH-DOMZBBRYSA-N -1 3 359.426 3.284 20 30 FGEDHM CC[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1 ZINC000827514684 605232809 /nfs/dbraw/zinc/23/28/09/605232809.db2.gz SMTGOWONHAKIHY-KCJUWKMLSA-N -1 3 365.361 3.311 20 30 FGEDHM CC(C)[C@H](C#N)OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820017449 606168363 /nfs/dbraw/zinc/16/83/63/606168363.db2.gz XLIINVYRHXCSIV-KRWDZBQOSA-N -1 3 362.393 3.315 20 30 FGEDHM COc1ccc2[nH]cc(C(=O)C=Cc3ccc(-c4nnn[n-]4)s3)c2c1 ZINC000821845177 606392129 /nfs/dbraw/zinc/39/21/29/606392129.db2.gz CFPDAHVRFSRBHO-ZZXKWVIFSA-N -1 3 351.391 3.314 20 30 FGEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1 ZINC000819958888 606571410 /nfs/dbraw/zinc/57/14/10/606571410.db2.gz SCBUJOCFVBQCAN-CQSZACIVSA-N -1 3 366.450 3.220 20 30 FGEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1 ZINC000819958888 606571413 /nfs/dbraw/zinc/57/14/13/606571413.db2.gz SCBUJOCFVBQCAN-CQSZACIVSA-N -1 3 366.450 3.220 20 30 FGEDHM N#CCOc1ccc(CNc2ccc(C(F)(F)F)cc2-c2nnn[n-]2)cc1 ZINC000822815608 606931771 /nfs/dbraw/zinc/93/17/71/606931771.db2.gz UOYCTJWNLXIUFI-UHFFFAOYSA-N -1 3 374.326 3.400 20 30 FGEDHM N#CCOc1ccc(CNc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)cc1 ZINC000822815608 606931772 /nfs/dbraw/zinc/93/17/72/606931772.db2.gz UOYCTJWNLXIUFI-UHFFFAOYSA-N -1 3 374.326 3.400 20 30 FGEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)Cc1cc(F)ccc1C#N ZINC000821104503 607058193 /nfs/dbraw/zinc/05/81/93/607058193.db2.gz GONWEKUNAZZJAK-UHFFFAOYSA-N -1 3 350.401 3.290 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CC2CCC1CC2 ZINC000819744205 607213888 /nfs/dbraw/zinc/21/38/88/607213888.db2.gz ZXIQCFQYPQSEGT-PVARCSIZSA-N -1 3 366.469 3.143 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CC2CCC1CC2 ZINC000819744205 607213889 /nfs/dbraw/zinc/21/38/89/607213889.db2.gz ZXIQCFQYPQSEGT-PVARCSIZSA-N -1 3 366.469 3.143 20 30 FGEDHM Cc1ccc(C=NNc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000826286778 607808268 /nfs/dbraw/zinc/80/82/68/607808268.db2.gz PUHHLRXQHCWPHR-UHFFFAOYSA-N -1 3 357.215 3.384 20 30 FGEDHM N#Cc1ccc(SCC(=O)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826386028 607844958 /nfs/dbraw/zinc/84/49/58/607844958.db2.gz MAAFYJRDGUFQHM-UHFFFAOYSA-N -1 3 355.810 3.367 20 30 FGEDHM N#Cc1ccc(SCC(=O)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826386028 607844959 /nfs/dbraw/zinc/84/49/59/607844959.db2.gz MAAFYJRDGUFQHM-UHFFFAOYSA-N -1 3 355.810 3.367 20 30 FGEDHM CC(C)(C)c1cc(NC(=O)c2cccc(-c3nnn[n-]3)c2)c(C#N)s1 ZINC000824129971 607929953 /nfs/dbraw/zinc/92/99/53/607929953.db2.gz FUPITXYGLOQDRL-UHFFFAOYSA-N -1 3 352.423 3.350 20 30 FGEDHM CC(C)(C)c1cc(NC(=O)c2cccc(-c3nn[n-]n3)c2)c(C#N)s1 ZINC000824129971 607929954 /nfs/dbraw/zinc/92/99/54/607929954.db2.gz FUPITXYGLOQDRL-UHFFFAOYSA-N -1 3 352.423 3.350 20 30 FGEDHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000823943936 608004525 /nfs/dbraw/zinc/00/45/25/608004525.db2.gz VKSNGHBMHHTCLT-FLIBITNWSA-N -1 3 364.796 3.434 20 30 FGEDHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000823943936 608004526 /nfs/dbraw/zinc/00/45/26/608004526.db2.gz VKSNGHBMHHTCLT-FLIBITNWSA-N -1 3 364.796 3.434 20 30 FGEDHM C=CCCC(=O)OC1CCC(Nc2ccc(-c3nn[n-]n3)cc2C)CC1 ZINC000823894216 608012000 /nfs/dbraw/zinc/01/20/00/608012000.db2.gz KGRHNFDVZURYAX-UHFFFAOYSA-N -1 3 355.442 3.408 20 30 FGEDHM N#Cc1ccc(NCc2cc(-c3nnn[n-]3)ccc2F)c(Br)c1 ZINC000826385438 608051022 /nfs/dbraw/zinc/05/10/22/608051022.db2.gz MJPQOLPLZPCEKT-UHFFFAOYSA-N -1 3 373.189 3.252 20 30 FGEDHM N#Cc1ccc(NCc2cc(-c3nn[n-]n3)ccc2F)c(Br)c1 ZINC000826385438 608051023 /nfs/dbraw/zinc/05/10/23/608051023.db2.gz MJPQOLPLZPCEKT-UHFFFAOYSA-N -1 3 373.189 3.252 20 30 FGEDHM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c(-c2ccccc2)n1 ZINC000826360169 608213844 /nfs/dbraw/zinc/21/38/44/608213844.db2.gz ZNSJPDMHLYDSDE-QXMHVHEDSA-N -1 3 356.389 3.163 20 30 FGEDHM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c(-c2ccccc2)n1 ZINC000826360169 608213846 /nfs/dbraw/zinc/21/38/46/608213846.db2.gz ZNSJPDMHLYDSDE-QXMHVHEDSA-N -1 3 356.389 3.163 20 30 FGEDHM Cc1cccc2c1[C@H](C)C(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O ZINC000826305217 608319005 /nfs/dbraw/zinc/31/90/05/608319005.db2.gz ONCWRDHUGWZGIA-VJMCZWTHSA-N -1 3 356.389 3.206 20 30 FGEDHM Cc1cccc2c1[C@H](C)C(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O ZINC000826305217 608319007 /nfs/dbraw/zinc/31/90/07/608319007.db2.gz ONCWRDHUGWZGIA-VJMCZWTHSA-N -1 3 356.389 3.206 20 30 FGEDHM COc1cc(-c2nn[n-]n2)ccc1CN1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000826169568 608367328 /nfs/dbraw/zinc/36/73/28/608367328.db2.gz XAWFCITULCRSHR-RTBURBONSA-N -1 3 374.448 3.147 20 30 FGEDHM N#Cc1nc(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)ccc1Cl ZINC000826387773 608442446 /nfs/dbraw/zinc/44/24/46/608442446.db2.gz QFJYVDVSQFTWRB-UHFFFAOYSA-N -1 3 363.812 3.080 20 30 FGEDHM N#Cc1nc(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)ccc1Cl ZINC000826387773 608442447 /nfs/dbraw/zinc/44/24/47/608442447.db2.gz QFJYVDVSQFTWRB-UHFFFAOYSA-N -1 3 363.812 3.080 20 30 FGEDHM CCO[C@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C12CCCC2 ZINC000825577170 608534397 /nfs/dbraw/zinc/53/43/97/608534397.db2.gz TZEFSTBSSZTGEQ-LBPRGKRZSA-N -1 3 361.837 3.052 20 30 FGEDHM CCO[C@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C12CCCC2 ZINC000825577170 608534399 /nfs/dbraw/zinc/53/43/99/608534399.db2.gz TZEFSTBSSZTGEQ-LBPRGKRZSA-N -1 3 361.837 3.052 20 30 FGEDHM Clc1ccc2c(c1)CCC2N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826352987 608536657 /nfs/dbraw/zinc/53/66/57/608536657.db2.gz WWDQQBYHMRRFND-UHFFFAOYSA-N -1 3 360.208 3.331 20 30 FGEDHM Clc1ccc2c(c1)CCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826352987 608536658 /nfs/dbraw/zinc/53/66/58/608536658.db2.gz WWDQQBYHMRRFND-UHFFFAOYSA-N -1 3 360.208 3.331 20 30 FGEDHM COc1ccc(Cl)cc1CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826208706 608539026 /nfs/dbraw/zinc/53/90/26/608539026.db2.gz WWTLLHXJAMGTNT-UHFFFAOYSA-N -1 3 364.196 3.023 20 30 FGEDHM COc1ccc(Cl)cc1CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826208706 608539027 /nfs/dbraw/zinc/53/90/27/608539027.db2.gz WWTLLHXJAMGTNT-UHFFFAOYSA-N -1 3 364.196 3.023 20 30 FGEDHM COc1ccc([C@H](C)CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1 ZINC000826188330 608540211 /nfs/dbraw/zinc/54/02/11/608540211.db2.gz UGQOKAKSXOGOAO-SNVBAGLBSA-N -1 3 357.805 3.125 20 30 FGEDHM COc1ccc([C@H](C)CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1 ZINC000826188330 608540212 /nfs/dbraw/zinc/54/02/12/608540212.db2.gz UGQOKAKSXOGOAO-SNVBAGLBSA-N -1 3 357.805 3.125 20 30 FGEDHM O=C1c2cc(F)ccc2OCCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475961 608878418 /nfs/dbraw/zinc/87/84/18/608878418.db2.gz XLNNYJSFMWDWNN-XFFZJAGNSA-N -1 3 354.316 3.194 20 30 FGEDHM O=C1c2cc(F)ccc2OCCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475961 608878422 /nfs/dbraw/zinc/87/84/22/608878422.db2.gz XLNNYJSFMWDWNN-XFFZJAGNSA-N -1 3 354.316 3.194 20 30 FGEDHM CCN(C)c1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000825395877 608879481 /nfs/dbraw/zinc/87/94/81/608879481.db2.gz XKDHXMZKVZADJB-VZUCSPMQSA-N -1 3 351.385 3.358 20 30 FGEDHM CCN(C)c1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000825395877 608879482 /nfs/dbraw/zinc/87/94/82/608879482.db2.gz XKDHXMZKVZADJB-VZUCSPMQSA-N -1 3 351.385 3.358 20 30 FGEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CC2 ZINC000826211989 608879507 /nfs/dbraw/zinc/87/95/07/608879507.db2.gz CJXBPSNCLTWHHV-MDWZMJQESA-N -1 3 350.353 3.227 20 30 FGEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)CC2 ZINC000826211989 608879508 /nfs/dbraw/zinc/87/95/08/608879508.db2.gz CJXBPSNCLTWHHV-MDWZMJQESA-N -1 3 350.353 3.227 20 30 FGEDHM CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958287 609160934 /nfs/dbraw/zinc/16/09/34/609160934.db2.gz HRNLEZZQRSMWIH-UHFFFAOYSA-N -1 3 350.279 3.259 20 30 FGEDHM CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958287 609160935 /nfs/dbraw/zinc/16/09/35/609160935.db2.gz HRNLEZZQRSMWIH-UHFFFAOYSA-N -1 3 350.279 3.259 20 30 FGEDHM C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824721470 609233724 /nfs/dbraw/zinc/23/37/24/609233724.db2.gz ASSJRAPWFSJSJW-CYBMUJFWSA-N -1 3 359.389 3.340 20 30 FGEDHM C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824721470 609233726 /nfs/dbraw/zinc/23/37/26/609233726.db2.gz ASSJRAPWFSJSJW-CYBMUJFWSA-N -1 3 359.389 3.340 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1ccc(C2(C#N)CC2)cc1 ZINC000826251868 609244295 /nfs/dbraw/zinc/24/42/95/609244295.db2.gz DTCQWVDKWFYVEP-UHFFFAOYSA-N -1 3 359.389 3.087 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1ccc(C2(C#N)CC2)cc1 ZINC000826251868 609244296 /nfs/dbraw/zinc/24/42/96/609244296.db2.gz DTCQWVDKWFYVEP-UHFFFAOYSA-N -1 3 359.389 3.087 20 30 FGEDHM CN(C)c1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1F ZINC000825879166 609273595 /nfs/dbraw/zinc/27/35/95/609273595.db2.gz IOIXMHUDLHRACD-YWEYNIOJSA-N -1 3 355.348 3.107 20 30 FGEDHM CN(C)c1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1F ZINC000825879166 609273596 /nfs/dbraw/zinc/27/35/96/609273596.db2.gz IOIXMHUDLHRACD-YWEYNIOJSA-N -1 3 355.348 3.107 20 30 FGEDHM N#Cc1c(F)cccc1OCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826382962 609313202 /nfs/dbraw/zinc/31/32/02/609313202.db2.gz CQNDXGIKJUPZPV-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM N#Cc1c(F)cccc1OCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826382962 609313203 /nfs/dbraw/zinc/31/32/03/609313203.db2.gz CQNDXGIKJUPZPV-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM C=CCNC(=S)N[C@@H](C)c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823926044 609442537 /nfs/dbraw/zinc/44/25/37/609442537.db2.gz XAVLCOBZEMJRDH-ZDUSSCGKSA-N -1 3 364.478 3.245 20 30 FGEDHM C=CCNC(=S)N[C@@H](C)c1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823926044 609442539 /nfs/dbraw/zinc/44/25/39/609442539.db2.gz XAVLCOBZEMJRDH-ZDUSSCGKSA-N -1 3 364.478 3.245 20 30 FGEDHM N#Cc1cc(CSc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)ccn1 ZINC000826383677 609453547 /nfs/dbraw/zinc/45/35/47/609453547.db2.gz LGYFSZJHLAVIRZ-UHFFFAOYSA-N -1 3 362.340 3.444 20 30 FGEDHM N#Cc1cc(CSc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)ccn1 ZINC000826383677 609453549 /nfs/dbraw/zinc/45/35/49/609453549.db2.gz LGYFSZJHLAVIRZ-UHFFFAOYSA-N -1 3 362.340 3.444 20 30 FGEDHM CCn1c(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)nc2ccccc21 ZINC000825787693 609473308 /nfs/dbraw/zinc/47/33/08/609473308.db2.gz JDMQOLKWPHDQIO-UHFFFAOYSA-N -1 3 366.816 3.336 20 30 FGEDHM CCn1c(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)nc2ccccc21 ZINC000825787693 609473310 /nfs/dbraw/zinc/47/33/10/609473310.db2.gz JDMQOLKWPHDQIO-UHFFFAOYSA-N -1 3 366.816 3.336 20 30 FGEDHM N#CCCCNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000826381551 609515013 /nfs/dbraw/zinc/51/50/13/609515013.db2.gz PXOXIVOMWWDQBL-UHFFFAOYSA-N -1 3 364.434 3.051 20 30 FGEDHM N#CCCCNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000826381551 609515015 /nfs/dbraw/zinc/51/50/15/609515015.db2.gz PXOXIVOMWWDQBL-UHFFFAOYSA-N -1 3 364.434 3.051 20 30 FGEDHM C=CCOc1c(Br)cc(C=C2SC(=O)[N-]C2=O)cc1OC ZINC000106693458 700509676 /nfs/dbraw/zinc/50/96/76/700509676.db2.gz GXLBLGUOINJSRB-XFFZJAGNSA-N -1 3 370.224 3.346 20 30 FGEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000130101276 700796271 /nfs/dbraw/zinc/79/62/71/700796271.db2.gz RJNFWQSIWUYTII-GFCCVEGCSA-N -1 3 361.716 3.348 20 30 FGEDHM CCCCCCCCS(=O)(=O)Cc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000190939736 712827143 /nfs/dbraw/zinc/82/71/43/712827143.db2.gz GNMCACATQLLKSV-UHFFFAOYSA-N -1 3 354.394 3.476 20 30 FGEDHM N#Cc1ccsc1C(=O)[N-]c1n[nH]c(-c2ccccc2Br)n1 ZINC000523307252 714226396 /nfs/dbraw/zinc/22/63/96/714226396.db2.gz NXMMJMZQFWKCNR-UHFFFAOYSA-N -1 3 374.223 3.420 20 30 FGEDHM C[C@@H]([N-]C(=O)c1cc(F)c(F)c(F)c1F)c1nc(C(F)(F)F)no1 ZINC000627811156 716072691 /nfs/dbraw/zinc/07/26/91/716072691.db2.gz OKXLHCBOSOOPEK-GSVOUGTGSA-N -1 3 357.185 3.136 20 30 FGEDHM C=CC[C@@H]1CCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000628488715 716160926 /nfs/dbraw/zinc/16/09/26/716160926.db2.gz GRAXPDAFBXDKOC-LLVKDONJSA-N -1 3 361.239 3.329 20 30 FGEDHM C=CC[C@@H](NCc1cc(OC(F)F)ccc1Br)C(=O)[O-] ZINC000647645975 718371537 /nfs/dbraw/zinc/37/15/37/718371537.db2.gz RJDRYUMHFMQZCW-LLVKDONJSA-N -1 3 350.159 3.169 20 30 FGEDHM CC1(C(=O)[N-]OCC(F)F)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000804558822 724528629 /nfs/dbraw/zinc/52/86/29/724528629.db2.gz LWQLPOHWHKWBNK-UHFFFAOYSA-N -1 3 357.788 3.131 20 30 FGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCc3c2cccc3Br)c1[O-] ZINC000727685294 722446338 /nfs/dbraw/zinc/44/63/38/722446338.db2.gz HWKINYGVZSTTRF-RUIVNBNWSA-N -1 3 361.239 3.457 20 30 FGEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCCOc2ccc(Cl)cc21 ZINC000733747509 722500544 /nfs/dbraw/zinc/50/05/44/722500544.db2.gz RPESEDALAHXFMW-UHFFFAOYSA-N -1 3 364.854 3.336 20 30 FGEDHM C=C(Cl)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000736239424 722522315 /nfs/dbraw/zinc/52/23/15/722522315.db2.gz WTCCOTZRAXJHQU-UHFFFAOYSA-N -1 3 368.817 3.109 20 30 FGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(F)cc1OC(F)F ZINC000748075311 722674551 /nfs/dbraw/zinc/67/45/51/722674551.db2.gz HNDILAMVSROJIZ-UHFFFAOYSA-N -1 3 372.368 3.271 20 30 FGEDHM N#Cc1cccc(C(=O)COC(=O)c2cccc(Br)c2[O-])c1 ZINC000748278017 722682933 /nfs/dbraw/zinc/68/29/33/722682933.db2.gz VCTPHTYREUALPK-UHFFFAOYSA-N -1 3 360.163 3.066 20 30 FGEDHM N#Cc1ccsc1N1CC[C@@H](OC(=O)c2cc(Cl)c(Cl)[n-]2)C1=O ZINC000751643646 722818289 /nfs/dbraw/zinc/81/82/89/722818289.db2.gz RMJRLWXFXSVQGQ-SNVBAGLBSA-N -1 3 370.217 3.217 20 30 FGEDHM CC[C@@]1(c2ccccc2)NC(=O)N(N=Cc2c([O-])cccc2Cl)C1=O ZINC000755610269 722954937 /nfs/dbraw/zinc/95/49/37/722954937.db2.gz VWLNUBXXKFIORN-SFHVURJKSA-N -1 3 357.797 3.237 20 30 FGEDHM COc1ccc(C=NNc2ccncc2Cl)c(Br)c1[O-] ZINC000761011910 723112596 /nfs/dbraw/zinc/11/25/96/723112596.db2.gz KOXPORIOHHFJFN-UHFFFAOYSA-N -1 3 356.607 3.080 20 30 FGEDHM COc1cc(C(=O)/C=C\c2c(Cl)nc(Cl)n2C)c(OC)cc1[O-] ZINC000763105499 723313239 /nfs/dbraw/zinc/31/32/39/723313239.db2.gz LDRVXJXCQLRHKU-PLNGDYQASA-N -1 3 357.193 3.346 20 30 FGEDHM N#Cc1nc(C2CC2)oc1N1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000768798178 723667553 /nfs/dbraw/zinc/66/75/53/723667553.db2.gz SDQZNUGAGZABLK-UHFFFAOYSA-N -1 3 358.829 3.105 20 30 FGEDHM CC(N=Nc1c(F)cc(C(=O)NC2CC2)cc1F)c1sccc1[O-] ZINC000769793562 723695687 /nfs/dbraw/zinc/69/56/87/723695687.db2.gz OEDWZROTCQHXQP-UHFFFAOYSA-N -1 3 351.378 3.460 20 30 FGEDHM CC(C)Oc1cncc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c1 ZINC000770100041 723706086 /nfs/dbraw/zinc/70/60/86/723706086.db2.gz MOWUFYYMLGSOHV-CQSZACIVSA-N -1 3 357.797 3.483 20 30 FGEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2ccc(N(C)C)c(F)c2)n1 ZINC000770118962 723706635 /nfs/dbraw/zinc/70/66/35/723706635.db2.gz NUGUKYRVAKOSRM-NSHDSACASA-N -1 3 361.398 3.015 20 30 FGEDHM Cc1ccc(I)cc1N=Cc1ccc(O)c([O-])c1O ZINC000773905081 723837681 /nfs/dbraw/zinc/83/76/81/723837681.db2.gz FSULKWZQCFHNBK-UHFFFAOYSA-N -1 3 369.158 3.467 20 30 FGEDHM CCCCCCCCNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000798444694 723932541 /nfs/dbraw/zinc/93/25/41/723932541.db2.gz WLADYWOYNXIPEV-UHFFFAOYSA-N -1 3 365.440 3.447 20 30 FGEDHM C=C(Cl)C[N-]S(=O)(=O)c1cc(Br)cc2cccnc21 ZINC000805008037 725043628 /nfs/dbraw/zinc/04/36/28/725043628.db2.gz YLGNQMFFNRZTDZ-UHFFFAOYSA-N -1 3 361.648 3.028 20 30 FGEDHM C#CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000805104386 725049858 /nfs/dbraw/zinc/04/98/58/725049858.db2.gz VOWYSXOHJGFLSS-CQSZACIVSA-N -1 3 368.380 3.013 20 30 FGEDHM C#C[C@@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)OC)C(C)(C)C ZINC000805146320 725053023 /nfs/dbraw/zinc/05/30/23/725053023.db2.gz BUBSBCCFDQRGJF-CYBMUJFWSA-N -1 3 365.476 3.014 20 30 FGEDHM N#Cc1ccc([C@H](OC(=O)c2cc3cc(Cl)sc3[n-]2)C(N)=O)cc1 ZINC000811395580 725361623 /nfs/dbraw/zinc/36/16/23/725361623.db2.gz HNLJLMNTGMGXPM-ZDUSSCGKSA-N -1 3 359.794 3.138 20 30 FGEDHM CCCCCCCCNC(=O)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC000811897964 725384313 /nfs/dbraw/zinc/38/43/13/725384313.db2.gz KFVNUGFBEYSCGY-CQSZACIVSA-N -1 3 365.440 3.447 20 30 FGEDHM O=S(=O)(NC1CC1)c1cccc(N=Cc2cc(Cl)ccc2[O-])c1 ZINC000812416223 725396484 /nfs/dbraw/zinc/39/64/84/725396484.db2.gz YZLCTONADZGLBV-UHFFFAOYSA-N -1 3 350.827 3.237 20 30 FGEDHM COc1cc(C(=O)/C=C/c2cc(Br)c([O-])c(OC)c2)on1 ZINC000821022813 729051630 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C=C[C@@H](C)O[N-]C(=O)CCc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3 ZINC000846544230 730962145 /nfs/dbraw/zinc/96/21/45/730962145.db2.gz VUDFKBUZLOYQAD-WDEREUQCSA-N -1 3 361.467 3.077 20 30 FGEDHM N#CC(=C([O-])c1cc(Cl)nc(C2CC2)c1)c1nnc2n1CCCCC2 ZINC000847627736 731071938 /nfs/dbraw/zinc/07/19/38/731071938.db2.gz BBZGTPUGEUFRHL-ZDUSSCGKSA-N -1 3 355.829 3.420 20 30 FGEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1csc(-c2ccc(Cl)cc2)c1 ZINC000848131833 731134065 /nfs/dbraw/zinc/13/40/65/731134065.db2.gz DGQCRKSEHABXAX-ZDUSSCGKSA-N -1 3 350.827 3.179 20 30 FGEDHM CCOC(=O)C[C@H](/N=C\c1cc(Br)ccc1[O-])C(F)(F)F ZINC000849169493 731233313 /nfs/dbraw/zinc/23/33/13/731233313.db2.gz DFBKXLRGEULMAF-ITBPYLDQSA-N -1 3 368.149 3.458 20 30 FGEDHM Cc1ncc(CO)c(/C=N\[C@H]2CCN(c3ccc(Cl)cc3F)C2)c1[O-] ZINC000864346309 733048786 /nfs/dbraw/zinc/04/87/86/733048786.db2.gz SOFRVGMAUGMUQQ-SQCFBGSYSA-N -1 3 363.820 3.078 20 30 FGEDHM CC[C@@H](C)Sc1ccc(NC(=O)N[C@H]2CCCN([O-])C2=O)c(C)c1 ZINC000878505675 736856779 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C=CCOc1cccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000460836489 501933981 /nfs/dbraw/zinc/93/39/81/501933981.db2.gz LMJZUODCNZMJJE-UHFFFAOYSA-N -1 3 351.399 3.211 20 30 FGEDHM Cc1cc(Br)c(S(=O)(=O)[N-]C2(C#N)CCCCC2)s1 ZINC000464421310 501985208 /nfs/dbraw/zinc/98/52/08/501985208.db2.gz PUEZGNXQQQBUER-UHFFFAOYSA-N -1 3 363.302 3.324 20 30 FGEDHM CC(C)C[C@H]1OCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000478784552 502085670 /nfs/dbraw/zinc/08/56/70/502085670.db2.gz ZRQCRSFUUVSGGX-HUUCEWRRSA-N -1 3 356.875 3.084 20 30 FGEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000486449778 502157751 /nfs/dbraw/zinc/15/77/51/502157751.db2.gz UAFSIJRBXOKLJZ-UHFFFAOYSA-N -1 3 372.377 3.146 20 30 FGEDHM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)cc1 ZINC000486496702 502171672 /nfs/dbraw/zinc/17/16/72/502171672.db2.gz MPNCNYLYZYKNMN-UHFFFAOYSA-N -1 3 364.810 3.189 20 30 FGEDHM N#Cc1c(C#N)c2c(nc1NCc1ccc([O-])c(F)c1)CCCCCC2 ZINC000480021023 502447859 /nfs/dbraw/zinc/44/78/59/502447859.db2.gz SEBNSYLMWMECQT-UHFFFAOYSA-N -1 3 350.397 3.363 20 30 FGEDHM C[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)Oc1cccc(F)c1 ZINC000476313098 502453372 /nfs/dbraw/zinc/45/33/72/502453372.db2.gz KNIOWSHFGCREND-LLVKDONJSA-N -1 3 368.817 3.097 20 30 FGEDHM CC[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCCCC1)Oc1ccccc1F ZINC000476313516 502453447 /nfs/dbraw/zinc/45/34/47/502453447.db2.gz UYDFBSMVBMTULC-HNNXBMFYSA-N -1 3 368.474 3.377 20 30 FGEDHM CCN(Cc1c([O-])c(C)ncc1CO)c1nc(C(C)(C)C)ccc1C#N ZINC000599089200 506318310 /nfs/dbraw/zinc/31/83/10/506318310.db2.gz CDDJNPKSKKZCMX-UHFFFAOYSA-N -1 3 354.454 3.179 20 30 FGEDHM N#Cc1ccccc1COc1ccc(C(=O)NCc2ncccc2[O-])cc1 ZINC000473635812 502662758 /nfs/dbraw/zinc/66/27/58/502662758.db2.gz AXCZINQCVVLQLG-UHFFFAOYSA-N -1 3 359.385 3.168 20 30 FGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@H]1CCC2(CCCCC2)O1 ZINC000480861125 502692283 /nfs/dbraw/zinc/69/22/83/502692283.db2.gz CRRUGTNJJLGHDS-CYBMUJFWSA-N -1 3 368.886 3.372 20 30 FGEDHM C=CC[C@@H]1N(C(=O)CC[N-]S(=O)(=O)c2cccs2)CCCC1(C)C ZINC000470304278 502731072 /nfs/dbraw/zinc/73/10/72/502731072.db2.gz SYLACBPOLQJKQR-AWEZNQCLSA-N -1 3 370.540 3.010 20 30 FGEDHM N#Cc1ccc(F)c(CS(=O)(=O)[N-][C@H](c2ccccc2)[C@@H]2CCCO2)c1 ZINC000500698314 502842221 /nfs/dbraw/zinc/84/22/21/502842221.db2.gz YBIFFEVXNMTJLJ-RBUKOAKNSA-N -1 3 374.437 3.037 20 30 FGEDHM C=CCCCS(=O)(=O)[N-][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000489291199 502921105 /nfs/dbraw/zinc/92/11/05/502921105.db2.gz XQJIKDVXMUCTEP-IBGZPJMESA-N -1 3 372.490 3.122 20 30 FGEDHM CC[C@H]([N-]S(=O)(=O)c1cnc(C)c(C#N)c1)c1ccc(Cl)s1 ZINC000489320830 502928041 /nfs/dbraw/zinc/92/80/41/502928041.db2.gz LEKQHYIJXCSAOA-LBPRGKRZSA-N -1 3 355.872 3.406 20 30 FGEDHM Cc1ccc(-c2nnc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)[n-]2)o1 ZINC000501238057 502964759 /nfs/dbraw/zinc/96/47/59/502964759.db2.gz QSWBTNICDJVWDQ-UHFFFAOYSA-N -1 3 351.341 3.054 20 30 FGEDHM Cc1ccc(-c2n[n-]c(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)n2)o1 ZINC000501238057 502964764 /nfs/dbraw/zinc/96/47/64/502964764.db2.gz QSWBTNICDJVWDQ-UHFFFAOYSA-N -1 3 351.341 3.054 20 30 FGEDHM Cc1ccc(-c2nc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)n[n-]2)o1 ZINC000501238057 502964768 /nfs/dbraw/zinc/96/47/68/502964768.db2.gz QSWBTNICDJVWDQ-UHFFFAOYSA-N -1 3 351.341 3.054 20 30 FGEDHM C[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000510385121 503104404 /nfs/dbraw/zinc/10/44/04/503104404.db2.gz SPNFVZTUHHDOAE-LLVKDONJSA-N -1 3 363.826 3.239 20 30 FGEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC000514948281 503233481 /nfs/dbraw/zinc/23/34/81/503233481.db2.gz ZRPUQNJRISKVJP-MRXNPFEDSA-N -1 3 350.422 3.352 20 30 FGEDHM Cc1csc(C2([N-]S(=O)(=O)CC3(C#N)CCCC3)CCCC2)n1 ZINC000498883713 503282691 /nfs/dbraw/zinc/28/26/91/503282691.db2.gz LNQLCRZKWRUJLZ-UHFFFAOYSA-N -1 3 353.513 3.224 20 30 FGEDHM N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cc([O-])ccc2Cl)n1 ZINC000498984062 503308360 /nfs/dbraw/zinc/30/83/60/503308360.db2.gz KLBOCWPSYHQGGT-UHFFFAOYSA-N -1 3 373.199 3.431 20 30 FGEDHM C=C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000491588244 503321616 /nfs/dbraw/zinc/32/16/16/503321616.db2.gz GKQVGNPXGKNFGJ-GXTWGEPZSA-N -1 3 359.875 3.141 20 30 FGEDHM C=C[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000491588247 503321650 /nfs/dbraw/zinc/32/16/50/503321650.db2.gz GKQVGNPXGKNFGJ-TZMCWYRMSA-N -1 3 359.875 3.141 20 30 FGEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)c1ccc(F)cc1 ZINC000503452200 503412807 /nfs/dbraw/zinc/41/28/07/503412807.db2.gz CIWDADRGVYEZSK-HNNXBMFYSA-N -1 3 368.817 3.017 20 30 FGEDHM CSCC[C@@](C)(C#N)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000508073475 503423673 /nfs/dbraw/zinc/42/36/73/503423673.db2.gz KXRWOCLOUUIQCM-LBPRGKRZSA-N -1 3 353.296 3.307 20 30 FGEDHM CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000508075134 503425057 /nfs/dbraw/zinc/42/50/57/503425057.db2.gz WKJPNRSBBNVXRX-GFCCVEGCSA-N -1 3 370.393 3.158 20 30 FGEDHM Cc1ncc(CNC(=O)Nc2ccccc2SC[C@H](C)C#N)c(=O)[n-]1 ZINC000543302552 503717205 /nfs/dbraw/zinc/71/72/05/503717205.db2.gz DMHVMZLOCRANIJ-LLVKDONJSA-N -1 3 357.439 3.064 20 30 FGEDHM N#CC(=C([O-])c1ccn(Cc2ccccc2)c1)c1nnc2n1CCCCC2 ZINC000541019854 503977252 /nfs/dbraw/zinc/97/72/52/503977252.db2.gz KZTNOBLIMDLFEV-GOSISDBHSA-N -1 3 359.433 3.344 20 30 FGEDHM C[C@@H]1CCN(c2cc(C([O-])=C(C#N)c3nc4ccccc4n3C)ccn2)C1 ZINC000547484453 504123027 /nfs/dbraw/zinc/12/30/27/504123027.db2.gz UTUASGXFKFIUGK-ZBFHGGJFSA-N -1 3 359.433 3.305 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](C[C@@H]2CCOC2)c2ccccc2)s1 ZINC000519518915 504237216 /nfs/dbraw/zinc/23/72/16/504237216.db2.gz QTGOPVIDDQGKDU-XJKSGUPXSA-N -1 3 362.476 3.066 20 30 FGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H](c1ccccn1)C1CCC1 ZINC000528498148 504247922 /nfs/dbraw/zinc/24/79/22/504247922.db2.gz BBQVZAZADQDWJX-KRWDZBQOSA-N -1 3 361.854 3.426 20 30 FGEDHM N#CC(=C([O-])c1cc(OC(F)F)cc(OC(F)F)c1)c1ccncn1 ZINC000546154184 504729283 /nfs/dbraw/zinc/72/92/83/504729283.db2.gz XZNOMCWGTCEUBF-LLVKDONJSA-N -1 3 355.247 3.169 20 30 FGEDHM N#C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1cccc(C(F)(F)F)c1 ZINC000539997939 504756638 /nfs/dbraw/zinc/75/66/38/504756638.db2.gz SADUVGYAHZUSGA-CQSZACIVSA-N -1 3 358.316 3.388 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2ccccc2CC1 ZINC000562630238 504886717 /nfs/dbraw/zinc/88/67/17/504886717.db2.gz ICKYQAYUCKIFRM-UHFFFAOYSA-N -1 3 363.461 3.226 20 30 FGEDHM C=CCc1ccc(OCc2nc(-c3ccc4n[n-]nc4c3)no2)c(OC)c1 ZINC000565516193 504909337 /nfs/dbraw/zinc/90/93/37/504909337.db2.gz IYSBHAAAAFTOSD-UHFFFAOYSA-N -1 3 363.377 3.324 20 30 FGEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000564548710 505449562 /nfs/dbraw/zinc/44/95/62/505449562.db2.gz QEHAKTQOSPWODK-UKRRQHHQSA-N -1 3 361.854 3.221 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](C2CC2)C2CCC2)c(C(F)(F)F)c1 ZINC000567570932 505501654 /nfs/dbraw/zinc/50/16/54/505501654.db2.gz ADKNBHBYSPHHGB-OAHLLOKOSA-N -1 3 358.385 3.434 20 30 FGEDHM CCCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cc(C#N)ccc2NC)cc1 ZINC000552586414 505518391 /nfs/dbraw/zinc/51/83/91/505518391.db2.gz GFHVIGZXHRCPOP-UHFFFAOYSA-N -1 3 372.450 3.004 20 30 FGEDHM N#CC(=C([O-])c1ccc2[nH]c(C(F)F)nc2c1)c1nnc2n1CCCCC2 ZINC000582923202 506490054 /nfs/dbraw/zinc/49/00/54/506490054.db2.gz RNUPJWIGEUSBRD-LLVKDONJSA-N -1 3 370.363 3.308 20 30 FGEDHM COc1ccccc1C1(C[N-]S(=O)(=O)c2ccsc2C#N)CCC1 ZINC000593577001 506689690 /nfs/dbraw/zinc/68/96/90/506689690.db2.gz XNQNMRYEBKOVJG-UHFFFAOYSA-N -1 3 362.476 3.029 20 30 FGEDHM CCc1cccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1[O-] ZINC000593885988 506820762 /nfs/dbraw/zinc/82/07/62/506820762.db2.gz MYXDBDKIQXFBDT-UHFFFAOYSA-N -1 3 363.461 3.221 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(c2ccc(C#N)cc2)CCC1 ZINC000594140473 506968520 /nfs/dbraw/zinc/96/85/20/506968520.db2.gz HGTRDQHHACPLIP-UHFFFAOYSA-N -1 3 374.444 3.276 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2cccc(F)c2[C@H]1C ZINC000609978666 507060344 /nfs/dbraw/zinc/06/03/44/507060344.db2.gz HNRQZIZQMPFHTC-CQSZACIVSA-N -1 3 367.424 3.493 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(C(F)(F)F)CCCC1 ZINC000600694290 507071046 /nfs/dbraw/zinc/07/10/46/507071046.db2.gz IODQPWQAZURQCY-UHFFFAOYSA-N -1 3 369.387 3.447 20 30 FGEDHM CCn1nc(C([O-])=C(C#N)c2ccc3ccccc3n2)c(=O)c2ccccc21 ZINC000605362703 507159026 /nfs/dbraw/zinc/15/90/26/507159026.db2.gz PNKMQEULOGEQKF-INIZCTEOSA-N -1 3 368.396 3.455 20 30 FGEDHM Cc1cccc2[nH]c(C(C#N)=C([O-])c3csc(-c4cnn(C)c4)n3)nc21 ZINC000605362610 507159887 /nfs/dbraw/zinc/15/98/87/507159887.db2.gz MGBORJIJIPGZMH-LBPRGKRZSA-N -1 3 362.418 3.218 20 30 FGEDHM Cc1cccc2nc(C(C#N)=C([O-])c3csc(-c4cnn(C)c4)n3)[nH]c21 ZINC000605362610 507159896 /nfs/dbraw/zinc/15/98/96/507159896.db2.gz MGBORJIJIPGZMH-LBPRGKRZSA-N -1 3 362.418 3.218 20 30 FGEDHM N#CC[C@@H]1CCCN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C1 ZINC000597908808 507167576 /nfs/dbraw/zinc/16/75/76/507167576.db2.gz BVPCCKODMNNTTD-NSHDSACASA-N -1 3 374.238 3.056 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)[C@@H]1CCCCO1 ZINC000594774446 507275773 /nfs/dbraw/zinc/27/57/73/507275773.db2.gz ZQUDYNLHNTXHHV-DOMZBBRYSA-N -1 3 364.492 3.317 20 30 FGEDHM CCOCC(C)(C)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594776465 507276714 /nfs/dbraw/zinc/27/67/14/507276714.db2.gz CMIQQBJOURGLIC-UHFFFAOYSA-N -1 3 352.481 3.175 20 30 FGEDHM COC1([C@H](C)[N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CCC1 ZINC000594783415 507280403 /nfs/dbraw/zinc/28/04/03/507280403.db2.gz GOYOYIFEPXTRDM-LBPRGKRZSA-N -1 3 364.492 3.317 20 30 FGEDHM C[C@]1(CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1(F)F ZINC000594858643 507297788 /nfs/dbraw/zinc/29/77/88/507297788.db2.gz UJTKQBOIVNRJJP-LBPRGKRZSA-N -1 3 368.327 3.291 20 30 FGEDHM CC1(C)[C@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1(F)F ZINC000595350300 507468351 /nfs/dbraw/zinc/46/83/51/507468351.db2.gz HIPJJCLVXMURNO-NSHDSACASA-N -1 3 368.327 3.147 20 30 FGEDHM N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-][C@H]1CCC(F)(F)C1 ZINC000611026455 507486751 /nfs/dbraw/zinc/48/67/51/507486751.db2.gz WOQSDNUVFZOZBK-JTQLQIEISA-N -1 3 354.300 3.043 20 30 FGEDHM Cc1cnc2nc(C(=O)[N-]c3sc4c(c3C#N)[C@H](C)[C@H](C)CC4)nn2c1 ZINC000598837412 507629267 /nfs/dbraw/zinc/62/92/67/507629267.db2.gz DLVSTLZPJKVHEN-GHMZBOCLSA-N -1 3 366.450 3.304 20 30 FGEDHM CC(C)(C)OC(=O)CCCC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000611342956 507630124 /nfs/dbraw/zinc/63/01/24/507630124.db2.gz NFMQWGQXBOONKL-UHFFFAOYSA-N -1 3 372.874 3.002 20 30 FGEDHM Cc1ccccc1-c1cc(=NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)[nH][n-]1 ZINC000611407138 507668235 /nfs/dbraw/zinc/66/82/35/507668235.db2.gz AKAVADUJEPWDHC-FQEVSTJZSA-N -1 3 371.444 3.286 20 30 FGEDHM C=CCCCCCN(C)C(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000735409313 598838288 /nfs/dbraw/zinc/83/82/88/598838288.db2.gz YVQHOKKCZGGOFW-GOSISDBHSA-N -1 3 371.485 3.475 20 30 FGEDHM C=CCCCCCN(C)C(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000735409313 598838290 /nfs/dbraw/zinc/83/82/90/598838290.db2.gz YVQHOKKCZGGOFW-GOSISDBHSA-N -1 3 371.485 3.475 20 30 FGEDHM Cc1ccc(C)c(SCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737326125 598915259 /nfs/dbraw/zinc/91/52/59/598915259.db2.gz MAPLNWDEAZPXNY-UHFFFAOYSA-N -1 3 364.434 3.086 20 30 FGEDHM Cc1ccc(C)c(SCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737326125 598915260 /nfs/dbraw/zinc/91/52/60/598915260.db2.gz MAPLNWDEAZPXNY-UHFFFAOYSA-N -1 3 364.434 3.086 20 30 FGEDHM CCCCc1ccc(CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736465605 598919562 /nfs/dbraw/zinc/91/95/62/598919562.db2.gz GWJHDXDPWZTVGH-UHFFFAOYSA-N -1 3 360.421 3.262 20 30 FGEDHM CCCCc1ccc(CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736465605 598919565 /nfs/dbraw/zinc/91/95/65/598919565.db2.gz GWJHDXDPWZTVGH-UHFFFAOYSA-N -1 3 360.421 3.262 20 30 FGEDHM Cc1cc(C)c(C=CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1C ZINC000737246882 598921132 /nfs/dbraw/zinc/92/11/32/598921132.db2.gz PHKHHGCOUVYGNE-ALCCZGGFSA-N -1 3 358.405 3.316 20 30 FGEDHM Cc1cc(C)c(C=CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1C ZINC000737246882 598921134 /nfs/dbraw/zinc/92/11/34/598921134.db2.gz PHKHHGCOUVYGNE-ALCCZGGFSA-N -1 3 358.405 3.316 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1-c1nnn[n-]1 ZINC000737719671 598927469 /nfs/dbraw/zinc/92/74/69/598927469.db2.gz UQJACYGODUYFRC-UHFFFAOYSA-N -1 3 364.434 3.321 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cc3c(s2)CCCCC3)cc1-c1nn[n-]n1 ZINC000737719671 598927471 /nfs/dbraw/zinc/92/74/71/598927471.db2.gz UQJACYGODUYFRC-UHFFFAOYSA-N -1 3 364.434 3.321 20 30 FGEDHM Cc1cc(C=NNCc2ccc(-c3nnn[n-]3)cc2)ccc1Br ZINC000822198820 607253415 /nfs/dbraw/zinc/25/34/15/607253415.db2.gz LFORZKAXBKMEIA-UHFFFAOYSA-N -1 3 371.242 3.061 20 30 FGEDHM Cc1cc(C=NNCc2ccc(-c3nn[n-]n3)cc2)ccc1Br ZINC000822198820 607253416 /nfs/dbraw/zinc/25/34/16/607253416.db2.gz LFORZKAXBKMEIA-UHFFFAOYSA-N -1 3 371.242 3.061 20 30 FGEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000819772590 607254199 /nfs/dbraw/zinc/25/41/99/607254199.db2.gz GXXQFOHJWCBANM-UHFFFAOYSA-N -1 3 369.432 3.443 20 30 FGEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(-c2ccncc2)cc1 ZINC000819772590 607254200 /nfs/dbraw/zinc/25/42/00/607254200.db2.gz GXXQFOHJWCBANM-UHFFFAOYSA-N -1 3 369.432 3.443 20 30 FGEDHM Clc1nc2ccccc2cc1C=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000822589907 607254733 /nfs/dbraw/zinc/25/47/33/607254733.db2.gz CVIMGBMJPDSZHF-UHFFFAOYSA-N -1 3 363.812 3.192 20 30 FGEDHM Clc1nc2ccccc2cc1C=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000822589907 607254734 /nfs/dbraw/zinc/25/47/34/607254734.db2.gz CVIMGBMJPDSZHF-UHFFFAOYSA-N -1 3 363.812 3.192 20 30 FGEDHM Cc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1[N+](=O)[O-] ZINC000822233545 599113132 /nfs/dbraw/zinc/11/31/32/599113132.db2.gz RDIAPJKNLIMKPQ-ZSOIEALJSA-N -1 3 361.361 3.296 20 30 FGEDHM Cc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1[N+](=O)[O-] ZINC000822233545 599113133 /nfs/dbraw/zinc/11/31/33/599113133.db2.gz RDIAPJKNLIMKPQ-ZSOIEALJSA-N -1 3 361.361 3.296 20 30 FGEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000735559899 599197370 /nfs/dbraw/zinc/19/73/70/599197370.db2.gz NQZKNSYGWIHHHX-SNVBAGLBSA-N -1 3 352.785 3.134 20 30 FGEDHM C[C@@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000735559899 599197372 /nfs/dbraw/zinc/19/73/72/599197372.db2.gz NQZKNSYGWIHHHX-SNVBAGLBSA-N -1 3 352.785 3.134 20 30 FGEDHM C=CC[C@@H](C)NC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000735410052 599203759 /nfs/dbraw/zinc/20/37/59/599203759.db2.gz SHMZSPYJXKFXRA-CQSZACIVSA-N -1 3 363.421 3.140 20 30 FGEDHM C=CC[C@@H](C)NC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000735410052 599203762 /nfs/dbraw/zinc/20/37/62/599203762.db2.gz SHMZSPYJXKFXRA-CQSZACIVSA-N -1 3 363.421 3.140 20 30 FGEDHM C=CCOc1ccc(C(=O)Nc2cc(-c3nnn[n-]3)cn2C(C)(C)C)cc1 ZINC000735437584 598488760 /nfs/dbraw/zinc/48/87/60/598488760.db2.gz MKNJCUPHZSFXFD-UHFFFAOYSA-N -1 3 366.425 3.240 20 30 FGEDHM C=CCOc1ccc(C(=O)Nc2cc(-c3nn[n-]n3)cn2C(C)(C)C)cc1 ZINC000735437584 598488762 /nfs/dbraw/zinc/48/87/62/598488762.db2.gz MKNJCUPHZSFXFD-UHFFFAOYSA-N -1 3 366.425 3.240 20 30 FGEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735502286 598495585 /nfs/dbraw/zinc/49/55/85/598495585.db2.gz DJXOXFPUKMNRRG-LBPRGKRZSA-N -1 3 364.434 3.371 20 30 FGEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735502286 598495587 /nfs/dbraw/zinc/49/55/87/598495587.db2.gz DJXOXFPUKMNRRG-LBPRGKRZSA-N -1 3 364.434 3.371 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000735419985 598515925 /nfs/dbraw/zinc/51/59/25/598515925.db2.gz LHKPUXVTFBLYPW-CZIWCDLHSA-N -1 3 354.458 3.143 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000735419985 598515927 /nfs/dbraw/zinc/51/59/27/598515927.db2.gz LHKPUXVTFBLYPW-CZIWCDLHSA-N -1 3 354.458 3.143 20 30 FGEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2sccc2-c2nnn[n-]2)cc1 ZINC000735649157 598535424 /nfs/dbraw/zinc/53/54/24/598535424.db2.gz YGLRFRBYOZTSOK-CQSZACIVSA-N -1 3 366.450 3.220 20 30 FGEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2sccc2-c2nn[n-]n2)cc1 ZINC000735649157 598535426 /nfs/dbraw/zinc/53/54/26/598535426.db2.gz YGLRFRBYOZTSOK-CQSZACIVSA-N -1 3 366.450 3.220 20 30 FGEDHM C[C@H](Nc1nc(C(F)(F)F)ccc1-c1nnn[n-]1)c1cccc(C#N)c1 ZINC000820460785 599355383 /nfs/dbraw/zinc/35/53/83/599355383.db2.gz BWDFRQJPNUJWTQ-VIFPVBQESA-N -1 3 359.315 3.325 20 30 FGEDHM C[C@H](Nc1nc(C(F)(F)F)ccc1-c1nn[n-]n1)c1cccc(C#N)c1 ZINC000820460785 599355387 /nfs/dbraw/zinc/35/53/87/599355387.db2.gz BWDFRQJPNUJWTQ-VIFPVBQESA-N -1 3 359.315 3.325 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(Cl)cc1 ZINC000737804712 599459405 /nfs/dbraw/zinc/45/94/05/599459405.db2.gz DYVJYFFKRZSHDX-SREVYHEPSA-N -1 3 350.769 3.064 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(Cl)cc1 ZINC000737804712 599459406 /nfs/dbraw/zinc/45/94/06/599459406.db2.gz DYVJYFFKRZSHDX-SREVYHEPSA-N -1 3 350.769 3.064 20 30 FGEDHM CN(C(=O)OC(C)(C)C)[C@H]1CCCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000737336765 600567144 /nfs/dbraw/zinc/56/71/44/600567144.db2.gz SQNLLYHUUBPVBQ-IRXDYDNUSA-N -1 3 373.453 3.015 20 30 FGEDHM C[C@@H](N[C@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000736662877 600592007 /nfs/dbraw/zinc/59/20/07/600592007.db2.gz TZFCUPNQQISGQN-YJYMSZOUSA-N -1 3 363.417 3.383 20 30 FGEDHM N#CC(C(=O)Nc1cccc2ccccc21)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000833064607 601236959 /nfs/dbraw/zinc/23/69/59/601236959.db2.gz SVWLXTJXMKYHJY-VYDXJSESSA-N -1 3 364.401 3.378 20 30 FGEDHM CC(C)C(=O)Nc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000826658703 601299295 /nfs/dbraw/zinc/29/92/95/601299295.db2.gz WVWBFHLSAYBJJX-SFHVURJKSA-N -1 3 351.406 3.068 20 30 FGEDHM CC(C)(C)n1ncc2c1CCC[C@@H]2N[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000826529715 601306655 /nfs/dbraw/zinc/30/66/55/601306655.db2.gz XNFNINUUZUGDCX-WMZOPIPTSA-N -1 3 352.438 3.303 20 30 FGEDHM COc1ccc(CNc2ccc(OC(C)C)c(C#N)c2)cc1-c1nnn[n-]1 ZINC000826204054 607551652 /nfs/dbraw/zinc/55/16/52/607551652.db2.gz VBDLCRAWYYBGHL-UHFFFAOYSA-N -1 3 364.409 3.146 20 30 FGEDHM COc1ccc(CNc2ccc(OC(C)C)c(C#N)c2)cc1-c1nn[n-]n1 ZINC000826204054 607551653 /nfs/dbraw/zinc/55/16/53/607551653.db2.gz VBDLCRAWYYBGHL-UHFFFAOYSA-N -1 3 364.409 3.146 20 30 FGEDHM Cc1cc([C@H](C)N2CCCN(Cc3ccc(C#N)cc3)CC2)oc1C(=O)[O-] ZINC000832870569 604382357 /nfs/dbraw/zinc/38/23/57/604382357.db2.gz KHMMXFQYZZAQKY-INIZCTEOSA-N -1 3 367.449 3.427 20 30 FGEDHM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826380081 607698264 /nfs/dbraw/zinc/69/82/64/607698264.db2.gz MJFDUWMNWXEYDZ-INIZCTEOSA-N -1 3 369.388 3.103 20 30 FGEDHM N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826380081 607698266 /nfs/dbraw/zinc/69/82/66/607698266.db2.gz MJFDUWMNWXEYDZ-INIZCTEOSA-N -1 3 369.388 3.103 20 30 FGEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)[nH]1 ZINC000826384212 607733707 /nfs/dbraw/zinc/73/37/07/607733707.db2.gz LRJODDSICLXZHL-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#Cc1ccc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)[nH]1 ZINC000826384212 607733708 /nfs/dbraw/zinc/73/37/08/607733708.db2.gz LRJODDSICLXZHL-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#Cc1ccc(CNc2c(-c3nnn[n-]3)cnc3c(F)cc(F)cc32)cc1 ZINC000822825641 606224166 /nfs/dbraw/zinc/22/41/66/606224166.db2.gz JQPXBVHWVBQFDW-UHFFFAOYSA-N -1 3 363.331 3.177 20 30 FGEDHM N#Cc1ccc(CNc2c(-c3nn[n-]n3)cnc3c(F)cc(F)cc32)cc1 ZINC000822825641 606224168 /nfs/dbraw/zinc/22/41/68/606224168.db2.gz JQPXBVHWVBQFDW-UHFFFAOYSA-N -1 3 363.331 3.177 20 30 FGEDHM N#Cc1ccc(Cl)cc1NC(=O)CSc1cccc(-c2nnn[n-]2)c1 ZINC000822825283 606329221 /nfs/dbraw/zinc/32/92/21/606329221.db2.gz AUJABVNODIRBHN-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1ccc(Cl)cc1NC(=O)CSc1cccc(-c2nn[n-]n2)c1 ZINC000822825283 606329223 /nfs/dbraw/zinc/32/92/23/606329223.db2.gz AUJABVNODIRBHN-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1CCOc1cccc(-c2nn[n-]n2)c1 ZINC000822801385 606452391 /nfs/dbraw/zinc/45/23/91/606452391.db2.gz IICKGLIRQGOVFI-VQTJNVASSA-N -1 3 374.448 3.017 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822801064 606452474 /nfs/dbraw/zinc/45/24/74/606452474.db2.gz DMKDIROAGPEMDB-HKUYNNGSSA-N -1 3 362.412 3.278 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822801064 606452476 /nfs/dbraw/zinc/45/24/76/606452476.db2.gz DMKDIROAGPEMDB-HKUYNNGSSA-N -1 3 362.412 3.278 20 30 FGEDHM C=CCc1cc(OCC)ccc1OC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819759418 606460758 /nfs/dbraw/zinc/46/07/58/606460758.db2.gz XEHKOSBOFJMENR-UHFFFAOYSA-N -1 3 356.407 3.275 20 30 FGEDHM C=CCc1cc(OCC)ccc1OC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819759418 606460760 /nfs/dbraw/zinc/46/07/60/606460760.db2.gz XEHKOSBOFJMENR-UHFFFAOYSA-N -1 3 356.407 3.275 20 30 FGEDHM C=C[C@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819729093 606834111 /nfs/dbraw/zinc/83/41/11/606834111.db2.gz BVCGAJOHBJYGPX-LBPRGKRZSA-N -1 3 350.382 3.355 20 30 FGEDHM C=C[C@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819729093 606834113 /nfs/dbraw/zinc/83/41/13/606834113.db2.gz BVCGAJOHBJYGPX-LBPRGKRZSA-N -1 3 350.382 3.355 20 30 FGEDHM N#Cc1cc(Br)ccc1OCc1cc(-c2nnn[n-]2)ccc1F ZINC000822819052 607041979 /nfs/dbraw/zinc/04/19/79/607041979.db2.gz JVJAIFXDNGUPDV-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM N#Cc1cc(Br)ccc1OCc1cc(-c2nn[n-]n2)ccc1F ZINC000822819052 607041981 /nfs/dbraw/zinc/04/19/81/607041981.db2.gz JVJAIFXDNGUPDV-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM CCc1nc2ccccc2n1N=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000821509931 607146956 /nfs/dbraw/zinc/14/69/56/607146956.db2.gz PWOMFXHIGFDEGT-UHFFFAOYSA-N -1 3 356.393 3.142 20 30 FGEDHM CCc1nc2ccccc2n1N=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000821509931 607146958 /nfs/dbraw/zinc/14/69/58/607146958.db2.gz PWOMFXHIGFDEGT-UHFFFAOYSA-N -1 3 356.393 3.142 20 30 FGEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1S[C@H]1CCCc2ccc(F)cc21 ZINC000826383497 607809038 /nfs/dbraw/zinc/80/90/38/607809038.db2.gz DERLPBCZFBNACL-AWEZNQCLSA-N -1 3 367.413 3.024 20 30 FGEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1S[C@H]1CCCc2ccc(F)cc21 ZINC000826383497 607809039 /nfs/dbraw/zinc/80/90/39/607809039.db2.gz DERLPBCZFBNACL-AWEZNQCLSA-N -1 3 367.413 3.024 20 30 FGEDHM COc1cc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1OC(F)F ZINC000826176860 607884358 /nfs/dbraw/zinc/88/43/58/607884358.db2.gz HQWWZAFGFYQOLP-SOFGYWHQSA-N -1 3 372.331 3.373 20 30 FGEDHM COc1cc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1OC(F)F ZINC000826176860 607884359 /nfs/dbraw/zinc/88/43/59/607884359.db2.gz HQWWZAFGFYQOLP-SOFGYWHQSA-N -1 3 372.331 3.373 20 30 FGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826401476 607916099 /nfs/dbraw/zinc/91/60/99/607916099.db2.gz ZWBYTBVHFPPWMX-KXFIGUGUSA-N -1 3 373.731 3.464 20 30 FGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826401476 607916100 /nfs/dbraw/zinc/91/61/00/607916100.db2.gz ZWBYTBVHFPPWMX-KXFIGUGUSA-N -1 3 373.731 3.464 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCCC(F)(F)F ZINC000823909597 608156539 /nfs/dbraw/zinc/15/65/39/608156539.db2.gz KQWHFMPPZKYXRW-UHFFFAOYSA-N -1 3 353.348 3.114 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCCC(F)(F)F ZINC000823909597 608156541 /nfs/dbraw/zinc/15/65/41/608156541.db2.gz KQWHFMPPZKYXRW-UHFFFAOYSA-N -1 3 353.348 3.114 20 30 FGEDHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)c1ccc(C#N)c(Cl)c1 ZINC000825379153 608345525 /nfs/dbraw/zinc/34/55/25/608345525.db2.gz BCWNUJSELBYNPU-UHFFFAOYSA-N -1 3 366.812 3.367 20 30 FGEDHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)c1ccc(C#N)c(Cl)c1 ZINC000825379153 608345527 /nfs/dbraw/zinc/34/55/27/608345527.db2.gz BCWNUJSELBYNPU-UHFFFAOYSA-N -1 3 366.812 3.367 20 30 FGEDHM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc(N(C)C)cc1 ZINC000825029454 608533450 /nfs/dbraw/zinc/53/34/50/608533450.db2.gz SSDGCODXBVVIGP-UHFFFAOYSA-N -1 3 370.848 3.207 20 30 FGEDHM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc(N(C)C)cc1 ZINC000825029454 608533451 /nfs/dbraw/zinc/53/34/51/608533451.db2.gz SSDGCODXBVVIGP-UHFFFAOYSA-N -1 3 370.848 3.207 20 30 FGEDHM COc1cccc2cc(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)oc21 ZINC000826217938 608539282 /nfs/dbraw/zinc/53/92/82/608539282.db2.gz ITSWTXKCYOBKLD-UHFFFAOYSA-N -1 3 369.772 3.116 20 30 FGEDHM COc1cccc2cc(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)oc21 ZINC000826217938 608539284 /nfs/dbraw/zinc/53/92/84/608539284.db2.gz ITSWTXKCYOBKLD-UHFFFAOYSA-N -1 3 369.772 3.116 20 30 FGEDHM Fc1ccc(C2CC(N=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)C2)cc1 ZINC000826373978 608539581 /nfs/dbraw/zinc/53/95/81/608539581.db2.gz HCJFTFSKQWSWEN-UHFFFAOYSA-N -1 3 357.780 3.400 20 30 FGEDHM Fc1ccc(C2CC(N=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)C2)cc1 ZINC000826373978 608539582 /nfs/dbraw/zinc/53/95/82/608539582.db2.gz HCJFTFSKQWSWEN-UHFFFAOYSA-N -1 3 357.780 3.400 20 30 FGEDHM CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958560 609159749 /nfs/dbraw/zinc/15/97/49/609159749.db2.gz QQWMNGMENQJFMK-UHFFFAOYSA-N -1 3 355.333 3.059 20 30 FGEDHM CC(=NNc1cc([N+](=O)[O-])ccc1C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958560 609159751 /nfs/dbraw/zinc/15/97/51/609159751.db2.gz QQWMNGMENQJFMK-UHFFFAOYSA-N -1 3 355.333 3.059 20 30 FGEDHM O=C(/C=C/c1c(Cl)nc2sccn12)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399690 609270462 /nfs/dbraw/zinc/27/04/62/609270462.db2.gz CKQOBWVSAIAZBY-ONEGZZNKSA-N -1 3 374.788 3.265 20 30 FGEDHM CC(=NNC(=S)Nc1ccc(C)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953549 609273611 /nfs/dbraw/zinc/27/36/11/609273611.db2.gz GBUHXFGBNLBFQQ-UHFFFAOYSA-N -1 3 369.429 3.025 20 30 FGEDHM CC(=NNC(=S)Nc1ccc(C)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953549 609273612 /nfs/dbraw/zinc/27/36/12/609273612.db2.gz GBUHXFGBNLBFQQ-UHFFFAOYSA-N -1 3 369.429 3.025 20 30 FGEDHM Cn1cc(C=CC(=O)c2cccc(F)c2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359614 609307628 /nfs/dbraw/zinc/30/76/28/609307628.db2.gz MAZWPERLDAUPRZ-KTKRTIGZSA-N -1 3 374.379 3.302 20 30 FGEDHM Cn1cc(C=CC(=O)c2cccc(F)c2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359614 609307631 /nfs/dbraw/zinc/30/76/31/609307631.db2.gz MAZWPERLDAUPRZ-KTKRTIGZSA-N -1 3 374.379 3.302 20 30 FGEDHM CCc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000825704908 609309315 /nfs/dbraw/zinc/30/93/15/609309315.db2.gz PTKHNXLYXGGHDC-NTMALXAHSA-N -1 3 374.404 3.319 20 30 FGEDHM CCc1ccc(C(=O)C=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000825704908 609309317 /nfs/dbraw/zinc/30/93/17/609309317.db2.gz PTKHNXLYXGGHDC-NTMALXAHSA-N -1 3 374.404 3.319 20 30 FGEDHM N#Cc1ccc(COc2ccc(-c3nnn[n-]3)c(F)c2)c(Br)c1 ZINC000826385071 609311605 /nfs/dbraw/zinc/31/16/05/609311605.db2.gz VWLCYQQTNZROPL-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM N#Cc1ccc(COc2ccc(-c3nn[n-]n3)c(F)c2)c(Br)c1 ZINC000826385071 609311607 /nfs/dbraw/zinc/31/16/07/609311607.db2.gz VWLCYQQTNZROPL-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM C=CCc1cc(CNc2cccc(-c3nnn[n-]3)c2C)cc(OC)c1O ZINC000823937293 609484897 /nfs/dbraw/zinc/48/48/97/609484897.db2.gz QFAKHPCPJNHZEV-UHFFFAOYSA-N -1 3 351.410 3.230 20 30 FGEDHM C=CCc1cc(CNc2cccc(-c3nn[n-]n3)c2C)cc(OC)c1O ZINC000823937293 609484899 /nfs/dbraw/zinc/48/48/99/609484899.db2.gz QFAKHPCPJNHZEV-UHFFFAOYSA-N -1 3 351.410 3.230 20 30 FGEDHM C[C@]1(C#N)CCCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000824778809 609600592 /nfs/dbraw/zinc/60/05/92/609600592.db2.gz QQLPIKCCHWXXKE-QGZVFWFLSA-N -1 3 353.817 3.198 20 30 FGEDHM C[C@]1(C#N)CCCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000824778809 609600593 /nfs/dbraw/zinc/60/05/93/609600593.db2.gz QQLPIKCCHWXXKE-QGZVFWFLSA-N -1 3 353.817 3.198 20 30 FGEDHM Cc1ncc(CO)c(/C=N/Cc2cc(Cl)c3c(c2)OCCCO3)c1[O-] ZINC000005111129 695545972 /nfs/dbraw/zinc/54/59/72/695545972.db2.gz BFRIAQJXUZJPIS-AWQFTUOYSA-N -1 3 362.813 3.022 20 30 FGEDHM [O-]c1ccc(Br)cc1/C=N/C[C@H](O)COc1ccc(F)cc1 ZINC000122246991 700686587 /nfs/dbraw/zinc/68/65/87/700686587.db2.gz HXBMMPCIYJICEP-YUYIWDJPSA-N -1 3 368.202 3.153 20 30 FGEDHM Cc1cc(I)ccc1N=Cc1ccc(O)c([O-])c1O ZINC000255197135 713687545 /nfs/dbraw/zinc/68/75/45/713687545.db2.gz VJUQWIHUYPRRES-UHFFFAOYSA-N -1 3 369.158 3.467 20 30 FGEDHM CCOC(=O)c1ncc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)[n-]1 ZINC000619446613 714836868 /nfs/dbraw/zinc/83/68/68/714836868.db2.gz QDFDVSGCOCJQOV-UHFFFAOYSA-N -1 3 353.165 3.017 20 30 FGEDHM CCOC(=O)c1nc(NC(=O)c2c(Cl)cc(C#N)cc2Cl)c[n-]1 ZINC000619446613 714836869 /nfs/dbraw/zinc/83/68/69/714836869.db2.gz QDFDVSGCOCJQOV-UHFFFAOYSA-N -1 3 353.165 3.017 20 30 FGEDHM N#CC(=C([O-])c1cc(Br)cc(N2CCCC2)c1)c1ccncn1 ZINC000659115049 719860034 /nfs/dbraw/zinc/86/00/34/719860034.db2.gz OCIFBRQPNLOOHO-HNNXBMFYSA-N -1 3 371.238 3.329 20 30 FGEDHM CCOc1cc(C=NNc2ccccc2S(C)(=O)=O)cc(Cl)c1[O-] ZINC000731932675 722479433 /nfs/dbraw/zinc/47/94/33/722479433.db2.gz AFOLVPOILRPVNP-UHFFFAOYSA-N -1 3 368.842 3.294 20 30 FGEDHM C=CCCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000735529459 722517261 /nfs/dbraw/zinc/51/72/61/722517261.db2.gz BLFYBFYERIKHTR-UHFFFAOYSA-N -1 3 352.387 3.078 20 30 FGEDHM CCO[C@H]1CC(=N[N-]S(=O)(=O)Cc2ccccc2)C12CCCCC2 ZINC000741461575 722546106 /nfs/dbraw/zinc/54/61/06/722546106.db2.gz LDNLXBSFUPVDQO-KRWDZBQOSA-N -1 3 350.484 3.221 20 30 FGEDHM Cc1ncc(CO)c(C=Nc2ccccc2OCc2cscn2)c1[O-] ZINC000749451917 722729145 /nfs/dbraw/zinc/72/91/45/722729145.db2.gz LVJGHOGQLRMBRA-UHFFFAOYSA-N -1 3 355.419 3.374 20 30 FGEDHM CCCCCCCCCN(C)C(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000751364991 722802940 /nfs/dbraw/zinc/80/29/40/722802940.db2.gz RENHQTSZJHDXCM-UHFFFAOYSA-N -1 3 358.504 3.319 20 30 FGEDHM N#Cc1ccc(-n2ccc(NC(=O)c3cccc(O)c3[O-])n2)c(Cl)c1 ZINC000790925679 723194239 /nfs/dbraw/zinc/19/42/39/723194239.db2.gz DPNTUWQXSLXHJQ-UHFFFAOYSA-N -1 3 354.753 3.061 20 30 FGEDHM COc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)s1 ZINC000763141512 723316482 /nfs/dbraw/zinc/31/64/82/723316482.db2.gz LWSBWFAREXCUQZ-ZDUSSCGKSA-N -1 3 374.447 3.032 20 30 FGEDHM CC(C)CCn1cc(C(=O)[N-]c2cc(C#N)cc([N+](=O)[O-])c2Cl)nn1 ZINC000764307856 723405997 /nfs/dbraw/zinc/40/59/97/723405997.db2.gz VUATUQQFRFBKDC-UHFFFAOYSA-N -1 3 362.777 3.010 20 30 FGEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)nc1Cl ZINC000766841121 723595206 /nfs/dbraw/zinc/59/52/06/723595206.db2.gz RVTCJHISCFZZOR-SECBINFHSA-N -1 3 364.188 3.358 20 30 FGEDHM C#C[C@@H]([N-]S(=O)(=O)c1cnc(CC)s1)c1ccc(Cl)cc1F ZINC000796083043 723620082 /nfs/dbraw/zinc/62/00/82/723620082.db2.gz CKDYSHLABPSZKV-GFCCVEGCSA-N -1 3 358.847 3.151 20 30 FGEDHM CCOC(=O)c1ccc(NC(=O)C(C#N)=C([O-])c2csc(C)c2)cc1 ZINC000796792172 723655141 /nfs/dbraw/zinc/65/51/41/723655141.db2.gz JFERFSWBINUNSM-HNNXBMFYSA-N -1 3 356.403 3.194 20 30 FGEDHM C=CCCCC[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000770273287 723709925 /nfs/dbraw/zinc/70/99/25/723709925.db2.gz CGEGKKMFAPPHFP-UHFFFAOYSA-N -1 3 366.266 3.415 20 30 FGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000798467095 723934722 /nfs/dbraw/zinc/93/47/22/723934722.db2.gz KHNCBAQXJVDAKQ-SECBINFHSA-N -1 3 351.877 3.130 20 30 FGEDHM C=C[C@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000785857147 724943162 /nfs/dbraw/zinc/94/31/62/724943162.db2.gz QYOOIPQPGJDGGP-AWEZNQCLSA-N -1 3 368.474 3.083 20 30 FGEDHM C#CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccnc1C(F)(F)F ZINC000805104384 725049769 /nfs/dbraw/zinc/04/97/69/725049769.db2.gz VOWYSXOHJGFLSS-AWEZNQCLSA-N -1 3 368.380 3.013 20 30 FGEDHM CCC(=NNc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc([O-])c(F)c1 ZINC000812228227 725391083 /nfs/dbraw/zinc/39/10/83/725391083.db2.gz IAQXQNQYGHBOMR-UHFFFAOYSA-N -1 3 365.430 3.008 20 30 FGEDHM CC1(C)CC(=N[N-]S(=O)(=O)CCc2ccccc2)c2sccc2O1 ZINC000814859406 727006571 /nfs/dbraw/zinc/00/65/71/727006571.db2.gz STIXWXRXHIHQSS-UHFFFAOYSA-N -1 3 364.492 3.175 20 30 FGEDHM O=C(/C=C/c1ccc(-c2ccc(F)cc2)s1)N[C@@H]1CCCN([O-])C1=O ZINC000820471341 728997553 /nfs/dbraw/zinc/99/75/53/728997553.db2.gz SYQKXOIHJSQDTJ-TUPIDYKKSA-N -1 3 360.410 3.064 20 30 FGEDHM O=C1c2cc(Cl)ccc2OCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826475323 729408464 /nfs/dbraw/zinc/40/84/64/729408464.db2.gz CCSCLOYVCDUZRK-VZUCSPMQSA-N -1 3 356.744 3.318 20 30 FGEDHM O=C1c2cc(Cl)ccc2OCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826475323 729408465 /nfs/dbraw/zinc/40/84/65/729408465.db2.gz CCSCLOYVCDUZRK-VZUCSPMQSA-N -1 3 356.744 3.318 20 30 FGEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cnn2c1CCC2 ZINC000835064103 729854567 /nfs/dbraw/zinc/85/45/67/729854567.db2.gz DKRYBFWJHMBQMY-GFCCVEGCSA-N -1 3 363.204 3.097 20 30 FGEDHM Cc1ncc(CO)c(/C=N/CCOc2ccc(Cl)c(Cl)c2)c1[O-] ZINC000840704675 730164401 /nfs/dbraw/zinc/16/44/01/730164401.db2.gz AHPOHZTVLLEJOC-UFWORHAWSA-N -1 3 355.221 3.393 20 30 FGEDHM N#CCCCCN1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000852672400 731616901 /nfs/dbraw/zinc/61/69/01/731616901.db2.gz AQMKNLZUSLLKMD-HZPDHXFCSA-N -1 3 353.388 3.217 20 30 FGEDHM C=C(Cl)C[C@H](NCc1cc(Br)cc2c1OCC2)C(=O)[O-] ZINC000864518121 733071518 /nfs/dbraw/zinc/07/15/18/733071518.db2.gz CSGAMGZTKTWXAX-LBPRGKRZSA-N -1 3 360.635 3.069 20 30 FGEDHM N#Cc1ccc(SCc2nc3c(c(=O)[n-]2)COCC3)cc1C(F)(F)F ZINC000865362939 733186120 /nfs/dbraw/zinc/18/61/20/733186120.db2.gz KIXNCKACSSRCGS-UHFFFAOYSA-N -1 3 367.352 3.438 20 30 FGEDHM C[C@H](NCc1ccncc1OCC(F)(F)F)c1cccc(C#N)c1[O-] ZINC000866354370 733339191 /nfs/dbraw/zinc/33/91/91/733339191.db2.gz ZLPBORBPDQLYPA-NSHDSACASA-N -1 3 351.328 3.451 20 30 FGEDHM CCn1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c(C2CC2)n1 ZINC000870138109 733815953 /nfs/dbraw/zinc/81/59/53/733815953.db2.gz BSGNAKCIZBJIAF-GFCCVEGCSA-N -1 3 356.813 3.395 20 30 FGEDHM CC(C)(C#N)c1ccccc1CN1CC[C@@](C)([N-]C(=O)C(F)(F)F)C1 ZINC000879764983 737043052 /nfs/dbraw/zinc/04/30/52/737043052.db2.gz KYDIJKWIJMKCFY-QGZVFWFLSA-N -1 3 353.388 3.131 20 30 FGEDHM O=C(c1nc(Br)c2ccccn21)N([O-])Cc1ccc(F)cc1 ZINC000900094495 743063450 /nfs/dbraw/zinc/06/34/50/743063450.db2.gz NMFAFGNOJSHZLY-UHFFFAOYSA-N -1 3 364.174 3.268 20 30 FGEDHM O=C(c1ccc(Cl)c(N2CCNC2=O)c1)N([O-])Cc1ccc(F)cc1 ZINC000901371584 743262071 /nfs/dbraw/zinc/26/20/71/743262071.db2.gz FHSAOUYHJATBJP-UHFFFAOYSA-N -1 3 363.776 3.040 20 30 FGEDHM CNC(=O)c1cccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c1 ZINC000901378503 743262709 /nfs/dbraw/zinc/26/27/09/743262709.db2.gz LKOABSFNTNXFMH-UHFFFAOYSA-N -1 3 353.205 3.385 20 30 FGEDHM O=C(Cc1cc(Cl)c2c(c1)OCCO2)N([O-])Cc1ccc(F)cc1 ZINC000901376584 743263012 /nfs/dbraw/zinc/26/30/12/743263012.db2.gz WKYDNUDOVAEAOD-UHFFFAOYSA-N -1 3 351.761 3.211 20 30 FGEDHM Cc1cn2c(n1)C[C@@H](C(=O)N([O-])Cc1cc(Cl)cc(Cl)c1)CC2 ZINC000904178214 743935702 /nfs/dbraw/zinc/93/57/02/743935702.db2.gz CFBOAIOPYVFATD-LBPRGKRZSA-N -1 3 354.237 3.479 20 30 FGEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCC[C@H](CC#N)C2)s1 ZINC000912294626 757302504 /nfs/dbraw/zinc/30/25/04/757302504.db2.gz BYGCMZLEXQHRAU-LLVKDONJSA-N -1 3 350.444 3.256 20 30 FGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CCCC)CCCC)ccc1F ZINC000914471660 757782373 /nfs/dbraw/zinc/78/23/73/757782373.db2.gz KCGFSAWELGAAKH-UHFFFAOYSA-N -1 3 370.490 3.332 20 30 FGEDHM CCCCn1nc(C)c(C=N[N-]S(=O)(=O)Cc2ccccc2)c1Cl ZINC000920383045 758546826 /nfs/dbraw/zinc/54/68/26/758546826.db2.gz FKCDQYUZHUGYLD-UHFFFAOYSA-N -1 3 368.890 3.099 20 30 FGEDHM N#Cc1cc(Cl)cc(CN2CCC[C@@H](C[N-]C(=O)C(F)(F)F)C2)c1 ZINC000930520891 760631457 /nfs/dbraw/zinc/63/14/57/760631457.db2.gz RKKUZBLFEKOWTH-NSHDSACASA-N -1 3 359.779 3.102 20 30 FGEDHM C=CC[C@H]1CCN1[C@H](C)c1nc(=O)c2c(C)c(C(=O)OCC)sc2[n-]1 ZINC000934467801 761633770 /nfs/dbraw/zinc/63/37/70/761633770.db2.gz VJUZHISDTFIUTI-NEPJUHHUSA-N -1 3 361.467 3.181 20 30 FGEDHM C=CC(C)(C)C[N-]S(=O)(=O)c1cc(Br)c(F)cc1OC ZINC000568109075 505618872 /nfs/dbraw/zinc/61/88/72/505618872.db2.gz YKAYQYOTZTYRFL-UHFFFAOYSA-N -1 3 366.252 3.087 20 30 FGEDHM C=CCCCCC[N-]S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 ZINC000573815125 505627827 /nfs/dbraw/zinc/62/78/27/505627827.db2.gz LXDNJHIUUZFLFU-UHFFFAOYSA-N -1 3 356.875 3.249 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CSc2ccccc21 ZINC000571155684 505666646 /nfs/dbraw/zinc/66/66/46/505666646.db2.gz CKMPAOMBYYLBOF-CQSZACIVSA-N -1 3 367.474 3.214 20 30 FGEDHM C=CCN(CC=C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000028492137 493791694 /nfs/dbraw/zinc/79/16/94/493791694.db2.gz QMKGABLCBHJUAT-UHFFFAOYSA-N -1 3 374.437 3.441 20 30 FGEDHM N#CC(=C([O-])c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1nc2ccccc2[nH]1 ZINC000048813526 493847668 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/nfs/dbraw/zinc/19/64/77/507196477.db2.gz OLLCKCWJKJDZIN-UHFFFAOYSA-N -1 3 362.433 3.132 20 30 FGEDHM CO[C@H](CS(=O)(=O)[N-]c1cccc(OCCCC#N)c1)C1CCCC1 ZINC000594694134 507242555 /nfs/dbraw/zinc/24/25/55/507242555.db2.gz GYDGBBIGGKISIT-GOSISDBHSA-N -1 3 366.483 3.316 20 30 FGEDHM C=CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000594789337 507279983 /nfs/dbraw/zinc/27/99/83/507279983.db2.gz LNNIKHPQUWMISE-GXTWGEPZSA-N -1 3 355.431 3.026 20 30 FGEDHM COc1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCCc2cc(C#N)ccc21 ZINC000592057361 507467982 /nfs/dbraw/zinc/46/79/82/507467982.db2.gz JXIHRUAPBQHWSY-INIZCTEOSA-N -1 3 360.410 3.062 20 30 FGEDHM CN1CCC(Nc2ccccc2NC(=O)c2cc([O-])cc(C#N)c2)CC1 ZINC000614368493 507483299 /nfs/dbraw/zinc/48/32/99/507483299.db2.gz VODIWHOLBJZDGP-UHFFFAOYSA-N -1 3 350.422 3.022 20 30 FGEDHM CC(C)(CC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccccc1 ZINC000611016281 507483726 /nfs/dbraw/zinc/48/37/26/507483726.db2.gz OKZHZEJFYUDMPB-UHFFFAOYSA-N -1 3 373.434 3.113 20 30 FGEDHM Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(C#N)cc2C(F)(F)F)n1 ZINC000595525448 507544961 /nfs/dbraw/zinc/54/49/61/507544961.db2.gz GMTAITHIAQUJCW-UHFFFAOYSA-N -1 3 350.344 3.406 20 30 FGEDHM Cc1cnc2nc(C(=O)[N-]c3sc4c(c3C#N)[C@@H](C)[C@@H](C)CC4)nn2c1 ZINC000598837414 507628680 /nfs/dbraw/zinc/62/86/80/507628680.db2.gz DLVSTLZPJKVHEN-QWRGUYRKSA-N -1 3 366.450 3.304 20 30 FGEDHM COC(=O)COc1ccc(C([O-])=C(C#N)c2nc(C3CC3)cs2)cc1 ZINC000592399066 507640299 /nfs/dbraw/zinc/64/02/99/507640299.db2.gz KUPXSNHPVFXQTC-CQSZACIVSA-N -1 3 356.403 3.062 20 30 FGEDHM COCC[C@@](C)(C#N)[N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl ZINC000586755677 507660225 /nfs/dbraw/zinc/66/02/25/507660225.db2.gz GGBCXXIXJACTKX-AWEZNQCLSA-N -1 3 365.282 3.207 20 30 FGEDHM COC(=O)c1cc(Cl)cc(NC(=O)c2c(F)cc(C#N)cc2F)c1[O-] ZINC000588098323 507761880 /nfs/dbraw/zinc/76/18/80/507761880.db2.gz NQNFCNZJRTVZNE-UHFFFAOYSA-N -1 3 366.707 3.234 20 30 FGEDHM COC(=O)c1cc(Cl)cc([N-]C(=O)c2c(F)cc(C#N)cc2F)c1O ZINC000588098323 507761885 /nfs/dbraw/zinc/76/18/85/507761885.db2.gz NQNFCNZJRTVZNE-UHFFFAOYSA-N -1 3 366.707 3.234 20 30 FGEDHM N#Cc1cc(NC(=O)c2ccc(-c3ccccc3F)o2)ccc1-c1nnn[n-]1 ZINC000737707678 598915500 /nfs/dbraw/zinc/91/55/00/598915500.db2.gz BCUNYUHVOSKJLG-UHFFFAOYSA-N -1 3 374.335 3.390 20 30 FGEDHM N#Cc1cc(NC(=O)c2ccc(-c3ccccc3F)o2)ccc1-c1nn[n-]n1 ZINC000737707678 598915502 /nfs/dbraw/zinc/91/55/02/598915502.db2.gz BCUNYUHVOSKJLG-UHFFFAOYSA-N -1 3 374.335 3.390 20 30 FGEDHM N#Cc1cc(NC(=O)Cc2cccc3ccccc32)ccc1-c1nnn[n-]1 ZINC000737710221 598919197 /nfs/dbraw/zinc/91/91/97/598919197.db2.gz VSHWJENGNYVDTR-UHFFFAOYSA-N -1 3 354.373 3.073 20 30 FGEDHM N#Cc1cc(NC(=O)Cc2cccc3ccccc32)ccc1-c1nn[n-]n1 ZINC000737710221 598919198 /nfs/dbraw/zinc/91/91/98/598919198.db2.gz VSHWJENGNYVDTR-UHFFFAOYSA-N -1 3 354.373 3.073 20 30 FGEDHM N#Cc1ccc(NC(=O)CCc2ccc3ccccc3c2)cc1-c1nnn[n-]1 ZINC000737716229 598928751 /nfs/dbraw/zinc/92/87/51/598928751.db2.gz NBSXJSDUGGKBOZ-UHFFFAOYSA-N -1 3 368.400 3.463 20 30 FGEDHM N#Cc1ccc(NC(=O)CCc2ccc3ccccc3c2)cc1-c1nn[n-]n1 ZINC000737716229 598928753 /nfs/dbraw/zinc/92/87/53/598928753.db2.gz NBSXJSDUGGKBOZ-UHFFFAOYSA-N -1 3 368.400 3.463 20 30 FGEDHM O=C1C(=CC2=Cc3ccccc3OC2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823498585 599114534 /nfs/dbraw/zinc/11/45/34/599114534.db2.gz VJRMASZJOSHOMC-MHWRWJLKSA-N -1 3 356.385 3.398 20 30 FGEDHM O=C1C(=CC2=Cc3ccccc3OC2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823498585 599114537 /nfs/dbraw/zinc/11/45/37/599114537.db2.gz VJRMASZJOSHOMC-MHWRWJLKSA-N -1 3 356.385 3.398 20 30 FGEDHM O=C1C(=Cc2cnn(-c3ccccc3)c2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503330 599117001 /nfs/dbraw/zinc/11/70/01/599117001.db2.gz CZHOEUMGIKARDM-MHWRWJLKSA-N -1 3 368.400 3.265 20 30 FGEDHM O=C1C(=Cc2cnn(-c3ccccc3)c2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503330 599117004 /nfs/dbraw/zinc/11/70/04/599117004.db2.gz CZHOEUMGIKARDM-MHWRWJLKSA-N -1 3 368.400 3.265 20 30 FGEDHM COc1ccc(C=C2C(=O)c3c(c(F)ccc3O)[C@@H]2C)cc1-c1nnn[n-]1 ZINC000737082650 599153886 /nfs/dbraw/zinc/15/38/86/599153886.db2.gz KMUZKUKHYXJJTQ-MDXIRLPMSA-N -1 3 366.352 3.103 20 30 FGEDHM O=C(C=Cc1ccc(OCC(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000737797620 599156210 /nfs/dbraw/zinc/15/62/10/599156210.db2.gz RDAWXZHOTLUTOT-RMKNXTFCSA-N -1 3 356.332 3.407 20 30 FGEDHM O=C(C=Cc1ccc(OCC(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000737797620 599156212 /nfs/dbraw/zinc/15/62/12/599156212.db2.gz RDAWXZHOTLUTOT-RMKNXTFCSA-N -1 3 356.332 3.407 20 30 FGEDHM O=C(/C=C\c1cccc(-c2nn[n-]n2)c1)c1c(Cl)nc2sccn21 ZINC000737801083 599158158 /nfs/dbraw/zinc/15/81/58/599158158.db2.gz RUCSKSNMTDNMBJ-PLNGDYQASA-N -1 3 356.798 3.125 20 30 FGEDHM N#Cc1ccc(OCCCSc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000737722304 599167832 /nfs/dbraw/zinc/16/78/32/599167832.db2.gz RZKQVYTXDNGTCT-UHFFFAOYSA-N -1 3 355.398 3.439 20 30 FGEDHM N#Cc1ccc(OCCCSc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000737722304 599167833 /nfs/dbraw/zinc/16/78/33/599167833.db2.gz RZKQVYTXDNGTCT-UHFFFAOYSA-N -1 3 355.398 3.439 20 30 FGEDHM C#CCCCNC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000819693124 599191493 /nfs/dbraw/zinc/19/14/93/599191493.db2.gz NWCXCTQDVXLWMI-UHFFFAOYSA-N -1 3 363.446 3.161 20 30 FGEDHM C#CCCCNC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000819693124 599191496 /nfs/dbraw/zinc/19/14/96/599191496.db2.gz NWCXCTQDVXLWMI-UHFFFAOYSA-N -1 3 363.446 3.161 20 30 FGEDHM N#Cc1cc(NC(=O)c2cc3ccc(F)cc3s2)ccc1-c1nnn[n-]1 ZINC000737709161 599196294 /nfs/dbraw/zinc/19/62/94/599196294.db2.gz KDMOLUUUPZNLOU-UHFFFAOYSA-N -1 3 364.365 3.344 20 30 FGEDHM N#Cc1cc(NC(=O)c2cc3ccc(F)cc3s2)ccc1-c1nn[n-]n1 ZINC000737709161 599196297 /nfs/dbraw/zinc/19/62/97/599196297.db2.gz KDMOLUUUPZNLOU-UHFFFAOYSA-N -1 3 364.365 3.344 20 30 FGEDHM N#Cc1cc(NC(=O)c2nc(-c3ccccc3)cs2)ccc1-c1nnn[n-]1 ZINC000737708902 599198178 /nfs/dbraw/zinc/19/81/78/599198178.db2.gz HQBZVOCGQNHBBT-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM N#Cc1cc(NC(=O)c2nc(-c3ccccc3)cs2)ccc1-c1nn[n-]n1 ZINC000737708902 599198180 /nfs/dbraw/zinc/19/81/80/599198180.db2.gz HQBZVOCGQNHBBT-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM C=CC[C@@H](C)NC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735409961 599203542 /nfs/dbraw/zinc/20/35/42/599203542.db2.gz PZASQAOQVLSOCD-CQSZACIVSA-N -1 3 363.421 3.140 20 30 FGEDHM C=CCOc1ccccc1CNC(=O)Nc1cccc(-c2nnn[n-]2)c1C ZINC000819759003 607284588 /nfs/dbraw/zinc/28/45/88/607284588.db2.gz KOFLANVWJWYUTK-UHFFFAOYSA-N -1 3 364.409 3.062 20 30 FGEDHM C=CCOc1ccccc1CNC(=O)Nc1cccc(-c2nn[n-]n2)c1C ZINC000819759003 607284589 /nfs/dbraw/zinc/28/45/89/607284589.db2.gz KOFLANVWJWYUTK-UHFFFAOYSA-N -1 3 364.409 3.062 20 30 FGEDHM CCCN(Cc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821109831 607305452 /nfs/dbraw/zinc/30/54/52/607305452.db2.gz QKDNUFQNBXSDAG-UHFFFAOYSA-N -1 3 363.381 3.063 20 30 FGEDHM CCCN(Cc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821109831 607305453 /nfs/dbraw/zinc/30/54/53/607305453.db2.gz QKDNUFQNBXSDAG-UHFFFAOYSA-N -1 3 363.381 3.063 20 30 FGEDHM C#CCCCNC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819692394 599280136 /nfs/dbraw/zinc/28/01/36/599280136.db2.gz FFIYJMULKLWJEH-UHFFFAOYSA-N -1 3 362.393 3.194 20 30 FGEDHM C#CCCCNC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819692394 599280139 /nfs/dbraw/zinc/28/01/39/599280139.db2.gz FFIYJMULKLWJEH-UHFFFAOYSA-N -1 3 362.393 3.194 20 30 FGEDHM O=C1c2cc(Br)ccc2OC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738289654 598358141 /nfs/dbraw/zinc/35/81/41/598358141.db2.gz LBKPPEGHADJQTD-VGOFMYFVSA-N -1 3 369.178 3.245 20 30 FGEDHM O=C1c2cc(Br)ccc2OC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738289654 598358143 /nfs/dbraw/zinc/35/81/43/598358143.db2.gz LBKPPEGHADJQTD-VGOFMYFVSA-N -1 3 369.178 3.245 20 30 FGEDHM O=C1c2cc(Br)ccc2OC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000738291038 598358381 /nfs/dbraw/zinc/35/83/81/598358381.db2.gz RRSKNUOWIUDKGE-AUWJEWJLSA-N -1 3 369.178 3.245 20 30 FGEDHM O=C1c2cc(Br)ccc2OC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000738291038 598358383 /nfs/dbraw/zinc/35/83/83/598358383.db2.gz RRSKNUOWIUDKGE-AUWJEWJLSA-N -1 3 369.178 3.245 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccccc2Cl)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203378 598378633 /nfs/dbraw/zinc/37/86/33/598378633.db2.gz UBHIESAEUBVUJW-CMDGGOBGSA-N -1 3 353.813 3.472 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccccc2Cl)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203378 598378635 /nfs/dbraw/zinc/37/86/35/598378635.db2.gz UBHIESAEUBVUJW-CMDGGOBGSA-N -1 3 353.813 3.472 20 30 FGEDHM N#C[C@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1c(Cl)cccc1Cl ZINC000737676708 598383388 /nfs/dbraw/zinc/38/33/88/598383388.db2.gz XHGOALAQLZKWBM-ZDUSSCGKSA-N -1 3 373.203 3.168 20 30 FGEDHM N#C[C@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1c(Cl)cccc1Cl ZINC000737676708 598383389 /nfs/dbraw/zinc/38/33/89/598383389.db2.gz XHGOALAQLZKWBM-ZDUSSCGKSA-N -1 3 373.203 3.168 20 30 FGEDHM N#Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)nc1 ZINC000737710976 598446099 /nfs/dbraw/zinc/44/60/99/598446099.db2.gz DGSJINRCZPYGOH-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM N#Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)nc1 ZINC000737710976 598446100 /nfs/dbraw/zinc/44/61/00/598446100.db2.gz DGSJINRCZPYGOH-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM C=C(C)COc1cccc(NC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735402356 598475618 /nfs/dbraw/zinc/47/56/18/598475618.db2.gz SBFPIZBGGVFKHW-UHFFFAOYSA-N -1 3 364.409 3.143 20 30 FGEDHM C=C(C)COc1cccc(NC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735402356 598475619 /nfs/dbraw/zinc/47/56/19/598475619.db2.gz SBFPIZBGGVFKHW-UHFFFAOYSA-N -1 3 364.409 3.143 20 30 FGEDHM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1Cl ZINC000737674780 598536546 /nfs/dbraw/zinc/53/65/46/598536546.db2.gz LNQSFTDKUFGLQP-ZDUSSCGKSA-N -1 3 373.203 3.168 20 30 FGEDHM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1Cl ZINC000737674780 598536548 /nfs/dbraw/zinc/53/65/48/598536548.db2.gz LNQSFTDKUFGLQP-ZDUSSCGKSA-N -1 3 373.203 3.168 20 30 FGEDHM N#Cc1ccccc1OCCSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737727881 598697049 /nfs/dbraw/zinc/69/70/49/598697049.db2.gz UFRHIDLSDITPJG-UHFFFAOYSA-N -1 3 355.398 3.190 20 30 FGEDHM N#Cc1ccccc1OCCSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737727881 598697050 /nfs/dbraw/zinc/69/70/50/598697050.db2.gz UFRHIDLSDITPJG-UHFFFAOYSA-N -1 3 355.398 3.190 20 30 FGEDHM N#Cc1ccc(OCCCn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000737722175 598698783 /nfs/dbraw/zinc/69/87/83/598698783.db2.gz PHKKURWBGWKLKW-UHFFFAOYSA-N -1 3 371.404 3.071 20 30 FGEDHM N#Cc1ccc(OCCCn2ccc(-c3ccc(-c4nn[n-]n4)cc3)n2)cc1 ZINC000737722175 598698785 /nfs/dbraw/zinc/69/87/85/598698785.db2.gz PHKKURWBGWKLKW-UHFFFAOYSA-N -1 3 371.404 3.071 20 30 FGEDHM Cc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737379205 598734102 /nfs/dbraw/zinc/73/41/02/598734102.db2.gz FVUUAMFAZUYPJI-KTKRTIGZSA-N -1 3 356.389 3.461 20 30 FGEDHM Cc1cccc(-c2n[nH]cc2C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737379205 598734104 /nfs/dbraw/zinc/73/41/04/598734104.db2.gz FVUUAMFAZUYPJI-KTKRTIGZSA-N -1 3 356.389 3.461 20 30 FGEDHM N#Cc1ccc(NC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)nc1 ZINC000737719123 598805057 /nfs/dbraw/zinc/80/50/57/598805057.db2.gz OXDVNMWKZQRGSG-UHFFFAOYSA-N -1 3 367.372 3.053 20 30 FGEDHM N#Cc1ccc(NC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)nc1 ZINC000737719123 598805058 /nfs/dbraw/zinc/80/50/58/598805058.db2.gz OXDVNMWKZQRGSG-UHFFFAOYSA-N -1 3 367.372 3.053 20 30 FGEDHM Cc1ccc2ncc(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)n2c1 ZINC000822280687 607368224 /nfs/dbraw/zinc/36/82/24/607368224.db2.gz WBRJOVGPOKMSBY-NTEUORMPSA-N -1 3 356.389 3.035 20 30 FGEDHM Cc1ccc2ncc(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)n2c1 ZINC000822280687 607368225 /nfs/dbraw/zinc/36/82/25/607368225.db2.gz WBRJOVGPOKMSBY-NTEUORMPSA-N -1 3 356.389 3.035 20 30 FGEDHM C=C(C)CN(CC)C(=O)[C@@H](C)S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735399657 599329238 /nfs/dbraw/zinc/32/92/38/599329238.db2.gz SCYPJSNBWJSVAI-ZIAGYGMSSA-N -1 3 359.499 3.474 20 30 FGEDHM C=C(C)CN(CC)C(=O)[C@@H](C)S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735399657 599329241 /nfs/dbraw/zinc/32/92/41/599329241.db2.gz SCYPJSNBWJSVAI-ZIAGYGMSSA-N -1 3 359.499 3.474 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1c[nH]c2cc(F)ccc12 ZINC000737804660 599464105 /nfs/dbraw/zinc/46/41/05/599464105.db2.gz DHSXLYTXICKNCJ-HWKANZROSA-N -1 3 373.351 3.031 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1c[nH]c2cc(F)ccc12 ZINC000737804660 599464106 /nfs/dbraw/zinc/46/41/06/599464106.db2.gz DHSXLYTXICKNCJ-HWKANZROSA-N -1 3 373.351 3.031 20 30 FGEDHM O=C(C=Cc1cccc(-c2nnn[n-]2)c1)c1c(Cl)nc2ccccn21 ZINC000737800176 599538460 /nfs/dbraw/zinc/53/84/60/599538460.db2.gz PXCHHFFCSMLZMF-BQYQJAHWSA-N -1 3 350.769 3.064 20 30 FGEDHM O=C(C=Cc1cccc(-c2nn[n-]n2)c1)c1c(Cl)nc2ccccn21 ZINC000737800176 599538461 /nfs/dbraw/zinc/53/84/61/599538461.db2.gz PXCHHFFCSMLZMF-BQYQJAHWSA-N -1 3 350.769 3.064 20 30 FGEDHM C=CCN(CC=C)C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735418847 599560968 /nfs/dbraw/zinc/56/09/68/599560968.db2.gz KDHRULKSLGSYFQ-UHFFFAOYSA-N -1 3 360.421 3.425 20 30 FGEDHM C=CCC[C@@H](NC(=O)NCc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819734796 607388454 /nfs/dbraw/zinc/38/84/54/607388454.db2.gz UEFIQRCRMFIMKZ-GOSISDBHSA-N -1 3 362.437 3.373 20 30 FGEDHM C=CCC[C@@H](NC(=O)NCc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819734796 607388456 /nfs/dbraw/zinc/38/84/56/607388456.db2.gz UEFIQRCRMFIMKZ-GOSISDBHSA-N -1 3 362.437 3.373 20 30 FGEDHM COc1cc([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc(OC)c1OC ZINC000737868828 600593486 /nfs/dbraw/zinc/59/34/86/600593486.db2.gz RPPHNNKFZCHLDA-KZULUSFZSA-N -1 3 370.405 3.061 20 30 FGEDHM N#Cc1ccc([C@@H](NCc2ccc(N3CCCCCC3)nc2)C(=O)[O-])cc1 ZINC000739106378 600595093 /nfs/dbraw/zinc/59/50/93/600595093.db2.gz LZRNVZORTWPCLW-HXUWFJFHSA-N -1 3 364.449 3.249 20 30 FGEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNc1ccc(Br)cc1 ZINC000822741048 607463936 /nfs/dbraw/zinc/46/39/36/607463936.db2.gz QQAUXZPINKKKLY-UHFFFAOYSA-N -1 3 361.178 3.214 20 30 FGEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1ccc(Br)cc1 ZINC000822741048 607463937 /nfs/dbraw/zinc/46/39/37/607463937.db2.gz QQAUXZPINKKKLY-UHFFFAOYSA-N -1 3 361.178 3.214 20 30 FGEDHM N#Cc1cc(CN[C@H](C(=O)[O-])c2ccc(Br)cc2)ccc1F ZINC000833068868 602237708 /nfs/dbraw/zinc/23/77/08/602237708.db2.gz ORPYMORMFRDBHJ-HNNXBMFYSA-N -1 3 363.186 3.375 20 30 FGEDHM CN(CC(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1)C(=O)[O-] ZINC000739617944 602622096 /nfs/dbraw/zinc/62/20/96/602622096.db2.gz SRJPHSRGTKEYGW-MRVPVSSYSA-N -1 3 357.313 3.101 20 30 FGEDHM C#CCOc1ccccc1CNc1nc2ccccc2cc1-c1nnn[n-]1 ZINC000819709267 606085500 /nfs/dbraw/zinc/08/55/00/606085500.db2.gz ABBXZYAGFRKPCB-UHFFFAOYSA-N -1 3 356.389 3.039 20 30 FGEDHM C#CCOc1ccccc1CNc1nc2ccccc2cc1-c1nn[n-]n1 ZINC000819709267 606085505 /nfs/dbraw/zinc/08/55/05/606085505.db2.gz ABBXZYAGFRKPCB-UHFFFAOYSA-N -1 3 356.389 3.039 20 30 FGEDHM CC(C)[C@H](C#N)OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000820015732 606205268 /nfs/dbraw/zinc/20/52/68/606205268.db2.gz GAEAFOHQTMNFIH-KRWDZBQOSA-N -1 3 363.377 3.364 20 30 FGEDHM CC(C)[C@H](C#N)OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000820015732 606205271 /nfs/dbraw/zinc/20/52/71/606205271.db2.gz GAEAFOHQTMNFIH-KRWDZBQOSA-N -1 3 363.377 3.364 20 30 FGEDHM C=CCCCC(=O)Nc1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819734280 606250906 /nfs/dbraw/zinc/25/09/06/606250906.db2.gz KWNPSFKEVLLGOE-UHFFFAOYSA-N -1 3 354.439 3.209 20 30 FGEDHM C=CCCCC(=O)Nc1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819734280 606250908 /nfs/dbraw/zinc/25/09/08/606250908.db2.gz KWNPSFKEVLLGOE-UHFFFAOYSA-N -1 3 354.439 3.209 20 30 FGEDHM N#Cc1c[nH]c(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)c1 ZINC000822819596 606272615 /nfs/dbraw/zinc/27/26/15/606272615.db2.gz XKFPXFZKZTVLLW-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#Cc1c[nH]c(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)c1 ZINC000822819596 606272617 /nfs/dbraw/zinc/27/26/17/606272617.db2.gz XKFPXFZKZTVLLW-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822802062 606299666 /nfs/dbraw/zinc/29/96/66/606299666.db2.gz UPZCONVKJMDJKP-QAPCUYQASA-N -1 3 373.420 3.032 20 30 FGEDHM C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(-c4nnn[n-]4)cs3)sc2C1 ZINC000820727184 606478146 /nfs/dbraw/zinc/47/81/46/606478146.db2.gz IKVFLAHZYMWZHH-MRVPVSSYSA-N -1 3 370.463 3.238 20 30 FGEDHM C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(-c4nn[n-]n4)cs3)sc2C1 ZINC000820727184 606478148 /nfs/dbraw/zinc/47/81/48/606478148.db2.gz IKVFLAHZYMWZHH-MRVPVSSYSA-N -1 3 370.463 3.238 20 30 FGEDHM FC(F)Oc1cc(-c2nnn[n-]2)ccc1CON=Cc1cccs1 ZINC000822732558 606595523 /nfs/dbraw/zinc/59/55/23/606595523.db2.gz KCTWMBXRLSCRAL-UHFFFAOYSA-N -1 3 351.338 3.080 20 30 FGEDHM FC(F)Oc1cc(-c2nn[n-]n2)ccc1CON=Cc1cccs1 ZINC000822732558 606595525 /nfs/dbraw/zinc/59/55/25/606595525.db2.gz KCTWMBXRLSCRAL-UHFFFAOYSA-N -1 3 351.338 3.080 20 30 FGEDHM C=C(C)CN(CC)C(=O)CSc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819722479 606851161 /nfs/dbraw/zinc/85/11/61/606851161.db2.gz JRLMSYKVOVOSKC-UHFFFAOYSA-N -1 3 351.863 3.037 20 30 FGEDHM C=C(C)CN(CC)C(=O)CSc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819722479 606851163 /nfs/dbraw/zinc/85/11/63/606851163.db2.gz JRLMSYKVOVOSKC-UHFFFAOYSA-N -1 3 351.863 3.037 20 30 FGEDHM CC(CC1CCOCC1)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820236079 606860662 /nfs/dbraw/zinc/86/06/62/606860662.db2.gz XDIZUECXEBVELH-UHFFFAOYSA-N -1 3 368.363 3.490 20 30 FGEDHM CC(CC1CCOCC1)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820236079 606860664 /nfs/dbraw/zinc/86/06/64/606860664.db2.gz XDIZUECXEBVELH-UHFFFAOYSA-N -1 3 368.363 3.490 20 30 FGEDHM N#Cc1cc(Br)ccc1OCc1cccc(-c2nnn[n-]2)c1 ZINC000822818784 607043524 /nfs/dbraw/zinc/04/35/24/607043524.db2.gz FOCZTYZLENNRFV-UHFFFAOYSA-N -1 3 356.183 3.080 20 30 FGEDHM N#Cc1cc(Br)ccc1OCc1cccc(-c2nn[n-]n2)c1 ZINC000822818784 607043526 /nfs/dbraw/zinc/04/35/26/607043526.db2.gz FOCZTYZLENNRFV-UHFFFAOYSA-N -1 3 356.183 3.080 20 30 FGEDHM O=C1c2cc3c(cc2OCCC1=Cc1ccc(-c2nnn[n-]2)cc1)CCC3 ZINC000823504972 607171578 /nfs/dbraw/zinc/17/15/78/607171578.db2.gz WMXPQGGNIHFLIW-YVLHZVERSA-N -1 3 358.401 3.404 20 30 FGEDHM O=C1c2cc3c(cc2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1)CCC3 ZINC000823504972 607171579 /nfs/dbraw/zinc/17/15/79/607171579.db2.gz WMXPQGGNIHFLIW-YVLHZVERSA-N -1 3 358.401 3.404 20 30 FGEDHM O=C(C=Cc1cc(O)ccc1Br)c1cccc(-c2nnn[n-]2)c1 ZINC000822923341 607252220 /nfs/dbraw/zinc/25/22/20/607252220.db2.gz QDAMVDYBYUMACW-QPJJXVBHSA-N -1 3 371.194 3.231 20 30 FGEDHM O=C(C=Cc1cc(O)ccc1Br)c1cccc(-c2nn[n-]n2)c1 ZINC000822923341 607252221 /nfs/dbraw/zinc/25/22/21/607252221.db2.gz QDAMVDYBYUMACW-QPJJXVBHSA-N -1 3 371.194 3.231 20 30 FGEDHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)c(Cl)c1 ZINC000825380493 607877775 /nfs/dbraw/zinc/87/77/75/607877775.db2.gz PEKNWOIYFBDLNX-UHFFFAOYSA-N -1 3 352.785 3.058 20 30 FGEDHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)c(Cl)c1 ZINC000825380493 607877776 /nfs/dbraw/zinc/87/77/76/607877776.db2.gz PEKNWOIYFBDLNX-UHFFFAOYSA-N -1 3 352.785 3.058 20 30 FGEDHM Cc1cc(Br)ccc1NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826256282 607888540 /nfs/dbraw/zinc/88/85/40/607888540.db2.gz BHOODOXBRFUKSN-UHFFFAOYSA-N -1 3 357.215 3.384 20 30 FGEDHM Cc1cc(Br)ccc1NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826256282 607888541 /nfs/dbraw/zinc/88/85/41/607888541.db2.gz BHOODOXBRFUKSN-UHFFFAOYSA-N -1 3 357.215 3.384 20 30 FGEDHM COc1ccc2c(c1)CCC(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826211934 607915801 /nfs/dbraw/zinc/91/58/01/607915801.db2.gz APNCHQKLXBHSFL-JYRVWZFOSA-N -1 3 350.353 3.227 20 30 FGEDHM COc1ccc2c(c1)CCC(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826211934 607915802 /nfs/dbraw/zinc/91/58/02/607915802.db2.gz APNCHQKLXBHSFL-JYRVWZFOSA-N -1 3 350.353 3.227 20 30 FGEDHM N#Cc1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)ccc1-c1nnn[n-]1 ZINC000826384280 607926690 /nfs/dbraw/zinc/92/66/90/607926690.db2.gz OPMHAHVDNNIZDT-BFHYXJOUSA-N -1 3 350.426 3.283 20 30 FGEDHM N#Cc1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)ccc1-c1nn[n-]n1 ZINC000826384280 607926691 /nfs/dbraw/zinc/92/66/91/607926691.db2.gz OPMHAHVDNNIZDT-BFHYXJOUSA-N -1 3 350.426 3.283 20 30 FGEDHM C=C[C@H](CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000823883673 607981000 /nfs/dbraw/zinc/98/10/00/607981000.db2.gz XFXXTGCLZUUXFB-CYBMUJFWSA-N -1 3 352.369 3.409 20 30 FGEDHM C=C[C@H](CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000823883673 607981001 /nfs/dbraw/zinc/98/10/01/607981001.db2.gz XFXXTGCLZUUXFB-CYBMUJFWSA-N -1 3 352.369 3.409 20 30 FGEDHM O=C1c2ccc(Br)cc2CC1=Cc1cccc(-c2nnn[n-]2)c1 ZINC000826475341 608015782 /nfs/dbraw/zinc/01/57/82/608015782.db2.gz CIEGRAAZNCCIBY-NTUHNPAUSA-N -1 3 367.206 3.452 20 30 FGEDHM O=C1c2ccc(Br)cc2CC1=Cc1cccc(-c2nn[n-]n2)c1 ZINC000826475341 608015783 /nfs/dbraw/zinc/01/57/83/608015783.db2.gz CIEGRAAZNCCIBY-NTUHNPAUSA-N -1 3 367.206 3.452 20 30 FGEDHM CC(CSc1ccccc1[N+](=O)[O-])N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000824450281 608228437 /nfs/dbraw/zinc/22/84/37/608228437.db2.gz UHVLSCBHUNBTCC-UHFFFAOYSA-N -1 3 369.410 3.355 20 30 FGEDHM CC(CSc1ccccc1[N+](=O)[O-])N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000824450281 608228439 /nfs/dbraw/zinc/22/84/39/608228439.db2.gz UHVLSCBHUNBTCC-UHFFFAOYSA-N -1 3 369.410 3.355 20 30 FGEDHM CC(C)(C)c1cc(NC(=O)c2cc(-c3nnn[n-]3)cs2)c(C#N)s1 ZINC000824129975 608345925 /nfs/dbraw/zinc/34/59/25/608345925.db2.gz FYZNLHOMDKDPRT-UHFFFAOYSA-N -1 3 358.452 3.411 20 30 FGEDHM CC(C)(C)c1cc(NC(=O)c2cc(-c3nn[n-]n3)cs2)c(C#N)s1 ZINC000824129975 608345927 /nfs/dbraw/zinc/34/59/27/608345927.db2.gz FYZNLHOMDKDPRT-UHFFFAOYSA-N -1 3 358.452 3.411 20 30 FGEDHM N#Cc1ccc(Nc2ccc(Oc3ccccc3-c3nnn[n-]3)c(F)c2)nn1 ZINC000826386098 608426753 /nfs/dbraw/zinc/42/67/53/608426753.db2.gz OTFPAACPAUWBDN-UHFFFAOYSA-N -1 3 374.339 3.203 20 30 FGEDHM N#Cc1ccc(Nc2ccc(Oc3ccccc3-c3nn[n-]n3)c(F)c2)nn1 ZINC000826386098 608426754 /nfs/dbraw/zinc/42/67/54/608426754.db2.gz OTFPAACPAUWBDN-UHFFFAOYSA-N -1 3 374.339 3.203 20 30 FGEDHM Fc1ccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc1Cl ZINC000826374314 608536633 /nfs/dbraw/zinc/53/66/33/608536633.db2.gz UPYVWOPOJBCCQU-UHFFFAOYSA-N -1 3 352.160 3.154 20 30 FGEDHM Fc1ccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)cc1Cl ZINC000826374314 608536634 /nfs/dbraw/zinc/53/66/34/608536634.db2.gz UPYVWOPOJBCCQU-UHFFFAOYSA-N -1 3 352.160 3.154 20 30 FGEDHM C[C@H](OC(=O)c1ccc(Cl)c(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824721483 608576146 /nfs/dbraw/zinc/57/61/46/608576146.db2.gz AUHFOVGLVSBMBW-JTQLQIEISA-N -1 3 353.769 3.310 20 30 FGEDHM C[C@H](OC(=O)c1ccc(Cl)c(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824721483 608576147 /nfs/dbraw/zinc/57/61/47/608576147.db2.gz AUHFOVGLVSBMBW-JTQLQIEISA-N -1 3 353.769 3.310 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1cc(F)c(F)c(F)c1 ZINC000823915448 608633681 /nfs/dbraw/zinc/63/36/81/608633681.db2.gz YHYIVHVQGHEGGO-UHFFFAOYSA-N -1 3 359.355 3.472 20 30 FGEDHM C[C@@H]1c2c(c(O)ccc2F)C(=O)C1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824859491 608876023 /nfs/dbraw/zinc/87/60/23/608876023.db2.gz PLCOJDTWGAZMIZ-KZSPTFSBSA-N -1 3 354.316 3.234 20 30 FGEDHM Cc1cn2c(/C=C/C(=O)c3ccc(-c4nn[n-]n4)cc3F)c(C)nc2s1 ZINC000826317146 609270553 /nfs/dbraw/zinc/27/05/53/609270553.db2.gz PEMUMWYGRVKLMB-AATRIKPKSA-N -1 3 368.397 3.228 20 30 FGEDHM O=C(C=Cc1cccc(Br)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400675 609270977 /nfs/dbraw/zinc/27/09/77/609270977.db2.gz DZRMAUJEVOTWOX-FNORWQNLSA-N -1 3 374.173 3.059 20 30 FGEDHM O=C(C=Cc1cccc(Br)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400675 609270979 /nfs/dbraw/zinc/27/09/79/609270979.db2.gz DZRMAUJEVOTWOX-FNORWQNLSA-N -1 3 374.173 3.059 20 30 FGEDHM Cn1cc(C=CC(=O)c2cccs2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360099 609308700 /nfs/dbraw/zinc/30/87/00/609308700.db2.gz XNJUXHNVDHWEDM-HJWRWDBZSA-N -1 3 362.418 3.225 20 30 FGEDHM Cn1cc(C=CC(=O)c2cccs2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360099 609308702 /nfs/dbraw/zinc/30/87/02/609308702.db2.gz XNJUXHNVDHWEDM-HJWRWDBZSA-N -1 3 362.418 3.225 20 30 FGEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc([N+](=O)[O-])cc1F ZINC000826475758 609310023 /nfs/dbraw/zinc/31/00/23/609310023.db2.gz PGUNXJPVXLATGL-XYOKQWHBSA-N -1 3 365.324 3.127 20 30 FGEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc([N+](=O)[O-])cc1F ZINC000826475758 609310026 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CCCCOc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736463415 599199813 /nfs/dbraw/zinc/19/98/13/599199813.db2.gz MZIXQFSPUZAJMI-UHFFFAOYSA-N -1 3 362.393 3.170 20 30 FGEDHM CCCCOc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736463415 599199815 /nfs/dbraw/zinc/19/98/15/599199815.db2.gz MZIXQFSPUZAJMI-UHFFFAOYSA-N -1 3 362.393 3.170 20 30 FGEDHM C=CC[C@H](C)NC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735409700 599203649 /nfs/dbraw/zinc/20/36/49/599203649.db2.gz IWPQLOCCBNBFSI-AWEZNQCLSA-N -1 3 363.421 3.140 20 30 FGEDHM C=CC[C@H](C)NC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735409700 599203652 /nfs/dbraw/zinc/20/36/52/599203652.db2.gz IWPQLOCCBNBFSI-AWEZNQCLSA-N -1 3 363.421 3.140 20 30 FGEDHM Cc1cc(F)cc2c1ncc(C#N)c2N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000737262344 599273594 /nfs/dbraw/zinc/27/35/94/599273594.db2.gz FGSFWVBWJWELNQ-LBPRGKRZSA-N -1 3 373.395 3.329 20 30 FGEDHM Cc1cc(F)cc2c1ncc(C#N)c2N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000737262344 599273596 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Cc1ccc(N(CCC#N)C(=O)CCc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737347043 598384377 /nfs/dbraw/zinc/38/43/77/598384377.db2.gz LEPGSDIVICMGRS-UHFFFAOYSA-N -1 3 360.421 3.055 20 30 FGEDHM C#CCOc1ccc([C@@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000735380707 598416861 /nfs/dbraw/zinc/41/68/61/598416861.db2.gz LJLOTTSUVURJRX-VSKPTYQZSA-N -1 3 374.400 3.196 20 30 FGEDHM C#CCOc1ccc([C@@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000735380707 598416863 /nfs/dbraw/zinc/41/68/63/598416863.db2.gz LJLOTTSUVURJRX-VSKPTYQZSA-N -1 3 374.400 3.196 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1sccc1SC ZINC000735420285 598420523 /nfs/dbraw/zinc/42/05/23/598420523.db2.gz OFGIXZFNAPZXQR-UHFFFAOYSA-N -1 3 371.491 3.479 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1sccc1SC ZINC000735420285 598420525 /nfs/dbraw/zinc/42/05/25/598420525.db2.gz OFGIXZFNAPZXQR-UHFFFAOYSA-N -1 3 371.491 3.479 20 30 FGEDHM CSC=CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821956366 607358520 /nfs/dbraw/zinc/35/85/20/607358520.db2.gz NACNKYWNEDXCGI-ZHRWSRJISA-N -1 3 368.447 3.043 20 30 FGEDHM CSC=CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821956366 607358522 /nfs/dbraw/zinc/35/85/22/607358522.db2.gz NACNKYWNEDXCGI-ZHRWSRJISA-N -1 3 368.447 3.043 20 30 FGEDHM CSC=CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821956363 607358551 /nfs/dbraw/zinc/35/85/51/607358551.db2.gz NACNKYWNEDXCGI-DGMVEKRQSA-N -1 3 368.447 3.043 20 30 FGEDHM CSC=CC(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821956363 607358552 /nfs/dbraw/zinc/35/85/52/607358552.db2.gz NACNKYWNEDXCGI-DGMVEKRQSA-N -1 3 368.447 3.043 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(F)c(C)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737261086 598640788 /nfs/dbraw/zinc/64/07/88/598640788.db2.gz ASGNFCZFMBJFDI-VURMDHGXSA-N -1 3 351.385 3.266 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(F)c(C)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737261086 598640790 /nfs/dbraw/zinc/64/07/90/598640790.db2.gz ASGNFCZFMBJFDI-VURMDHGXSA-N -1 3 351.385 3.266 20 30 FGEDHM C(=NNc1cccc(-c2nnn[n-]2)c1)c1csc(-c2cccs2)n1 ZINC000735401152 598640877 /nfs/dbraw/zinc/64/08/77/598640877.db2.gz XZWKFEISXCDDBG-UHFFFAOYSA-N -1 3 353.436 3.498 20 30 FGEDHM C(=NNc1cccc(-c2nn[n-]n2)c1)c1csc(-c2cccs2)n1 ZINC000735401152 598640879 /nfs/dbraw/zinc/64/08/79/598640879.db2.gz XZWKFEISXCDDBG-UHFFFAOYSA-N -1 3 353.436 3.498 20 30 FGEDHM C#Cc1ccc(C(=O)Oc2ccc(-c3ccc(-c4nnn[n-]4)cc3)cc2)nc1 ZINC000735389372 598734669 /nfs/dbraw/zinc/73/46/69/598734669.db2.gz AXCJHUJJEKSVDX-UHFFFAOYSA-N -1 3 367.368 3.129 20 30 FGEDHM C#Cc1ccc(C(=O)Oc2ccc(-c3ccc(-c4nn[n-]n4)cc3)cc2)nc1 ZINC000735389372 598734671 /nfs/dbraw/zinc/73/46/71/598734671.db2.gz AXCJHUJJEKSVDX-UHFFFAOYSA-N -1 3 367.368 3.129 20 30 FGEDHM CCCCCCCCCC(=O)Nc1nc2n(c1-c1nnn[n-]1)CCS2 ZINC000736447810 599294191 /nfs/dbraw/zinc/29/41/91/599294191.db2.gz IECPAUNZBODKPB-UHFFFAOYSA-N -1 3 363.491 3.248 20 30 FGEDHM CCCCCCCCCC(=O)Nc1nc2n(c1-c1nn[n-]n1)CCS2 ZINC000736447810 599294193 /nfs/dbraw/zinc/29/41/93/599294193.db2.gz IECPAUNZBODKPB-UHFFFAOYSA-N -1 3 363.491 3.248 20 30 FGEDHM C=CCN(CC=C)C(=O)[C@@H](C)S[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735419262 599326755 /nfs/dbraw/zinc/32/67/55/599326755.db2.gz QZLNEQLIBDQSMI-ZIAGYGMSSA-N -1 3 357.483 3.250 20 30 FGEDHM C=CCN(CC=C)C(=O)[C@@H](C)S[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735419262 599326757 /nfs/dbraw/zinc/32/67/57/599326757.db2.gz QZLNEQLIBDQSMI-ZIAGYGMSSA-N -1 3 357.483 3.250 20 30 FGEDHM FC(F)(F)c1cccnc1N=NC1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000822727880 599338336 /nfs/dbraw/zinc/33/83/36/599338336.db2.gz AHGAUMCZWFLSJM-UHFFFAOYSA-N -1 3 373.342 3.433 20 30 FGEDHM FC(F)(F)c1cccnc1N=NC1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000822727880 599338337 /nfs/dbraw/zinc/33/83/37/599338337.db2.gz AHGAUMCZWFLSJM-UHFFFAOYSA-N -1 3 373.342 3.433 20 30 FGEDHM N#CC1(C(=O)Nc2cccc(OCc3cccc(-c4nnn[n-]4)c3)c2)CCC1 ZINC000737678205 599373236 /nfs/dbraw/zinc/37/32/36/599373236.db2.gz HHDSDNWLJWMIRD-UHFFFAOYSA-N -1 3 374.404 3.078 20 30 FGEDHM N#CC1(C(=O)Nc2cccc(OCc3cccc(-c4nn[n-]n4)c3)c2)CCC1 ZINC000737678205 599373239 /nfs/dbraw/zinc/37/32/39/599373239.db2.gz HHDSDNWLJWMIRD-UHFFFAOYSA-N -1 3 374.404 3.078 20 30 FGEDHM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820253956 599631181 /nfs/dbraw/zinc/63/11/81/599631181.db2.gz LAKNVPNVQUTQIU-LBPRGKRZSA-N -1 3 364.384 3.085 20 30 FGEDHM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820253956 599631182 /nfs/dbraw/zinc/63/11/82/599631182.db2.gz LAKNVPNVQUTQIU-LBPRGKRZSA-N -1 3 364.384 3.085 20 30 FGEDHM N#CCc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822814939 599632221 /nfs/dbraw/zinc/63/22/21/599632221.db2.gz LTMDKFIKPWLRAU-UHFFFAOYSA-N -1 3 372.310 3.204 20 30 FGEDHM N#CCc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822814939 599632222 /nfs/dbraw/zinc/63/22/22/599632222.db2.gz LTMDKFIKPWLRAU-UHFFFAOYSA-N -1 3 372.310 3.204 20 30 FGEDHM N#Cc1cnc2ccccc2c1N1CCN([C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000738435733 600402660 /nfs/dbraw/zinc/40/26/60/600402660.db2.gz SDOLXYAWXJQRAO-OAQYLSRUSA-N -1 3 372.428 3.054 20 30 FGEDHM Cc1nccn1-c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822477576 607460298 /nfs/dbraw/zinc/46/02/98/607460298.db2.gz MRTUELCCOGHWFS-TWGQIWQCSA-N -1 3 374.379 3.396 20 30 FGEDHM N#Cc1ccccc1N1CCCN([C@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000833074724 600989253 /nfs/dbraw/zinc/98/92/53/600989253.db2.gz ANWIAHYKRMTFNA-IBGZPJMESA-N -1 3 353.397 3.035 20 30 FGEDHM Cc1cc(C)n(-c2ccccc2CN[C@H](C(=O)[O-])c2cccc(C#N)c2)n1 ZINC000832880940 602131551 /nfs/dbraw/zinc/13/15/51/602131551.db2.gz VFOIOPGAXDRUNE-FQEVSTJZSA-N -1 3 360.417 3.276 20 30 FGEDHM CN(CC#Cc1ccc(OC(F)(F)F)cc1)C1CCN(C(=O)[O-])CC1 ZINC000833870970 605663756 /nfs/dbraw/zinc/66/37/56/605663756.db2.gz XTARWGQSZJKVHJ-UHFFFAOYSA-N -1 3 356.344 3.011 20 30 FGEDHM C=CCN(Cc1csc([C@@H](C)OC)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745710 606158970 /nfs/dbraw/zinc/15/89/70/606158970.db2.gz QGGGKTDJFBRFDT-CYBMUJFWSA-N -1 3 370.482 3.219 20 30 FGEDHM C=CCN(Cc1csc([C@@H](C)OC)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819745710 606158972 /nfs/dbraw/zinc/15/89/72/606158972.db2.gz QGGGKTDJFBRFDT-CYBMUJFWSA-N -1 3 370.482 3.219 20 30 FGEDHM N#C[C@H](OC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000822801809 606169691 /nfs/dbraw/zinc/16/96/91/606169691.db2.gz OZVXEDQAXHSKAT-KRWDZBQOSA-N -1 3 360.377 3.069 20 30 FGEDHM N#Cc1ccccc1-c1ccc(COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000822837390 606232322 /nfs/dbraw/zinc/23/23/22/606232322.db2.gz MOAUSGBOBAXDGT-UHFFFAOYSA-N -1 3 370.372 3.090 20 30 FGEDHM N#Cc1ccccc1-c1ccc(COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000822837390 606232323 /nfs/dbraw/zinc/23/23/23/606232323.db2.gz MOAUSGBOBAXDGT-UHFFFAOYSA-N -1 3 370.372 3.090 20 30 FGEDHM Cc1cc(N[C@@H]2CCC[C@@H]2C#N)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822209662 606241716 /nfs/dbraw/zinc/24/17/16/606241716.db2.gz QYUGNLMKVMXZES-CHWSQXEVSA-N -1 3 358.409 3.080 20 30 FGEDHM Cc1cc(N[C@@H]2CCC[C@@H]2C#N)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822209662 606241717 /nfs/dbraw/zinc/24/17/17/606241717.db2.gz QYUGNLMKVMXZES-CHWSQXEVSA-N -1 3 358.409 3.080 20 30 FGEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822802058 606300146 /nfs/dbraw/zinc/30/01/46/606300146.db2.gz UPZCONVKJMDJKP-CRAIPNDOSA-N -1 3 373.420 3.032 20 30 FGEDHM Cc1nccn1-c1ccc(C(=O)C=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822479235 606339686 /nfs/dbraw/zinc/33/96/86/606339686.db2.gz YGWDECPBWDVVEF-VOTSOKGWSA-N -1 3 362.418 3.318 20 30 FGEDHM Cc1nccn1-c1ccc(C(=O)C=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822479235 606339688 /nfs/dbraw/zinc/33/96/88/606339688.db2.gz YGWDECPBWDVVEF-VOTSOKGWSA-N -1 3 362.418 3.318 20 30 FGEDHM FC(F)(F)c1cnc(N=NCc2ccc(-c3nnn[n-]3)s2)c(Cl)c1 ZINC000822729010 606368084 /nfs/dbraw/zinc/36/80/84/606368084.db2.gz QHLVIQIICRBHQM-UHFFFAOYSA-N -1 3 373.751 3.441 20 30 FGEDHM Cc1cccc2ncc(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)n21 ZINC000822340827 606392996 /nfs/dbraw/zinc/39/29/96/606392996.db2.gz JNZXIVHVAPMHGI-UVTDQMKNSA-N -1 3 356.389 3.035 20 30 FGEDHM Cc1cccc2ncc(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)n21 ZINC000822340827 606392998 /nfs/dbraw/zinc/39/29/98/606392998.db2.gz JNZXIVHVAPMHGI-UVTDQMKNSA-N -1 3 356.389 3.035 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H]1CCC[C@H]1CC ZINC000819743201 606837492 /nfs/dbraw/zinc/83/74/92/606837492.db2.gz FMGPMNUMZIPQQD-WBVHZDCISA-N -1 3 354.458 3.143 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H]1CCC[C@H]1CC ZINC000819743201 606837494 /nfs/dbraw/zinc/83/74/94/606837494.db2.gz FMGPMNUMZIPQQD-WBVHZDCISA-N -1 3 354.458 3.143 20 30 FGEDHM CC1(C)C[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000824796230 607776908 /nfs/dbraw/zinc/77/69/08/607776908.db2.gz NIDCWDBMKVMTSJ-OLZOCXBDSA-N -1 3 364.434 3.213 20 30 FGEDHM CC1(C)C[C@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000824796230 607776909 /nfs/dbraw/zinc/77/69/09/607776909.db2.gz NIDCWDBMKVMTSJ-OLZOCXBDSA-N -1 3 364.434 3.213 20 30 FGEDHM FC(F)(F)c1cc(NN=Cc2nc(Cl)cs2)ccc1-c1nnn[n-]1 ZINC000826368446 607965201 /nfs/dbraw/zinc/96/52/01/607965201.db2.gz PTCFECNGWWGZOF-UHFFFAOYSA-N -1 3 373.751 3.441 20 30 FGEDHM FC(F)(F)c1cc(NN=Cc2nc(Cl)cs2)ccc1-c1nn[n-]n1 ZINC000826368446 607965202 /nfs/dbraw/zinc/96/52/02/607965202.db2.gz PTCFECNGWWGZOF-UHFFFAOYSA-N -1 3 373.751 3.441 20 30 FGEDHM CC(=Cc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000823944153 608004621 /nfs/dbraw/zinc/00/46/21/608004621.db2.gz YYJYUKDNSZRNBK-YRNVUSSQSA-N -1 3 364.796 3.434 20 30 FGEDHM CC(=Cc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000823944153 608004622 /nfs/dbraw/zinc/00/46/22/608004622.db2.gz YYJYUKDNSZRNBK-YRNVUSSQSA-N -1 3 364.796 3.434 20 30 FGEDHM N#Cc1ccc(CNc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000826384924 608050981 /nfs/dbraw/zinc/05/09/81/608050981.db2.gz PFDLUWSNHVBAKT-UHFFFAOYSA-N -1 3 355.199 3.113 20 30 FGEDHM CCOc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1[N+](=O)[O-] ZINC000825631503 608230365 /nfs/dbraw/zinc/23/03/65/608230365.db2.gz BTWOVUFEOLPKJG-GQCTYLIASA-N -1 3 371.378 3.131 20 30 FGEDHM C=C(Cl)CNC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823883688 608355426 /nfs/dbraw/zinc/35/54/26/608355426.db2.gz XNEFJZSMOQKHCQ-UHFFFAOYSA-N -1 3 368.828 3.085 20 30 FGEDHM C=C(Cl)CNC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823883688 608355428 /nfs/dbraw/zinc/35/54/28/608355428.db2.gz XNEFJZSMOQKHCQ-UHFFFAOYSA-N -1 3 368.828 3.085 20 30 FGEDHM N#Cc1cc(Br)ccc1OCc1cccc(-c2nnn[n-]2)c1F ZINC000826383674 608399666 /nfs/dbraw/zinc/39/96/66/608399666.db2.gz LFGGDNPICCNTNY-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM N#Cc1cc(Br)ccc1OCc1cccc(-c2nn[n-]n2)c1F ZINC000826383674 608399667 /nfs/dbraw/zinc/39/96/67/608399667.db2.gz LFGGDNPICCNTNY-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM COc1ccc(CSCc2cccc(C#N)c2F)cc1-c1nnn[n-]1 ZINC000826208165 608406942 /nfs/dbraw/zinc/40/69/42/608406942.db2.gz WQRGDKHKLHVBJH-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM COc1ccc(CSCc2cccc(C#N)c2F)cc1-c1nn[n-]n1 ZINC000826208165 608406943 /nfs/dbraw/zinc/40/69/43/608406943.db2.gz WQRGDKHKLHVBJH-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM CCCCO[C@@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1(C)C ZINC000825290685 608535559 /nfs/dbraw/zinc/53/55/59/608535559.db2.gz FEJBTSWKGLJRPD-GFCCVEGCSA-N -1 3 363.853 3.298 20 30 FGEDHM CCCCO[C@@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1(C)C ZINC000825290685 608535560 /nfs/dbraw/zinc/53/55/60/608535560.db2.gz FEJBTSWKGLJRPD-GFCCVEGCSA-N -1 3 363.853 3.298 20 30 FGEDHM CC(=NNC(=S)Nc1ccccc1C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953440 609157464 /nfs/dbraw/zinc/15/74/64/609157464.db2.gz ACMQFJXRVDIUOA-UHFFFAOYSA-N -1 3 369.429 3.025 20 30 FGEDHM CC(=NNC(=S)Nc1ccccc1C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953440 609157466 /nfs/dbraw/zinc/15/74/66/609157466.db2.gz ACMQFJXRVDIUOA-UHFFFAOYSA-N -1 3 369.429 3.025 20 30 FGEDHM O=C(C=Cc1cccc(-n2cccn2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401486 609271341 /nfs/dbraw/zinc/27/13/41/609271341.db2.gz ZYISUXZFZAHNAW-VMPITWQZSA-N -1 3 360.352 3.088 20 30 FGEDHM O=C(C=Cc1cccc(-n2cccn2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401486 609271342 /nfs/dbraw/zinc/27/13/42/609271342.db2.gz ZYISUXZFZAHNAW-VMPITWQZSA-N -1 3 360.352 3.088 20 30 FGEDHM Cn1cc(C=CC(=O)c2ccsc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359710 609309813 /nfs/dbraw/zinc/30/98/13/609309813.db2.gz OQGAKWMMBRMHAG-VOTSOKGWSA-N -1 3 362.418 3.225 20 30 FGEDHM Cn1cc(C=CC(=O)c2ccsc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359710 609309815 /nfs/dbraw/zinc/30/98/15/609309815.db2.gz OQGAKWMMBRMHAG-VOTSOKGWSA-N -1 3 362.418 3.225 20 30 FGEDHM N#CC1(COC(=O)c2ccccc2Oc2ccccc2-c2nnn[n-]2)CC1 ZINC000826380080 609352065 /nfs/dbraw/zinc/35/20/65/609352065.db2.gz MEKPUQXLFHCKGB-UHFFFAOYSA-N -1 3 361.361 3.120 20 30 FGEDHM N#CC1(COC(=O)c2ccccc2Oc2ccccc2-c2nn[n-]n2)CC1 ZINC000826380080 609352067 /nfs/dbraw/zinc/35/20/67/609352067.db2.gz MEKPUQXLFHCKGB-UHFFFAOYSA-N -1 3 361.361 3.120 20 30 FGEDHM C#CCN(Cc1ccc(-c2nnn[n-]2)cc1Br)C1CCCC1 ZINC000823844689 609363364 /nfs/dbraw/zinc/36/33/64/609363364.db2.gz GQSWZNZBUINJRQ-UHFFFAOYSA-N -1 3 360.259 3.007 20 30 FGEDHM C#CCN(Cc1ccc(-c2nn[n-]n2)cc1Br)C1CCCC1 ZINC000823844689 609363366 /nfs/dbraw/zinc/36/33/66/609363366.db2.gz GQSWZNZBUINJRQ-UHFFFAOYSA-N -1 3 360.259 3.007 20 30 FGEDHM O=C1c2ccc(F)cc2OCCC1=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826475388 609372303 /nfs/dbraw/zinc/37/23/03/609372303.db2.gz DRDHPWRFICSYBQ-XFFZJAGNSA-N -1 3 354.316 3.194 20 30 FGEDHM O=C1c2ccc(F)cc2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000826475388 609372304 /nfs/dbraw/zinc/37/23/04/609372304.db2.gz DRDHPWRFICSYBQ-XFFZJAGNSA-N -1 3 354.316 3.194 20 30 FGEDHM Fc1ccc2c(c1)OCCCC2N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826375863 609374469 /nfs/dbraw/zinc/37/44/69/609374469.db2.gz FBVVEOGCVIXNDG-UHFFFAOYSA-N -1 3 373.779 3.043 20 30 FGEDHM Fc1ccc2c(c1)OCCCC2N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826375863 609374471 /nfs/dbraw/zinc/37/44/71/609374471.db2.gz FBVVEOGCVIXNDG-UHFFFAOYSA-N -1 3 373.779 3.043 20 30 FGEDHM Cc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)cc2cccnc12 ZINC000826266612 609469232 /nfs/dbraw/zinc/46/92/32/609469232.db2.gz 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N#CCOc1cc(F)ccc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000255659974 713703707 /nfs/dbraw/zinc/70/37/07/713703707.db2.gz OAODSPIUSIIUQT-YFHOEESVSA-N -1 3 350.346 3.280 20 30 FGEDHM N#C[C@H](NC(=O)c1cc2c(cc1[O-])OCO2)c1cccc(Cl)c1Cl ZINC000436557128 714026596 /nfs/dbraw/zinc/02/65/96/714026596.db2.gz VLANLSZSHJEYGW-NSHDSACASA-N -1 3 365.172 3.422 20 30 FGEDHM N#Cc1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1Cl ZINC000619753081 714866705 /nfs/dbraw/zinc/86/67/05/714866705.db2.gz KYVHKNHRWDCDBX-UHFFFAOYSA-N -1 3 359.209 3.483 20 30 FGEDHM C#C[C@H]([N-]S(=O)(=O)c1cccc(Br)c1Cl)C(C)C ZINC000790333120 723127973 /nfs/dbraw/zinc/12/79/73/723127973.db2.gz RLBNWSXCFCJPIH-JTQLQIEISA-N -1 3 350.665 3.039 20 30 FGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cccc(OC(F)(F)F)c1 ZINC000730946630 722472011 /nfs/dbraw/zinc/47/20/11/722472011.db2.gz FWXSSGCGWNNJRG-UHFFFAOYSA-N -1 3 372.368 3.429 20 30 FGEDHM Cc1ncc(CO)c(/C=N/CCCc2cccc(Br)c2)c1[O-] ZINC000731156069 722473659 /nfs/dbraw/zinc/47/36/59/722473659.db2.gz 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CC[C@](O)(CCC(F)(F)F)C[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000887507011 739384492 /nfs/dbraw/zinc/38/44/92/739384492.db2.gz NJLQNLRPUXGMGL-AWEZNQCLSA-N -1 3 364.314 3.250 20 30 FGEDHM CCCSC[C@@H](NCc1cc(C#N)ccc1Br)C(=O)[O-] ZINC000900029726 743045947 /nfs/dbraw/zinc/04/59/47/743045947.db2.gz YDXZLCIXBHEDHA-CYBMUJFWSA-N -1 3 357.273 3.007 20 30 FGEDHM O=C(CCCNC(=O)c1ccc(Cl)cc1)N([O-])Cc1ccc(F)cc1 ZINC000901379371 743263547 /nfs/dbraw/zinc/26/35/47/743263547.db2.gz WHRNTXPILGNLEW-UHFFFAOYSA-N -1 3 364.804 3.407 20 30 FGEDHM Cc1nnc(COCC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)s1 ZINC000904180142 743936272 /nfs/dbraw/zinc/93/62/72/743936272.db2.gz HUMQDZZOIRMPON-UHFFFAOYSA-N -1 3 362.238 3.088 20 30 FGEDHM O=C(C[C@H]1CCC2(CCOCC2)CO1)N([O-])Cc1ccccc1Cl ZINC000904192563 743937575 /nfs/dbraw/zinc/93/75/75/743937575.db2.gz QIMDLAOHVRLAOK-OAHLLOKOSA-N -1 3 353.846 3.424 20 30 FGEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cc(Cl)ccc1OC(F)F ZINC000920384259 758545934 /nfs/dbraw/zinc/54/59/34/758545934.db2.gz 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ZINC000736684422 598639008 /nfs/dbraw/zinc/63/90/08/598639008.db2.gz YSFCYCBFVKYNLJ-HJWRWDBZSA-N -1 3 353.451 3.443 20 30 FGEDHM CCc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)s1 ZINC000736684422 598639009 /nfs/dbraw/zinc/63/90/09/598639009.db2.gz YSFCYCBFVKYNLJ-HJWRWDBZSA-N -1 3 353.451 3.443 20 30 FGEDHM Cc1c(C(=O)C=Cc2c(F)cccc2F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201700 598639183 /nfs/dbraw/zinc/63/91/83/598639183.db2.gz HLIQZIXLEKJIQR-BQYQJAHWSA-N -1 3 355.348 3.097 20 30 FGEDHM Cc1c(C(=O)C=Cc2c(F)cccc2F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201700 598639184 /nfs/dbraw/zinc/63/91/84/598639184.db2.gz HLIQZIXLEKJIQR-BQYQJAHWSA-N -1 3 355.348 3.097 20 30 FGEDHM CC[C@](C)(C#N)NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736315466 598668699 /nfs/dbraw/zinc/66/86/99/598668699.db2.gz ZBNQRFYMMPEZJF-LJQANCHMSA-N -1 3 362.393 3.081 20 30 FGEDHM CC[C@](C)(C#N)NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736315466 598668701 /nfs/dbraw/zinc/66/87/01/598668701.db2.gz ZBNQRFYMMPEZJF-LJQANCHMSA-N -1 3 362.393 3.081 20 30 FGEDHM COc1cccc(C=Nc2ccc(OC(C)C)c(-c3nnn[n-]3)c2)c1O ZINC000821863457 607368073 /nfs/dbraw/zinc/36/80/73/607368073.db2.gz KTZNPHVMVSNICV-UHFFFAOYSA-N -1 3 353.382 3.119 20 30 FGEDHM COc1cccc(C=Nc2ccc(OC(C)C)c(-c3nn[n-]n3)c2)c1O ZINC000821863457 607368075 /nfs/dbraw/zinc/36/80/75/607368075.db2.gz KTZNPHVMVSNICV-UHFFFAOYSA-N -1 3 353.382 3.119 20 30 FGEDHM C=CCN(CC=C)C(=O)[C@@H](C)S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735419259 599326636 /nfs/dbraw/zinc/32/66/36/599326636.db2.gz QZLNEQLIBDQSMI-UONOGXRCSA-N -1 3 357.483 3.250 20 30 FGEDHM C=CCN(CC=C)C(=O)[C@@H](C)S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735419259 599326637 /nfs/dbraw/zinc/32/66/37/599326637.db2.gz QZLNEQLIBDQSMI-UONOGXRCSA-N -1 3 357.483 3.250 20 30 FGEDHM CC(C)Oc1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000820174791 607373077 /nfs/dbraw/zinc/37/30/77/607373077.db2.gz XWDZDWXYNBJESA-UHFFFAOYSA-N -1 3 364.409 3.016 20 30 FGEDHM N#CCOc1ccc(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)cc1 ZINC000737697949 599525739 /nfs/dbraw/zinc/52/57/39/599525739.db2.gz OOHITTOGZOXTDP-UHFFFAOYSA-N -1 3 374.326 3.400 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@H](C)CCSCC ZINC000819744062 599679692 /nfs/dbraw/zinc/67/96/92/599679692.db2.gz UWRRLYNSHGHATR-CQSZACIVSA-N -1 3 374.514 3.096 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@H](C)CCSCC ZINC000819744062 599679693 /nfs/dbraw/zinc/67/96/93/599679693.db2.gz UWRRLYNSHGHATR-CQSZACIVSA-N -1 3 374.514 3.096 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1ccccc1SCC#N ZINC000826254686 607407332 /nfs/dbraw/zinc/40/73/32/607407332.db2.gz WQLSPBBCGPLIOP-UHFFFAOYSA-N -1 3 365.418 3.148 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccccc1SCC#N ZINC000826254686 607407333 /nfs/dbraw/zinc/40/73/33/607407333.db2.gz WQLSPBBCGPLIOP-UHFFFAOYSA-N -1 3 365.418 3.148 20 30 FGEDHM CC(C)c1nc([C@@H]2CCCN([C@@H](C(=O)[O-])c3ccc(C#N)cc3)C2)no1 ZINC000736524971 600566173 /nfs/dbraw/zinc/56/61/73/600566173.db2.gz LEJQNJJWDCKLKN-HZPDHXFCSA-N -1 3 354.410 3.070 20 30 FGEDHM COc1cc(C)c([C@@H](C)N[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737866507 600593530 /nfs/dbraw/zinc/59/35/30/600593530.db2.gz CJVCJEKCFIOFKN-BFUOFWGJSA-N -1 3 354.406 3.360 20 30 FGEDHM CCN(CC(=O)C(C#N)c1nc2cc(C(F)(F)F)ccc2s1)C(=O)[O-] ZINC000739384091 602865888 /nfs/dbraw/zinc/86/58/88/602865888.db2.gz CODXSJRQFJVSIS-VIFPVBQESA-N -1 3 371.340 3.491 20 30 FGEDHM CC(C)(CC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl)NC(=O)[O-] ZINC000738731018 603160191 /nfs/dbraw/zinc/16/01/91/603160191.db2.gz RQSNYQHVDHVSBT-VIFPVBQESA-N -1 3 372.208 3.077 20 30 FGEDHM C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000833402823 604931951 /nfs/dbraw/zinc/93/19/51/604931951.db2.gz XIGVBZLMZWXVHW-DLBZAZTESA-N -1 3 371.481 3.145 20 30 FGEDHM CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000820875520 606127189 /nfs/dbraw/zinc/12/71/89/606127189.db2.gz BTOPRQLWXWUBNQ-LBPRGKRZSA-N -1 3 362.393 3.168 20 30 FGEDHM CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000820875520 606127191 /nfs/dbraw/zinc/12/71/91/606127191.db2.gz BTOPRQLWXWUBNQ-LBPRGKRZSA-N -1 3 362.393 3.168 20 30 FGEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822800923 606300803 /nfs/dbraw/zinc/30/08/03/606300803.db2.gz AWXCXKSVIJDDLY-MAUKXSAKSA-N -1 3 374.404 3.081 20 30 FGEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822800923 606300804 /nfs/dbraw/zinc/30/08/04/606300804.db2.gz AWXCXKSVIJDDLY-MAUKXSAKSA-N -1 3 374.404 3.081 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000822801879 606452284 /nfs/dbraw/zinc/45/22/84/606452284.db2.gz PYSPUIYSXIYHGT-IEBWSBKVSA-N -1 3 362.412 3.278 20 30 FGEDHM CC(C)CCN(CCC#N)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820076523 606502188 /nfs/dbraw/zinc/50/21/88/606502188.db2.gz KRVVVORKMDKUAS-UHFFFAOYSA-N -1 3 364.400 3.230 20 30 FGEDHM CC(C)CCN(CCC#N)Cc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000820076523 606502190 /nfs/dbraw/zinc/50/21/90/606502190.db2.gz KRVVVORKMDKUAS-UHFFFAOYSA-N -1 3 364.400 3.230 20 30 FGEDHM N#Cc1ccc(CSc2ccc(-c3nnn[n-]3)cn2)c(OC(F)F)c1 ZINC000822825363 606589857 /nfs/dbraw/zinc/58/98/57/606589857.db2.gz CBSLASNYDPFTCM-UHFFFAOYSA-N -1 3 360.349 3.027 20 30 FGEDHM N#Cc1ccc(CSc2ccc(-c3nn[n-]n3)cn2)c(OC(F)F)c1 ZINC000822825363 606589859 /nfs/dbraw/zinc/58/98/59/606589859.db2.gz CBSLASNYDPFTCM-UHFFFAOYSA-N -1 3 360.349 3.027 20 30 FGEDHM O=C(C=Cc1cnc(-c2ccccn2)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000822934724 606600579 /nfs/dbraw/zinc/60/05/79/606600579.db2.gz CZYBJOKLFOEIFZ-FPLPWBNLSA-N -1 3 360.402 3.281 20 30 FGEDHM O=C(C=Cc1cnc(-c2ccccn2)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000822934724 606600580 /nfs/dbraw/zinc/60/05/80/606600580.db2.gz CZYBJOKLFOEIFZ-FPLPWBNLSA-N -1 3 360.402 3.281 20 30 FGEDHM N#Cc1cccc(OCCCOc2cc(Cl)ccc2-c2nnn[n-]2)c1 ZINC000822837922 606839842 /nfs/dbraw/zinc/83/98/42/606839842.db2.gz YUCKEZUEZIKNPN-UHFFFAOYSA-N -1 3 355.785 3.240 20 30 FGEDHM N#Cc1cccc(OCCCOc2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC000822837922 606839844 /nfs/dbraw/zinc/83/98/44/606839844.db2.gz YUCKEZUEZIKNPN-UHFFFAOYSA-N -1 3 355.785 3.240 20 30 FGEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cc(F)c(F)cc1F ZINC000823503349 607123379 /nfs/dbraw/zinc/12/33/79/607123379.db2.gz DFXRQWGHRCGLHK-UXBLZVDNSA-N -1 3 356.307 3.497 20 30 FGEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cc(F)c(F)cc1F ZINC000823503349 607123380 /nfs/dbraw/zinc/12/33/80/607123380.db2.gz DFXRQWGHRCGLHK-UXBLZVDNSA-N -1 3 356.307 3.497 20 30 FGEDHM Cc1c(C(=O)C=Cc2cnc(Cl)c(C)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822198822 607149235 /nfs/dbraw/zinc/14/92/35/607149235.db2.gz LGMZRCZCZQBKSH-AATRIKPKSA-N -1 3 368.828 3.176 20 30 FGEDHM Cc1c(C(=O)C=Cc2cnc(Cl)c(C)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822198822 607149236 /nfs/dbraw/zinc/14/92/36/607149236.db2.gz LGMZRCZCZQBKSH-AATRIKPKSA-N -1 3 368.828 3.176 20 30 FGEDHM O=C1c2cc3c(cc2OCCC1=Cc1ccc(-c2nnn[n-]2)cc1)CCC3 ZINC000823504971 607171801 /nfs/dbraw/zinc/17/18/01/607171801.db2.gz WMXPQGGNIHFLIW-LICLKQGHSA-N -1 3 358.401 3.404 20 30 FGEDHM O=C1c2cc3c(cc2OCCC1=Cc1ccc(-c2nn[n-]n2)cc1)CCC3 ZINC000823504971 607171802 /nfs/dbraw/zinc/17/18/02/607171802.db2.gz WMXPQGGNIHFLIW-LICLKQGHSA-N -1 3 358.401 3.404 20 30 FGEDHM N#Cc1cc(-c2nnn[n-]2)c(S[C@H]2CCCc3ccc(F)cc32)nc1N ZINC000826383621 607808943 /nfs/dbraw/zinc/80/89/43/607808943.db2.gz JBKUPAVKJVSRNF-AWEZNQCLSA-N -1 3 367.413 3.024 20 30 FGEDHM N#Cc1cc(-c2nn[n-]n2)c(S[C@H]2CCCc3ccc(F)cc32)nc1N ZINC000826383621 607808944 /nfs/dbraw/zinc/80/89/44/607808944.db2.gz JBKUPAVKJVSRNF-AWEZNQCLSA-N -1 3 367.413 3.024 20 30 FGEDHM C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823877876 607843389 /nfs/dbraw/zinc/84/33/89/607843389.db2.gz JKMBVPQBBFPHEI-LLVKDONJSA-N -1 3 365.890 3.425 20 30 FGEDHM C=C(C)CN(CC)C(=O)[C@@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823877876 607843390 /nfs/dbraw/zinc/84/33/90/607843390.db2.gz JKMBVPQBBFPHEI-LLVKDONJSA-N -1 3 365.890 3.425 20 30 FGEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NOc1ccccc1C(F)(F)F ZINC000826371850 607844295 /nfs/dbraw/zinc/84/42/95/607844295.db2.gz WTSFHKOOUXEKCK-UHFFFAOYSA-N -1 3 351.263 3.438 20 30 FGEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NOc1ccccc1C(F)(F)F ZINC000826371850 607844296 /nfs/dbraw/zinc/84/42/96/607844296.db2.gz WTSFHKOOUXEKCK-UHFFFAOYSA-N -1 3 351.263 3.438 20 30 FGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1c(Cl)nc2ccccn21 ZINC000826402591 607884988 /nfs/dbraw/zinc/88/49/88/607884988.db2.gz XPOUITKYFNXPAD-HJWRWDBZSA-N -1 3 350.769 3.064 20 30 FGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1c(Cl)nc2ccccn21 ZINC000826402591 607884989 /nfs/dbraw/zinc/88/49/89/607884989.db2.gz XPOUITKYFNXPAD-HJWRWDBZSA-N -1 3 350.769 3.064 20 30 FGEDHM O=C1c2ccc(Br)cc2OC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826477119 607885806 /nfs/dbraw/zinc/88/58/06/607885806.db2.gz WEHUKPCTVSSWBV-AUWJEWJLSA-N -1 3 369.178 3.245 20 30 FGEDHM O=C1c2ccc(Br)cc2OC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826477119 607885807 /nfs/dbraw/zinc/88/58/07/607885807.db2.gz WEHUKPCTVSSWBV-AUWJEWJLSA-N -1 3 369.178 3.245 20 30 FGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ncc(Br)s1 ZINC000826399954 607930663 /nfs/dbraw/zinc/93/06/63/607930663.db2.gz LDENYVKPVLFJPJ-HNQUOIGGSA-N -1 3 368.241 3.043 20 30 FGEDHM O=C1c2ccc(Br)cc2CC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826475917 608015800 /nfs/dbraw/zinc/01/58/00/608015800.db2.gz WDVVWZRHRYGTEJ-NTUHNPAUSA-N -1 3 367.206 3.452 20 30 FGEDHM O=C1c2ccc(Br)cc2CC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475917 608015801 /nfs/dbraw/zinc/01/58/01/608015801.db2.gz WDVVWZRHRYGTEJ-NTUHNPAUSA-N -1 3 367.206 3.452 20 30 FGEDHM CCOc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825632052 608230375 /nfs/dbraw/zinc/23/03/75/608230375.db2.gz KJPSSWJEINIJRQ-CLFYSBASSA-N -1 3 365.349 3.070 20 30 FGEDHM CCOc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825632052 608230377 /nfs/dbraw/zinc/23/03/77/608230377.db2.gz KJPSSWJEINIJRQ-CLFYSBASSA-N -1 3 365.349 3.070 20 30 FGEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1cccc(C#N)c1F ZINC000824324329 608480478 /nfs/dbraw/zinc/48/04/78/608480478.db2.gz LHABSPOWYSWGOM-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cccc(C#N)c1F ZINC000824324329 608480480 /nfs/dbraw/zinc/48/04/80/608480480.db2.gz LHABSPOWYSWGOM-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM CCO[C@@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C12CCCC2 ZINC000825577166 608534036 /nfs/dbraw/zinc/53/40/36/608534036.db2.gz TZEFSTBSSZTGEQ-GFCCVEGCSA-N -1 3 361.837 3.052 20 30 FGEDHM CCO[C@@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C12CCCC2 ZINC000825577166 608534037 /nfs/dbraw/zinc/53/40/37/608534037.db2.gz TZEFSTBSSZTGEQ-GFCCVEGCSA-N -1 3 361.837 3.052 20 30 FGEDHM Cc1ccc2c(c1)C(N=Nc1cc(-c3nnn[n-]3)cc(Cl)n1)CCCO2 ZINC000826294505 608536167 /nfs/dbraw/zinc/53/61/67/608536167.db2.gz TWSUZYLUQRBWSC-UHFFFAOYSA-N -1 3 369.816 3.212 20 30 FGEDHM Cc1ccc2c(c1)C(N=Nc1cc(-c3nn[n-]n3)cc(Cl)n1)CCCO2 ZINC000826294505 608536168 /nfs/dbraw/zinc/53/61/68/608536168.db2.gz TWSUZYLUQRBWSC-UHFFFAOYSA-N -1 3 369.816 3.212 20 30 FGEDHM CC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1ccc2ccccc2n1 ZINC000823958586 608538753 /nfs/dbraw/zinc/53/87/53/608538753.db2.gz ROHFHVYHJXFVEA-UHFFFAOYSA-N -1 3 364.800 3.299 20 30 FGEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1ccc2ccccc2n1 ZINC000823958586 608538755 /nfs/dbraw/zinc/53/87/55/608538755.db2.gz ROHFHVYHJXFVEA-UHFFFAOYSA-N -1 3 364.800 3.299 20 30 FGEDHM CCO[C@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1(CC)CC ZINC000825576669 608540363 /nfs/dbraw/zinc/54/03/63/608540363.db2.gz NEOSFHFRXHDOCJ-LBPRGKRZSA-N -1 3 363.853 3.298 20 30 FGEDHM CCO[C@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1(CC)CC ZINC000825576669 608540365 /nfs/dbraw/zinc/54/03/65/608540365.db2.gz NEOSFHFRXHDOCJ-LBPRGKRZSA-N -1 3 363.853 3.298 20 30 FGEDHM C[C@@H](OC(=O)c1ccc(Cl)c(C#N)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824721489 608576347 /nfs/dbraw/zinc/57/63/47/608576347.db2.gz AUHFOVGLVSBMBW-SNVBAGLBSA-N -1 3 353.769 3.310 20 30 FGEDHM C[C@@H](OC(=O)c1ccc(Cl)c(C#N)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000824721489 608576349 /nfs/dbraw/zinc/57/63/49/608576349.db2.gz AUHFOVGLVSBMBW-SNVBAGLBSA-N -1 3 353.769 3.310 20 30 FGEDHM Cn1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(C(C)(C)C)n1 ZINC000826359498 608754662 /nfs/dbraw/zinc/75/46/62/608754662.db2.gz IQJUMNIJBFGRFT-RAXLEYEMSA-N -1 3 362.437 3.110 20 30 FGEDHM Cn1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(C(C)(C)C)n1 ZINC000826359498 608754665 /nfs/dbraw/zinc/75/46/65/608754665.db2.gz IQJUMNIJBFGRFT-RAXLEYEMSA-N -1 3 362.437 3.110 20 30 FGEDHM O=C(C=Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC000826400238 609270587 /nfs/dbraw/zinc/27/05/87/609270587.db2.gz SUMHKQODBSWROC-QHHAFSJGSA-N -1 3 373.731 3.464 20 30 FGEDHM O=C(C=Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1F ZINC000826400238 609270589 /nfs/dbraw/zinc/27/05/89/609270589.db2.gz SUMHKQODBSWROC-QHHAFSJGSA-N -1 3 373.731 3.464 20 30 FGEDHM Cn1cc(C=CC(=O)c2ccccc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359363 609307819 /nfs/dbraw/zinc/30/78/19/609307819.db2.gz DXUOCGQCHHZHBK-QXMHVHEDSA-N -1 3 356.389 3.163 20 30 FGEDHM Cn1cc(C=CC(=O)c2ccccc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359363 609307821 /nfs/dbraw/zinc/30/78/21/609307821.db2.gz DXUOCGQCHHZHBK-QXMHVHEDSA-N -1 3 356.389 3.163 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(F)ccc2C)c(-c2nnn[n-]2)c2n1CCC2 ZINC000826289674 609309209 /nfs/dbraw/zinc/30/92/09/609309209.db2.gz IXSKXNOPTBQFNM-VURMDHGXSA-N -1 3 351.385 3.266 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(F)ccc2C)c(-c2nn[n-]n2)c2n1CCC2 ZINC000826289674 609309210 /nfs/dbraw/zinc/30/92/10/609309210.db2.gz IXSKXNOPTBQFNM-VURMDHGXSA-N -1 3 351.385 3.266 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1OCc1ccc(C#N)cc1Br ZINC000826255308 609327507 /nfs/dbraw/zinc/32/75/07/609327507.db2.gz SNZROOHBAZWMBC-UHFFFAOYSA-N -1 3 370.210 3.388 20 30 FGEDHM O=C1c2ccc(F)cc2OCCC1=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826475279 609371990 /nfs/dbraw/zinc/37/19/90/609371990.db2.gz AZBKJRJARAQTOP-XFFZJAGNSA-N -1 3 354.316 3.194 20 30 FGEDHM O=C1c2ccc(F)cc2OCCC1=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826475279 609371992 /nfs/dbraw/zinc/37/19/92/609371992.db2.gz AZBKJRJARAQTOP-XFFZJAGNSA-N -1 3 354.316 3.194 20 30 FGEDHM C[C@@H](C#N)Oc1ccccc1NCCCOc1cccc(-c2nnn[n-]2)c1 ZINC000824034499 609511497 /nfs/dbraw/zinc/51/14/97/609511497.db2.gz LAMUPKLPODCYTO-AWEZNQCLSA-N -1 3 364.409 3.039 20 30 FGEDHM C[C@@H](C#N)Oc1ccccc1NCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000824034499 609511498 /nfs/dbraw/zinc/51/14/98/609511498.db2.gz LAMUPKLPODCYTO-AWEZNQCLSA-N -1 3 364.409 3.039 20 30 FGEDHM O=C(C/N=C/c1cc(Br)ccc1[O-])Nc1cccc(F)c1 ZINC000050234183 695901068 /nfs/dbraw/zinc/90/10/68/695901068.db2.gz OWKJPMIDJKBCKC-QGMBQPNBSA-N -1 3 351.175 3.351 20 30 FGEDHM C=CC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Cl ZINC000080757450 700322431 /nfs/dbraw/zinc/32/24/31/700322431.db2.gz DGSQRAHKYFOFTF-QMMMGPOBSA-N -1 3 352.239 3.023 20 30 FGEDHM N#Cc1ccccc1N1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000126936372 700754970 /nfs/dbraw/zinc/75/49/70/700754970.db2.gz FLSPPLRPYNTUGZ-UHFFFAOYSA-N -1 3 372.266 3.349 20 30 FGEDHM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C#N)cc2F)cc1 ZINC000135376477 704843631 /nfs/dbraw/zinc/84/36/31/704843631.db2.gz PEZWUXWSRBJMJM-UHFFFAOYSA-N -1 3 362.382 3.065 20 30 FGEDHM CC(C)(C)OC(=O)NCc1nc(C([O-])=C(C#N)c2ccccn2)cs1 ZINC000171960009 705402788 /nfs/dbraw/zinc/40/27/88/705402788.db2.gz GRJDHDWXQYPDBR-LLVKDONJSA-N -1 3 358.423 3.053 20 30 FGEDHM O=S1(=O)C[C@H](/N=C\c2cc(Br)ccc2[O-])c2ccccc21 ZINC000255453990 713696654 /nfs/dbraw/zinc/69/66/54/713696654.db2.gz AOOUWLUIVKVKPO-KCXFFNSDSA-N -1 3 366.236 3.102 20 30 FGEDHM N#Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000618717025 714771797 /nfs/dbraw/zinc/77/17/97/714771797.db2.gz SCVFSTKBBZYJEE-OAHLLOKOSA-N -1 3 350.802 3.317 20 30 FGEDHM Cc1cc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)ccc1Cl ZINC000779770149 724426081 /nfs/dbraw/zinc/42/60/81/724426081.db2.gz ASKMOUBFOBQYTC-UHFFFAOYSA-N -1 3 367.814 3.010 20 30 FGEDHM C=CCC1([N-]S(=O)(=O)c2oc3ccc(F)cc3c2C)CCOCC1 ZINC000657129224 719570365 /nfs/dbraw/zinc/57/03/65/719570365.db2.gz HQYVXUWAJJRZMR-UHFFFAOYSA-N -1 3 353.415 3.284 20 30 FGEDHM O=C(NCc1ccc([O-])c(F)c1)N1C[C@H](C(F)(F)F)[C@@H](C(F)(F)F)C1 ZINC000674633887 721701902 /nfs/dbraw/zinc/70/19/02/721701902.db2.gz RZJPBALOEVGBPE-IUCAKERBSA-N -1 3 374.256 3.414 20 30 FGEDHM CC[C@H]1CCC[C@@H](C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000783837170 724795069 /nfs/dbraw/zinc/79/50/69/724795069.db2.gz IWEBFIHZYKYXSA-DZGCQCFKSA-N -1 3 353.444 3.216 20 30 FGEDHM COc1ccc(CC(=O)[N-]OCc2ccc(C#N)cc2Cl)cc1OC ZINC000783986324 724810446 /nfs/dbraw/zinc/81/04/46/724810446.db2.gz NLEXPFACBDAUCJ-UHFFFAOYSA-N -1 3 360.797 3.019 20 30 FGEDHM N#CC(=C([O-])c1cnc2ncc(Br)cc2c1)c1ccccn1 ZINC000682012791 722231277 /nfs/dbraw/zinc/23/12/77/722231277.db2.gz QZFOUHUAEKOBDW-ZDUSSCGKSA-N -1 3 353.179 3.277 20 30 FGEDHM Cn1cccc1C=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000727058078 722440653 /nfs/dbraw/zinc/44/06/53/722440653.db2.gz FNWQGSKBESHQPT-UHFFFAOYSA-N -1 3 354.435 3.272 20 30 FGEDHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(C#N)cn3)nc(=O)c2c1C ZINC000730892754 722471757 /nfs/dbraw/zinc/47/17/57/722471757.db2.gz UKMZHHAXHMJLOD-SECBINFHSA-N -1 3 354.391 3.198 20 30 FGEDHM C[C@]1(c2ccc(C(F)(F)F)cc2)[N-]C(=O)N(CC(F)(F)C(F)F)C1=O ZINC000736435928 722523291 /nfs/dbraw/zinc/52/32/91/722523291.db2.gz RNUDHJDEFQAMPH-GFCCVEGCSA-N -1 3 372.240 3.373 20 30 FGEDHM C#CCSCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000739987736 722534606 /nfs/dbraw/zinc/53/46/06/722534606.db2.gz YGSCVICURVERGU-UHFFFAOYSA-N -1 3 357.806 3.004 20 30 FGEDHM CCOc1cc(C=NOCc2cccnc2)cc(Br)c1[O-] ZINC000746587181 722609400 /nfs/dbraw/zinc/60/94/00/722609400.db2.gz IEOFMZNTEPCSMU-UHFFFAOYSA-N -1 3 351.200 3.499 20 30 FGEDHM [O-]c1c(O)cc(CN=Nc2cnc3ccccc3n2)cc1Br ZINC000757574345 722977134 /nfs/dbraw/zinc/97/71/34/722977134.db2.gz JEDAETOYKLHQHS-UHFFFAOYSA-N -1 3 359.183 3.250 20 30 FGEDHM C#C[C@H](CC)NC(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000760913515 723103399 /nfs/dbraw/zinc/10/33/99/723103399.db2.gz HRUIVJVORYETLB-SECBINFHSA-N -1 3 367.630 3.086 20 30 FGEDHM [O-]c1ccc(F)c(C=NN2C(=S)N=NC2c2ccc(F)cc2)c1F ZINC000794488927 723527586 /nfs/dbraw/zinc/52/75/86/723527586.db2.gz SXKWCNOQEDNXDD-UHFFFAOYSA-N -1 3 350.325 3.239 20 30 FGEDHM N#Cc1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1Br ZINC000794736936 723543752 /nfs/dbraw/zinc/54/37/52/723543752.db2.gz SRBFLYVIODYWEN-NTEUORMPSA-N -1 3 368.190 3.044 20 30 FGEDHM Cc1ncc(CO)c(/C=N\Cc2cc3cc(Br)ccc3[nH]2)c1[O-] ZINC000767339096 723615279 /nfs/dbraw/zinc/61/52/79/723615279.db2.gz SQSHVJLVVHRILG-UWVJOHFNSA-N -1 3 374.238 3.451 20 30 FGEDHM C=CCN(C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O)C(C)C ZINC000767873009 723637641 /nfs/dbraw/zinc/63/76/41/723637641.db2.gz DQFGSBXLFTXNME-UHFFFAOYSA-N -1 3 354.328 3.463 20 30 FGEDHM N#Cc1ccccc1N1CCN(Cc2cc(Br)ccc2[O-])CC1 ZINC000768241623 723651488 /nfs/dbraw/zinc/65/14/88/723651488.db2.gz YWWQLMHXJCVZEC-UHFFFAOYSA-N -1 3 372.266 3.349 20 30 FGEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1csc(C(C)C)n1 ZINC000768777218 723667006 /nfs/dbraw/zinc/66/70/06/723667006.db2.gz WEWITMXDWXIGHO-UHFFFAOYSA-N -1 3 351.497 3.153 20 30 FGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2C[C@H]2c2ccccc2Br)c1[O-] ZINC000797399399 723812183 /nfs/dbraw/zinc/81/21/83/723812183.db2.gz XIRWAMNISJDAOC-CFWXFNNNSA-N -1 3 361.239 3.325 20 30 FGEDHM C#C[C@@H](C)N(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000774540490 723904618 /nfs/dbraw/zinc/90/46/18/723904618.db2.gz MOMYOTMXHCCHAW-MRVPVSSYSA-N -1 3 367.630 3.038 20 30 FGEDHM N#Cc1c(F)cccc1S(=O)(=O)[N-]C[C@H](c1ccccc1)C(F)(F)F ZINC000776802838 724184561 /nfs/dbraw/zinc/18/45/61/724184561.db2.gz QRXGEDIFWDWGQU-CYBMUJFWSA-N -1 3 372.343 3.322 20 30 FGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(Cl)nc1C ZINC000802040811 724354948 /nfs/dbraw/zinc/35/49/48/724354948.db2.gz LBZCDLVYXCRJQU-ZDUSSCGKSA-N -1 3 357.797 3.403 20 30 FGEDHM Cc1cc(C#N)ccc1CN1CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C ZINC000805785762 725095233 /nfs/dbraw/zinc/09/52/33/725095233.db2.gz OBCVGSDIMRNDPL-RBOXIYTFSA-N -1 3 353.388 3.144 20 30 FGEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cnn(CCF)c1 ZINC000808979985 725222091 /nfs/dbraw/zinc/22/20/91/725222091.db2.gz QJVZSNQLIIKZJT-ZDUSSCGKSA-N -1 3 369.183 3.121 20 30 FGEDHM N#Cc1cc([O-])cc(C(=O)OCc2noc(-c3ccc(Cl)cc3)n2)c1 ZINC000811186763 725349546 /nfs/dbraw/zinc/34/95/46/725349546.db2.gz XVVBYKLMSHPZOG-UHFFFAOYSA-N -1 3 355.737 3.324 20 30 FGEDHM CSc1cccc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cc(C#N)c2)c1 ZINC000811187427 725349610 /nfs/dbraw/zinc/34/96/10/725349610.db2.gz GRADMVYZZWGDMD-NSHDSACASA-N -1 3 356.403 3.170 20 30 FGEDHM COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc([O-])cc(C#N)c2)cc1Cl ZINC000811188822 725349817 /nfs/dbraw/zinc/34/98/17/725349817.db2.gz YWNZQJDAXABTGM-SNVBAGLBSA-N -1 3 359.765 3.354 20 30 FGEDHM Cc1cc([N-]S(=O)(=O)c2cccc(CC#N)c2)ccc1N1CCCC1 ZINC000811822364 725381825 /nfs/dbraw/zinc/38/18/25/725381825.db2.gz FYLDYGNFRVBUGK-UHFFFAOYSA-N -1 3 355.463 3.462 20 30 FGEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=Cc1ccc(Cl)o1 ZINC000814742067 726996692 /nfs/dbraw/zinc/99/66/92/726996692.db2.gz XHUTZRWZVMWOTM-LBPRGKRZSA-N -1 3 362.798 3.208 20 30 FGEDHM COc1ccc2[nH]cc(C(=O)C=Cc3cc(-c4nnn[n-]4)cs3)c2c1 ZINC000821846320 729122735 /nfs/dbraw/zinc/12/27/35/729122735.db2.gz QKLUWUCQSHLUOZ-HYXAFXHYSA-N -1 3 351.391 3.314 20 30 FGEDHM COc1ccc2[nH]cc(C(=O)C=Cc3cc(-c4nn[n-]n4)cs3)c2c1 ZINC000821846320 729122736 /nfs/dbraw/zinc/12/27/36/729122736.db2.gz QKLUWUCQSHLUOZ-HYXAFXHYSA-N -1 3 351.391 3.314 20 30 FGEDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826401253 729407929 /nfs/dbraw/zinc/40/79/29/729407929.db2.gz TVYBHITXSDOUNS-VURMDHGXSA-N -1 3 355.741 3.324 20 30 FGEDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826401253 729407930 /nfs/dbraw/zinc/40/79/30/729407930.db2.gz TVYBHITXSDOUNS-VURMDHGXSA-N -1 3 355.741 3.324 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@]1(C)CC1(Cl)Cl ZINC000837390016 730024546 /nfs/dbraw/zinc/02/45/46/730024546.db2.gz CIOASUFBBFRNSP-HNNXBMFYSA-N -1 3 357.237 3.335 20 30 FGEDHM N#Cc1cc(NCc2cc(=O)[n-]c(C3CC3)n2)ccc1OC(F)(F)F ZINC000841697084 730265316 /nfs/dbraw/zinc/26/53/16/730265316.db2.gz FRGKNMGENMONHZ-UHFFFAOYSA-N -1 3 350.300 3.442 20 30 FGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cn2c(n1)CCC2 ZINC000842685572 730530923 /nfs/dbraw/zinc/53/09/23/730530923.db2.gz VQQXAUTWGITGAD-JTQLQIEISA-N -1 3 363.204 3.097 20 30 FGEDHM Cc1cc(Br)c(C/N=C\c2c([O-])c(C)ncc2CO)s1 ZINC000849172109 731233611 /nfs/dbraw/zinc/23/36/11/731233611.db2.gz MHKDKIIHMQYIKX-BNCCVWRVSA-N -1 3 355.257 3.339 20 30 FGEDHM C#C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C1CCOCC1 ZINC000851829816 731504426 /nfs/dbraw/zinc/50/44/26/731504426.db2.gz REQQHZFIEGCCSC-CYBMUJFWSA-N -1 3 362.278 3.009 20 30 FGEDHM CSc1ccc([O-])c(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)c1 ZINC000855300221 731916408 /nfs/dbraw/zinc/91/64/08/731916408.db2.gz UXSPJEXLVLKVPH-LJQANCHMSA-N -1 3 353.447 3.207 20 30 FGEDHM C=CCCO[N-]C(=O)Cc1cc(OCC)c(OCC)cc1Br ZINC000856029177 731977178 /nfs/dbraw/zinc/97/71/78/731977178.db2.gz CGURTOBQDVTMKJ-UHFFFAOYSA-N -1 3 372.259 3.413 20 30 FGEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 ZINC000859642057 732366934 /nfs/dbraw/zinc/36/69/34/732366934.db2.gz NUYKANDWOCDGSG-WCQYABFASA-N -1 3 355.312 3.358 20 30 FGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCN(c3ccc(Cl)cc3F)C2)c1[O-] ZINC000864346310 733048806 /nfs/dbraw/zinc/04/88/06/733048806.db2.gz SOFRVGMAUGMUQQ-UCBNSMMZSA-N -1 3 363.820 3.078 20 30 FGEDHM COc1ncc(Br)cc1CN[C@H](C)c1cccc(C#N)c1[O-] ZINC000866398890 733343231 /nfs/dbraw/zinc/34/32/31/733343231.db2.gz PMQVLYCQKVEUQW-SNVBAGLBSA-N -1 3 362.227 3.281 20 30 FGEDHM C=CCOc1ccc(CN[C@@H](C)c2n[n-]c(C(=O)OCC)n2)cc1Cl ZINC000895236419 742389702 /nfs/dbraw/zinc/38/97/02/742389702.db2.gz RBABTZRTYWDJTK-NSHDSACASA-N -1 3 364.833 3.050 20 30 FGEDHM C=CCOc1ccc(CN[C@@H](C)c2nc(C(=O)OCC)n[n-]2)cc1Cl ZINC000895236419 742389706 /nfs/dbraw/zinc/38/97/06/742389706.db2.gz RBABTZRTYWDJTK-NSHDSACASA-N -1 3 364.833 3.050 20 30 FGEDHM C=CCOc1ccc(CN[C@@H](C)c2nnc(C(=O)OCC)[n-]2)cc1Cl ZINC000895236419 742389710 /nfs/dbraw/zinc/38/97/10/742389710.db2.gz RBABTZRTYWDJTK-NSHDSACASA-N -1 3 364.833 3.050 20 30 FGEDHM O=C(c1ccc(I)cc1)N([O-])Cc1ccc(F)cc1 ZINC000900095979 743063621 /nfs/dbraw/zinc/06/36/21/743063621.db2.gz MWBDLAMKWCORAG-UHFFFAOYSA-N -1 3 371.149 3.462 20 30 FGEDHM CS(=O)(=O)c1ccc(C(=O)N([O-])Cc2cccc3ccccc32)cc1 ZINC000900092158 743063703 /nfs/dbraw/zinc/06/37/03/743063703.db2.gz ZUPGLCFVLGWGFK-UHFFFAOYSA-N -1 3 355.415 3.275 20 30 FGEDHM N#C[C@@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1cccc(Cl)c1Cl ZINC000900632081 743140806 /nfs/dbraw/zinc/14/08/06/743140806.db2.gz FWQPRQCPWSITPD-GFCCVEGCSA-N -1 3 363.204 3.361 20 30 FGEDHM CC(=O)N[C@@H](CC(=O)N([O-])Cc1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000901376322 743262762 /nfs/dbraw/zinc/26/27/62/743262762.db2.gz SYQBRDFHBHZYJS-KRWDZBQOSA-N -1 3 364.804 3.464 20 30 FGEDHM C[S@](=O)(=NS(=O)(=O)[N-]c1ccc(CCC#N)cc1)C1CCCCC1 ZINC000901739596 743629335 /nfs/dbraw/zinc/62/93/35/743629335.db2.gz AZESTWDEAFYVSH-HSZRJFAPSA-N -1 3 369.512 3.230 20 30 FGEDHM CC(C)(C)C(=O)c1ccc(S(=O)(=O)[N-][C@H](CC#N)C(F)(F)F)cc1 ZINC000901772320 743637250 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COc1cc(C=NN(C)C(=S)NCc2ccccc2)cc(Cl)c1[O-] ZINC000916278734 758062062 /nfs/dbraw/zinc/06/20/62/758062062.db2.gz SHLJWTSNODBBRL-UHFFFAOYSA-N -1 3 363.870 3.395 20 30 FGEDHM O=S(=O)(Cc1ccccc1)[N-]N=C1CCSc2c(F)cccc21 ZINC000920383990 758546803 /nfs/dbraw/zinc/54/68/03/758546803.db2.gz QYBKFAIALMXNRW-UHFFFAOYSA-N -1 3 350.440 3.145 20 30 FGEDHM CSC1CCC(CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)CC1 ZINC000927390256 759983157 /nfs/dbraw/zinc/98/31/57/759983157.db2.gz HGCOOTOCHOBFLP-UHFFFAOYSA-N -1 3 361.511 3.246 20 30 FGEDHM N#Cc1cc(Cl)cc(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)c1 ZINC000930308404 760576707 /nfs/dbraw/zinc/57/67/07/760576707.db2.gz IRIGJHVITZOISG-UHFFFAOYSA-N -1 3 359.779 3.102 20 30 FGEDHM COc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)ccc1OC(F)F ZINC000036714103 208170466 /nfs/dbraw/zinc/17/04/66/208170466.db2.gz BPHFFJZCRXCWBG-UHFFFAOYSA-N -1 3 352.219 3.070 20 30 FGEDHM COc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)ccc1OC(F)F ZINC000036714103 208170470 /nfs/dbraw/zinc/17/04/70/208170470.db2.gz 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372.428 3.083 20 30 FGEDHM Cc1sc(S(=O)(=O)[N-][C@H](CCC#N)c2ccccc2)cc1[N+](=O)[O-] ZINC000125701985 495484999 /nfs/dbraw/zinc/48/49/99/495484999.db2.gz KUAZLJQKXDYPCS-CYBMUJFWSA-N -1 3 365.436 3.288 20 30 FGEDHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)s1 ZINC000185821875 495738100 /nfs/dbraw/zinc/73/81/00/495738100.db2.gz SMFPLRFFDYAXNQ-SECBINFHSA-N -1 3 355.872 3.059 20 30 FGEDHM CC(C)C[C@H]1OCCC[C@H]1[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000186009772 495819939 /nfs/dbraw/zinc/81/99/39/495819939.db2.gz QDWDQQGPRVVAKI-HUUCEWRRSA-N -1 3 356.875 3.084 20 30 FGEDHM Cn1nnc2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)cc21 ZINC000183503916 496012921 /nfs/dbraw/zinc/01/29/21/496012921.db2.gz PFSNBEPDWDIGFC-LLVKDONJSA-N -1 3 366.331 3.203 20 30 FGEDHM C=CC[C@H](C)NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2[O-])n1 ZINC000183902949 496154213 /nfs/dbraw/zinc/15/42/13/496154213.db2.gz AQUPGLSLFAYODH-LBPRGKRZSA-N -1 3 359.451 3.033 20 30 FGEDHM C=C[C@@H](CC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)c1ccccc1 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FGEDHM CC(C)COc1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000735837923 599196853 /nfs/dbraw/zinc/19/68/53/599196853.db2.gz LJKUAYYEEGEBQR-UHFFFAOYSA-N -1 3 362.393 3.025 20 30 FGEDHM CC(C)COc1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000735837923 599196854 /nfs/dbraw/zinc/19/68/54/599196854.db2.gz LJKUAYYEEGEBQR-UHFFFAOYSA-N -1 3 362.393 3.025 20 30 FGEDHM N#Cc1ccc(NC(=O)C=Cc2ccc(Cl)s2)cc1-c1nnn[n-]1 ZINC000737715558 599200559 /nfs/dbraw/zinc/20/05/59/599200559.db2.gz BBEGVMFVBVUDDK-GQCTYLIASA-N -1 3 356.798 3.105 20 30 FGEDHM N#Cc1ccc(NC(=O)C=Cc2ccc(Cl)s2)cc1-c1nn[n-]n1 ZINC000737715558 599200561 /nfs/dbraw/zinc/20/05/61/599200561.db2.gz BBEGVMFVBVUDDK-GQCTYLIASA-N -1 3 356.798 3.105 20 30 FGEDHM COc1ccccc1C=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000737147104 598314275 /nfs/dbraw/zinc/31/42/75/598314275.db2.gz KAQGBCUQBPKBAT-UHFFFAOYSA-N -1 3 362.315 3.340 20 30 FGEDHM COc1ccccc1C=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000737147104 598314276 /nfs/dbraw/zinc/31/42/76/598314276.db2.gz KAQGBCUQBPKBAT-UHFFFAOYSA-N -1 3 362.315 3.340 20 30 FGEDHM Cc1c(C(=O)C=CC2=Cc3ccccc3OC2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202976 598378538 /nfs/dbraw/zinc/37/85/38/598378538.db2.gz QHTSNLCHGHALTP-CMDGGOBGSA-N -1 3 373.416 3.138 20 30 FGEDHM Cc1c(C(=O)C=CC2=Cc3ccccc3OC2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202976 598378539 /nfs/dbraw/zinc/37/85/39/598378539.db2.gz QHTSNLCHGHALTP-CMDGGOBGSA-N -1 3 373.416 3.138 20 30 FGEDHM C(=NNc1ccc(-c2nn[n-]n2)cc1)c1csc(-c2cccs2)n1 ZINC000735400560 598640984 /nfs/dbraw/zinc/64/09/84/598640984.db2.gz SBAKXOYKGPLJEE-UHFFFAOYSA-N -1 3 353.436 3.498 20 30 FGEDHM N#CC1(NC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCCC1 ZINC000737677309 598699297 /nfs/dbraw/zinc/69/92/97/598699297.db2.gz BTCKPDRIFCLULD-UHFFFAOYSA-N -1 3 374.404 3.225 20 30 FGEDHM N#CC1(NC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCCC1 ZINC000737677309 598699299 /nfs/dbraw/zinc/69/92/99/598699299.db2.gz BTCKPDRIFCLULD-UHFFFAOYSA-N -1 3 374.404 3.225 20 30 FGEDHM Clc1ccc(-c2noc(N=NCc3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000737571203 598789045 /nfs/dbraw/zinc/78/90/45/598789045.db2.gz WFWOPSDBZLWFAJ-UHFFFAOYSA-N -1 3 366.772 3.016 20 30 FGEDHM Clc1ccc(-c2noc(N=NCc3cccc(-c4nn[n-]n4)c3)n2)cc1 ZINC000737571203 598789047 /nfs/dbraw/zinc/78/90/47/598789047.db2.gz WFWOPSDBZLWFAJ-UHFFFAOYSA-N -1 3 366.772 3.016 20 30 FGEDHM COc1cccc(C(=O)C(=Cc2ccc(-c3nnn[n-]3)cc2)c2ncc[nH]2)c1 ZINC000737121560 598802019 /nfs/dbraw/zinc/80/20/19/598802019.db2.gz ODUCWJLWANZZTF-BOPFTXTBSA-N -1 3 372.388 3.022 20 30 FGEDHM COc1cccc(C(=O)C(=Cc2ccc(-c3nn[n-]n3)cc2)c2ncc[nH]2)c1 ZINC000737121560 598802021 /nfs/dbraw/zinc/80/20/21/598802021.db2.gz ODUCWJLWANZZTF-BOPFTXTBSA-N -1 3 372.388 3.022 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cc2ccccc2o1 ZINC000737810256 599462306 /nfs/dbraw/zinc/46/23/06/599462306.db2.gz YQPOSTQEDOQBCW-SREVYHEPSA-N -1 3 356.345 3.157 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cc2ccccc2o1 ZINC000737810256 599462308 /nfs/dbraw/zinc/46/23/08/599462308.db2.gz YQPOSTQEDOQBCW-SREVYHEPSA-N -1 3 356.345 3.157 20 30 FGEDHM CC[C@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1ccc(F)cc1 ZINC000736390179 599517975 /nfs/dbraw/zinc/51/79/75/599517975.db2.gz HNFJYRYVQLKDPE-ZDUSSCGKSA-N -1 3 355.402 3.098 20 30 FGEDHM CC[C@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1ccc(F)cc1 ZINC000736390179 599517976 /nfs/dbraw/zinc/51/79/76/599517976.db2.gz HNFJYRYVQLKDPE-ZDUSSCGKSA-N -1 3 355.402 3.098 20 30 FGEDHM CC1(C)C(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[C@@H]2CCO[C@H]21 ZINC000736204733 599535206 /nfs/dbraw/zinc/53/52/06/599535206.db2.gz GQEJCOJJAUCICK-GXFFZTMASA-N -1 3 366.347 3.098 20 30 FGEDHM CC1(C)C(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)[C@@H]2CCO[C@H]21 ZINC000736204733 599535210 /nfs/dbraw/zinc/53/52/10/599535210.db2.gz GQEJCOJJAUCICK-GXFFZTMASA-N -1 3 366.347 3.098 20 30 FGEDHM N#Cc1ccc(OCCN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000739128795 600328141 /nfs/dbraw/zinc/32/81/41/600328141.db2.gz KRVQYHGONFFWBZ-UHFFFAOYSA-N -1 3 360.360 3.192 20 30 FGEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000822224908 607456297 /nfs/dbraw/zinc/45/62/97/607456297.db2.gz FRRPGMRSFHCPEE-VOTSOKGWSA-N -1 3 353.313 3.119 20 30 FGEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000822224908 607456299 /nfs/dbraw/zinc/45/62/99/607456299.db2.gz FRRPGMRSFHCPEE-VOTSOKGWSA-N -1 3 353.313 3.119 20 30 FGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cnn(-c2ccccc2)c1 ZINC000822922328 607460271 /nfs/dbraw/zinc/46/02/71/607460271.db2.gz FMTTZFUMIPPMDR-CMDGGOBGSA-N -1 3 360.352 3.088 20 30 FGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cnn(-c2ccccc2)c1 ZINC000822922328 607460273 /nfs/dbraw/zinc/46/02/73/607460273.db2.gz FMTTZFUMIPPMDR-CMDGGOBGSA-N -1 3 360.352 3.088 20 30 FGEDHM Cc1ccc2c(c1)OCCC(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000822279611 607462264 /nfs/dbraw/zinc/46/22/64/607462264.db2.gz CGXNFCJWNUIPSU-UKTHLTGXSA-N -1 3 350.353 3.363 20 30 FGEDHM Cc1ccc2c(c1)OCCC(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000822279611 607462266 /nfs/dbraw/zinc/46/22/66/607462266.db2.gz CGXNFCJWNUIPSU-UKTHLTGXSA-N -1 3 350.353 3.363 20 30 FGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ncc(Br)s1 ZINC000826400036 607930725 /nfs/dbraw/zinc/93/07/25/607930725.db2.gz NJOUFBPAGVFGDF-UPHRSURJSA-N -1 3 368.241 3.043 20 30 FGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ncc(Br)s1 ZINC000826400036 607930726 /nfs/dbraw/zinc/93/07/26/607930726.db2.gz NJOUFBPAGVFGDF-UPHRSURJSA-N -1 3 368.241 3.043 20 30 FGEDHM CCC(=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825029360 607587517 /nfs/dbraw/zinc/58/75/17/607587517.db2.gz QKONEGZTXWROCM-RAXLEYEMSA-N -1 3 374.404 3.179 20 30 FGEDHM CCC(=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825029360 607587520 /nfs/dbraw/zinc/58/75/20/607587520.db2.gz QKONEGZTXWROCM-RAXLEYEMSA-N -1 3 374.404 3.179 20 30 FGEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823909367 607666037 /nfs/dbraw/zinc/66/60/37/607666037.db2.gz ALSQNSWPAGMRNU-UHFFFAOYSA-N -1 3 363.421 3.012 20 30 FGEDHM C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823909367 607666039 /nfs/dbraw/zinc/66/60/39/607666039.db2.gz ALSQNSWPAGMRNU-UHFFFAOYSA-N -1 3 363.421 3.012 20 30 FGEDHM C[C@H]1CC(=Cc2cnc3ccc(-c4nnn[n-]4)cn23)C(=O)c2ccccc21 ZINC000824857640 607680483 /nfs/dbraw/zinc/68/04/83/607680483.db2.gz DPWHAPVULCADHI-CJAAZZPWSA-N -1 3 356.389 3.288 20 30 FGEDHM C[C@H]1CC(=Cc2cnc3ccc(-c4nn[n-]n4)cn23)C(=O)c2ccccc21 ZINC000824857640 607680484 /nfs/dbraw/zinc/68/04/84/607680484.db2.gz DPWHAPVULCADHI-CJAAZZPWSA-N -1 3 356.389 3.288 20 30 FGEDHM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c2c1 ZINC000822274881 606054842 /nfs/dbraw/zinc/05/48/42/606054842.db2.gz KZIRVTSENSPMBO-UHFFFAOYSA-N -1 3 371.404 3.099 20 30 FGEDHM Cc1ccc2[nH]cc(CCC(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c2c1 ZINC000822274881 606054848 /nfs/dbraw/zinc/05/48/48/606054848.db2.gz KZIRVTSENSPMBO-UHFFFAOYSA-N -1 3 371.404 3.099 20 30 FGEDHM CN(Cc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC000821609735 606174431 /nfs/dbraw/zinc/17/44/31/606174431.db2.gz JTBAQDVTNUXCQI-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM CN(Cc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC000821609735 606174432 /nfs/dbraw/zinc/17/44/32/606174432.db2.gz JTBAQDVTNUXCQI-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM Cc1cc(Br)ccc1NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822159864 606205886 /nfs/dbraw/zinc/20/58/86/606205886.db2.gz FFUFQHRNYBIBIS-UHFFFAOYSA-N -1 3 363.244 3.445 20 30 FGEDHM Cc1cc(Br)ccc1NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822159864 606205887 /nfs/dbraw/zinc/20/58/87/606205887.db2.gz FFUFQHRNYBIBIS-UHFFFAOYSA-N -1 3 363.244 3.445 20 30 FGEDHM C=CCN(CCc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000819743436 606351817 /nfs/dbraw/zinc/35/18/17/606351817.db2.gz JNOWYZXHCNVDCW-UHFFFAOYSA-N -1 3 366.400 3.268 20 30 FGEDHM C=CCN(CCc1ccccc1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000819743436 606351819 /nfs/dbraw/zinc/35/18/19/606351819.db2.gz JNOWYZXHCNVDCW-UHFFFAOYSA-N -1 3 366.400 3.268 20 30 FGEDHM N#Cc1cccnc1Nc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822842654 606430969 /nfs/dbraw/zinc/43/09/69/606430969.db2.gz SBDIMNQECCZBEA-UHFFFAOYSA-N -1 3 369.388 3.456 20 30 FGEDHM N#Cc1cccnc1Nc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822842654 606430971 /nfs/dbraw/zinc/43/09/71/606430971.db2.gz SBDIMNQECCZBEA-UHFFFAOYSA-N -1 3 369.388 3.456 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822801852 606437604 /nfs/dbraw/zinc/43/76/04/606437604.db2.gz PPBJLRLBCRXCQV-QZTJIDSGSA-N -1 3 373.420 3.170 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822801852 606437606 /nfs/dbraw/zinc/43/76/06/606437606.db2.gz PPBJLRLBCRXCQV-QZTJIDSGSA-N -1 3 373.420 3.170 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(-c2nnn[n-]2)cc1F ZINC000822801072 606452409 /nfs/dbraw/zinc/45/24/09/606452409.db2.gz DMKDIROAGPEMDB-PKOBYXMFSA-N -1 3 362.412 3.278 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(-c2nn[n-]n2)cc1F ZINC000822801072 606452410 /nfs/dbraw/zinc/45/24/10/606452410.db2.gz DMKDIROAGPEMDB-PKOBYXMFSA-N -1 3 362.412 3.278 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CCO[C@H](C)CC(C)C ZINC000819743550 606674117 /nfs/dbraw/zinc/67/41/17/606674117.db2.gz LSPUTCUYOMLWJJ-MRXNPFEDSA-N -1 3 371.485 3.223 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CCO[C@H](C)CC(C)C ZINC000819743550 606674118 /nfs/dbraw/zinc/67/41/18/606674118.db2.gz LSPUTCUYOMLWJJ-MRXNPFEDSA-N -1 3 371.485 3.223 20 30 FGEDHM C=C(C)CN(CC)C(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823877877 607843222 /nfs/dbraw/zinc/84/32/22/607843222.db2.gz JKMBVPQBBFPHEI-NSHDSACASA-N -1 3 365.890 3.425 20 30 FGEDHM C=C(C)CN(CC)C(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823877877 607843223 /nfs/dbraw/zinc/84/32/23/607843223.db2.gz JKMBVPQBBFPHEI-NSHDSACASA-N -1 3 365.890 3.425 20 30 FGEDHM N#Cc1cccc(C(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000826386455 607845180 /nfs/dbraw/zinc/84/51/80/607845180.db2.gz GBUNYERHQXEXOY-UHFFFAOYSA-N -1 3 355.810 3.367 20 30 FGEDHM N#Cc1cccc(C(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000826386455 607845181 /nfs/dbraw/zinc/84/51/81/607845181.db2.gz GBUNYERHQXEXOY-UHFFFAOYSA-N -1 3 355.810 3.367 20 30 FGEDHM CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(N(C)CCC#N)cc1 ZINC000825783124 607975918 /nfs/dbraw/zinc/97/59/18/607975918.db2.gz ZFORLZZPUSMTSH-UHFFFAOYSA-N -1 3 372.436 3.253 20 30 FGEDHM CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(N(C)CCC#N)cc1 ZINC000825783124 607975919 /nfs/dbraw/zinc/97/59/19/607975919.db2.gz ZFORLZZPUSMTSH-UHFFFAOYSA-N -1 3 372.436 3.253 20 30 FGEDHM O=C(C=Cc1nccn1Cc1ccccc1)c1ccc(-c2nnn[n-]2)s1 ZINC000826403097 608093321 /nfs/dbraw/zinc/09/33/21/608093321.db2.gz JSTSPFUNCSSPKR-TWGQIWQCSA-N -1 3 362.418 3.069 20 30 FGEDHM C#C[C@@H](OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000823838388 608454907 /nfs/dbraw/zinc/45/49/07/608454907.db2.gz PHFMTCLZZFFNBR-GOSISDBHSA-N -1 3 374.400 3.014 20 30 FGEDHM C#C[C@@H](OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000823838388 608454909 /nfs/dbraw/zinc/45/49/09/608454909.db2.gz PHFMTCLZZFFNBR-GOSISDBHSA-N -1 3 374.400 3.014 20 30 FGEDHM COc1ccc(C)cc1C(C)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826189809 608536197 /nfs/dbraw/zinc/53/61/97/608536197.db2.gz FYBXUTYBTNALJT-UHFFFAOYSA-N -1 3 357.805 3.068 20 30 FGEDHM COc1ccc(C)cc1C(C)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826189809 608536198 /nfs/dbraw/zinc/53/61/98/608536198.db2.gz FYBXUTYBTNALJT-UHFFFAOYSA-N -1 3 357.805 3.068 20 30 FGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(-n2cccn2)cc1 ZINC000826400586 608878033 /nfs/dbraw/zinc/87/80/33/608878033.db2.gz BXCPZDNTJPGQEY-OQFOIZHKSA-N -1 3 360.352 3.088 20 30 FGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(-n2cccn2)cc1 ZINC000826400586 608878034 /nfs/dbraw/zinc/87/80/34/608878034.db2.gz BXCPZDNTJPGQEY-OQFOIZHKSA-N -1 3 360.352 3.088 20 30 FGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1c(Cl)nc2ccccn21 ZINC000826401051 608881643 /nfs/dbraw/zinc/88/16/43/608881643.db2.gz OAPJIWIFYVEASD-FNORWQNLSA-N -1 3 368.759 3.203 20 30 FGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1c(Cl)nc2ccccn21 ZINC000826401051 608881646 /nfs/dbraw/zinc/88/16/46/608881646.db2.gz OAPJIWIFYVEASD-FNORWQNLSA-N -1 3 368.759 3.203 20 30 FGEDHM O=C(C=Cc1cnn(-c2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402871 609271216 /nfs/dbraw/zinc/27/12/16/609271216.db2.gz DSBPHLMHHLTINZ-TWGQIWQCSA-N -1 3 360.352 3.088 20 30 FGEDHM O=C(C=Cc1cnn(-c2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402871 609271217 /nfs/dbraw/zinc/27/12/17/609271217.db2.gz DSBPHLMHHLTINZ-TWGQIWQCSA-N -1 3 360.352 3.088 20 30 FGEDHM O=C(C=Cc1ccn(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402843 609272833 /nfs/dbraw/zinc/27/28/33/609272833.db2.gz DDXMNCZIGUEXKN-VQHVLOKHSA-N -1 3 360.352 3.088 20 30 FGEDHM O=C(C=Cc1ccn(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402843 609272835 /nfs/dbraw/zinc/27/28/35/609272835.db2.gz DDXMNCZIGUEXKN-VQHVLOKHSA-N -1 3 360.352 3.088 20 30 FGEDHM CCCCCCC[C@]1(C)NC(=O)N([N-]C(=O)c2ccnc(Cl)c2)C1=O ZINC000123092639 700700235 /nfs/dbraw/zinc/70/02/35/700700235.db2.gz OUWZJEKKXFAGDG-KRWDZBQOSA-N -1 3 366.849 3.051 20 30 FGEDHM CCc1nn(C)cc1C([O-])=C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000181253455 705780347 /nfs/dbraw/zinc/78/03/47/705780347.db2.gz YDZURVSAQPPZEL-SNVBAGLBSA-N -1 3 365.220 3.250 20 30 FGEDHM CCc1nn(C)cc1C([O-])=C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000181254205 705780440 /nfs/dbraw/zinc/78/04/40/705780440.db2.gz YOALJCHUPCGOLZ-GFCCVEGCSA-N -1 3 365.220 3.250 20 30 FGEDHM C=CCOc1c(Br)cc(C=C2SC(=O)[N-]C2=O)cc1OC ZINC000214279765 713567065 /nfs/dbraw/zinc/56/70/65/713567065.db2.gz GXLBLGUOINJSRB-YRNVUSSQSA-N -1 3 370.224 3.346 20 30 FGEDHM [O-]c1ccc(Br)cc1/C=N\[C@@H]1CCCN(c2ncccn2)C1 ZINC000255696010 713704655 /nfs/dbraw/zinc/70/46/55/713704655.db2.gz SBISRCRJPORKSU-IPZKOZABSA-N -1 3 361.243 3.033 20 30 FGEDHM C#CCSCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000795857357 723611734 /nfs/dbraw/zinc/61/17/34/723611734.db2.gz QIWBWHVUYYVFRH-UHFFFAOYSA-N -1 3 357.806 3.004 20 30 FGEDHM C#C[C@@H](CCC)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000797455917 723820499 /nfs/dbraw/zinc/82/04/99/723820499.db2.gz HGNPRBOYHGGLGT-JTQLQIEISA-N -1 3 350.665 3.183 20 30 FGEDHM Clc1cc(Br)ccc1C=N[N-]c1[nH+]cnc2[n-]cnc21 ZINC000743437734 722567491 /nfs/dbraw/zinc/56/74/91/722567491.db2.gz HGQDAYDMSSMVKQ-UHFFFAOYSA-N -1 3 351.595 3.215 20 30 FGEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1ccc(C)cn1 ZINC000753534945 722903263 /nfs/dbraw/zinc/90/32/63/722903263.db2.gz XVTGXCMYTIMUJS-LBPRGKRZSA-N -1 3 357.797 3.322 20 30 FGEDHM CCSc1cc(C([O-])=C(C#N)C(=O)Nc2cccc(OC)c2)ccn1 ZINC000755602467 722954811 /nfs/dbraw/zinc/95/48/11/722954811.db2.gz MFYBFONEFUIJTP-OAHLLOKOSA-N -1 3 355.419 3.163 20 30 FGEDHM [O-]c1cccc(Cl)c1CN=Nc1nc(Br)cn2ccnc12 ZINC000755756988 722956581 /nfs/dbraw/zinc/95/65/81/722956581.db2.gz CFXQKJLUNGGVRD-UHFFFAOYSA-N -1 3 366.606 3.297 20 30 FGEDHM CC(C)CN1c2ccc(Br)cc2C(=N[N-]c2cccnn2)C1=O ZINC000756889071 722971388 /nfs/dbraw/zinc/97/13/88/722971388.db2.gz HCRJLBPJMMMVHR-UHFFFAOYSA-N -1 3 374.242 3.058 20 30 FGEDHM CCCCCCCCc1nnc([N-]C(=O)c2coc(C(N)=O)c2)s1 ZINC000759576665 723009810 /nfs/dbraw/zinc/00/98/10/723009810.db2.gz UPTBBXFPOBTQAQ-UHFFFAOYSA-N -1 3 350.444 3.385 20 30 FGEDHM CC(C)Oc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)ccn1 ZINC000759832487 723022915 /nfs/dbraw/zinc/02/29/15/723022915.db2.gz DJYIKFRXYRYZEI-CYBMUJFWSA-N -1 3 357.797 3.483 20 30 FGEDHM COc1cc(/C=C/C(=O)c2cn3cccnc3n2)cc(Br)c1[O-] ZINC000791429857 723242862 /nfs/dbraw/zinc/24/28/62/723242862.db2.gz AALHZIXLTPVIBJ-ONEGZZNKSA-N -1 3 374.194 3.102 20 30 FGEDHM C[C@H](C#N)CSc1ccccc1[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000795317775 723581674 /nfs/dbraw/zinc/58/16/74/723581674.db2.gz JUDOJKAFHBITBJ-KGLIPLIRSA-N -1 3 354.497 3.107 20 30 FGEDHM C#CCN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)C1CCCC1 ZINC000768026922 723643955 /nfs/dbraw/zinc/64/39/55/723643955.db2.gz JBQZYOPTTBVEQP-UHFFFAOYSA-N -1 3 373.250 3.309 20 30 FGEDHM COc1cc(C=NNc2ncnc(Cl)c2C(C)C)c([N+](=O)[O-])cc1[O-] ZINC000797403847 723811931 /nfs/dbraw/zinc/81/19/31/723811931.db2.gz BCCCKXXBLBMJRW-UHFFFAOYSA-N -1 3 365.777 3.322 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]Nc2c(Cl)cc(F)cc2Cl)s1 ZINC000797817633 723865813 /nfs/dbraw/zinc/86/58/13/723865813.db2.gz DULWQKWXVXKFPI-UHFFFAOYSA-N -1 3 366.226 3.371 20 30 FGEDHM O=C1Nc2c(cc([N+](=O)[O-])cc2F)C1=N[N-]c1ncc(Cl)cc1Cl ZINC000774335266 723884148 /nfs/dbraw/zinc/88/41/48/723884148.db2.gz QJPDZPVIZKBKOC-UHFFFAOYSA-N -1 3 370.127 3.204 20 30 FGEDHM CN(C)c1ccncc1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000776186346 724117128 /nfs/dbraw/zinc/11/71/28/724117128.db2.gz XLFUVQBLKDJRDD-UHFFFAOYSA-N -1 3 370.507 3.202 20 30 FGEDHM COC(=O)N1CCC([C@H](C)/N=C\c2cc(Br)ccc2[O-])CC1 ZINC000776722286 724174417 /nfs/dbraw/zinc/17/44/17/724174417.db2.gz PTYDPINWTWDTES-TZQXVGBESA-N -1 3 369.259 3.441 20 30 FGEDHM N#CC1(NC(=O)COC(=O)c2cc3sccc3c([O-])c2)CCCCC1 ZINC000786137930 724962325 /nfs/dbraw/zinc/96/23/25/724962325.db2.gz PTYNIPYCCWWECQ-UHFFFAOYSA-N -1 3 358.419 3.106 20 30 FGEDHM N#Cc1csc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)n1 ZINC000814767889 726998271 /nfs/dbraw/zinc/99/82/71/726998271.db2.gz ZEDGZQNJDUWDKC-UHFFFAOYSA-N -1 3 358.477 3.069 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC[C@@]1(C)C[C@@]1(F)Cl ZINC000822068143 729144374 /nfs/dbraw/zinc/14/43/74/729144374.db2.gz LEVYGCGPYHQERM-IRXDYDNUSA-N -1 3 354.809 3.456 20 30 FGEDHM C=C(C)CN(CC)C(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000823878337 729311051 /nfs/dbraw/zinc/31/10/51/729311051.db2.gz VSDADZNUHCOOLW-LLVKDONJSA-N -1 3 365.890 3.425 20 30 FGEDHM C=C(C)CN(CC)C(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000823878337 729311053 /nfs/dbraw/zinc/31/10/53/729311053.db2.gz VSDADZNUHCOOLW-LLVKDONJSA-N -1 3 365.890 3.425 20 30 FGEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cc2n(n1)CCC2 ZINC000835064261 729854819 /nfs/dbraw/zinc/85/48/19/729854819.db2.gz FRFLGBDUYLYQJG-CYBMUJFWSA-N -1 3 363.204 3.097 20 30 FGEDHM CC(C)(C)n1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n1 ZINC000847624020 731071729 /nfs/dbraw/zinc/07/17/29/731071729.db2.gz JYBJSZDTTGJRBB-NSHDSACASA-N -1 3 362.792 3.392 20 30 FGEDHM COC(=O)CN(CCc1ccc(C#N)cc1)Cc1cc(Cl)ccc1[O-] ZINC000851841728 731507385 /nfs/dbraw/zinc/50/73/85/731507385.db2.gz XRVWVADBBRWYDH-UHFFFAOYSA-N -1 3 358.825 3.135 20 30 FGEDHM C=CCCO[N-]C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000856029946 731977112 /nfs/dbraw/zinc/97/71/12/731977112.db2.gz JRBFHOSOLWUMTG-CYBMUJFWSA-N -1 3 371.264 3.470 20 30 FGEDHM CC(=O)N(c1nc(C=N[N-]c2nc3cccnc3s2)cs1)C1CC1 ZINC000857218676 732112895 /nfs/dbraw/zinc/11/28/95/732112895.db2.gz PIGATGCYMJZGPC-UHFFFAOYSA-N -1 3 358.452 3.109 20 30 FGEDHM C#CC[C@@H](CCOC)[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000859423708 732326862 /nfs/dbraw/zinc/32/68/62/732326862.db2.gz JGWINBJQBDXKNH-NSHDSACASA-N -1 3 369.792 3.066 20 30 FGEDHM CCOc1cc(C=NNC[C@@H]2COc3ccccc3O2)cc(Cl)c1[O-] ZINC000863200840 732922659 /nfs/dbraw/zinc/92/26/59/732922659.db2.gz MXRMFZMPQSPREF-CYBMUJFWSA-N -1 3 362.813 3.208 20 30 FGEDHM Cc1[nH]c(=O)c(Br)cc1C(=O)N([O-])Cc1ccc(F)cc1 ZINC000900095331 743063683 /nfs/dbraw/zinc/06/36/83/743063683.db2.gz YSJAPCHCBUFNKU-UHFFFAOYSA-N -1 3 355.163 3.029 20 30 FGEDHM CC[C@H](C#N)Oc1cc(CNCc2ccc(C(=O)[O-])s2)ccc1OC ZINC000903678749 743872529 /nfs/dbraw/zinc/87/25/29/743872529.db2.gz SAFQQJZEBPNGLA-CYBMUJFWSA-N -1 3 360.435 3.426 20 30 FGEDHM CS(=O)(=O)C1CCC(C/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000905003652 743987711 /nfs/dbraw/zinc/98/77/11/743987711.db2.gz YZBIYIYTWCDYEC-LICLKQGHSA-N -1 3 374.300 3.177 20 30 FGEDHM CC[C@@H](COCC(F)(F)F)[N-]C(=O)C(F)(F)c1ccccc1C#N ZINC000908525326 744295617 /nfs/dbraw/zinc/29/56/17/744295617.db2.gz BJADMYYAYJZBNR-NSHDSACASA-N -1 3 350.287 3.124 20 30 FGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@H](C)c2ccccc2)ccc1F ZINC000914465390 757780919 /nfs/dbraw/zinc/78/09/19/757780919.db2.gz YBELYGSUHZLVAA-CYBMUJFWSA-N -1 3 363.410 3.208 20 30 FGEDHM C=C(Cl)C[C@H]([N-]S(=O)(=O)c1cscc1C(F)F)C(=O)OCC ZINC000918543858 758341033 /nfs/dbraw/zinc/34/10/33/758341033.db2.gz MYYWJQQRLSIWHK-VIFPVBQESA-N -1 3 373.830 3.038 20 30 FGEDHM CC(C)(C#N)CS(=O)(=O)[N-]CC(=O)c1sc2ccccc2c1Cl ZINC000919220886 758406079 /nfs/dbraw/zinc/40/60/79/758406079.db2.gz YFCFYAYIUAYVDL-UHFFFAOYSA-N -1 3 370.883 3.207 20 30 FGEDHM COc1cc(/C=C\C(=O)c2cc(C)nn2C)cc(Br)c1[O-] ZINC000033797179 208101511 /nfs/dbraw/zinc/10/15/11/208101511.db2.gz VROZBMIKBWFIRI-PLNGDYQASA-N -1 3 351.200 3.101 20 30 FGEDHM CCOC(=O)c1sc([N-]C(=O)c2ccccc2[N+](=O)[O-])c(C#N)c1C ZINC000001930581 493800011 /nfs/dbraw/zinc/80/00/11/493800011.db2.gz NQTRDMAROUCLDE-UHFFFAOYSA-N -1 3 359.363 3.265 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ncc(C(C)(C)C)s1 ZINC000081233176 493849265 /nfs/dbraw/zinc/84/92/65/493849265.db2.gz WLVKOMQTBPEWMB-UHFFFAOYSA-N -1 3 358.467 3.189 20 30 FGEDHM CC(=O)NCc1ccc(C([O-])=C(C#N)c2ccc(C(F)(F)F)cn2)cc1 ZINC000041554518 494167372 /nfs/dbraw/zinc/16/73/72/494167372.db2.gz QYBRRWXVIVJUPG-OAHLLOKOSA-N -1 3 361.323 3.227 20 30 FGEDHM N#Cc1cccc(S(=O)(=O)[N-]c2ccc3nc([C@H]4CCCO4)[nH]c3c2)c1 ZINC000066445518 494337454 /nfs/dbraw/zinc/33/74/54/494337454.db2.gz PQPDXWGBPSDDKZ-QGZVFWFLSA-N -1 3 368.418 3.087 20 30 FGEDHM Cc1ccc(F)c2c1N(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CCC2 ZINC000066787307 494409840 /nfs/dbraw/zinc/40/98/40/494409840.db2.gz LEFFVAGHHQAKRK-UHFFFAOYSA-N -1 3 367.424 3.223 20 30 FGEDHM Cc1nc(C)c(CCC(=O)Nc2ccccc2S[C@@H](C)CC#N)c(=O)[n-]1 ZINC000066802028 494412061 /nfs/dbraw/zinc/41/20/61/494412061.db2.gz HZNHEQGFBXGXDQ-LBPRGKRZSA-N -1 3 370.478 3.352 20 30 FGEDHM N#Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2Br)c1 ZINC000020430685 494473858 /nfs/dbraw/zinc/47/38/58/494473858.db2.gz RRSSYOPXFHHXOM-UHFFFAOYSA-N -1 3 355.188 3.261 20 30 FGEDHM CC(C)(C)OC(=O)N(CC(=O)Nc1nnc(C(F)(F)F)[n-]1)CC1CC1 ZINC000079700473 494511005 /nfs/dbraw/zinc/51/10/05/494511005.db2.gz OKZMKESQUKQZEW-UHFFFAOYSA-N -1 3 363.340 3.059 20 30 FGEDHM CC(C)(C)OC(=O)N(CC(=O)Nc1nc(C(F)(F)F)n[n-]1)CC1CC1 ZINC000079700473 494511007 /nfs/dbraw/zinc/51/10/07/494511007.db2.gz OKZMKESQUKQZEW-UHFFFAOYSA-N -1 3 363.340 3.059 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H](CC(F)(F)F)c2ccc(F)cc2)cn1 ZINC000092262971 494578595 /nfs/dbraw/zinc/57/85/95/494578595.db2.gz UBBKGQRMVPXQNB-CQSZACIVSA-N -1 3 373.331 3.064 20 30 FGEDHM N#Cc1ccc(C(=O)[N-]c2nnc(SCc3cccs3)s2)cn1 ZINC000115710270 494602394 /nfs/dbraw/zinc/60/23/94/494602394.db2.gz JOESYAQERVKYKH-UHFFFAOYSA-N -1 3 359.461 3.411 20 30 FGEDHM Cc1cccc([N-]S(=O)(=O)c2cccc(C#N)c2)c1Br ZINC000131528427 494648424 /nfs/dbraw/zinc/64/84/24/494648424.db2.gz KQNXMKGLWGWMLA-UHFFFAOYSA-N -1 3 351.225 3.430 20 30 FGEDHM C=CCN(Cc1ccccc1F)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000117698151 494945913 /nfs/dbraw/zinc/94/59/13/494945913.db2.gz QTWZSKLYQMLBCV-UHFFFAOYSA-N -1 3 362.426 3.026 20 30 FGEDHM COCCN(CCC#N)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000094106570 494951068 /nfs/dbraw/zinc/95/10/68/494951068.db2.gz WZKLSPURQQZVFA-UHFFFAOYSA-N -1 3 352.434 3.180 20 30 FGEDHM N#Cc1ccccc1OC1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000111366660 495067415 /nfs/dbraw/zinc/06/74/15/495067415.db2.gz BOSJWESXXIMFJJ-UHFFFAOYSA-N -1 3 362.476 3.288 20 30 FGEDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(F)cc1 ZINC000124098757 495233686 /nfs/dbraw/zinc/23/36/86/495233686.db2.gz SXBTXTHZEBVFOA-HNNXBMFYSA-N -1 3 368.817 3.017 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccccc2Cl)no1 ZINC000113732502 495328055 /nfs/dbraw/zinc/32/80/55/495328055.db2.gz IDWQPABXFZZZJH-UHFFFAOYSA-N -1 3 354.797 3.352 20 30 FGEDHM CC[C@H](NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1cc(F)ccc1F ZINC000130215069 495358170 /nfs/dbraw/zinc/35/81/70/495358170.db2.gz LOIATAMWNQVYMB-SFHVURJKSA-N -1 3 373.403 3.342 20 30 FGEDHM C[C@@H]1CCC[C@@](C#N)([N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000130553867 495410364 /nfs/dbraw/zinc/41/03/64/495410364.db2.gz CUWZOWXLMAKVMK-BXKDBHETSA-N -1 3 363.302 3.261 20 30 FGEDHM Cc1cccc(S(=O)(=O)[N-]c2ccccc2Br)c1C#N ZINC000137185237 495428801 /nfs/dbraw/zinc/42/88/01/495428801.db2.gz 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CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594758469 507270927 /nfs/dbraw/zinc/27/09/27/507270927.db2.gz RPKYWPCDPMVHPP-SMDDNHRTSA-N -1 3 366.508 3.157 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H](C)C1CCOCC1 ZINC000594764280 507271414 /nfs/dbraw/zinc/27/14/14/507271414.db2.gz JHVJIJHXZGVLGR-GFCCVEGCSA-N -1 3 364.492 3.175 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](C)C[C@@H]1CCOC1 ZINC000594760544 507271822 /nfs/dbraw/zinc/27/18/22/507271822.db2.gz QMZJLRITYBQJJR-FZMZJTMJSA-N -1 3 364.492 3.175 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]C2CCC3(CC3(F)F)CC2)c(Cl)c1 ZINC000594871008 507301067 /nfs/dbraw/zinc/30/10/67/507301067.db2.gz UGRGSXDFMDGOAW-UHFFFAOYSA-N -1 3 360.813 3.458 20 30 FGEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000584691464 507451124 /nfs/dbraw/zinc/45/11/24/507451124.db2.gz IPQOXRKMNKODGQ-UHFFFAOYSA-N -1 3 355.246 3.386 20 30 FGEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000611029271 507486984 /nfs/dbraw/zinc/48/69/84/507486984.db2.gz XMCMHDOCQPDVAX-GFCCVEGCSA-N -1 3 355.872 3.434 20 30 FGEDHM CCC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000611018855 507484763 /nfs/dbraw/zinc/48/47/63/507484763.db2.gz XVSDELXKHRUCGP-GXTWGEPZSA-N -1 3 351.428 3.104 20 30 FGEDHM CC(C)(C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)CC(F)(F)F ZINC000595419345 507487615 /nfs/dbraw/zinc/48/76/15/507487615.db2.gz YQOLTCZGLZRYEV-UHFFFAOYSA-N -1 3 354.781 3.469 20 30 FGEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@@H](C(F)F)C1CCCCC1 ZINC000598628766 507523098 /nfs/dbraw/zinc/52/30/98/507523098.db2.gz QUFSTNSWXNMQEG-OAHLLOKOSA-N -1 3 358.410 3.059 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CF)c1ccc(F)cc1 ZINC000602212403 507628605 /nfs/dbraw/zinc/62/86/05/507628605.db2.gz IJYQVVIZFNTKNF-KRWDZBQOSA-N -1 3 359.376 3.174 20 30 FGEDHM N#Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CC2)ccc1-c1nnn[n-]1 ZINC000737703483 598918931 /nfs/dbraw/zinc/91/89/31/598918931.db2.gz BWPVFKJIEFGYQN-UHFFFAOYSA-N -1 3 364.796 3.062 20 30 FGEDHM N#Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CC2)ccc1-c1nn[n-]n1 ZINC000737703483 598918933 /nfs/dbraw/zinc/91/89/33/598918933.db2.gz BWPVFKJIEFGYQN-UHFFFAOYSA-N -1 3 364.796 3.062 20 30 FGEDHM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000737468308 598922333 /nfs/dbraw/zinc/92/23/33/598922333.db2.gz UPUMCVZSZRTDPC-UHFFFAOYSA-N -1 3 367.438 3.053 20 30 FGEDHM Cc1nc(C(C)(C)C)sc1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000737468308 598922335 /nfs/dbraw/zinc/92/23/35/598922335.db2.gz UPUMCVZSZRTDPC-UHFFFAOYSA-N -1 3 367.438 3.053 20 30 FGEDHM CSc1ccc(C)c(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000737191285 598928324 /nfs/dbraw/zinc/92/83/24/598928324.db2.gz BTRVQWRUJFAKNX-UHFFFAOYSA-N -1 3 350.407 3.021 20 30 FGEDHM CSc1ccc(C)c(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000737191285 598928326 /nfs/dbraw/zinc/92/83/26/598928326.db2.gz BTRVQWRUJFAKNX-UHFFFAOYSA-N -1 3 350.407 3.021 20 30 FGEDHM COc1ccc(Cl)cc1C(C)=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000821825161 607253925 /nfs/dbraw/zinc/25/39/25/607253925.db2.gz TVLARYMQQFYOBZ-UHFFFAOYSA-N -1 3 356.817 3.043 20 30 FGEDHM COc1ccc(Cl)cc1C(C)=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000821825161 607253926 /nfs/dbraw/zinc/25/39/26/607253926.db2.gz TVLARYMQQFYOBZ-UHFFFAOYSA-N -1 3 356.817 3.043 20 30 FGEDHM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1-n1cccc1 ZINC000737314314 599193381 /nfs/dbraw/zinc/19/33/81/599193381.db2.gz BHVFRSAQBOJDQV-UHFFFAOYSA-N -1 3 369.388 3.090 20 30 FGEDHM Cc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1-n1cccc1 ZINC000737314314 599193383 /nfs/dbraw/zinc/19/33/83/599193383.db2.gz BHVFRSAQBOJDQV-UHFFFAOYSA-N -1 3 369.388 3.090 20 30 FGEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC000735559893 599197248 /nfs/dbraw/zinc/19/72/48/599197248.db2.gz NQZKNSYGWIHHHX-JTQLQIEISA-N -1 3 352.785 3.134 20 30 FGEDHM C[C@H](C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC000735559893 599197250 /nfs/dbraw/zinc/19/72/50/599197250.db2.gz NQZKNSYGWIHHHX-JTQLQIEISA-N -1 3 352.785 3.134 20 30 FGEDHM CCCN(Cc1ccc(C#N)cc1)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1 ZINC000821110245 607305320 /nfs/dbraw/zinc/30/53/20/607305320.db2.gz YOGTUPICHMBEHP-UHFFFAOYSA-N -1 3 363.381 3.063 20 30 FGEDHM CCCN(Cc1ccc(C#N)cc1)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1 ZINC000821110245 607305321 /nfs/dbraw/zinc/30/53/21/607305321.db2.gz YOGTUPICHMBEHP-UHFFFAOYSA-N -1 3 363.381 3.063 20 30 FGEDHM C=CCc1cc(CNc2ccc(-c3nn[n-]n3)cc2F)cc(OC)c1OC ZINC000735443624 598242361 /nfs/dbraw/zinc/24/23/61/598242361.db2.gz YNGXJIFROAPWEW-UHFFFAOYSA-N -1 3 369.400 3.364 20 30 FGEDHM N#Cc1ccc(NN=Cc2cccc(-c3nnn[n-]3)c2)cc1C(F)(F)F ZINC000737718049 598314948 /nfs/dbraw/zinc/31/49/48/598314948.db2.gz DNWJGQBGBIADHK-UHFFFAOYSA-N -1 3 357.299 3.203 20 30 FGEDHM N#Cc1ccc(NN=Cc2cccc(-c3nn[n-]n3)c2)cc1C(F)(F)F ZINC000737718049 598314950 /nfs/dbraw/zinc/31/49/50/598314950.db2.gz DNWJGQBGBIADHK-UHFFFAOYSA-N -1 3 357.299 3.203 20 30 FGEDHM CC(=NNCc1ccc(Br)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000735451333 598363190 /nfs/dbraw/zinc/36/31/90/598363190.db2.gz XTCIHUKNRXXUIJ-UHFFFAOYSA-N -1 3 371.242 3.143 20 30 FGEDHM CC(=NNCc1ccc(Br)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000735451333 598363192 /nfs/dbraw/zinc/36/31/92/598363192.db2.gz XTCIHUKNRXXUIJ-UHFFFAOYSA-N -1 3 371.242 3.143 20 30 FGEDHM C=CCSc1ccccc1NC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000735442532 598415380 /nfs/dbraw/zinc/41/53/80/598415380.db2.gz FLDXPEXCKPOLET-UHFFFAOYSA-N -1 3 366.450 3.195 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C)ccc1F ZINC000735421070 598417943 /nfs/dbraw/zinc/41/79/43/598417943.db2.gz XEZPXCCZKFRYCN-UHFFFAOYSA-N -1 3 351.385 3.143 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C)ccc1F ZINC000735421070 598417944 /nfs/dbraw/zinc/41/79/44/598417944.db2.gz XEZPXCCZKFRYCN-UHFFFAOYSA-N -1 3 351.385 3.143 20 30 FGEDHM CSC=CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821956364 607358484 /nfs/dbraw/zinc/35/84/84/607358484.db2.gz NACNKYWNEDXCGI-NNNHXZLVSA-N -1 3 368.447 3.043 20 30 FGEDHM CSC=CC(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821956364 607358485 /nfs/dbraw/zinc/35/84/85/607358485.db2.gz NACNKYWNEDXCGI-NNNHXZLVSA-N -1 3 368.447 3.043 20 30 FGEDHM C#Cc1cccc(N(C(=O)CCc2ccc(-c3nnn[n-]3)cc2)C(C)C)c1 ZINC000735389472 598608822 /nfs/dbraw/zinc/60/88/22/598608822.db2.gz BSQYZVJZSRHENY-UHFFFAOYSA-N -1 3 359.433 3.222 20 30 FGEDHM C#Cc1cccc(N(C(=O)CCc2ccc(-c3nn[n-]n3)cc2)C(C)C)c1 ZINC000735389472 598608824 /nfs/dbraw/zinc/60/88/24/598608824.db2.gz BSQYZVJZSRHENY-UHFFFAOYSA-N -1 3 359.433 3.222 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)Cc1ccccc1 ZINC000735419654 598741303 /nfs/dbraw/zinc/74/13/03/598741303.db2.gz YRCNDSOBMQWCCF-INIZCTEOSA-N -1 3 361.449 3.260 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)Cc1ccccc1 ZINC000735419654 598741304 /nfs/dbraw/zinc/74/13/04/598741304.db2.gz YRCNDSOBMQWCCF-INIZCTEOSA-N -1 3 361.449 3.260 20 30 FGEDHM N#CC1(C(=O)Nc2ccc(Oc3ccc(-c4nnn[n-]4)cc3)cc2)CCC1 ZINC000737674298 599373365 /nfs/dbraw/zinc/37/33/65/599373365.db2.gz ISBMQGUGTBTFIZ-UHFFFAOYSA-N -1 3 360.377 3.291 20 30 FGEDHM N#CC1(C(=O)Nc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)CCC1 ZINC000737674298 599373368 /nfs/dbraw/zinc/37/33/68/599373368.db2.gz ISBMQGUGTBTFIZ-UHFFFAOYSA-N -1 3 360.377 3.291 20 30 FGEDHM CSc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000737193333 599461363 /nfs/dbraw/zinc/46/13/63/599461363.db2.gz PSFNLYWOXXQOGS-VMPITWQZSA-N -1 3 362.418 3.132 20 30 FGEDHM CSc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000737193333 599461365 /nfs/dbraw/zinc/46/13/65/599461365.db2.gz PSFNLYWOXXQOGS-VMPITWQZSA-N -1 3 362.418 3.132 20 30 FGEDHM C[C@@H](C#N)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000735505678 599494221 /nfs/dbraw/zinc/49/42/21/599494221.db2.gz UVUMBPNQYXGWBR-JTQLQIEISA-N -1 3 368.784 3.411 20 30 FGEDHM N#Cc1ccc(OC2CCN(CCOc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC000739128830 600103936 /nfs/dbraw/zinc/10/39/36/600103936.db2.gz LPZXATDFVSXEID-UHFFFAOYSA-N -1 3 366.417 3.179 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000826250059 607432131 /nfs/dbraw/zinc/43/21/31/607432131.db2.gz IVDPSOLVNSVGCP-UHFFFAOYSA-N -1 3 372.310 3.318 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000826250059 607432132 /nfs/dbraw/zinc/43/21/32/607432132.db2.gz IVDPSOLVNSVGCP-UHFFFAOYSA-N -1 3 372.310 3.318 20 30 FGEDHM C=CCN(CC(=O)NCc1ccc(NC(=O)[O-])cc1)CC1CCCCC1 ZINC000736108245 600461925 /nfs/dbraw/zinc/46/19/25/600461925.db2.gz POANSVSXGZZIME-UHFFFAOYSA-N -1 3 359.470 3.461 20 30 FGEDHM N#Cc1ccc([C@@H](NCc2ccc(Br)c(F)c2)C(=O)[O-])cc1 ZINC000739104422 600596460 /nfs/dbraw/zinc/59/64/60/600596460.db2.gz APCLJDAEIWWZBG-OAHLLOKOSA-N -1 3 363.186 3.375 20 30 FGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cnn(Cc2ccccc2)c1 ZINC000822924053 607460733 /nfs/dbraw/zinc/46/07/33/607460733.db2.gz WDJHXKIQWAJSDG-CMDGGOBGSA-N -1 3 374.379 3.147 20 30 FGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cnn(Cc2ccccc2)c1 ZINC000822924053 607460734 /nfs/dbraw/zinc/46/07/34/607460734.db2.gz WDJHXKIQWAJSDG-CMDGGOBGSA-N -1 3 374.379 3.147 20 30 FGEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)CO2 ZINC000822195087 607458497 /nfs/dbraw/zinc/45/84/97/607458497.db2.gz GYLDUUSYKLQDQG-AUWJEWJLSA-N -1 3 350.353 3.281 20 30 FGEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)CO2 ZINC000822195087 607458499 /nfs/dbraw/zinc/45/84/99/607458499.db2.gz GYLDUUSYKLQDQG-AUWJEWJLSA-N -1 3 350.353 3.281 20 30 FGEDHM CC1CCN(c2ccc(CN[C@@H](C(=O)[O-])c3cccc(C#N)c3)cn2)CC1 ZINC000828303373 601300287 /nfs/dbraw/zinc/30/02/87/601300287.db2.gz PURZXKNEPPYBNX-HXUWFJFHSA-N -1 3 364.449 3.105 20 30 FGEDHM N#Cc1cc(CN[C@@H](C(=O)[O-])c2ccc(Br)cc2)ccc1F ZINC000833068872 602237456 /nfs/dbraw/zinc/23/74/56/602237456.db2.gz ORPYMORMFRDBHJ-OAHLLOKOSA-N -1 3 363.186 3.375 20 30 FGEDHM N#CCOc1ccc(Cl)cc1CN(C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000740305916 602992399 /nfs/dbraw/zinc/99/23/99/602992399.db2.gz XEFZSGCFKOKUQQ-UHFFFAOYSA-N -1 3 363.845 3.349 20 30 FGEDHM C=C(C)CN1CCC(NC(=O)Nc2ccccc2CN(CC)C(=O)[O-])CC1 ZINC000738485187 603352327 /nfs/dbraw/zinc/35/23/27/603352327.db2.gz DDICJQOGRGSQLZ-UHFFFAOYSA-N -1 3 374.485 3.349 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000826250521 607667412 /nfs/dbraw/zinc/66/74/12/607667412.db2.gz FJAXVOYSMYRLCW-UHFFFAOYSA-N -1 3 362.393 3.110 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000826250521 607667414 /nfs/dbraw/zinc/66/74/14/607667414.db2.gz FJAXVOYSMYRLCW-UHFFFAOYSA-N -1 3 362.393 3.110 20 30 FGEDHM Cc1cc(C#N)ccc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000826256946 607675452 /nfs/dbraw/zinc/67/54/52/607675452.db2.gz HMJAZYYNHQIARJ-UHFFFAOYSA-N -1 3 360.421 3.098 20 30 FGEDHM Cc1cc(C#N)ccc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000826256946 607675453 /nfs/dbraw/zinc/67/54/53/607675453.db2.gz HMJAZYYNHQIARJ-UHFFFAOYSA-N -1 3 360.421 3.098 20 30 FGEDHM N#CC(C(=O)CCCCNC(=O)[O-])c1nc2ccccc2n1C(F)F ZINC000833961611 605909353 /nfs/dbraw/zinc/90/93/53/605909353.db2.gz RXTUNORFZQOOMD-JTQLQIEISA-N -1 3 350.325 3.046 20 30 FGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000822922912 606302561 /nfs/dbraw/zinc/30/25/61/606302561.db2.gz KVPPGCOUECKSDB-RQOWECAXSA-N -1 3 361.770 3.386 20 30 FGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000822922912 606302562 /nfs/dbraw/zinc/30/25/62/606302562.db2.gz KVPPGCOUECKSDB-RQOWECAXSA-N -1 3 361.770 3.386 20 30 FGEDHM C=CCCOCC(=O)Oc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819740371 606360761 /nfs/dbraw/zinc/36/07/61/606360761.db2.gz YLYUEXGGMIZGQK-UHFFFAOYSA-N -1 3 366.377 3.157 20 30 FGEDHM C=CCCOCC(=O)Oc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819740371 606360763 /nfs/dbraw/zinc/36/07/63/606360763.db2.gz YLYUEXGGMIZGQK-UHFFFAOYSA-N -1 3 366.377 3.157 20 30 FGEDHM C#C[C@@H](C)OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819688831 606396571 /nfs/dbraw/zinc/39/65/71/606396571.db2.gz NZHMCOSNMYSDME-GFCCVEGCSA-N -1 3 350.403 3.196 20 30 FGEDHM C#C[C@@H](C)OC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819688831 606396572 /nfs/dbraw/zinc/39/65/72/606396572.db2.gz NZHMCOSNMYSDME-GFCCVEGCSA-N -1 3 350.403 3.196 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000822802301 606420367 /nfs/dbraw/zinc/42/03/67/606420367.db2.gz YZGYTNHVSIFUCH-GOEBONIOSA-N -1 3 365.828 3.191 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000822802301 606420369 /nfs/dbraw/zinc/42/03/69/606420369.db2.gz YZGYTNHVSIFUCH-GOEBONIOSA-N -1 3 365.828 3.191 20 30 FGEDHM N#Cc1cccnc1Nc1ccc(OCc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822842783 606432849 /nfs/dbraw/zinc/43/28/49/606432849.db2.gz YKKXJXJCARPULY-UHFFFAOYSA-N -1 3 369.388 3.456 20 30 FGEDHM N#Cc1cccnc1Nc1ccc(OCc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822842783 606432851 /nfs/dbraw/zinc/43/28/51/606432851.db2.gz YKKXJXJCARPULY-UHFFFAOYSA-N -1 3 369.388 3.456 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000822801390 606452454 /nfs/dbraw/zinc/45/24/54/606452454.db2.gz IILORAJHIXUMNX-RTBURBONSA-N -1 3 362.412 3.278 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000822801390 606452456 /nfs/dbraw/zinc/45/24/56/606452456.db2.gz IILORAJHIXUMNX-RTBURBONSA-N -1 3 362.412 3.278 20 30 FGEDHM C[C@@H]1CCc2c(sc(NC(=O)c3ccc(C#N)s3)c2-c2nnn[n-]2)C1 ZINC000820734057 606488716 /nfs/dbraw/zinc/48/87/16/606488716.db2.gz KUWMSQZTWOOPEA-MRVPVSSYSA-N -1 3 370.463 3.238 20 30 FGEDHM C[C@@H]1CCc2c(sc(NC(=O)c3ccc(C#N)s3)c2-c2nn[n-]n2)C1 ZINC000820734057 606488718 /nfs/dbraw/zinc/48/87/18/606488718.db2.gz KUWMSQZTWOOPEA-MRVPVSSYSA-N -1 3 370.463 3.238 20 30 FGEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C#N)s1 ZINC000820086567 606504912 /nfs/dbraw/zinc/50/49/12/606504912.db2.gz ANOLRNIRFZZVAE-UHFFFAOYSA-N -1 3 366.450 3.098 20 30 FGEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C#N)s1 ZINC000820086567 606504913 /nfs/dbraw/zinc/50/49/13/606504913.db2.gz ANOLRNIRFZZVAE-UHFFFAOYSA-N -1 3 366.450 3.098 20 30 FGEDHM O=C(C=Cc1cnc(-c2ccccn2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822936992 606600335 /nfs/dbraw/zinc/60/03/35/606600335.db2.gz YKERQNXTPIYYLA-CMDGGOBGSA-N -1 3 360.402 3.281 20 30 FGEDHM O=C(C=Cc1cnc(-c2ccccn2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822936992 606600336 /nfs/dbraw/zinc/60/03/36/606600336.db2.gz YKERQNXTPIYYLA-CMDGGOBGSA-N -1 3 360.402 3.281 20 30 FGEDHM O=C(C=Cc1c[nH]nc1-c1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000822923271 606695264 /nfs/dbraw/zinc/69/52/64/606695264.db2.gz PJJOPGRCDSGEAY-MDZDMXLPSA-N -1 3 360.352 3.292 20 30 FGEDHM O=C(C=Cc1c[nH]nc1-c1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000822923271 606695265 /nfs/dbraw/zinc/69/52/65/606695265.db2.gz PJJOPGRCDSGEAY-MDZDMXLPSA-N -1 3 360.352 3.292 20 30 FGEDHM CC(N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C1CCOCC1 ZINC000819772528 606702972 /nfs/dbraw/zinc/70/29/72/606702972.db2.gz FHNPPJUIPLXTJR-UHFFFAOYSA-N -1 3 354.336 3.100 20 30 FGEDHM CC(N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C1CCOCC1 ZINC000819772528 606702973 /nfs/dbraw/zinc/70/29/73/606702973.db2.gz FHNPPJUIPLXTJR-UHFFFAOYSA-N -1 3 354.336 3.100 20 30 FGEDHM O=C1c2ccc(Br)cc2OC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823503801 606764051 /nfs/dbraw/zinc/76/40/51/606764051.db2.gz IXYURACDJZWYMF-AUWJEWJLSA-N -1 3 369.178 3.245 20 30 FGEDHM O=C1c2ccc(Br)cc2OC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823503801 606764053 /nfs/dbraw/zinc/76/40/53/606764053.db2.gz IXYURACDJZWYMF-AUWJEWJLSA-N -1 3 369.178 3.245 20 30 FGEDHM N#Cc1ccc(Cl)cc1OCCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000822826455 606781667 /nfs/dbraw/zinc/78/16/67/606781667.db2.gz ZDGCIZYTODNXHZ-UHFFFAOYSA-N -1 3 355.785 3.240 20 30 FGEDHM C#CCN(CC)C(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000819697840 606786947 /nfs/dbraw/zinc/78/69/47/606786947.db2.gz LZHMXNPKEVAMEM-UHFFFAOYSA-N -1 3 361.405 3.063 20 30 FGEDHM C#CCN(CC)C(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000819697840 606786949 /nfs/dbraw/zinc/78/69/49/606786949.db2.gz LZHMXNPKEVAMEM-UHFFFAOYSA-N -1 3 361.405 3.063 20 30 FGEDHM c1ccc2ncc(CNN=C3CCCc4cc(-c5nnn[n-]5)ccc43)cc2c1 ZINC000823802515 606994740 /nfs/dbraw/zinc/99/47/40/606994740.db2.gz RCPJFZXWNHOKIH-UHFFFAOYSA-N -1 3 369.432 3.245 20 30 FGEDHM c1ccc2ncc(CNN=C3CCCc4cc(-c5nn[n-]n5)ccc43)cc2c1 ZINC000823802515 606994741 /nfs/dbraw/zinc/99/47/41/606994741.db2.gz RCPJFZXWNHOKIH-UHFFFAOYSA-N -1 3 369.432 3.245 20 30 FGEDHM N#CCOc1ccc(Cl)cc1COc1ccc(-c2nnn[n-]2)cc1F ZINC000822815001 607135672 /nfs/dbraw/zinc/13/56/72/607135672.db2.gz MTKKIWMHAXAFHI-UHFFFAOYSA-N -1 3 359.748 3.141 20 30 FGEDHM N#CCOc1ccc(Cl)cc1COc1ccc(-c2nn[n-]n2)cc1F ZINC000822815001 607135673 /nfs/dbraw/zinc/13/56/73/607135673.db2.gz MTKKIWMHAXAFHI-UHFFFAOYSA-N -1 3 359.748 3.141 20 30 FGEDHM Cc1ccc(C=NNCc2ccc(-c3nnn[n-]3)cc2)c(Br)c1 ZINC000826285937 607807989 /nfs/dbraw/zinc/80/79/89/607807989.db2.gz OIVYCQPPOIJYCJ-UHFFFAOYSA-N -1 3 371.242 3.061 20 30 FGEDHM Cc1ccc(C=NNCc2ccc(-c3nn[n-]n3)cc2)c(Br)c1 ZINC000826285937 607807990 /nfs/dbraw/zinc/80/79/90/607807990.db2.gz OIVYCQPPOIJYCJ-UHFFFAOYSA-N -1 3 371.242 3.061 20 30 FGEDHM Cc1cccc(N=C2NC(=O)C(=Cc3ccccc3-c3nnn[n-]3)S2)c1 ZINC000826299330 607883702 /nfs/dbraw/zinc/88/37/02/607883702.db2.gz ABDOBACYXGRHED-GDNBJRDFSA-N -1 3 362.418 3.067 20 30 FGEDHM Cc1cccc(N=C2NC(=O)C(=Cc3ccccc3-c3nn[n-]n3)S2)c1 ZINC000826299330 607883703 /nfs/dbraw/zinc/88/37/03/607883703.db2.gz ABDOBACYXGRHED-GDNBJRDFSA-N -1 3 362.418 3.067 20 30 FGEDHM COc1nc2ccccc2cc1C=CC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826221810 608121499 /nfs/dbraw/zinc/12/14/99/608121499.db2.gz WDFDHWHWBCYESA-MDZDMXLPSA-N -1 3 357.373 3.320 20 30 FGEDHM COc1nc2ccccc2cc1C=CC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826221810 608121500 /nfs/dbraw/zinc/12/15/00/608121500.db2.gz WDFDHWHWBCYESA-MDZDMXLPSA-N -1 3 357.373 3.320 20 30 FGEDHM C=CCOc1ccccc1C(=O)O[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000823932026 608181449 /nfs/dbraw/zinc/18/14/49/608181449.db2.gz KQTQYRUPIRVJLG-ZDUSSCGKSA-N -1 3 350.378 3.350 20 30 FGEDHM C=CCOc1ccccc1C(=O)O[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000823932026 608181451 /nfs/dbraw/zinc/18/14/51/608181451.db2.gz KQTQYRUPIRVJLG-ZDUSSCGKSA-N -1 3 350.378 3.350 20 30 FGEDHM N#Cc1c(Cl)nsc1N(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826383394 608182108 /nfs/dbraw/zinc/18/21/08/608182108.db2.gz YPHZXGPAVROXHF-UHFFFAOYSA-N -1 3 357.830 3.017 20 30 FGEDHM N#Cc1c(Cl)nsc1N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826383394 608182109 /nfs/dbraw/zinc/18/21/09/608182109.db2.gz YPHZXGPAVROXHF-UHFFFAOYSA-N -1 3 357.830 3.017 20 30 FGEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1snc(Cl)c1C#N ZINC000825322650 608190596 /nfs/dbraw/zinc/19/05/96/608190596.db2.gz HPJNJIHKROORDC-UHFFFAOYSA-N -1 3 359.846 3.265 20 30 FGEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1snc(Cl)c1C#N ZINC000825322650 608190598 /nfs/dbraw/zinc/19/05/98/608190598.db2.gz HPJNJIHKROORDC-UHFFFAOYSA-N -1 3 359.846 3.265 20 30 FGEDHM Fc1cccc(Cl)c1C=NNc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826377508 608537951 /nfs/dbraw/zinc/53/79/51/608537951.db2.gz UVNDIQHEYKLIOC-UHFFFAOYSA-N -1 3 352.160 3.154 20 30 FGEDHM C=CCN(Cc1ccc(-c2nnn[n-]2)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000823919412 608652732 /nfs/dbraw/zinc/65/27/32/608652732.db2.gz FEDHKBIIGLTESK-UHFFFAOYSA-N -1 3 356.411 3.025 20 30 FGEDHM C=CCN(Cc1ccc(-c2nn[n-]n2)s1)Cc1cccc([N+](=O)[O-])c1 ZINC000823919412 608652734 /nfs/dbraw/zinc/65/27/34/608652734.db2.gz FEDHKBIIGLTESK-UHFFFAOYSA-N -1 3 356.411 3.025 20 30 FGEDHM Cc1cn2c(/C=C/C(=O)c3ccc(-c4nn[n-]n4)c(F)c3)c(C)nc2s1 ZINC000826317073 609134247 /nfs/dbraw/zinc/13/42/47/609134247.db2.gz LSYUKKOLKUWWGF-AATRIKPKSA-N -1 3 368.397 3.228 20 30 FGEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824034990 609263103 /nfs/dbraw/zinc/26/31/03/609263103.db2.gz RGLITKJFUUNWFQ-JTQLQIEISA-N -1 3 368.784 3.063 20 30 FGEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824034990 609263105 /nfs/dbraw/zinc/26/31/05/609263105.db2.gz RGLITKJFUUNWFQ-JTQLQIEISA-N -1 3 368.784 3.063 20 30 FGEDHM O=C(C=Cc1c[nH]c(-c2ccccc2)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826399948 609272287 /nfs/dbraw/zinc/27/22/87/609272287.db2.gz KWHXVPDKLQCAIJ-CLFYSBASSA-N -1 3 360.352 3.292 20 30 FGEDHM O=C(C=Cc1c[nH]c(-c2ccccc2)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826399948 609272289 /nfs/dbraw/zinc/27/22/89/609272289.db2.gz KWHXVPDKLQCAIJ-CLFYSBASSA-N -1 3 360.352 3.292 20 30 FGEDHM CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958632 609277296 /nfs/dbraw/zinc/27/72/96/609277296.db2.gz UBQHJUFLLNBQEM-UHFFFAOYSA-N -1 3 350.279 3.259 20 30 FGEDHM CC(=NNc1cc(F)c(F)c(F)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958632 609277297 /nfs/dbraw/zinc/27/72/97/609277297.db2.gz UBQHJUFLLNBQEM-UHFFFAOYSA-N -1 3 350.279 3.259 20 30 FGEDHM Cc1cc(C#N)ccc1C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000826256888 609617139 /nfs/dbraw/zinc/61/71/39/609617139.db2.gz FGIYRIWOIGJFBP-UHFFFAOYSA-N -1 3 353.769 3.057 20 30 FGEDHM Cc1cc(C#N)ccc1C(=O)OCc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000826256888 609617141 /nfs/dbraw/zinc/61/71/41/609617141.db2.gz FGIYRIWOIGJFBP-UHFFFAOYSA-N -1 3 353.769 3.057 20 30 FGEDHM O=C(C1CCCC1)N1CC[C@H](/N=C/c2cc(Br)ccc2[O-])C1 ZINC000122911803 700697532 /nfs/dbraw/zinc/69/75/32/700697532.db2.gz NFEFUJWWPIDRQD-RPJLVFAOSA-N -1 3 365.271 3.365 20 30 FGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC[C@@H]2CC)ccc1F ZINC000155775654 705090826 /nfs/dbraw/zinc/09/08/26/705090826.db2.gz SSVWUUAANNYOHJ-HNNXBMFYSA-N -1 3 368.474 3.085 20 30 FGEDHM C#CCCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000162832871 705304331 /nfs/dbraw/zinc/30/43/31/705304331.db2.gz FKNNZSGXROXBQM-UHFFFAOYSA-N -1 3 361.394 3.115 20 30 FGEDHM [O-]c1ccc(Br)cc1C=NNC(=S)NCc1ccccc1 ZINC000254765531 713676690 /nfs/dbraw/zinc/67/66/90/713676690.db2.gz DBXFZCMAHCQTCL-UHFFFAOYSA-N -1 3 364.268 3.153 20 30 FGEDHM Cc1ncc(CO)c(/C=N/CCc2cn(C)c3cc(Cl)ccc23)c1[O-] ZINC000780150503 724450925 /nfs/dbraw/zinc/45/09/25/724450925.db2.gz VNKNNZOXQFDLDM-ZVBGSRNCSA-N -1 3 357.841 3.395 20 30 FGEDHM CC[C@@H]1CCC[C@H](C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000783837171 724795003 /nfs/dbraw/zinc/79/50/03/724795003.db2.gz IWEBFIHZYKYXSA-HIFRSBDPSA-N -1 3 353.444 3.216 20 30 FGEDHM COc1ccc(NC(=S)NN=C(C)c2cc(Cl)ccc2[O-])cn1 ZINC000729640672 722461225 /nfs/dbraw/zinc/46/12/25/722461225.db2.gz GWILBQZQPOLDJD-UHFFFAOYSA-N -1 3 350.831 3.160 20 30 FGEDHM Cc1ncc(CO)c(/C=N/[C@H]2CCCN(c3ccccc3Cl)C2)c1[O-] ZINC000741466454 722546212 /nfs/dbraw/zinc/54/62/12/722546212.db2.gz RQMXBYJKLVAEGJ-GTQIFZCBSA-N -1 3 359.857 3.329 20 30 FGEDHM CCCOc1ccc(C(C)=N[N-]S(=O)(=O)CCc2ccccc2)cc1 ZINC000743448145 722567617 /nfs/dbraw/zinc/56/76/17/722567617.db2.gz AEKJBSFLEGWJOE-UHFFFAOYSA-N -1 3 360.479 3.362 20 30 FGEDHM O=C1[C@H](/N=C/c2cc(Br)ccc2[O-])CCN1Cc1ccccc1 ZINC000743538578 722568576 /nfs/dbraw/zinc/56/85/76/722568576.db2.gz NEVKSKCWUBFTRY-MBTVCVBTSA-N -1 3 373.250 3.375 20 30 FGEDHM N#CCc1ccc(NC(=O)COC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000748473950 722692731 /nfs/dbraw/zinc/69/27/31/722692731.db2.gz CRZDMUGLJHEOJV-UHFFFAOYSA-N -1 3 362.744 3.046 20 30 FGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc2cc(O)ccc2c1 ZINC000748786439 722704262 /nfs/dbraw/zinc/70/42/62/722704262.db2.gz PWAZDAHWKVFKAO-UHFFFAOYSA-N -1 3 354.431 3.389 20 30 FGEDHM Cc1nc2sc3c(c2c(=O)n1N=Cc1ccc([O-])cn1)CCCCC3 ZINC000755523973 722954157 /nfs/dbraw/zinc/95/41/57/722954157.db2.gz FVSQKSVLMGCTAP-UHFFFAOYSA-N -1 3 354.435 3.018 20 30 FGEDHM CC(C)(C)n1ncc2c1nc(NN=Cc1c([O-])cccc1Cl)[nH]c2=O ZINC000755724831 722956085 /nfs/dbraw/zinc/95/60/85/722956085.db2.gz AXFWBZMJNZESJP-UHFFFAOYSA-N -1 3 360.805 3.092 20 30 FGEDHM C=CCC[C@H](NCc1cn(-c2ccc(Cl)cc2Cl)nn1)C(=O)[O-] ZINC000756380184 722963645 /nfs/dbraw/zinc/96/36/45/722963645.db2.gz QQGMDYDOBFVALX-ZDUSSCGKSA-N -1 3 355.225 3.083 20 30 FGEDHM C#CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000756973522 722972688 /nfs/dbraw/zinc/97/26/88/722972688.db2.gz CFUYECDSVUIQGN-AWEZNQCLSA-N -1 3 364.810 3.291 20 30 FGEDHM CCOc1cc(C=NNCCC(F)(F)F)cc(Br)c1[O-] ZINC000794553135 723530267 /nfs/dbraw/zinc/53/02/67/723530267.db2.gz XOZRGAAUZGGQKA-UHFFFAOYSA-N -1 3 355.154 3.429 20 30 FGEDHM Cc1c(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cnn1CC(C)C ZINC000766622997 723584209 /nfs/dbraw/zinc/58/42/09/723584209.db2.gz MISPAJLSOAKZHV-ZDUSSCGKSA-N -1 3 358.829 3.462 20 30 FGEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)c1nc(C(C)C)no1 ZINC000795766296 723609100 /nfs/dbraw/zinc/60/91/00/723609100.db2.gz JFCRWUGGDRJORU-CYBMUJFWSA-N -1 3 362.455 3.163 20 30 FGEDHM C#C[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1ccc(Cl)cc1F ZINC000796088891 723620218 /nfs/dbraw/zinc/62/02/18/723620218.db2.gz KFECNYVHXYLJHU-HNNXBMFYSA-N -1 3 366.776 3.143 20 30 FGEDHM C#C[C@H](C)N(C)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000774540492 723904705 /nfs/dbraw/zinc/90/47/05/723904705.db2.gz MOMYOTMXHCCHAW-QMMMGPOBSA-N -1 3 367.630 3.038 20 30 FGEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1n[nH]c2c1CCCCC2 ZINC000789345451 725123279 /nfs/dbraw/zinc/12/32/79/725123279.db2.gz WVCJIRVVLQUMTQ-GFCCVEGCSA-N -1 3 356.813 3.293 20 30 FGEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1ccc(F)cc1Cl ZINC000811184173 725349328 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Cc1ncc(CO)c(/C=N\Cc2ccc(OCC(F)(F)F)cc2)c1[O-] ZINC000818213162 727301809 /nfs/dbraw/zinc/30/18/09/727301809.db2.gz FVUXHIATFFPBBC-WNFQYIGGSA-N -1 3 354.328 3.148 20 30 FGEDHM O=C(/C=C\c1ccc(-c2ccccc2Cl)s1)N[C@H]1CCN([O-])C1=O ZINC000820184643 728972829 /nfs/dbraw/zinc/97/28/29/728972829.db2.gz CDNQGCZNRPCQGP-QPBFKRLHSA-N -1 3 362.838 3.188 20 30 FGEDHM Cc1cc([O-])c(CN[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1Cl ZINC000825510234 729385994 /nfs/dbraw/zinc/38/59/94/729385994.db2.gz XVHSBHRUJIBCGE-ZFWWWQNUSA-N -1 3 365.861 3.203 20 30 FGEDHM COc1cc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1SC ZINC000826177064 729406059 /nfs/dbraw/zinc/40/60/59/729406059.db2.gz PZQAOPUXNGMMMN-VQHVLOKHSA-N -1 3 352.419 3.493 20 30 FGEDHM COc1cc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1SC ZINC000826177064 729406060 /nfs/dbraw/zinc/40/60/60/729406060.db2.gz PZQAOPUXNGMMMN-VQHVLOKHSA-N -1 3 352.419 3.493 20 30 FGEDHM C[C@@]1(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CC1(Cl)Cl ZINC000832141610 729692117 /nfs/dbraw/zinc/69/21/17/729692117.db2.gz 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Cc1nn(CCC#N)c(C)c1CCC(=O)N([O-])Cc1ccccc1Cl ZINC000904187979 743936930 /nfs/dbraw/zinc/93/69/30/743936930.db2.gz ZFOKMYWZOWDQMB-UHFFFAOYSA-N -1 3 360.845 3.418 20 30 FGEDHM CN(C)Cc1csc(C/N=C/c2cc(Br)ccc2[O-])n1 ZINC000905001212 743987362 /nfs/dbraw/zinc/98/73/62/743987362.db2.gz GCLXTLPEFFFIGP-OMCISZLKSA-N -1 3 354.273 3.292 20 30 FGEDHM C[C@H]([N-]C(=O)c1cc(F)c(F)c(F)c1F)c1noc(C(F)(F)F)n1 ZINC000910776660 757045610 /nfs/dbraw/zinc/04/56/10/757045610.db2.gz XXJRCYHLZKYHID-VKHMYHEASA-N -1 3 357.185 3.136 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CC2(Cl)Cl)c(C(F)(F)F)c1 ZINC000917876604 758280062 /nfs/dbraw/zinc/28/00/62/758280062.db2.gz MZPHQBOTHPLWBO-MRVPVSSYSA-N -1 3 373.183 3.049 20 30 FGEDHM CCCCCCC[C@H](C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000919818768 758478183 /nfs/dbraw/zinc/47/81/83/758478183.db2.gz AJFIDHZPKCDUHW-AWEZNQCLSA-N -1 3 370.515 3.490 20 30 FGEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1ccc(Br)cc1F ZINC000920383597 758546378 /nfs/dbraw/zinc/54/63/78/758546378.db2.gz LVJCJVITENTSFS-UHFFFAOYSA-N -1 3 371.231 3.042 20 30 FGEDHM C=CC1(CC(=O)Nc2cccc([O-])c2F)CN(C(=O)OC(C)(C)C)C1 ZINC000935136482 761798482 /nfs/dbraw/zinc/79/84/82/761798482.db2.gz BKSIRAVVXCDRQR-UHFFFAOYSA-N -1 3 350.390 3.283 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCc2c1cccc2Cl ZINC000055712148 257348063 /nfs/dbraw/zinc/34/80/63/257348063.db2.gz TYYASUDZLZZVEO-GOSISDBHSA-N -1 3 369.852 3.253 20 30 FGEDHM CO[C@@H](c1ccccc1Cl)[C@H](C)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000576712356 505576590 /nfs/dbraw/zinc/57/65/90/505576590.db2.gz KUBORWRIGFYSJU-SWLSCSKDSA-N -1 3 356.875 3.029 20 30 FGEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000571134034 505660861 /nfs/dbraw/zinc/66/08/61/505660861.db2.gz YSMUXGSQGWZAEZ-LBPRGKRZSA-N -1 3 352.765 3.329 20 30 FGEDHM N#Cc1ccc(CCC(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)cc1 ZINC000081731062 493948019 /nfs/dbraw/zinc/94/80/19/493948019.db2.gz KYEBAUDOOCGHBK-UHFFFAOYSA-N -1 3 353.332 3.193 20 30 FGEDHM N#Cc1ccc(CCC(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)cc1 ZINC000081731062 493948024 /nfs/dbraw/zinc/94/80/24/493948024.db2.gz KYEBAUDOOCGHBK-UHFFFAOYSA-N -1 3 353.332 3.193 20 30 FGEDHM N#Cc1ccc(CCC(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cc1 ZINC000081731062 493948029 /nfs/dbraw/zinc/94/80/29/493948029.db2.gz KYEBAUDOOCGHBK-UHFFFAOYSA-N -1 3 353.332 3.193 20 30 FGEDHM COc1ccccc1-c1nc(NC(=O)[C@@H]2Cc3cc(F)ccc3O2)n[n-]1 ZINC000076961135 493998205 /nfs/dbraw/zinc/99/82/05/493998205.db2.gz UGQVZXYTJMTOKY-HNNXBMFYSA-N -1 3 354.341 3.211 20 30 FGEDHM N#CCCCC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000070940760 494072213 /nfs/dbraw/zinc/07/22/13/494072213.db2.gz YDGLBUGKLCIQID-UHFFFAOYSA-N -1 3 351.653 3.075 20 30 FGEDHM CSc1cc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)ccc1NC(C)=O ZINC000053528228 494143074 /nfs/dbraw/zinc/14/30/74/494143074.db2.gz OLCBGJIYVNKMKL-UHFFFAOYSA-N -1 3 368.422 3.183 20 30 FGEDHM CSc1cc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)ccc1NC(C)=O ZINC000053528228 494143077 /nfs/dbraw/zinc/14/30/77/494143077.db2.gz OLCBGJIYVNKMKL-UHFFFAOYSA-N -1 3 368.422 3.183 20 30 FGEDHM CSc1cc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)ccc1NC(C)=O ZINC000053528228 494143080 /nfs/dbraw/zinc/14/30/80/494143080.db2.gz OLCBGJIYVNKMKL-UHFFFAOYSA-N -1 3 368.422 3.183 20 30 FGEDHM N#CC(=C([O-])c1cccc(C(N)=O)c1)c1nc2ccccc2n1C(F)F ZINC000041556912 494168609 /nfs/dbraw/zinc/16/86/09/494168609.db2.gz MNYKEGCTTZHZJO-GFCCVEGCSA-N -1 3 354.316 3.020 20 30 FGEDHM Cc1ncc(CO)c(/C=N/[C@H](CC(=O)OC(C)C)c2ccccc2)c1[O-] ZINC000016937070 494403772 /nfs/dbraw/zinc/40/37/72/494403772.db2.gz ZMHNDZZDCTZTSD-NMONLQQWSA-N -1 3 356.422 3.090 20 30 FGEDHM COc1ccccc1-c1nc(NC(=O)[C@H](C)OC[C@@H]2CCCCO2)n[n-]1 ZINC000066915599 494437520 /nfs/dbraw/zinc/43/75/20/494437520.db2.gz KMZCYZCKMQXTIY-STQMWFEESA-N -1 3 360.414 3.043 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2cc(Cl)ccc21 ZINC000046222493 494505968 /nfs/dbraw/zinc/50/59/68/494505968.db2.gz SIPVHLHPCBYBJK-UHFFFAOYSA-N -1 3 369.852 3.429 20 30 FGEDHM CSCCc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000067856417 494667097 /nfs/dbraw/zinc/66/70/97/494667097.db2.gz LIIBRXASZCMUGC-UHFFFAOYSA-N -1 3 369.490 3.340 20 30 FGEDHM CC(C)(C#N)c1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000025439812 494741136 /nfs/dbraw/zinc/74/11/36/494741136.db2.gz CBVQGQDOZSBLIF-UHFFFAOYSA-N -1 3 357.435 3.112 20 30 FGEDHM C=CCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3[O-])cc2C1=O ZINC000109091771 494830886 /nfs/dbraw/zinc/83/08/86/494830886.db2.gz ITRFIUYAJINQKZ-UHFFFAOYSA-N -1 3 356.765 3.080 20 30 FGEDHM N#CC1([N-]S(=O)(=O)c2ccc(Br)c(F)c2)CCCCC1 ZINC000132309128 494855286 /nfs/dbraw/zinc/85/52/86/494855286.db2.gz OZPRESYRPSZGLH-UHFFFAOYSA-N -1 3 361.236 3.093 20 30 FGEDHM COc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nc3c(cc2C#N)CCCC3)c1 ZINC000122068212 494918532 /nfs/dbraw/zinc/91/85/32/494918532.db2.gz CKXRDVLENJGSEA-UHFFFAOYSA-N -1 3 352.350 3.001 20 30 FGEDHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1C#N)c1cccc(Cl)c1 ZINC000123511274 495143926 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FGEDHM Cc1csc([C@@H]([N-]S(=O)(=O)Cc2ccc(CC#N)cc2)C2CC2)n1 ZINC000563621028 505194888 /nfs/dbraw/zinc/19/48/88/505194888.db2.gz RKNUEZKCTHSLGW-INIZCTEOSA-N -1 3 361.492 3.088 20 30 FGEDHM N#CCCCC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000551500188 505238260 /nfs/dbraw/zinc/23/82/60/505238260.db2.gz KSWGSHZAYYTQGG-UHFFFAOYSA-N -1 3 351.653 3.075 20 30 FGEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C#N)c1)c1cccc(Cl)c1 ZINC000564101252 505326677 /nfs/dbraw/zinc/32/66/77/505326677.db2.gz DNKJTCKSKUGMKB-MRXNPFEDSA-N -1 3 368.817 3.017 20 30 FGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1nc2c(s1)CCC2 ZINC000567095557 505362510 /nfs/dbraw/zinc/36/25/10/505362510.db2.gz DVSLXDGHJPQXTR-VIFPVBQESA-N -1 3 367.883 3.196 20 30 FGEDHM C=C[C@H]1CCCCN1C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000555637646 505482115 /nfs/dbraw/zinc/48/21/15/505482115.db2.gz IZCNFQXRZKJXIW-LBPRGKRZSA-N -1 3 361.239 3.471 20 30 FGEDHM C[C@@H]1CC(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@H](C)O1 ZINC000558786293 505491981 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FGEDHM CCC(F)(F)C(C)(C)CNC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000600396243 506936928 /nfs/dbraw/zinc/93/69/28/506936928.db2.gz YXCRPPPJAGUUAP-UHFFFAOYSA-N -1 3 353.413 3.396 20 30 FGEDHM COc1cc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)ccc1[N+](=O)[O-] ZINC000609831239 507017216 /nfs/dbraw/zinc/01/72/16/507017216.db2.gz MNKXKEOIBVABRR-GFCCVEGCSA-N -1 3 350.334 3.278 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000610080940 507092954 /nfs/dbraw/zinc/09/29/54/507092954.db2.gz ZSQMGOPCGASYFV-UHFFFAOYSA-N -1 3 372.343 3.237 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc3c(s2)CCCC3)c(F)c1 ZINC000610083374 507094002 /nfs/dbraw/zinc/09/40/02/507094002.db2.gz AFLSLEKFHKGXPO-UHFFFAOYSA-N -1 3 350.440 3.116 20 30 FGEDHM N#CCCCC[C@@H](N)C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC000594467059 507144820 /nfs/dbraw/zinc/14/48/20/507144820.db2.gz FLKWIMVOMJSQMR-SNVBAGLBSA-N -1 3 360.639 3.158 20 30 FGEDHM N#CC1(c2ccc(CN[C@]3(C(=O)[O-])CCc4c3cccc4F)cc2)CC1 ZINC000594691074 507239963 /nfs/dbraw/zinc/23/99/63/507239963.db2.gz PQUXVEIJAACHNZ-OAQYLSRUSA-N -1 3 350.393 3.397 20 30 FGEDHM CSc1ccc([O-])c(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1 ZINC000598248030 507342138 /nfs/dbraw/zinc/34/21/38/507342138.db2.gz DHYUIHNDHNCRPN-UHFFFAOYSA-N -1 3 368.458 3.421 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@H]2Cc3ccc(F)cc32)no1 ZINC000601394749 507355949 /nfs/dbraw/zinc/35/59/49/507355949.db2.gz XULREKXPQSKLBH-INIZCTEOSA-N -1 3 364.380 3.271 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCCn2nccc21 ZINC000601539407 507382990 /nfs/dbraw/zinc/38/29/90/507382990.db2.gz KNMBQVKBGGGCQV-CQSZACIVSA-N -1 3 372.475 3.091 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)c(C(F)(F)F)c1 ZINC000610785336 507390002 /nfs/dbraw/zinc/39/00/02/507390002.db2.gz KCLFNFCWZRPWHP-SECBINFHSA-N -1 3 354.300 3.043 20 30 FGEDHM CCC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000611018857 507484691 /nfs/dbraw/zinc/48/46/91/507484691.db2.gz XVSDELXKHRUCGP-OCCSQVGLSA-N -1 3 351.428 3.104 20 30 FGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1COc2c1cccc2Cl ZINC000611026270 507486292 /nfs/dbraw/zinc/48/62/92/507486292.db2.gz TUSMUNOOWYPXMP-ZDUSSCGKSA-N -1 3 369.229 3.277 20 30 FGEDHM CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N)[C@H]1CCCCO1 ZINC000611025897 507487145 /nfs/dbraw/zinc/48/71/45/507487145.db2.gz FWNXPBMZLMOZCN-OAHLLOKOSA-N -1 3 356.875 3.085 20 30 FGEDHM C[C@@H](C#N)CN(C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1)C1CC1 ZINC000611087109 507511402 /nfs/dbraw/zinc/51/14/02/507511402.db2.gz XTVXERFLFZZUCT-JTQLQIEISA-N -1 3 374.238 3.055 20 30 FGEDHM CCOC(=O)c1nc(C2CCN([C@@H](C#N)c3ccc(Cl)cc3)CC2)n[n-]1 ZINC000595467786 507513506 /nfs/dbraw/zinc/51/35/06/507513506.db2.gz XKENKICIKAZNOK-HNNXBMFYSA-N -1 3 373.844 3.079 20 30 FGEDHM CCOC(=O)c1nnc(C2CCN([C@@H](C#N)c3ccc(Cl)cc3)CC2)[n-]1 ZINC000595467786 507513511 /nfs/dbraw/zinc/51/35/11/507513511.db2.gz XKENKICIKAZNOK-HNNXBMFYSA-N -1 3 373.844 3.079 20 30 FGEDHM CCOC(=O)c1n[n-]c(C2CCN([C@@H](C#N)c3ccc(Cl)cc3)CC2)n1 ZINC000595467786 507513516 /nfs/dbraw/zinc/51/35/16/507513516.db2.gz XKENKICIKAZNOK-HNNXBMFYSA-N -1 3 373.844 3.079 20 30 FGEDHM N#Cc1ccc2c(c1)CC[C@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1F ZINC000585739450 507608663 /nfs/dbraw/zinc/60/86/63/507608663.db2.gz KZJQMQBJYQHSPQ-OAHLLOKOSA-N -1 3 350.802 3.317 20 30 FGEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3cnc(C(C)C)s3)sc2C1 ZINC000598887985 507664194 /nfs/dbraw/zinc/66/41/94/507664194.db2.gz FLNHMYHZGKQPGR-UHFFFAOYSA-N -1 3 374.491 3.357 20 30 FGEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3oc(C(C)C)nc3C)sc2C1 ZINC000598890087 507665209 /nfs/dbraw/zinc/66/52/09/507665209.db2.gz FQQUOOCRZANKIO-UHFFFAOYSA-N -1 3 372.450 3.197 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C(F)(F)F)CC[C@H]1C ZINC000611549078 507731967 /nfs/dbraw/zinc/73/19/67/507731967.db2.gz LWJRSTNUMUTXEC-ZWNOBZJWSA-N -1 3 369.387 3.398 20 30 FGEDHM c1ccc2c(c1)OC1(CCC1)CC2=NNCc1ccc(-c2nnn[n-]2)cc1 ZINC000823802195 607252426 /nfs/dbraw/zinc/25/24/26/607252426.db2.gz JHBLJLAXJNRAQG-UHFFFAOYSA-N -1 3 360.421 3.066 20 30 FGEDHM c1ccc2c(c1)OC1(CCC1)CC2=NNCc1ccc(-c2nn[n-]n2)cc1 ZINC000823802195 607252427 /nfs/dbraw/zinc/25/24/27/607252427.db2.gz JHBLJLAXJNRAQG-UHFFFAOYSA-N -1 3 360.421 3.066 20 30 FGEDHM N#Cc1cc(NC(=O)CSc2ccccc2Cl)ccc1-c1nnn[n-]1 ZINC000737708885 598919117 /nfs/dbraw/zinc/91/91/17/598919117.db2.gz JNPLLQHHGCQNPY-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1cc(NC(=O)CSc2ccccc2Cl)ccc1-c1nn[n-]n1 ZINC000737708885 598919118 /nfs/dbraw/zinc/91/91/18/598919118.db2.gz JNPLLQHHGCQNPY-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1C(F)(F)F ZINC000819772209 607253020 /nfs/dbraw/zinc/25/30/20/607253020.db2.gz ALGZIIOIVDWLOJ-UHFFFAOYSA-N -1 3 360.343 3.399 20 30 FGEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1C(F)(F)F ZINC000819772209 607253021 /nfs/dbraw/zinc/25/30/21/607253021.db2.gz ALGZIIOIVDWLOJ-UHFFFAOYSA-N -1 3 360.343 3.399 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1ccc(CC)cc1 ZINC000735420267 599072483 /nfs/dbraw/zinc/07/24/83/599072483.db2.gz NTNDGNHWQPBJOX-UHFFFAOYSA-N -1 3 361.449 3.186 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1ccc(CC)cc1 ZINC000735420267 599072485 /nfs/dbraw/zinc/07/24/85/599072485.db2.gz NTNDGNHWQPBJOX-UHFFFAOYSA-N -1 3 361.449 3.186 20 30 FGEDHM CN(C)c1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1F ZINC000821589646 599113600 /nfs/dbraw/zinc/11/36/00/599113600.db2.gz XCZMMFVSZYHQAY-ZROIWOOFSA-N -1 3 363.396 3.284 20 30 FGEDHM CN(C)c1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1F ZINC000821589646 599113603 /nfs/dbraw/zinc/11/36/03/599113603.db2.gz XCZMMFVSZYHQAY-ZROIWOOFSA-N -1 3 363.396 3.284 20 30 FGEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cc(F)c(F)c(F)c1 ZINC000823504765 599115542 /nfs/dbraw/zinc/11/55/42/599115542.db2.gz ULFPIWPJQJCYSE-WZUFQYTHSA-N -1 3 356.307 3.497 20 30 FGEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cc(F)c(F)c(F)c1 ZINC000823504765 599115544 /nfs/dbraw/zinc/11/55/44/599115544.db2.gz ULFPIWPJQJCYSE-WZUFQYTHSA-N -1 3 356.307 3.497 20 30 FGEDHM C=C(Cl)COC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735402540 599128208 /nfs/dbraw/zinc/12/82/08/599128208.db2.gz WBVSVHLWOXKEGY-UHFFFAOYSA-N -1 3 370.796 3.355 20 30 FGEDHM C=C(Cl)COC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735402540 599128211 /nfs/dbraw/zinc/12/82/11/599128211.db2.gz WBVSVHLWOXKEGY-UHFFFAOYSA-N -1 3 370.796 3.355 20 30 FGEDHM N#Cc1cc(NC(=O)c2cccc(OC3CCCC3)c2)ccc1-c1nnn[n-]1 ZINC000737709602 599200480 /nfs/dbraw/zinc/20/04/80/599200480.db2.gz PKQWUJSICDPIRY-UHFFFAOYSA-N -1 3 374.404 3.312 20 30 FGEDHM N#Cc1cc(NC(=O)c2cccc(OC3CCCC3)c2)ccc1-c1nn[n-]n1 ZINC000737709602 599200481 /nfs/dbraw/zinc/20/04/81/599200481.db2.gz PKQWUJSICDPIRY-UHFFFAOYSA-N -1 3 374.404 3.312 20 30 FGEDHM CN(Cc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736816297 598277158 /nfs/dbraw/zinc/27/71/58/598277158.db2.gz FNAPTIPEWZYSQR-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM O=C1c2cc(Br)ccc2OC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000738289653 598358272 /nfs/dbraw/zinc/35/82/72/598358272.db2.gz LBKPPEGHADJQTD-AUWJEWJLSA-N -1 3 369.178 3.245 20 30 FGEDHM O=C1c2cc(Br)ccc2OC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000738289653 598358274 /nfs/dbraw/zinc/35/82/74/598358274.db2.gz LBKPPEGHADJQTD-AUWJEWJLSA-N -1 3 369.178 3.245 20 30 FGEDHM N#CCCCOc1cccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737686712 598363813 /nfs/dbraw/zinc/36/38/13/598363813.db2.gz DAGQXLHPEKUGKO-KTKRTIGZSA-N -1 3 359.389 3.445 20 30 FGEDHM N#CCCCOc1cccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737686712 598363815 /nfs/dbraw/zinc/36/38/15/598363815.db2.gz DAGQXLHPEKUGKO-KTKRTIGZSA-N -1 3 359.389 3.445 20 30 FGEDHM O=C(C=Cc1cnn(Cc2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737809337 598429472 /nfs/dbraw/zinc/42/94/72/598429472.db2.gz VIIPMGWDYGZLSB-WDZFZDKYSA-N -1 3 356.389 3.008 20 30 FGEDHM O=C(C=Cc1cnn(Cc2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737809337 598429473 /nfs/dbraw/zinc/42/94/73/598429473.db2.gz VIIPMGWDYGZLSB-WDZFZDKYSA-N -1 3 356.389 3.008 20 30 FGEDHM COc1cc(C)c(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2)cc1OC ZINC000737039183 598546312 /nfs/dbraw/zinc/54/63/12/598546312.db2.gz AYUQYOIHRPVIAJ-TWGQIWQCSA-N -1 3 350.378 3.088 20 30 FGEDHM COc1cc(C)c(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2)cc1OC ZINC000737039183 598546314 /nfs/dbraw/zinc/54/63/14/598546314.db2.gz AYUQYOIHRPVIAJ-TWGQIWQCSA-N -1 3 350.378 3.088 20 30 FGEDHM C=CCOc1ccccc1CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000735436504 598728999 /nfs/dbraw/zinc/72/89/99/598728999.db2.gz LQNPXLOEDCEWQM-UHFFFAOYSA-N -1 3 364.409 3.062 20 30 FGEDHM C=CCOc1ccccc1CNC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000735436504 598729000 /nfs/dbraw/zinc/72/90/00/598729000.db2.gz LQNPXLOEDCEWQM-UHFFFAOYSA-N -1 3 364.409 3.062 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000735426242 598759893 /nfs/dbraw/zinc/75/98/93/598759893.db2.gz MSVZDZGHIXWZEM-UHFFFAOYSA-N -1 3 368.372 3.102 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000735426242 598759896 /nfs/dbraw/zinc/75/98/96/598759896.db2.gz MSVZDZGHIXWZEM-UHFFFAOYSA-N -1 3 368.372 3.102 20 30 FGEDHM Cc1ccc2ncc(C=C3CCc4cc(-c5nnn[n-]5)ccc4C3=O)n2c1 ZINC000822280688 607368192 /nfs/dbraw/zinc/36/81/92/607368192.db2.gz WBRJOVGPOKMSBY-ZROIWOOFSA-N -1 3 356.389 3.035 20 30 FGEDHM Cc1ccc2ncc(C=C3CCc4cc(-c5nn[n-]n5)ccc4C3=O)n2c1 ZINC000822280688 607368194 /nfs/dbraw/zinc/36/81/94/607368194.db2.gz WBRJOVGPOKMSBY-ZROIWOOFSA-N -1 3 356.389 3.035 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(Cl)s1 ZINC000737806511 599459295 /nfs/dbraw/zinc/45/92/95/599459295.db2.gz MDRPSADHSZNFSR-IHWYPQMZSA-N -1 3 356.798 3.125 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(Cl)s1 ZINC000737806511 599459296 /nfs/dbraw/zinc/45/92/96/599459296.db2.gz MDRPSADHSZNFSR-IHWYPQMZSA-N -1 3 356.798 3.125 20 30 FGEDHM C=CCCCN(C)C(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000735413727 599469903 /nfs/dbraw/zinc/46/99/03/599469903.db2.gz YSXGHAFNYAQMGL-UHFFFAOYSA-N -1 3 364.453 3.312 20 30 FGEDHM CC[C@@](C)(C#N)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736314856 599567144 /nfs/dbraw/zinc/56/71/44/599567144.db2.gz UUVANDPWTPQMON-IBGZPJMESA-N -1 3 361.409 3.032 20 30 FGEDHM C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820254530 599631184 /nfs/dbraw/zinc/63/11/84/599631184.db2.gz QRXOQFBOOGMHSG-GFCCVEGCSA-N -1 3 364.384 3.085 20 30 FGEDHM C[C@H](CCc1cccc(F)c1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820254530 599631185 /nfs/dbraw/zinc/63/11/85/599631185.db2.gz QRXOQFBOOGMHSG-GFCCVEGCSA-N -1 3 364.384 3.085 20 30 FGEDHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820939113 599631945 /nfs/dbraw/zinc/63/19/45/599631945.db2.gz QSNBQKSPTMGBCJ-VMGRFDJRSA-N -1 3 368.441 3.051 20 30 FGEDHM CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820939113 599631946 /nfs/dbraw/zinc/63/19/46/599631946.db2.gz QSNBQKSPTMGBCJ-VMGRFDJRSA-N -1 3 368.441 3.051 20 30 FGEDHM CC(C)[C@@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000736360564 599884430 /nfs/dbraw/zinc/88/44/30/599884430.db2.gz PZTIQWGZBWMIGL-JOYOIKCWSA-N -1 3 351.815 3.418 20 30 FGEDHM N#CCC[C@@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000826381440 607429352 /nfs/dbraw/zinc/42/93/52/607429352.db2.gz LXYNKHFQGVPZLG-MENFKHAKSA-N -1 3 358.405 3.041 20 30 FGEDHM N#CCC[C@@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000826381440 607429353 /nfs/dbraw/zinc/42/93/53/607429353.db2.gz LXYNKHFQGVPZLG-MENFKHAKSA-N -1 3 358.405 3.041 20 30 FGEDHM N#CCOc1ccc(CN(CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000739087783 600328570 /nfs/dbraw/zinc/32/85/70/600328570.db2.gz MNXMOROBWQJWBS-UHFFFAOYSA-N -1 3 360.360 3.344 20 30 FGEDHM CC[C@@H](C#N)Oc1cc(CN[C@H](C(=O)[O-])c2ccccc2)ccc1OC ZINC000736847955 600437468 /nfs/dbraw/zinc/43/74/68/600437468.db2.gz ICJTUWNNRJAKJR-LPHOPBHVSA-N -1 3 354.406 3.292 20 30 FGEDHM C=CCN(CC(=O)Nc1oc(C)c(C)c1-c1nnn[n-]1)CC1CCCCC1 ZINC000819740308 607450521 /nfs/dbraw/zinc/45/05/21/607450521.db2.gz XNNIDSXNYBFHIV-UHFFFAOYSA-N -1 3 372.473 3.083 20 30 FGEDHM CCCC(=O)Nc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736952339 600593748 /nfs/dbraw/zinc/59/37/48/600593748.db2.gz NNDZEFSJKILVSG-IBGZPJMESA-N -1 3 351.406 3.212 20 30 FGEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1[N+](=O)[O-] ZINC000822224907 607456634 /nfs/dbraw/zinc/45/66/34/607456634.db2.gz FRRPGMRSFHCPEE-SREVYHEPSA-N -1 3 353.313 3.119 20 30 FGEDHM Cc1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1[N+](=O)[O-] ZINC000822224907 607456635 /nfs/dbraw/zinc/45/66/35/607456635.db2.gz FRRPGMRSFHCPEE-SREVYHEPSA-N -1 3 353.313 3.119 20 30 FGEDHM CN(Cc1cccc(C#N)c1)c1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC000821613321 607496596 /nfs/dbraw/zinc/49/65/96/607496596.db2.gz IDHHKJREAMAROL-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM CN(Cc1cccc(C#N)c1)c1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC000821613321 607496598 /nfs/dbraw/zinc/49/65/98/607496598.db2.gz IDHHKJREAMAROL-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM CN(C(=O)OC(C)(C)C)[C@H]1CCCN([C@H](C(=O)[O-])c2cccc(C#N)c2)C1 ZINC000830518957 601313485 /nfs/dbraw/zinc/31/34/85/601313485.db2.gz KFZNPKQHMZUHIS-IRXDYDNUSA-N -1 3 373.453 3.015 20 30 FGEDHM CN(C(=O)OC(C)(C)C)C1CCN([C@H](C(=O)[O-])c2cccc(C#N)c2)CC1 ZINC000830519422 601316687 /nfs/dbraw/zinc/31/66/87/601316687.db2.gz RCLJUOGHRQMSHT-KRWDZBQOSA-N -1 3 373.453 3.015 20 30 FGEDHM CSCC[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(F)ccc2s1 ZINC000739995223 602479594 /nfs/dbraw/zinc/47/95/94/602479594.db2.gz CWVOTFCYBWNXAQ-ZJUUUORDSA-N -1 3 367.427 3.001 20 30 FGEDHM C=CCSc1nc2ccccc2n1CN1CC[C@@H](NC(=O)[O-])[C@@H](C)C1 ZINC000738502433 603394608 /nfs/dbraw/zinc/39/46/08/603394608.db2.gz DFMMIPBPPZXVJU-UONOGXRCSA-N -1 3 360.483 3.250 20 30 FGEDHM C=CCSc1nc2ccccc2n1CN1CC[C@H](NC(=O)[O-])[C@H](C)C1 ZINC000738502432 603394619 /nfs/dbraw/zinc/39/46/19/603394619.db2.gz DFMMIPBPPZXVJU-KGLIPLIRSA-N -1 3 360.483 3.250 20 30 FGEDHM Clc1ccc(CNN=Cc2cc(-c3nnn[n-]3)cs2)c(Cl)c1 ZINC000822573685 606205673 /nfs/dbraw/zinc/20/56/73/606205673.db2.gz DAXHVFOCIWTONC-UHFFFAOYSA-N -1 3 353.238 3.359 20 30 FGEDHM Clc1ccc(CNN=Cc2cc(-c3nn[n-]n3)cs2)c(Cl)c1 ZINC000822573685 606205675 /nfs/dbraw/zinc/20/56/75/606205675.db2.gz DAXHVFOCIWTONC-UHFFFAOYSA-N -1 3 353.238 3.359 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cnn1-c1ccccc1 ZINC000822015537 606389405 /nfs/dbraw/zinc/38/94/05/606389405.db2.gz MGDADUZKUPFRMT-CLFYSBASSA-N -1 3 362.418 3.318 20 30 FGEDHM C#CCN(CC)C(=O)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000819697791 606436321 /nfs/dbraw/zinc/43/63/21/606436321.db2.gz KTZSYEYZRDTISN-UHFFFAOYSA-N -1 3 362.393 3.146 20 30 FGEDHM C#CCN(CC)C(=O)Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000819697791 606436323 /nfs/dbraw/zinc/43/63/23/606436323.db2.gz KTZSYEYZRDTISN-UHFFFAOYSA-N -1 3 362.393 3.146 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000822801878 606452371 /nfs/dbraw/zinc/45/23/71/606452371.db2.gz PYSPUIYSXIYHGT-HKUYNNGSSA-N -1 3 362.412 3.278 20 30 FGEDHM N#Cc1ccc(CSc2cc(-c3nnn[n-]3)ccn2)c(OC(F)F)c1 ZINC000822825289 606591289 /nfs/dbraw/zinc/59/12/89/606591289.db2.gz AXSWKCOKIVHQCS-UHFFFAOYSA-N -1 3 360.349 3.027 20 30 FGEDHM N#Cc1ccc(CSc2cc(-c3nn[n-]n3)ccn2)c(OC(F)F)c1 ZINC000822825289 606591291 /nfs/dbraw/zinc/59/12/91/606591291.db2.gz AXSWKCOKIVHQCS-UHFFFAOYSA-N -1 3 360.349 3.027 20 30 FGEDHM N#Cc1ccnc(SCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000822842649 606591341 /nfs/dbraw/zinc/59/13/41/606591341.db2.gz RUXIGZFSUHKYTK-UHFFFAOYSA-N -1 3 360.349 3.027 20 30 FGEDHM N#Cc1ccnc(SCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000822842649 606591343 /nfs/dbraw/zinc/59/13/43/606591343.db2.gz RUXIGZFSUHKYTK-UHFFFAOYSA-N -1 3 360.349 3.027 20 30 FGEDHM C=C[C@@H](C)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819730368 606813750 /nfs/dbraw/zinc/81/37/50/606813750.db2.gz XTNBQVZVMDOUSI-GFCCVEGCSA-N -1 3 351.435 3.322 20 30 FGEDHM C=C[C@@H](C)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819730368 606813752 /nfs/dbraw/zinc/81/37/52/606813752.db2.gz XTNBQVZVMDOUSI-GFCCVEGCSA-N -1 3 351.435 3.322 20 30 FGEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1C#N ZINC000821613299 606919521 /nfs/dbraw/zinc/91/95/21/606919521.db2.gz HKCPMSNYVAYNIB-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1C#N ZINC000821613299 606919522 /nfs/dbraw/zinc/91/95/22/606919522.db2.gz HKCPMSNYVAYNIB-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM COCc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)o1 ZINC000821695401 606989523 /nfs/dbraw/zinc/98/95/23/606989523.db2.gz XFDFMNXJQXCBKX-UHFFFAOYSA-N -1 3 366.303 3.071 20 30 FGEDHM COCc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)o1 ZINC000821695401 606989524 /nfs/dbraw/zinc/98/95/24/606989524.db2.gz XFDFMNXJQXCBKX-UHFFFAOYSA-N -1 3 366.303 3.071 20 30 FGEDHM N#Cc1cc(Br)ccc1OCc1ccc(-c2nnn[n-]2)cc1 ZINC000822818823 607032267 /nfs/dbraw/zinc/03/22/67/607032267.db2.gz GQLRQBVSKRRHQY-UHFFFAOYSA-N -1 3 356.183 3.080 20 30 FGEDHM N#Cc1cc(Br)ccc1OCc1ccc(-c2nn[n-]n2)cc1 ZINC000822818823 607032268 /nfs/dbraw/zinc/03/22/68/607032268.db2.gz GQLRQBVSKRRHQY-UHFFFAOYSA-N -1 3 356.183 3.080 20 30 FGEDHM Clc1ccccc1CNN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000822585486 607146976 /nfs/dbraw/zinc/14/69/76/607146976.db2.gz AMQKKCJNJVFBNQ-UHFFFAOYSA-N -1 3 351.801 3.125 20 30 FGEDHM Clc1ccccc1CNN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000822585486 607146978 /nfs/dbraw/zinc/14/69/78/607146978.db2.gz AMQKKCJNJVFBNQ-UHFFFAOYSA-N -1 3 351.801 3.125 20 30 FGEDHM Clc1cnc(N=NCc2c[nH]c3ccc(-c4nnn[n-]4)cc23)c(Cl)c1 ZINC000822591589 607147652 /nfs/dbraw/zinc/14/76/52/607147652.db2.gz WHKQOZCNTCOOCP-UHFFFAOYSA-N -1 3 373.207 3.496 20 30 FGEDHM Clc1cnc(N=NCc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c(Cl)c1 ZINC000822591589 607147653 /nfs/dbraw/zinc/14/76/53/607147653.db2.gz WHKQOZCNTCOOCP-UHFFFAOYSA-N -1 3 373.207 3.496 20 30 FGEDHM COc1ccc(C=NOc2ccccc2C(F)(F)F)cc1-c1nnn[n-]1 ZINC000826190601 607843924 /nfs/dbraw/zinc/84/39/24/607843924.db2.gz HCGIVAQFTLZWJL-UHFFFAOYSA-N -1 3 363.299 3.307 20 30 FGEDHM COc1ccc(C=NOc2ccccc2C(F)(F)F)cc1-c1nn[n-]n1 ZINC000826190601 607843925 /nfs/dbraw/zinc/84/39/25/607843925.db2.gz HCGIVAQFTLZWJL-UHFFFAOYSA-N -1 3 363.299 3.307 20 30 FGEDHM CCN(C(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)c(Cl)c1 ZINC000825385612 607878331 /nfs/dbraw/zinc/87/83/31/607878331.db2.gz NPTQRFIHHJIORI-UHFFFAOYSA-N -1 3 352.785 3.058 20 30 FGEDHM CCN(C(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)c(Cl)c1 ZINC000825385612 607878332 /nfs/dbraw/zinc/87/83/32/607878332.db2.gz NPTQRFIHHJIORI-UHFFFAOYSA-N -1 3 352.785 3.058 20 30 FGEDHM C=C[C@@H](CC(=O)Oc1ccc(-c2nnn[n-]2)cc1OC)c1ccccc1 ZINC000823883705 607965641 /nfs/dbraw/zinc/96/56/41/607965641.db2.gz YFQPEBOHNNVRPO-ZDUSSCGKSA-N -1 3 350.378 3.141 20 30 FGEDHM C=C[C@@H](CC(=O)Oc1ccc(-c2nn[n-]n2)cc1OC)c1ccccc1 ZINC000823883705 607965642 /nfs/dbraw/zinc/96/56/42/607965642.db2.gz YFQPEBOHNNVRPO-ZDUSSCGKSA-N -1 3 350.378 3.141 20 30 FGEDHM CC(=Cc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000823942993 608004522 /nfs/dbraw/zinc/00/45/22/608004522.db2.gz MEIYLGSTVPIAGP-YRNVUSSQSA-N -1 3 364.796 3.434 20 30 FGEDHM CC(=Cc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000823942993 608004523 /nfs/dbraw/zinc/00/45/23/608004523.db2.gz MEIYLGSTVPIAGP-YRNVUSSQSA-N -1 3 364.796 3.434 20 30 FGEDHM O=C1c2ccc(Br)cc2CC1=Cc1ccccc1-c1nnn[n-]1 ZINC000826476214 608015751 /nfs/dbraw/zinc/01/57/51/608015751.db2.gz CTUKWTRQFYWQCJ-GHXNOFRVSA-N -1 3 367.206 3.452 20 30 FGEDHM O=C1c2ccc(Br)cc2CC1=Cc1ccccc1-c1nn[n-]n1 ZINC000826476214 608015752 /nfs/dbraw/zinc/01/57/52/608015752.db2.gz CTUKWTRQFYWQCJ-GHXNOFRVSA-N -1 3 367.206 3.452 20 30 FGEDHM CCCCCCCC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825272164 608085924 /nfs/dbraw/zinc/08/59/24/608085924.db2.gz XTOWPHPIRPIQKG-QGZVFWFLSA-N -1 3 357.458 3.127 20 30 FGEDHM CCCCCCCC(=O)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825272164 608085925 /nfs/dbraw/zinc/08/59/25/608085925.db2.gz XTOWPHPIRPIQKG-QGZVFWFLSA-N -1 3 357.458 3.127 20 30 FGEDHM C=CCc1ccc(OCc2ccc(-c3nnn[n-]3)cc2OC)c(OC)c1 ZINC000823936930 608323395 /nfs/dbraw/zinc/32/33/95/608323395.db2.gz 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ZINC000825749762 608534243 /nfs/dbraw/zinc/53/42/43/608534243.db2.gz HPJNJWWKECFXAP-UHFFFAOYSA-N -1 3 374.861 3.087 20 30 FGEDHM Cc1ccccc1C(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)C1CC1 ZINC000826305579 608537505 /nfs/dbraw/zinc/53/75/05/608537505.db2.gz BOGHFEVXEMNFON-UHFFFAOYSA-N -1 3 353.817 3.450 20 30 FGEDHM Cc1ccccc1C(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)C1CC1 ZINC000826305579 608537506 /nfs/dbraw/zinc/53/75/06/608537506.db2.gz BOGHFEVXEMNFON-UHFFFAOYSA-N -1 3 353.817 3.450 20 30 FGEDHM Cc1ccc(C(C)N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c(O)c1C ZINC000823953467 608539748 /nfs/dbraw/zinc/53/97/48/608539748.db2.gz BDYFQMNQZQIOQP-UHFFFAOYSA-N -1 3 357.805 3.074 20 30 FGEDHM Cc1ccc(C(C)N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(O)c1C ZINC000823953467 608539750 /nfs/dbraw/zinc/53/97/50/608539750.db2.gz BDYFQMNQZQIOQP-UHFFFAOYSA-N -1 3 357.805 3.074 20 30 FGEDHM C=CCN(Cc1cn(C)nc1C(C)(C)C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914968 608582112 /nfs/dbraw/zinc/58/21/12/608582112.db2.gz QFVOYLIQWAOOLL-UHFFFAOYSA-N -1 3 365.485 3.086 20 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CCOC(=O)C(C)(C)O[N-]C(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000296682755 498151434 /nfs/dbraw/zinc/15/14/34/498151434.db2.gz PUDIOTQNBJKKND-GFCCVEGCSA-N -1 3 365.455 3.333 20 30 FGEDHM O=C([N-]C[C@@H]1CCCN(CC#Cc2cccc(Cl)c2)C1)C(F)(F)F ZINC000289621614 498220776 /nfs/dbraw/zinc/22/07/76/498220776.db2.gz ZBQJYGCPMTYDNK-AWEZNQCLSA-N -1 3 358.791 3.082 20 30 FGEDHM Cn1cc(C=Cc2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)cc1C#N ZINC000365058362 498277137 /nfs/dbraw/zinc/27/71/37/498277137.db2.gz JBVZGHMXIXRXPG-BQYQJAHWSA-N -1 3 371.444 3.121 20 30 FGEDHM C=CCC(F)(F)C(=O)[N-]Cc1csc(NC(=O)C(F)(F)CC=C)n1 ZINC000293728629 498468703 /nfs/dbraw/zinc/46/87/03/498468703.db2.gz MVMNDCZUNILGJL-UHFFFAOYSA-N -1 3 365.352 3.121 20 30 FGEDHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]CC2CCC(C#N)CC2)c1 ZINC000282663932 498601996 /nfs/dbraw/zinc/60/19/96/498601996.db2.gz VNWWJKXXIMPPLX-UHFFFAOYSA-N -1 3 354.859 3.151 20 30 FGEDHM Cn1cnc(C(=O)[N-]c2cc(C(F)(F)F)ccc2SCCC#N)n1 ZINC000290719996 498657643 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O=C(CC1CCCC1)NC1CCN(C(=O)c2cc(F)cc3n[n-]nc32)CC1 ZINC000328660836 498894049 /nfs/dbraw/zinc/89/40/49/498894049.db2.gz WBOWDHIFWJYWRR-UHFFFAOYSA-N -1 3 373.432 3.238 20 30 FGEDHM CCOc1ccc(C(=O)C(C(=S)[N-]C2(C)CC2)[n+]2cccc([O-])c2)cc1 ZINC000284092347 499047158 /nfs/dbraw/zinc/04/71/58/499047158.db2.gz KXLBEAJLRCGWNS-UHFFFAOYSA-O -1 3 371.482 3.159 20 30 FGEDHM C[C@]1(C[C@H]2CCCN2C(=O)Nc2cnc3c(c2)CCCC3)NC(=O)[N-]C1=O ZINC000329240127 499081269 /nfs/dbraw/zinc/08/12/69/499081269.db2.gz MLIGXFMMQGNHCK-AUUYWEPGSA-N -1 3 371.441 3.003 20 30 FGEDHM C[C@@H]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000329250271 499084164 /nfs/dbraw/zinc/08/41/64/499084164.db2.gz UFNPUEJXZJPPDQ-UHQDVWGKSA-N -1 3 350.463 3.224 20 30 FGEDHM C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)[C@H](C)C1 ZINC000329299724 499093420 /nfs/dbraw/zinc/09/34/20/499093420.db2.gz VFHSUNMBAMAUQQ-OSHGBCRDSA-N -1 3 350.463 3.222 20 30 FGEDHM CSc1ccc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c([O-])c1 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CCOC(=O)c1sc([N-]C(=O)c2ncc(C)cc2OC)c(C#N)c1C ZINC000617129872 568219488 /nfs/dbraw/zinc/21/94/88/568219488.db2.gz BNQMJJNJXGHVLU-UHFFFAOYSA-N -1 3 359.407 3.069 20 30 FGEDHM N#Cc1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccc1-c1nnn[n-]1 ZINC000737708203 598917003 /nfs/dbraw/zinc/91/70/03/598917003.db2.gz DKEKBEIFCMSYBK-UHFFFAOYSA-N -1 3 373.203 3.226 20 30 FGEDHM N#Cc1cc(NC(=O)Cc2c(Cl)cccc2Cl)ccc1-c1nn[n-]n1 ZINC000737708203 598917006 /nfs/dbraw/zinc/91/70/06/598917006.db2.gz DKEKBEIFCMSYBK-UHFFFAOYSA-N -1 3 373.203 3.226 20 30 FGEDHM C[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000735978799 598922135 /nfs/dbraw/zinc/92/21/35/598922135.db2.gz ZRYDAGWVMDWAPE-NSHDSACASA-N -1 3 350.357 3.010 20 30 FGEDHM C[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000735978799 598922138 /nfs/dbraw/zinc/92/21/38/598922138.db2.gz ZRYDAGWVMDWAPE-NSHDSACASA-N -1 3 350.357 3.010 20 30 FGEDHM N#Cc1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1-c1nnn[n-]1 ZINC000737716406 598923398 /nfs/dbraw/zinc/92/33/98/598923398.db2.gz QODREZFPYDCFEM-GXSJLCMTSA-N -1 3 364.331 3.046 20 30 FGEDHM N#Cc1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1-c1nn[n-]n1 ZINC000737716406 598923400 /nfs/dbraw/zinc/92/34/00/598923400.db2.gz QODREZFPYDCFEM-GXSJLCMTSA-N -1 3 364.331 3.046 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc2cc[nH]c21 ZINC000819745524 599145325 /nfs/dbraw/zinc/14/53/25/599145325.db2.gz HMEJOFYIKHRCFK-UHFFFAOYSA-N -1 3 358.405 3.176 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc2cc[nH]c21 ZINC000819745524 599145327 /nfs/dbraw/zinc/14/53/27/599145327.db2.gz HMEJOFYIKHRCFK-UHFFFAOYSA-N -1 3 358.405 3.176 20 30 FGEDHM COc1ccc(C=C2Oc3ccc(Cl)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737081107 599155335 /nfs/dbraw/zinc/15/53/35/599155335.db2.gz BNGYCSDMPJSIEM-CHHVJCJISA-N -1 3 354.753 3.145 20 30 FGEDHM COc1ccc(C=C2Oc3ccc(Cl)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737081107 599155338 /nfs/dbraw/zinc/15/53/38/599155338.db2.gz BNGYCSDMPJSIEM-CHHVJCJISA-N -1 3 354.753 3.145 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(F)cc2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737204316 599157657 /nfs/dbraw/zinc/15/76/57/599157657.db2.gz ZICXPGJZZTUZFC-WCIBSUBMSA-N -1 3 374.379 3.396 20 30 FGEDHM N#CCOc1ccc(Cl)cc1CSc1ccc(-c2nnn[n-]2)cn1 ZINC000737698293 599220778 /nfs/dbraw/zinc/22/07/78/599220778.db2.gz WBJHDWWMABBOHU-UHFFFAOYSA-N -1 3 358.814 3.110 20 30 FGEDHM N#CCOc1ccc(Cl)cc1CSc1ccc(-c2nn[n-]n2)cn1 ZINC000737698293 599220781 /nfs/dbraw/zinc/22/07/81/599220781.db2.gz WBJHDWWMABBOHU-UHFFFAOYSA-N -1 3 358.814 3.110 20 30 FGEDHM N#CCOc1ccc(Cl)cc1CSc1cc(-c2nnn[n-]2)ccn1 ZINC000737697747 599222288 /nfs/dbraw/zinc/22/22/88/599222288.db2.gz MONRGNMETITQPZ-UHFFFAOYSA-N -1 3 358.814 3.110 20 30 FGEDHM N#CCOc1ccc(Cl)cc1CSc1cc(-c2nn[n-]n2)ccn1 ZINC000737697747 599222289 /nfs/dbraw/zinc/22/22/89/599222289.db2.gz MONRGNMETITQPZ-UHFFFAOYSA-N -1 3 358.814 3.110 20 30 FGEDHM C=CCN(CC=C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819739886 599288513 /nfs/dbraw/zinc/28/85/13/599288513.db2.gz JWNUAJHBVXWGRF-UHFFFAOYSA-N -1 3 352.320 3.091 20 30 FGEDHM C=CCN(CC=C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819739886 599288516 /nfs/dbraw/zinc/28/85/16/599288516.db2.gz JWNUAJHBVXWGRF-UHFFFAOYSA-N -1 3 352.320 3.091 20 30 FGEDHM C=CC1CCN(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000819730021 599291303 /nfs/dbraw/zinc/29/13/03/599291303.db2.gz PUHCOOCKDIBUFQ-UHFFFAOYSA-N -1 3 366.347 3.315 20 30 FGEDHM C=CC1CCN(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000819730021 599291304 /nfs/dbraw/zinc/29/13/04/599291304.db2.gz PUHCOOCKDIBUFQ-UHFFFAOYSA-N -1 3 366.347 3.315 20 30 FGEDHM N#CCCCOc1cccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737686878 598364236 /nfs/dbraw/zinc/36/42/36/598364236.db2.gz FGVFUYTVEWCWKC-IZZDOVSWSA-N -1 3 359.389 3.445 20 30 FGEDHM N#CCCCOc1cccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737686878 598364237 /nfs/dbraw/zinc/36/42/37/598364237.db2.gz FGVFUYTVEWCWKC-IZZDOVSWSA-N -1 3 359.389 3.445 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)C1(c2ccccc2C)CC1 ZINC000735419587 598379640 /nfs/dbraw/zinc/37/96/40/598379640.db2.gz WSPJKVUEBYQGPM-UHFFFAOYSA-N -1 3 373.460 3.422 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)C1(c2ccccc2C)CC1 ZINC000735419587 598379641 /nfs/dbraw/zinc/37/96/41/598379641.db2.gz WSPJKVUEBYQGPM-UHFFFAOYSA-N -1 3 373.460 3.422 20 30 FGEDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000737291715 598477241 /nfs/dbraw/zinc/47/72/41/598477241.db2.gz NRWPVWDIKXHXOC-UHFFFAOYSA-N -1 3 373.420 3.243 20 30 FGEDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000737291715 598477243 /nfs/dbraw/zinc/47/72/43/598477243.db2.gz NRWPVWDIKXHXOC-UHFFFAOYSA-N -1 3 373.420 3.243 20 30 FGEDHM Cc1c(C(=O)C=Cc2cccc(F)c2F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203325 598639451 /nfs/dbraw/zinc/63/94/51/598639451.db2.gz SYQZLBAWNGGDCJ-BQYQJAHWSA-N -1 3 355.348 3.097 20 30 FGEDHM Cc1c(C(=O)C=Cc2cccc(F)c2F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203325 598639453 /nfs/dbraw/zinc/63/94/53/598639453.db2.gz SYQZLBAWNGGDCJ-BQYQJAHWSA-N -1 3 355.348 3.097 20 30 FGEDHM Fc1ccc(C(F)(F)F)cc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000737650168 598820913 /nfs/dbraw/zinc/82/09/13/598820913.db2.gz NYYPJMGKXOWRSK-UHFFFAOYSA-N -1 3 350.279 3.471 20 30 FGEDHM Fc1ccc(C(F)(F)F)cc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000737650168 598820914 /nfs/dbraw/zinc/82/09/14/598820914.db2.gz NYYPJMGKXOWRSK-UHFFFAOYSA-N -1 3 350.279 3.471 20 30 FGEDHM C[C@@H](SCC(=O)Nc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736191054 599328438 /nfs/dbraw/zinc/32/84/38/599328438.db2.gz VOIKXZMSCWVBPU-GFCCVEGCSA-N -1 3 364.434 3.171 20 30 FGEDHM C[C@@H](SCC(=O)Nc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736191054 599328439 /nfs/dbraw/zinc/32/84/39/599328439.db2.gz VOIKXZMSCWVBPU-GFCCVEGCSA-N -1 3 364.434 3.171 20 30 FGEDHM CC[C@@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736393529 599518400 /nfs/dbraw/zinc/51/84/00/599518400.db2.gz ZHEAISBETGULJZ-CYBMUJFWSA-N -1 3 373.392 3.237 20 30 FGEDHM CC[C@@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736393529 599518403 /nfs/dbraw/zinc/51/84/03/599518403.db2.gz ZHEAISBETGULJZ-CYBMUJFWSA-N -1 3 373.392 3.237 20 30 FGEDHM C#C[C@@H](C)OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000819688088 599624444 /nfs/dbraw/zinc/62/44/44/599624444.db2.gz CYLAJOALPGBBKG-LLVKDONJSA-N -1 3 368.780 3.491 20 30 FGEDHM C#C[C@@H](C)OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000819688088 599624445 /nfs/dbraw/zinc/62/44/45/599624445.db2.gz CYLAJOALPGBBKG-LLVKDONJSA-N -1 3 368.780 3.491 20 30 FGEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000739105010 600572404 /nfs/dbraw/zinc/57/24/04/600572404.db2.gz IORGTFJGCVQMQW-IEBWSBKVSA-N -1 3 366.392 3.418 20 30 FGEDHM COc1ccc2c(c1)CCC(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000821849521 607456685 /nfs/dbraw/zinc/45/66/85/607456685.db2.gz LCBQMHCPGAMFMP-MDWZMJQESA-N -1 3 350.353 3.227 20 30 FGEDHM COc1ccc2c(c1)CCC(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000821849521 607456686 /nfs/dbraw/zinc/45/66/86/607456686.db2.gz LCBQMHCPGAMFMP-MDWZMJQESA-N -1 3 350.353 3.227 20 30 FGEDHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000826053138 601204882 /nfs/dbraw/zinc/20/48/82/601204882.db2.gz ILGRIAUVJXVKQK-SGTLLEGYSA-N -1 3 371.824 3.202 20 30 FGEDHM CCN(CC(=O)C(C#N)c1nc(-c2c(F)cccc2F)cs1)C(=O)[O-] ZINC000739386302 602866158 /nfs/dbraw/zinc/86/61/58/602866158.db2.gz ZGCIECNDUXLXDM-SECBINFHSA-N -1 3 365.361 3.264 20 30 FGEDHM Cc1cc(C#N)ccc1C(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C ZINC000826257063 607675463 /nfs/dbraw/zinc/67/54/63/607675463.db2.gz LWIWYHIJJSXJSL-UHFFFAOYSA-N -1 3 374.448 3.345 20 30 FGEDHM Cc1cc(C#N)ccc1C(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C ZINC000826257063 607675465 /nfs/dbraw/zinc/67/54/65/607675465.db2.gz LWIWYHIJJSXJSL-UHFFFAOYSA-N -1 3 374.448 3.345 20 30 FGEDHM C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)C1CCN(C(=O)[O-])CC1 ZINC000824549685 604387880 /nfs/dbraw/zinc/38/78/80/604387880.db2.gz BYNMLMBRASQMBK-TZMCWYRMSA-N -1 3 355.394 3.420 20 30 FGEDHM CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(CC#N)c1 ZINC000821123425 606192817 /nfs/dbraw/zinc/19/28/17/606192817.db2.gz RQFHAPKZLITOTJ-UHFFFAOYSA-N -1 3 361.409 3.007 20 30 FGEDHM N#Cc1cccc(COc2ccc(Nc3ncccc3-c3nnn[n-]3)cc2)c1 ZINC000822837164 606432940 /nfs/dbraw/zinc/43/29/40/606432940.db2.gz IALWCRCGCSXCNK-UHFFFAOYSA-N -1 3 369.388 3.456 20 30 FGEDHM N#Cc1cccc(COc2ccc(Nc3ncccc3-c3nn[n-]n3)cc2)c1 ZINC000822837164 606432942 /nfs/dbraw/zinc/43/29/42/606432942.db2.gz IALWCRCGCSXCNK-UHFFFAOYSA-N -1 3 369.388 3.456 20 30 FGEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1cc(C#N)ccc1F ZINC000820154885 606449663 /nfs/dbraw/zinc/44/96/63/606449663.db2.gz BPSUCEUITYRJKP-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1cc(C#N)ccc1F ZINC000820154885 606449665 /nfs/dbraw/zinc/44/96/65/606449665.db2.gz BPSUCEUITYRJKP-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM CCN(C(=O)c1ccc(C#N)s1)[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160948 606505050 /nfs/dbraw/zinc/50/50/50/606505050.db2.gz RWOMWEOLADQQHA-NSHDSACASA-N -1 3 352.423 3.023 20 30 FGEDHM CCN(C(=O)c1ccc(C#N)s1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160948 606505052 /nfs/dbraw/zinc/50/50/52/606505052.db2.gz RWOMWEOLADQQHA-NSHDSACASA-N -1 3 352.423 3.023 20 30 FGEDHM C=CCN(CCc1ccccc1)C(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819743520 606674942 /nfs/dbraw/zinc/67/49/42/606674942.db2.gz KWSAHJJBNUMNAN-UHFFFAOYSA-N -1 3 369.375 3.016 20 30 FGEDHM C=CCN(CCc1ccccc1)C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819743520 606674943 /nfs/dbraw/zinc/67/49/43/606674943.db2.gz KWSAHJJBNUMNAN-UHFFFAOYSA-N -1 3 369.375 3.016 20 30 FGEDHM N#Cc1cc(NC(=O)c2cncc(-c3ccccc3)c2)ccc1-c1nnn[n-]1 ZINC000822822699 606868925 /nfs/dbraw/zinc/86/89/25/606868925.db2.gz CAYMKVXQDQHLSA-UHFFFAOYSA-N -1 3 367.372 3.053 20 30 FGEDHM N#Cc1cc(NC(=O)c2cncc(-c3ccccc3)c2)ccc1-c1nn[n-]n1 ZINC000822822699 606868926 /nfs/dbraw/zinc/86/89/26/606868926.db2.gz CAYMKVXQDQHLSA-UHFFFAOYSA-N -1 3 367.372 3.053 20 30 FGEDHM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1ccc(-c2nnn[n-]2)cc1 ZINC000822818827 606890734 /nfs/dbraw/zinc/89/07/34/606890734.db2.gz GYXLGOHQOQTWJG-UHFFFAOYSA-N -1 3 373.294 3.114 20 30 FGEDHM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1ccc(-c2nn[n-]n2)cc1 ZINC000822818827 606890737 /nfs/dbraw/zinc/89/07/37/606890737.db2.gz GYXLGOHQOQTWJG-UHFFFAOYSA-N -1 3 373.294 3.114 20 30 FGEDHM N#Cc1ccc(COc2ccc(-c3nnn[n-]3)cc2F)c(OC(F)F)c1 ZINC000822825378 607139188 /nfs/dbraw/zinc/13/91/88/607139188.db2.gz COUIASGDJSTQHB-UHFFFAOYSA-N -1 3 361.283 3.058 20 30 FGEDHM N#Cc1ccc(COc2ccc(-c3nn[n-]n3)cc2F)c(OC(F)F)c1 ZINC000822825378 607139189 /nfs/dbraw/zinc/13/91/89/607139189.db2.gz COUIASGDJSTQHB-UHFFFAOYSA-N -1 3 361.283 3.058 20 30 FGEDHM CC(C)CCN(CCC#N)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000820076897 607199604 /nfs/dbraw/zinc/19/96/04/607199604.db2.gz WBNNKGOMXCMGKE-UHFFFAOYSA-N -1 3 361.837 3.314 20 30 FGEDHM CC(C)CCN(CCC#N)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000820076897 607199605 /nfs/dbraw/zinc/19/96/05/607199605.db2.gz WBNNKGOMXCMGKE-UHFFFAOYSA-N -1 3 361.837 3.314 20 30 FGEDHM N#Cc1ccc(NC(=O)c2ccc(-c3ccco3)s2)cc1-c1nnn[n-]1 ZINC000822829845 607238563 /nfs/dbraw/zinc/23/85/63/607238563.db2.gz LPVZONMAYBYIER-UHFFFAOYSA-N -1 3 362.374 3.312 20 30 FGEDHM N#Cc1ccc(NC(=O)c2ccc(-c3ccco3)s2)cc1-c1nn[n-]n1 ZINC000822829845 607238564 /nfs/dbraw/zinc/23/85/64/607238564.db2.gz LPVZONMAYBYIER-UHFFFAOYSA-N -1 3 362.374 3.312 20 30 FGEDHM C[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(F)cc1F ZINC000824384552 607785282 /nfs/dbraw/zinc/78/52/82/607785282.db2.gz DNQNZQLINOAXKI-JTQLQIEISA-N -1 3 368.347 3.149 20 30 FGEDHM C[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(F)cc1F ZINC000824384552 607785283 /nfs/dbraw/zinc/78/52/83/607785283.db2.gz DNQNZQLINOAXKI-JTQLQIEISA-N -1 3 368.347 3.149 20 30 FGEDHM N#CCC[C@H](C#N)COc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826381668 607878095 /nfs/dbraw/zinc/87/80/95/607878095.db2.gz UJCZXYFTMAGMQF-CQSZACIVSA-N -1 3 360.377 3.481 20 30 FGEDHM N#CCC[C@H](C#N)COc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826381668 607878096 /nfs/dbraw/zinc/87/80/96/607878096.db2.gz UJCZXYFTMAGMQF-CQSZACIVSA-N -1 3 360.377 3.481 20 30 FGEDHM CCCCCCCCOCC(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000825272138 607950833 /nfs/dbraw/zinc/95/08/33/607950833.db2.gz WGNUXTRSPKAXJU-UHFFFAOYSA-N -1 3 357.458 3.133 20 30 FGEDHM CCCCCCCCOCC(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000825272138 607950834 /nfs/dbraw/zinc/95/08/34/607950834.db2.gz WGNUXTRSPKAXJU-UHFFFAOYSA-N -1 3 357.458 3.133 20 30 FGEDHM C=C[C@@H](CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000823882970 607980667 /nfs/dbraw/zinc/98/06/67/607980667.db2.gz HFXGVVJYMIXSGW-ZDUSSCGKSA-N -1 3 352.369 3.409 20 30 FGEDHM C=C[C@@H](CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000823882970 607980668 /nfs/dbraw/zinc/98/06/68/607980668.db2.gz HFXGVVJYMIXSGW-ZDUSSCGKSA-N -1 3 352.369 3.409 20 30 FGEDHM COc1ccc(CSCc2cc(F)ccc2-c2nnn[n-]2)cc1C#N ZINC000826208098 607983953 /nfs/dbraw/zinc/98/39/53/607983953.db2.gz SPDBVQZAIIOMBE-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM COc1ccc(CSCc2cc(F)ccc2-c2nn[n-]n2)cc1C#N ZINC000826208098 607983954 /nfs/dbraw/zinc/98/39/54/607983954.db2.gz SPDBVQZAIIOMBE-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000823944139 608004510 /nfs/dbraw/zinc/00/45/10/608004510.db2.gz YKINPDSFLNSINB-FLIBITNWSA-N -1 3 364.796 3.434 20 30 FGEDHM CC(=Cc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000823944139 608004511 /nfs/dbraw/zinc/00/45/11/608004511.db2.gz YKINPDSFLNSINB-FLIBITNWSA-N -1 3 364.796 3.434 20 30 FGEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cnc(C)s1 ZINC000823958783 608053830 /nfs/dbraw/zinc/05/38/30/608053830.db2.gz WFFIOLNYGCSYDM-UHFFFAOYSA-N -1 3 367.360 3.487 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cnc(C)s1 ZINC000823958783 608053831 /nfs/dbraw/zinc/05/38/31/608053831.db2.gz WFFIOLNYGCSYDM-UHFFFAOYSA-N -1 3 367.360 3.487 20 30 FGEDHM N#Cc1cccnc1NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000826387345 608295502 /nfs/dbraw/zinc/29/55/02/608295502.db2.gz 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ZINC000824141060 608533557 /nfs/dbraw/zinc/53/35/57/608533557.db2.gz CANXXRBEBPGBER-UHFFFAOYSA-N -1 3 362.850 3.115 20 30 FGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1c(Cl)nc2ccccn21 ZINC000826401050 608880980 /nfs/dbraw/zinc/88/09/80/608880980.db2.gz OAPJIWIFYVEASD-ALCCZGGFSA-N -1 3 368.759 3.203 20 30 FGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1c(Cl)nc2ccccn21 ZINC000826401050 608880982 /nfs/dbraw/zinc/88/09/82/608880982.db2.gz OAPJIWIFYVEASD-ALCCZGGFSA-N -1 3 368.759 3.203 20 30 FGEDHM Cn1cc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)c(-c2ccccc2)n1 ZINC000826359343 609272293 /nfs/dbraw/zinc/27/22/93/609272293.db2.gz DAKBQEANENUIFD-CSKARUKUSA-N -1 3 374.379 3.302 20 30 FGEDHM Cn1cc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)c(-c2ccccc2)n1 ZINC000826359343 609272296 /nfs/dbraw/zinc/27/22/96/609272296.db2.gz DAKBQEANENUIFD-CSKARUKUSA-N -1 3 374.379 3.302 20 30 FGEDHM COc1ccc(C=C2CCOc3cc(F)ccc3C2=O)cc1-c1nnn[n-]1 ZINC000826190816 609371205 /nfs/dbraw/zinc/37/12/05/609371205.db2.gz NZDSLCIXIVMGPQ-XYOKQWHBSA-N -1 3 366.352 3.063 20 30 FGEDHM COc1ccc(C=C2CCOc3cc(F)ccc3C2=O)cc1-c1nn[n-]n1 ZINC000826190816 609371208 /nfs/dbraw/zinc/37/12/08/609371208.db2.gz NZDSLCIXIVMGPQ-XYOKQWHBSA-N -1 3 366.352 3.063 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccnc(Cl)c1 ZINC000823909572 609382343 /nfs/dbraw/zinc/38/23/43/609382343.db2.gz JPGPOCHYUQIUHF-UHFFFAOYSA-N -1 3 369.816 3.135 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccnc(Cl)c1 ZINC000823909572 609382346 /nfs/dbraw/zinc/38/23/46/609382346.db2.gz JPGPOCHYUQIUHF-UHFFFAOYSA-N -1 3 369.816 3.135 20 30 FGEDHM N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826380381 609434584 /nfs/dbraw/zinc/43/45/84/609434584.db2.gz YFXCZGCMTYURSM-QGZVFWFLSA-N -1 3 369.388 3.103 20 30 FGEDHM N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826380381 609434587 /nfs/dbraw/zinc/43/45/87/609434587.db2.gz YFXCZGCMTYURSM-QGZVFWFLSA-N -1 3 369.388 3.103 20 30 FGEDHM Cn1cc(C=NNc2cccc(-c3nnn[n-]3)c2)c(C2CCCCC2)n1 ZINC000826360734 609468144 /nfs/dbraw/zinc/46/81/44/609468144.db2.gz VVTDMEKVQUQSEA-UHFFFAOYSA-N -1 3 350.430 3.094 20 30 FGEDHM Cn1cc(C=NNc2cccc(-c3nn[n-]n3)c2)c(C2CCCCC2)n1 ZINC000826360734 609468145 /nfs/dbraw/zinc/46/81/45/609468145.db2.gz VVTDMEKVQUQSEA-UHFFFAOYSA-N -1 3 350.430 3.094 20 30 FGEDHM C[C@@]1(C#N)CCCN(c2c(-c3nnn[n-]3)cnc3ccc(Cl)cc32)C1 ZINC000824778799 609600242 /nfs/dbraw/zinc/60/02/42/609600242.db2.gz QQLPIKCCHWXXKE-KRWDZBQOSA-N -1 3 353.817 3.198 20 30 FGEDHM C[C@@]1(C#N)CCCN(c2c(-c3nn[n-]n3)cnc3ccc(Cl)cc32)C1 ZINC000824778799 609600245 /nfs/dbraw/zinc/60/02/45/609600245.db2.gz QQLPIKCCHWXXKE-KRWDZBQOSA-N -1 3 353.817 3.198 20 30 FGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cncc(Br)c2)cc1 ZINC000193446761 712891822 /nfs/dbraw/zinc/89/18/22/712891822.db2.gz MRHSQTHMHJACIM-HNNXBMFYSA-N -1 3 372.222 3.368 20 30 FGEDHM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(C)C ZINC000310731323 713800760 /nfs/dbraw/zinc/80/07/60/713800760.db2.gz WOGYHAHDTCYULJ-NSHDSACASA-N -1 3 350.665 3.039 20 30 FGEDHM CC(C)(C#N)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000779227499 724400769 /nfs/dbraw/zinc/40/07/69/724400769.db2.gz ORZNQZOLOYXQRW-UHFFFAOYSA-N -1 3 362.382 3.085 20 30 FGEDHM C=CCn1c(=O)[n-]nc1SCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779371897 724410347 /nfs/dbraw/zinc/41/03/47/724410347.db2.gz WASPORQEYLISED-CYBMUJFWSA-N -1 3 368.503 3.299 20 30 FGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1c(Br)cnn1C ZINC000782323763 724653327 /nfs/dbraw/zinc/65/33/27/724653327.db2.gz QNQYVJIMVHYKCK-QAZRXNLGSA-N -1 3 351.175 3.411 20 30 FGEDHM N#Cc1ccccc1OCCOC(=O)c1cccc(Br)c1[O-] ZINC000730364951 722467885 /nfs/dbraw/zinc/46/78/85/722467885.db2.gz QWAWZIMBNCMQPM-UHFFFAOYSA-N -1 3 362.179 3.262 20 30 FGEDHM CN(C(=O)COC(=O)c1cc(F)cc(Cl)c1[O-])C1(C#N)CCCCC1 ZINC000748473952 722692854 /nfs/dbraw/zinc/69/28/54/722692854.db2.gz DBFLIBXCYRDBOF-UHFFFAOYSA-N -1 3 368.792 3.026 20 30 FGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1nc2ccccc2s1 ZINC000751104476 722794458 /nfs/dbraw/zinc/79/44/58/722794458.db2.gz DNBZVSUUWLCGRO-JTQLQIEISA-N -1 3 361.423 3.347 20 30 FGEDHM CCSc1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)ccn1 ZINC000755605062 722954829 /nfs/dbraw/zinc/95/48/29/722954829.db2.gz YLRSJOVBLZNOEO-ZDUSSCGKSA-N -1 3 355.419 3.163 20 30 FGEDHM Cc1ncc(CO)c(/C=N\CCc2ccccc2OC(F)(F)F)c1[O-] ZINC000756776717 722969937 /nfs/dbraw/zinc/96/99/37/722969937.db2.gz ZIOPLTIJMXDJQB-NKVSQWTQSA-N -1 3 354.328 3.148 20 30 FGEDHM C#CCN(CC)C(=O)c1c[n-]c2c(Cl)cc(Br)cc2c1=O ZINC000760837034 723097009 /nfs/dbraw/zinc/09/70/09/723097009.db2.gz HODNMUUZVONPGB-UHFFFAOYSA-N -1 3 367.630 3.039 20 30 FGEDHM CCC(N=Nc1ccccc1S(=O)(=O)N(C)C)c1ccc([O-])c(F)c1 ZINC000793181065 723407720 /nfs/dbraw/zinc/40/77/20/723407720.db2.gz ICCJRUIGPZYCGE-UHFFFAOYSA-N -1 3 365.430 3.008 20 30 FGEDHM CC(=NNCCOCC(F)(F)F)c1cc(Br)ccc1[O-] ZINC000765594493 723526244 /nfs/dbraw/zinc/52/62/44/723526244.db2.gz VEDXZWQBMNRMBT-UHFFFAOYSA-N -1 3 355.154 3.047 20 30 FGEDHM O=C1c2cc(F)cc([N+](=O)[O-])c2OC/C1=C\c1c(F)ccc([O-])c1F ZINC000794945514 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20 30 FGEDHM CSc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811188647 725349774 /nfs/dbraw/zinc/34/97/74/725349774.db2.gz RSINTXUOJBVJGW-LLVKDONJSA-N -1 3 356.403 3.170 20 30 FGEDHM CC(=NNc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1csnn1 ZINC000814829796 727003962 /nfs/dbraw/zinc/00/39/62/727003962.db2.gz KVVGQGRXBWRWHC-UHFFFAOYSA-N -1 3 373.463 3.175 20 30 FGEDHM N#Cc1cc(Br)ccc1NCc1cc(-c2nnn[n-]2)ccc1F ZINC000826383604 729407581 /nfs/dbraw/zinc/40/75/81/729407581.db2.gz IKVKWUHOLYBESM-UHFFFAOYSA-N -1 3 373.189 3.252 20 30 FGEDHM N#Cc1cc(Br)ccc1NCc1cc(-c2nn[n-]n2)ccc1F ZINC000826383604 729407582 /nfs/dbraw/zinc/40/75/82/729407582.db2.gz IKVKWUHOLYBESM-UHFFFAOYSA-N -1 3 373.189 3.252 20 30 FGEDHM N#Cc1ccc(N2CC[C@@H](OC(=O)c3cc(Cl)c(Cl)[n-]3)C2=O)cc1 ZINC000828635189 729446051 /nfs/dbraw/zinc/44/60/51/729446051.db2.gz AIRRUAXTOBEUAL-CYBMUJFWSA-N -1 3 364.188 3.155 20 30 FGEDHM CC1([N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC(F)(F)C1 ZINC000872668968 735659369 /nfs/dbraw/zinc/65/93/69/735659369.db2.gz JXCYVIXRGXIGNQ-UHFFFAOYSA-N -1 3 354.300 3.043 20 30 FGEDHM [O-]c1ccc(Br)cc1/C=N/Cc1nc2c(s1)COCC2 ZINC000899227440 742893891 /nfs/dbraw/zinc/89/38/91/742893891.db2.gz LNGQUSKBATVPIM-OMCISZLKSA-N -1 3 353.241 3.303 20 30 FGEDHM O=C(c1cc(Br)c2nccn2c1)N([O-])Cc1ccc(F)cc1 ZINC000900095321 743063574 /nfs/dbraw/zinc/06/35/74/743063574.db2.gz YKPVPQNZFBERSD-UHFFFAOYSA-N -1 3 364.174 3.268 20 30 FGEDHM Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N([O-])Cc1ccc(F)cc1 ZINC000901372832 743261824 /nfs/dbraw/zinc/26/18/24/743261824.db2.gz NKBCPPHMNXJXPI-UHFFFAOYSA-N -1 3 359.323 3.162 20 30 FGEDHM O=C(c1ccccc1I)N([O-])Cc1ccc(F)cc1 ZINC000901379050 743263757 /nfs/dbraw/zinc/26/37/57/743263757.db2.gz PHMCGGNWPHIEGT-UHFFFAOYSA-N -1 3 371.149 3.462 20 30 FGEDHM C[C@H](C#N)CN(C(=O)c1c[n-]c(=NC(=O)OC(C)(C)C)s1)C1CC1 ZINC000907122114 744186955 /nfs/dbraw/zinc/18/69/55/744186955.db2.gz WSMQUNNGXJZYKD-SNVBAGLBSA-N -1 3 350.444 3.254 20 30 FGEDHM CN(C)C(=O)c1cccc(C/N=C\c2cc(Br)ccc2[O-])c1 ZINC000914703209 757825236 /nfs/dbraw/zinc/82/52/36/757825236.db2.gz RKIPAEZAFLSDDN-ODLFYWEKSA-N -1 3 361.239 3.476 20 30 FGEDHM COc1cc(C=NNC(=S)N[C@@H]2CCCC[C@H]2C)cc(Cl)c1[O-] ZINC000916276139 758061324 /nfs/dbraw/zinc/06/13/24/758061324.db2.gz MLAPGAGXBCFMJF-ZWNOBZJWSA-N -1 3 355.891 3.431 20 30 FGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000920383662 758546782 /nfs/dbraw/zinc/54/67/82/758546782.db2.gz IJEUMLACYVZYHJ-UHFFFAOYSA-N -1 3 372.368 3.429 20 30 FGEDHM COc1c(Cl)cc(Cl)cc1C=N[N-]S(=O)(=O)Cc1ccccc1 ZINC000921259693 758676972 /nfs/dbraw/zinc/67/69/72/758676972.db2.gz GQOTZITYYFMDSP-UHFFFAOYSA-N -1 3 373.261 3.456 20 30 FGEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000567973202 505586919 /nfs/dbraw/zinc/58/69/19/505586919.db2.gz AMQGPVMVWZVQIV-UHFFFAOYSA-N -1 3 355.246 3.386 20 30 FGEDHM Cc1ccc(C(=O)C(C(=S)[N-]C2CC2)[n+]2cc([O-])ccc2C)cc1C ZINC000063850966 494093440 /nfs/dbraw/zinc/09/34/40/494093440.db2.gz PZFZEMNVRFJJIV-UHFFFAOYSA-O -1 3 355.483 3.296 20 30 FGEDHM O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc(=O)c2ccccc2[n-]1 ZINC000053267774 494111564 /nfs/dbraw/zinc/11/15/64/494111564.db2.gz WOJCZMRUPIFTGD-UHFFFAOYSA-N -1 3 370.330 3.328 20 30 FGEDHM CC(C)C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1 ZINC000053526861 494143091 /nfs/dbraw/zinc/14/30/91/494143091.db2.gz JJDZDSAYSOJFKN-UHFFFAOYSA-N -1 3 350.382 3.098 20 30 FGEDHM CC(C)C(=O)Nc1ccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1 ZINC000053526861 494143094 /nfs/dbraw/zinc/14/30/94/494143094.db2.gz JJDZDSAYSOJFKN-UHFFFAOYSA-N -1 3 350.382 3.098 20 30 FGEDHM CC(C)C(=O)Nc1ccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1 ZINC000053526861 494143096 /nfs/dbraw/zinc/14/30/96/494143096.db2.gz JJDZDSAYSOJFKN-UHFFFAOYSA-N -1 3 350.382 3.098 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](c2ccsc2)C[C@@H]1C ZINC000078199856 494255692 /nfs/dbraw/zinc/25/56/92/494255692.db2.gz ULTYPXJHJSMPNC-LRDDRELGSA-N -1 3 369.490 3.262 20 30 FGEDHM O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000043997227 494333887 /nfs/dbraw/zinc/33/38/87/494333887.db2.gz MOUBQJJWQZIYPN-VIFPVBQESA-N -1 3 353.304 3.003 20 30 FGEDHM O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000043997227 494333891 /nfs/dbraw/zinc/33/38/91/494333891.db2.gz MOUBQJJWQZIYPN-VIFPVBQESA-N -1 3 353.304 3.003 20 30 FGEDHM C=CCOc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2[O-])c1 ZINC000055724739 494396167 /nfs/dbraw/zinc/39/61/67/494396167.db2.gz FHCFYODYDSMUJH-GOSISDBHSA-N -1 3 366.417 3.200 20 30 FGEDHM Cc1cccc([C@H]2CCCN2C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000056001167 494440996 /nfs/dbraw/zinc/44/09/96/494440996.db2.gz XWSQTNKSODVUTH-HXUWFJFHSA-N -1 3 363.461 3.468 20 30 FGEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)nnn1-c1ccc2ncccc2c1 ZINC000067001586 494452942 /nfs/dbraw/zinc/45/29/42/494452942.db2.gz CFGOOYFRYLVEET-MRXNPFEDSA-N -1 3 354.373 3.009 20 30 FGEDHM Cc1[nH]c(C(=O)Nc2nnc(-c3ccccn3)[n-]2)c(C)c1C(=O)OC(C)C ZINC000047343134 494685958 /nfs/dbraw/zinc/68/59/58/494685958.db2.gz ADUFXQYSHLBMOA-UHFFFAOYSA-N -1 3 368.397 3.013 20 30 FGEDHM Cc1[nH]c(C(=O)Nc2nc(-c3ccccn3)n[n-]2)c(C)c1C(=O)OC(C)C ZINC000047343134 494685965 /nfs/dbraw/zinc/68/59/65/494685965.db2.gz ADUFXQYSHLBMOA-UHFFFAOYSA-N -1 3 368.397 3.013 20 30 FGEDHM Cc1[nH]c(C(=O)Nc2n[n-]c(-c3ccccn3)n2)c(C)c1C(=O)OC(C)C ZINC000047343134 494685974 /nfs/dbraw/zinc/68/59/74/494685974.db2.gz ADUFXQYSHLBMOA-UHFFFAOYSA-N -1 3 368.397 3.013 20 30 FGEDHM N#Cc1cccc(CS(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)c1 ZINC000108400437 494699474 /nfs/dbraw/zinc/69/94/74/494699474.db2.gz XLBPJSYYASRMNI-QGZVFWFLSA-N -1 3 369.471 3.224 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 ZINC000075390590 494754661 /nfs/dbraw/zinc/75/46/61/494754661.db2.gz INTZIMHFTILJOH-UGSOOPFHSA-N -1 3 367.449 3.389 20 30 FGEDHM C=CCn1c(Cc2ccccc2)nnc1SCc1cc(=O)c([O-])co1 ZINC000126846827 494848944 /nfs/dbraw/zinc/84/89/44/494848944.db2.gz PCNDKAMFMWYBEC-UHFFFAOYSA-N -1 3 355.419 3.006 20 30 FGEDHM C[C@H]([N-]S(=O)(=O)c1ccccc1C#N)c1ncc(-c2ccccc2)o1 ZINC000120426035 495374541 /nfs/dbraw/zinc/37/45/41/495374541.db2.gz LTCABQHVKOAZHH-ZDUSSCGKSA-N -1 3 353.403 3.253 20 30 FGEDHM CC[C@H]([N-]S(=O)(=O)c1cc(C#N)ccc1Cl)c1c(C)noc1C ZINC000185523673 495609923 /nfs/dbraw/zinc/60/99/23/495609923.db2.gz RJLHTFDRKRRBSK-ZDUSSCGKSA-N -1 3 353.831 3.246 20 30 FGEDHM Cc1nnc(-c2ccccc2C([O-])=C(C#N)c2nc3ccccc3n2C)o1 ZINC000182561812 495615419 /nfs/dbraw/zinc/61/54/19/495615419.db2.gz YVEMBSNLGZCQGE-OAHLLOKOSA-N -1 3 357.373 3.422 20 30 FGEDHM C#CCOc1ccc([C@@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000182734609 495681583 /nfs/dbraw/zinc/68/15/83/495681583.db2.gz DIIJRALBQFNBCR-CQSZACIVSA-N -1 3 374.462 3.252 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCO[C@H]2c2ccccc2)c(F)c1 ZINC000151103890 495739038 /nfs/dbraw/zinc/73/90/38/495739038.db2.gz LMOWEVBCMLVLGM-APWZRJJASA-N -1 3 374.437 3.144 20 30 FGEDHM CCC(CC)[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)CCO1 ZINC000180335414 495956225 /nfs/dbraw/zinc/95/62/25/495956225.db2.gz UVSSNQFQEVPFEP-HOCLYGCPSA-N -1 3 370.902 3.474 20 30 FGEDHM Cc1cnc([C@@H]([N-]S(=O)(=O)c2ccc(C#N)cc2Cl)C2CC2)s1 ZINC000183746822 496101722 /nfs/dbraw/zinc/10/17/22/496101722.db2.gz FLNVOYCJRZOLLT-AWEZNQCLSA-N -1 3 367.883 3.406 20 30 FGEDHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)s1 ZINC000186728893 496125263 /nfs/dbraw/zinc/12/52/63/496125263.db2.gz YZOVEIXXVIWSLN-SECBINFHSA-N -1 3 355.872 3.059 20 30 FGEDHM COc1ccccc1[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1)c1ccco1 ZINC000152726541 496238515 /nfs/dbraw/zinc/23/85/15/496238515.db2.gz VJTGIKZHSITTRT-IBGZPJMESA-N -1 3 368.414 3.228 20 30 FGEDHM C[C@H](CC#N)N(C)C(=O)C[C@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184145733 496257572 /nfs/dbraw/zinc/25/75/72/496257572.db2.gz WRUCAJVXCJXUFM-BEFAXECRSA-N -1 3 365.433 3.014 20 30 FGEDHM C#CCCCCNC(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000184184891 496275672 /nfs/dbraw/zinc/27/56/72/496275672.db2.gz VZXPLZSSNFJCMJ-HXUWFJFHSA-N -1 3 364.445 3.173 20 30 FGEDHM Cc1ccc(NC(=O)CC#N)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000153475564 496468094 /nfs/dbraw/zinc/46/80/94/496468094.db2.gz QCJLZAGYWPCWHD-UHFFFAOYSA-N -1 3 363.826 3.301 20 30 FGEDHM N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1c1ccccc1 ZINC000157487637 496487832 /nfs/dbraw/zinc/48/78/32/496487832.db2.gz FXSLUKDMAJSSDQ-ZBFHGGJFSA-N -1 3 371.418 3.081 20 30 FGEDHM O=C([N-]CC(F)F)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000173213372 496595835 /nfs/dbraw/zinc/59/58/35/496595835.db2.gz GGPKTTBUTMKVOI-UHFFFAOYSA-N -1 3 364.192 3.044 20 30 FGEDHM C[C@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000185273921 496722064 /nfs/dbraw/zinc/72/20/64/496722064.db2.gz CNXBOMKQFCSLNL-GFCCVEGCSA-N -1 3 362.838 3.151 20 30 FGEDHM N#Cc1ccc(OC2CCN(Cc3nc4ccsc4c(=O)[n-]3)CC2)cc1 ZINC000264072343 496805457 /nfs/dbraw/zinc/80/54/57/496805457.db2.gz BNCFJRVEMCBZAM-UHFFFAOYSA-N -1 3 366.446 3.312 20 30 FGEDHM Cc1ccc([C@@H]2OCCC[C@H]2C/N=C/c2c([O-])c(C)ncc2CO)cc1 ZINC000266309507 497301652 /nfs/dbraw/zinc/30/16/52/497301652.db2.gz DREMEWJTOXGVMX-DNPICXIKSA-N -1 3 354.450 3.483 20 30 FGEDHM N#Cc1ccc(OCCNC(=O)c2cc([O-])ccc2C(F)(F)F)cc1 ZINC000193356909 497359133 /nfs/dbraw/zinc/35/91/33/497359133.db2.gz RONJJDPSYOJBDF-UHFFFAOYSA-N -1 3 350.296 3.091 20 30 FGEDHM C=CCCCNC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000279331988 497408643 /nfs/dbraw/zinc/40/86/43/497408643.db2.gz QGKRNLVDLQHJPN-UHFFFAOYSA-N -1 3 365.861 3.372 20 30 FGEDHM COc1cccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1[O-] ZINC000261371478 497408896 /nfs/dbraw/zinc/40/88/96/497408896.db2.gz MOIYKGXLOKBIMS-UHFFFAOYSA-N -1 3 366.295 3.466 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCCc3c(O)cccc32)c(Cl)c1 ZINC000190345552 497445563 /nfs/dbraw/zinc/44/55/63/497445563.db2.gz MIQRWRXOXJGMMM-HNNXBMFYSA-N -1 3 362.838 3.273 20 30 FGEDHM CSc1nc(C([O-])=C(C#N)c2cnc3ccccc3n2)c2ccccn12 ZINC000190900806 497638330 /nfs/dbraw/zinc/63/83/30/497638330.db2.gz QERHXWPISSJXJF-GFCCVEGCSA-N -1 3 359.414 3.489 20 30 FGEDHM Cc1nc(S(=O)(=O)Cc2ccc(C#N)c(F)c2)[n-]c1-c1ccccc1 ZINC000191082114 497703192 /nfs/dbraw/zinc/70/31/92/497703192.db2.gz MHKANPARZSQLRP-UHFFFAOYSA-N -1 3 355.394 3.370 20 30 FGEDHM Cc1[n-]c(S(=O)(=O)Cc2ccc(C#N)c(F)c2)nc1-c1ccccc1 ZINC000191082114 497703193 /nfs/dbraw/zinc/70/31/93/497703193.db2.gz MHKANPARZSQLRP-UHFFFAOYSA-N -1 3 355.394 3.370 20 30 FGEDHM C=CCOc1c(Br)cc(CN(C)CCC(=O)[O-])cc1OCC ZINC000263426225 497781298 /nfs/dbraw/zinc/78/12/98/497781298.db2.gz QOXYXFOWFNONHT-UHFFFAOYSA-N -1 3 372.259 3.319 20 30 FGEDHM Cc1ccc([O-])c(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000299495084 497824385 /nfs/dbraw/zinc/82/43/85/497824385.db2.gz HBXQGMFLCRKQFV-UHFFFAOYSA-N -1 3 363.417 3.063 20 30 FGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CC2(c3ccccn3)CCC2)c1 ZINC000575163855 505934090 /nfs/dbraw/zinc/93/40/90/505934090.db2.gz ZHAQDIRKVJZIMK-UHFFFAOYSA-N -1 3 361.854 3.007 20 30 FGEDHM N#CC1(CS(=O)(=O)[N-]C[C@H]2CC[C@H](c3ccccc3)O2)CCCCC1 ZINC000578465461 505946103 /nfs/dbraw/zinc/94/61/03/505946103.db2.gz LLKNSZHWPPBDMQ-QZTJIDSGSA-N -1 3 362.495 3.300 20 30 FGEDHM C=CC[C@@H](CC)[N-]S(=O)(=O)c1cc(Cl)ccc1O[C@H](C)COC ZINC000572413088 505962813 /nfs/dbraw/zinc/96/28/13/505962813.db2.gz NAUZKKJYLCNZEE-TZMCWYRMSA-N -1 3 361.891 3.387 20 30 FGEDHM Cc1ccc(C(=O)C(C(=S)[N-]C2CCC2)[n+]2cc([O-])ccc2C)s1 ZINC000292410876 498006251 /nfs/dbraw/zinc/00/62/51/498006251.db2.gz YMXHJCDLZDUHPW-UHFFFAOYSA-O -1 3 361.512 3.439 20 30 FGEDHM Cc1oc(C(=O)[N-]c2ccccc2SCCC#N)cc1S(C)(=O)=O ZINC000599395411 506441424 /nfs/dbraw/zinc/44/14/24/506441424.db2.gz JDXHDBAWSDTMKR-UHFFFAOYSA-N -1 3 364.448 3.250 20 30 FGEDHM N#CCCCn1cc(C(=O)N=c2[nH][n-]cc2Br)c2ccccc21 ZINC000576010533 506055400 /nfs/dbraw/zinc/05/54/00/506055400.db2.gz BFUQKLNSJIJDCO-UHFFFAOYSA-N -1 3 372.226 3.105 20 30 FGEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000581757753 506062023 /nfs/dbraw/zinc/06/20/23/506062023.db2.gz ZDXBMGGDFJDRGX-UHFFFAOYSA-N -1 3 355.246 3.386 20 30 FGEDHM N#CCC[C@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccccc1 ZINC000287910782 498899781 /nfs/dbraw/zinc/89/97/81/498899781.db2.gz SYHMYGKJOYIOQR-ZDUSSCGKSA-N -1 3 369.368 3.424 20 30 FGEDHM CC1(C)Cc2ccc(C(=O)N3CCC[C@@]4(CCCCO4)[C@@H]3C#N)c([O-])c2O1 ZINC000333116693 498905176 /nfs/dbraw/zinc/90/51/76/498905176.db2.gz YXPNEFRZKJUXKS-KKSFZXQISA-N -1 3 370.449 3.173 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@@H](C)Oc2ccccc21 ZINC000295511477 499039560 /nfs/dbraw/zinc/03/95/60/499039560.db2.gz PNBSMSQGAIBBDC-KZULUSFZSA-N -1 3 365.433 3.237 20 30 FGEDHM C[C@@H]1CC[C@H](NC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)[N-]C2=O)[C@@H](C)C1 ZINC000329299723 499092990 /nfs/dbraw/zinc/09/29/90/499092990.db2.gz VFHSUNMBAMAUQQ-MTVAPTMQSA-N -1 3 350.463 3.222 20 30 FGEDHM N#CC(=C([O-])c1ccc([C@@H]2CCCOC2)cc1)c1nnc2n1CCCCC2 ZINC000329518094 499128982 /nfs/dbraw/zinc/12/89/82/499128982.db2.gz POUHZTDKKWYLKC-MSOLQXFVSA-N -1 3 364.449 3.389 20 30 FGEDHM CCCc1c(NC([O-])=NO[C@H]2CCCCO2)cnn1-c1cccc(C#N)c1 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CSCC[C@](C)(C#N)[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000508100038 503430947 /nfs/dbraw/zinc/43/09/47/503430947.db2.gz ZWJMTLXPGDQEHJ-GFCCVEGCSA-N -1 3 352.403 3.019 20 30 FGEDHM Cc1nc(-c2ccc(NC(=O)N3CCC(C)(C#N)CC3)cc2)cc(=O)[n-]1 ZINC000503936355 503492960 /nfs/dbraw/zinc/49/29/60/503492960.db2.gz JQIQTMVLPWCEMW-UHFFFAOYSA-N -1 3 351.410 3.315 20 30 FGEDHM COC(=O)c1cnc(C(=O)[N-]c2sc(-c3ccccc3)cc2C#N)cn1 ZINC000504068891 503517599 /nfs/dbraw/zinc/51/75/99/503517599.db2.gz FDVJESHJOVDFSV-UHFFFAOYSA-N -1 3 364.386 3.116 20 30 FGEDHM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C#N)cc2Cl)c1 ZINC000494406244 503537305 /nfs/dbraw/zinc/53/73/05/503537305.db2.gz XOFYQTOZYDQUFD-UHFFFAOYSA-N -1 3 352.799 3.030 20 30 FGEDHM Cc1ccc([C@@H]2OCCC[C@@H]2[N-]S(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC000546769114 503872775 /nfs/dbraw/zinc/87/27/75/503872775.db2.gz OLNCZOXJUAWOAO-ROUUACIJSA-N -1 3 362.495 3.219 20 30 FGEDHM C=CCOc1ccccc1CNc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1 ZINC000518914867 504093020 /nfs/dbraw/zinc/09/30/20/504093020.db2.gz NDSGQDDMSRSIFE-UHFFFAOYSA-N -1 3 362.433 3.405 20 30 FGEDHM N#CC(=C([O-])c1cccc(OCc2cn3ccccc3n2)c1)c1ccncn1 ZINC000544815117 504268250 /nfs/dbraw/zinc/26/82/50/504268250.db2.gz XVSOAUPNBXABIA-SFHVURJKSA-N -1 3 369.384 3.193 20 30 FGEDHM C[C@H](C[N-]S(=O)(=O)CC1(C#N)CCCC1)Oc1ccccc1Cl ZINC000546063731 504695244 /nfs/dbraw/zinc/69/52/44/504695244.db2.gz QJBFEXQJNGMNPZ-CYBMUJFWSA-N -1 3 356.875 3.111 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(OC3CCCC3)cc2)c(F)c1 ZINC000560017195 504970808 /nfs/dbraw/zinc/97/08/08/504970808.db2.gz GFCTUHXKNBEXPT-UHFFFAOYSA-N -1 3 374.437 3.497 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(c2cccc(Cl)c2)C1 ZINC000556832438 504989249 /nfs/dbraw/zinc/98/92/49/504989249.db2.gz BFELQDOBTCWFIF-UHFFFAOYSA-N -1 3 369.852 3.488 20 30 FGEDHM N#Cc1ccccc1CSCCNC(=O)c1c[n-]nc1-c1ccccn1 ZINC000564391795 505405224 /nfs/dbraw/zinc/40/52/24/505405224.db2.gz LLHZKAIAVZOAHY-UHFFFAOYSA-N -1 3 363.446 3.007 20 30 FGEDHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C(F)(F)F ZINC000558682090 505462038 /nfs/dbraw/zinc/46/20/38/505462038.db2.gz DITSIHGLROMPON-UHFFFAOYSA-N -1 3 374.306 3.444 20 30 FGEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)Sc1ccccc1 ZINC000567555020 505496122 /nfs/dbraw/zinc/49/61/22/505496122.db2.gz AWYSFWIIOROLOB-LBPRGKRZSA-N -1 3 350.440 3.156 20 30 FGEDHM C[C@H]1Cc2sc([N-]C(=O)c3ccnc4c3nnn4C)c(C#N)c2[C@H](C)C1 ZINC000567859359 505568965 /nfs/dbraw/zinc/56/89/65/505568965.db2.gz RTNDHRAJKQTXIQ-NXEZZACHSA-N -1 3 366.450 3.235 20 30 FGEDHM Cc1nc(-c2ccc(NC(=O)N3CCC[C@](C)(C#N)C3)cc2)cc(=O)[n-]1 ZINC000612036908 506403513 /nfs/dbraw/zinc/40/35/13/506403513.db2.gz YCRFDXXZTBYLCO-LJQANCHMSA-N -1 3 351.410 3.315 20 30 FGEDHM CCOC(=O)c1cc(C(=O)[N-]c2scc(C)c2C#N)cc([N+](=O)[O-])c1 ZINC000589034651 506416690 /nfs/dbraw/zinc/41/66/90/506416690.db2.gz HKLVQYHTVQVBQC-UHFFFAOYSA-N -1 3 359.363 3.265 20 30 FGEDHM Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000603376714 506498112 /nfs/dbraw/zinc/49/81/12/506498112.db2.gz OKEDPMPQLCRZFJ-UHFFFAOYSA-N -1 3 353.831 3.110 20 30 FGEDHM CC(C)Oc1ccc([C@H](CNC(=O)c2cc([O-])cc(C#N)c2)N(C)C)cc1 ZINC000589522373 506577211 /nfs/dbraw/zinc/57/72/11/506577211.db2.gz SMQLAGYOVOEIBV-FQEVSTJZSA-N -1 3 367.449 3.084 20 30 FGEDHM COc1ccccc1-c1cc(=NC(=O)c2ccc(Cl)c(C#N)c2)[nH][n-]1 ZINC000612588126 506640076 /nfs/dbraw/zinc/64/00/76/506640076.db2.gz CKDPGARFGUZAOB-UHFFFAOYSA-N -1 3 352.781 3.285 20 30 FGEDHM Cc1ccccc1C1([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCC1 ZINC000593616412 506702988 /nfs/dbraw/zinc/70/29/88/506702988.db2.gz JJTADHTWFVXHAL-UHFFFAOYSA-N -1 3 371.418 3.133 20 30 FGEDHM CC[C@H](OCC[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccccc1 ZINC000593626588 506707883 /nfs/dbraw/zinc/70/78/83/506707883.db2.gz AZWVRYVZRUEJDJ-HNNXBMFYSA-N -1 3 350.465 3.066 20 30 FGEDHM COC(=O)c1ccc(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[n-]1 ZINC000590070947 506723817 /nfs/dbraw/zinc/72/38/17/506723817.db2.gz OMWNASBOGLYXMN-UHFFFAOYSA-N -1 3 362.345 3.113 20 30 FGEDHM CS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1NC(=O)CCCCC#N ZINC000594283151 507061093 /nfs/dbraw/zinc/06/10/93/507061093.db2.gz CQHCGGWKZRXDPS-UHFFFAOYSA-N -1 3 363.361 3.099 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2c(Cl)cccc2Cl)c(F)c1 ZINC000610083863 507093594 /nfs/dbraw/zinc/09/35/94/507093594.db2.gz NSCYAEJMODEYID-UHFFFAOYSA-N -1 3 359.209 3.483 20 30 FGEDHM CC(C)([N-]S(=O)(=O)c1cc(Br)cc(C#N)c1)C(C)(F)F ZINC000594579270 507194200 /nfs/dbraw/zinc/19/42/00/507194200.db2.gz NBIIXXNMBTZZSE-UHFFFAOYSA-N -1 3 367.215 3.033 20 30 FGEDHM O=C(Nc1cccc(C#Cc2cccs2)c1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000591424367 507244789 /nfs/dbraw/zinc/24/47/89/507244789.db2.gz MODUUSCESYIFOO-UHFFFAOYSA-N -1 3 372.405 3.284 20 30 FGEDHM CC(C)c1cc(C[N-]S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)on1 ZINC000610583839 507304933 /nfs/dbraw/zinc/30/49/33/507304933.db2.gz FWOLCUNGXQBYEL-UHFFFAOYSA-N -1 3 373.356 3.167 20 30 FGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2COc3c2cccc3Cl)c1 ZINC000613934371 507305923 /nfs/dbraw/zinc/30/59/23/507305923.db2.gz BCONDKVVGFBNNS-CYBMUJFWSA-N -1 3 369.229 3.277 20 30 FGEDHM N#C[C@H]1CC[C@@H](Sc2nc3c(cnn3Cc3ccccc3)c(=O)[n-]2)C1 ZINC000594924066 507315262 /nfs/dbraw/zinc/31/52/62/507315262.db2.gz MBZBTZFJPGYLKZ-UONOGXRCSA-N -1 3 351.435 3.365 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc([C@@H]2Cc3ccc(F)cc32)no1 ZINC000601394750 507355122 /nfs/dbraw/zinc/35/51/22/507355122.db2.gz XULREKXPQSKLBH-MRXNPFEDSA-N -1 3 364.380 3.271 20 30 FGEDHM N#CC1CCC(C[N-]S(=O)(=O)c2cscc2Br)CC1 ZINC000601409366 507357271 /nfs/dbraw/zinc/35/72/71/507357271.db2.gz OWLSQSDUGVPWBM-UHFFFAOYSA-N -1 3 363.302 3.119 20 30 FGEDHM Cc1c(CN2CCSCC2)cccc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000614364964 507479645 /nfs/dbraw/zinc/47/96/45/507479645.db2.gz LQDFDEALXGIKJA-UHFFFAOYSA-N -1 3 367.474 3.373 20 30 FGEDHM CCCn1c(SCc2ccc(C#N)cc2Br)n[n-]c1=O ZINC000611491526 507705615 /nfs/dbraw/zinc/70/56/15/507705615.db2.gz WMHBUWAGJSAVCP-UHFFFAOYSA-N -1 3 353.245 3.320 20 30 FGEDHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)N1CC[C@@H]2CCC[C@@H]21 ZINC000330328104 568244959 /nfs/dbraw/zinc/24/49/59/568244959.db2.gz VWSKATGPNJYSLL-LRDDRELGSA-N -1 3 371.462 3.429 20 30 FGEDHM Cc1ccc(SCCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000737368890 598926759 /nfs/dbraw/zinc/92/67/59/598926759.db2.gz NRZQLHVRHPYJRL-UHFFFAOYSA-N -1 3 364.434 3.168 20 30 FGEDHM Cc1ccc(SCCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000737368890 598926760 /nfs/dbraw/zinc/92/67/60/598926760.db2.gz NRZQLHVRHPYJRL-UHFFFAOYSA-N -1 3 364.434 3.168 20 30 FGEDHM O=C(C=Cc1ccc(OCC(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737798670 599151759 /nfs/dbraw/zinc/15/17/59/599151759.db2.gz UFGMAYAFROTYPD-KMKOMSMNSA-N -1 3 356.332 3.407 20 30 FGEDHM O=C(C=Cc1ccc(OCC(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737798670 599151761 /nfs/dbraw/zinc/15/17/61/599151761.db2.gz UFGMAYAFROTYPD-KMKOMSMNSA-N -1 3 356.332 3.407 20 30 FGEDHM C=CCCOC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735416357 599151984 /nfs/dbraw/zinc/15/19/84/599151984.db2.gz HEZJHGNEBUMPST-UHFFFAOYSA-N -1 3 350.378 3.179 20 30 FGEDHM COc1ccc(C=C2CSc3c(F)cccc3C2=O)cc1-c1nnn[n-]1 ZINC000737083924 599153679 /nfs/dbraw/zinc/15/36/79/599153679.db2.gz QIISOXIVTYMKHM-YRNVUSSQSA-N -1 3 368.393 3.386 20 30 FGEDHM COc1ccc(C=C2CSc3c(F)cccc3C2=O)cc1-c1nn[n-]n1 ZINC000737083924 599153682 /nfs/dbraw/zinc/15/36/82/599153682.db2.gz QIISOXIVTYMKHM-YRNVUSSQSA-N -1 3 368.393 3.386 20 30 FGEDHM CCCCOc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000736464239 599199675 /nfs/dbraw/zinc/19/96/75/599199675.db2.gz XBPORDWTLIDLTP-UHFFFAOYSA-N -1 3 362.393 3.170 20 30 FGEDHM CCCCOc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000736464239 599199676 /nfs/dbraw/zinc/19/96/76/599199676.db2.gz XBPORDWTLIDLTP-UHFFFAOYSA-N -1 3 362.393 3.170 20 30 FGEDHM C=CC[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000735409668 599215723 /nfs/dbraw/zinc/21/57/23/599215723.db2.gz IBTMMONWIGUIJW-GFCCVEGCSA-N -1 3 365.397 3.140 20 30 FGEDHM C=CC[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000735409668 599215726 /nfs/dbraw/zinc/21/57/26/599215726.db2.gz IBTMMONWIGUIJW-GFCCVEGCSA-N -1 3 365.397 3.140 20 30 FGEDHM C=CCSc1ccccc1NC(=O)CNc1cccc(-c2nnn[n-]2)c1 ZINC000735442450 598418844 /nfs/dbraw/zinc/41/88/44/598418844.db2.gz BOCVNMNRJXGOJA-UHFFFAOYSA-N -1 3 366.450 3.195 20 30 FGEDHM C=CCSc1ccccc1NC(=O)CNc1cccc(-c2nn[n-]n2)c1 ZINC000735442450 598418846 /nfs/dbraw/zinc/41/88/46/598418846.db2.gz BOCVNMNRJXGOJA-UHFFFAOYSA-N -1 3 366.450 3.195 20 30 FGEDHM N#Cc1ccc(NC(=S)Nc2ccc(F)c(-c3nnn[n-]3)c2)cc1Cl ZINC000737719668 598582462 /nfs/dbraw/zinc/58/24/62/598582462.db2.gz UQAPWZNFBYHYOS-UHFFFAOYSA-N -1 3 373.804 3.340 20 30 FGEDHM N#Cc1ccc(NC(=S)Nc2ccc(F)c(-c3nn[n-]n3)c2)cc1Cl ZINC000737719668 598582463 /nfs/dbraw/zinc/58/24/63/598582463.db2.gz UQAPWZNFBYHYOS-UHFFFAOYSA-N -1 3 373.804 3.340 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)Cc1ccccc1 ZINC000735419658 598741017 /nfs/dbraw/zinc/74/10/17/598741017.db2.gz YRCNDSOBMQWCCF-MRXNPFEDSA-N -1 3 361.449 3.260 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)Cc1ccccc1 ZINC000735419658 598741019 /nfs/dbraw/zinc/74/10/19/598741019.db2.gz YRCNDSOBMQWCCF-MRXNPFEDSA-N -1 3 361.449 3.260 20 30 FGEDHM C=CCN(CC1CCCCC1)C(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735416192 598752884 /nfs/dbraw/zinc/75/28/84/598752884.db2.gz DXJHPYZPNJUEIN-HNNXBMFYSA-N -1 3 369.469 3.229 20 30 FGEDHM C=CCN(CC1CCCCC1)C(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735416192 598752886 /nfs/dbraw/zinc/75/28/86/598752886.db2.gz DXJHPYZPNJUEIN-HNNXBMFYSA-N -1 3 369.469 3.229 20 30 FGEDHM COCCC(Cc1cccc(F)c1)N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736980173 598788010 /nfs/dbraw/zinc/78/80/10/598788010.db2.gz XFCWHIDJBXRCES-UHFFFAOYSA-N -1 3 354.389 3.053 20 30 FGEDHM COCCC(Cc1cccc(F)c1)N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736980173 598788012 /nfs/dbraw/zinc/78/80/12/598788012.db2.gz XFCWHIDJBXRCES-UHFFFAOYSA-N -1 3 354.389 3.053 20 30 FGEDHM CCCCCCCC(=O)Nc1ccnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000736446271 598807294 /nfs/dbraw/zinc/80/72/94/598807294.db2.gz PCDCCGCFKBNELE-UHFFFAOYSA-N -1 3 353.430 3.351 20 30 FGEDHM CCCCCCCCN=C1NC(=O)C(=Cc2ccc(-c3nnn[n-]3)o2)S1 ZINC000821055431 599378229 /nfs/dbraw/zinc/37/82/29/599378229.db2.gz AKNSVWFALMNETF-SDNWHVSQSA-N -1 3 374.470 3.380 20 30 FGEDHM CCCCCCCCN=C1NC(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)S1 ZINC000821055431 599378232 /nfs/dbraw/zinc/37/82/32/599378232.db2.gz AKNSVWFALMNETF-SDNWHVSQSA-N -1 3 374.470 3.380 20 30 FGEDHM CCCCCCCC/N=C1/NC(=O)C(=Cc2ccc(-c3nn[n-]n3)o2)S1 ZINC000821055431 599378235 /nfs/dbraw/zinc/37/82/35/599378235.db2.gz AKNSVWFALMNETF-SDNWHVSQSA-N -1 3 374.470 3.380 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1ccc(Cl)s1 ZINC000737806515 599459277 /nfs/dbraw/zinc/45/92/77/599459277.db2.gz MDRPSADHSZNFSR-NSCUHMNNSA-N -1 3 356.798 3.125 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1ccc(Cl)s1 ZINC000737806515 599459279 /nfs/dbraw/zinc/45/92/79/599459279.db2.gz MDRPSADHSZNFSR-NSCUHMNNSA-N -1 3 356.798 3.125 20 30 FGEDHM C=CCCCN(C)C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000735412903 599467704 /nfs/dbraw/zinc/46/77/04/599467704.db2.gz MSQGJFTUBBZYKH-UHFFFAOYSA-N -1 3 367.409 3.077 20 30 FGEDHM C[C@H](CCc1ccccc1F)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820254702 599631228 /nfs/dbraw/zinc/63/12/28/599631228.db2.gz VFYOEPZRDWKCHF-GFCCVEGCSA-N -1 3 364.384 3.085 20 30 FGEDHM C[C@H](CCc1ccccc1F)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820254702 599631229 /nfs/dbraw/zinc/63/12/29/599631229.db2.gz VFYOEPZRDWKCHF-GFCCVEGCSA-N -1 3 364.384 3.085 20 30 FGEDHM N#Cc1cc(NC(=O)c2cccc(-c3cscn3)c2)ccc1-c1nnn[n-]1 ZINC000822823776 599632322 /nfs/dbraw/zinc/63/23/22/599632322.db2.gz ZCGYOSZRJUBJKW-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM N#Cc1cc(NC(=O)c2cccc(-c3cscn3)c2)ccc1-c1nn[n-]n1 ZINC000822823776 599632323 /nfs/dbraw/zinc/63/23/23/599632323.db2.gz ZCGYOSZRJUBJKW-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM N#Cc1cccc(OC2CCN(CCOc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000739134059 599794970 /nfs/dbraw/zinc/79/49/70/599794970.db2.gz UIGGHKVHRWZIBI-UHFFFAOYSA-N -1 3 366.417 3.179 20 30 FGEDHM C=CCC[C@@H](NC(=O)COc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000819734096 607404583 /nfs/dbraw/zinc/40/45/83/607404583.db2.gz IIRPJGHSZPNTNP-GOSISDBHSA-N -1 3 363.421 3.069 20 30 FGEDHM C=CCC[C@@H](NC(=O)COc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000819734096 607404585 /nfs/dbraw/zinc/40/45/85/607404585.db2.gz IIRPJGHSZPNTNP-GOSISDBHSA-N -1 3 363.421 3.069 20 30 FGEDHM Cc1ccsc1CCCC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000826316220 607431991 /nfs/dbraw/zinc/43/19/91/607431991.db2.gz HUYSSZAKUJVMGV-UHFFFAOYSA-N -1 3 352.423 3.070 20 30 FGEDHM Cc1ccsc1CCCC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000826316220 607431993 /nfs/dbraw/zinc/43/19/93/607431993.db2.gz HUYSSZAKUJVMGV-UHFFFAOYSA-N -1 3 352.423 3.070 20 30 FGEDHM C[C@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000736662876 600591986 /nfs/dbraw/zinc/59/19/86/600591986.db2.gz TZFCUPNQQISGQN-ORAYPTAESA-N -1 3 363.417 3.383 20 30 FGEDHM Fc1cc(-c2nn[n-]n2)ccc1CN=Nc1ncc(Cl)cc1Cl ZINC000822739899 607463590 /nfs/dbraw/zinc/46/35/90/607463590.db2.gz DQIGLKKJJFQUID-UHFFFAOYSA-N -1 3 352.160 3.154 20 30 FGEDHM N#Cc1cccc([C@@H](C(=O)[O-])N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000833074395 601321115 /nfs/dbraw/zinc/32/11/15/601321115.db2.gz XELGULOUJWCPRR-MJGOQNOKSA-N -1 3 366.392 3.418 20 30 FGEDHM CC[C@@H](C)c1ccc(NC(=O)C(C#N)C(=O)CC(C)(C)NC(=O)[O-])cc1 ZINC000739249182 603161083 /nfs/dbraw/zinc/16/10/83/603161083.db2.gz LGQNVNQOZTXHFH-IUODEOHRSA-N -1 3 359.426 3.284 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1coc2ccccc12 ZINC000826402802 607646885 /nfs/dbraw/zinc/64/68/85/607646885.db2.gz CBGDUSFUZQYZRT-VOTSOKGWSA-N -1 3 356.345 3.157 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1coc2ccccc12 ZINC000826402802 607646887 /nfs/dbraw/zinc/64/68/87/607646887.db2.gz CBGDUSFUZQYZRT-VOTSOKGWSA-N -1 3 356.345 3.157 20 30 FGEDHM C=CCOc1ccc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])cc1OC ZINC000833378009 604670495 /nfs/dbraw/zinc/67/04/95/604670495.db2.gz VQFDJTWFDHGYBG-HXUWFJFHSA-N -1 3 353.418 3.444 20 30 FGEDHM CC(C)(C(=O)[O-])[C@H]1CCCN(Cn2ccc(-c3ccc(C#N)cc3)n2)C1 ZINC000833420796 604867133 /nfs/dbraw/zinc/86/71/33/604867133.db2.gz ZKRLVKAKXQFAPC-KRWDZBQOSA-N -1 3 352.438 3.202 20 30 FGEDHM N#CCOc1ccc(Cl)cc1CN1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@H]2C1 ZINC000833968195 605442899 /nfs/dbraw/zinc/44/28/99/605442899.db2.gz YCVWWKUHXKXVQY-VBNZEHGJSA-N -1 3 363.845 3.110 20 30 FGEDHM C[C@H](OC(=O)CSc1ccc(C#N)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820498171 606342226 /nfs/dbraw/zinc/34/22/26/606342226.db2.gz YXKOGAYCPKGWQA-LBPRGKRZSA-N -1 3 365.418 3.135 20 30 FGEDHM C[C@H](OC(=O)CSc1ccc(C#N)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820498171 606342228 /nfs/dbraw/zinc/34/22/28/606342228.db2.gz YXKOGAYCPKGWQA-LBPRGKRZSA-N -1 3 365.418 3.135 20 30 FGEDHM C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)C1CC1 ZINC000819855784 606394444 /nfs/dbraw/zinc/39/44/44/606394444.db2.gz FOVYLJVMVOIXMD-IINYFYTJSA-N -1 3 364.434 3.213 20 30 FGEDHM C[C@H](C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)C1CC1 ZINC000819855784 606394446 /nfs/dbraw/zinc/39/44/46/606394446.db2.gz FOVYLJVMVOIXMD-IINYFYTJSA-N -1 3 364.434 3.213 20 30 FGEDHM C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)C1CC1 ZINC000819855789 606394523 /nfs/dbraw/zinc/39/45/23/606394523.db2.gz FOVYLJVMVOIXMD-YGRLFVJLSA-N -1 3 364.434 3.213 20 30 FGEDHM C[C@@H](C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)C1CC1 ZINC000819855789 606394525 /nfs/dbraw/zinc/39/45/25/606394525.db2.gz FOVYLJVMVOIXMD-YGRLFVJLSA-N -1 3 364.434 3.213 20 30 FGEDHM C=C[C@H](C)NC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000819729071 606814568 /nfs/dbraw/zinc/81/45/68/606814568.db2.gz BJUAEHNMZOTNFR-ZDUSSCGKSA-N -1 3 365.462 3.463 20 30 FGEDHM C=C[C@H](C)NC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000819729071 606814570 /nfs/dbraw/zinc/81/45/70/606814570.db2.gz BJUAEHNMZOTNFR-ZDUSSCGKSA-N -1 3 365.462 3.463 20 30 FGEDHM Cc1ccc(-c2nnn[n-]2)cc1OCc1cc(Cl)ccc1OCC#N ZINC000822221170 607029504 /nfs/dbraw/zinc/02/95/04/607029504.db2.gz DEPMOXRZGJZEHF-UHFFFAOYSA-N -1 3 355.785 3.310 20 30 FGEDHM Cc1ccc(-c2nn[n-]n2)cc1OCc1cc(Cl)ccc1OCC#N ZINC000822221170 607029506 /nfs/dbraw/zinc/02/95/06/607029506.db2.gz DEPMOXRZGJZEHF-UHFFFAOYSA-N -1 3 355.785 3.310 20 30 FGEDHM Cc1ccc([N+](=O)[O-])cc1NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000822271340 607148834 /nfs/dbraw/zinc/14/88/34/607148834.db2.gz XWJJKHJFQGPXQY-UHFFFAOYSA-N -1 3 362.353 3.011 20 30 FGEDHM Clc1cccc(CNN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)c1 ZINC000822586113 607148934 /nfs/dbraw/zinc/14/89/34/607148934.db2.gz SGDAGSZOGUNFHU-UHFFFAOYSA-N -1 3 351.801 3.125 20 30 FGEDHM Clc1cccc(CNN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)c1 ZINC000822586113 607148936 /nfs/dbraw/zinc/14/89/36/607148936.db2.gz SGDAGSZOGUNFHU-UHFFFAOYSA-N -1 3 351.801 3.125 20 30 FGEDHM CC1(C)C[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000824796216 607806329 /nfs/dbraw/zinc/80/63/29/607806329.db2.gz NIDCWDBMKVMTSJ-CHWSQXEVSA-N -1 3 364.434 3.213 20 30 FGEDHM CC1(C)C[C@@H]1C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000824796216 607806330 /nfs/dbraw/zinc/80/63/30/607806330.db2.gz NIDCWDBMKVMTSJ-CHWSQXEVSA-N -1 3 364.434 3.213 20 30 FGEDHM COc1cc(OC)c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000826181308 607884210 /nfs/dbraw/zinc/88/42/10/607884210.db2.gz ULMHIXGUCBPWOD-FPLPWBNLSA-N -1 3 370.796 3.433 20 30 FGEDHM COc1cc(OC)c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000826181308 607884211 /nfs/dbraw/zinc/88/42/11/607884211.db2.gz ULMHIXGUCBPWOD-FPLPWBNLSA-N -1 3 370.796 3.433 20 30 FGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ncc(Br)s1 ZINC000826399955 607930573 /nfs/dbraw/zinc/93/05/73/607930573.db2.gz LDENYVKPVLFJPJ-IWQZZHSRSA-N -1 3 368.241 3.043 20 30 FGEDHM CCN(C(=O)c1ccc(CC#N)cc1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825379274 607978564 /nfs/dbraw/zinc/97/85/64/607978564.db2.gz FQVZGYZUAJCKCM-CQSZACIVSA-N -1 3 360.421 3.156 20 30 FGEDHM CCN(C(=O)c1ccc(CC#N)cc1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825379274 607978565 /nfs/dbraw/zinc/97/85/65/607978565.db2.gz FQVZGYZUAJCKCM-CQSZACIVSA-N -1 3 360.421 3.156 20 30 FGEDHM C=C[C@H](CC(=O)OCCOc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823882620 607980808 /nfs/dbraw/zinc/98/08/08/607980808.db2.gz ANIPHFBQKFPXBM-OAHLLOKOSA-N -1 3 364.405 3.149 20 30 FGEDHM C=C[C@H](CC(=O)OCCOc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823882620 607980809 /nfs/dbraw/zinc/98/08/09/607980809.db2.gz ANIPHFBQKFPXBM-OAHLLOKOSA-N -1 3 364.405 3.149 20 30 FGEDHM C=C[C@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000823883720 607980946 /nfs/dbraw/zinc/98/09/46/607980946.db2.gz YZIHEPOCVHWVFN-CYBMUJFWSA-N -1 3 352.369 3.409 20 30 FGEDHM C=C[C@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823883720 607980947 /nfs/dbraw/zinc/98/09/47/607980947.db2.gz YZIHEPOCVHWVFN-CYBMUJFWSA-N -1 3 352.369 3.409 20 30 FGEDHM COc1ccc(CSCc2cc(F)ccc2C#N)cc1-c1nnn[n-]1 ZINC000826207949 607983873 /nfs/dbraw/zinc/98/38/73/607983873.db2.gz LZUSEYPTHGPFHA-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM COc1ccc(CSCc2cc(F)ccc2C#N)cc1-c1nn[n-]n1 ZINC000826207949 607983874 /nfs/dbraw/zinc/98/38/74/607983874.db2.gz LZUSEYPTHGPFHA-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM CC(N=Nc1ccc(-c2nnn[n-]2)cc1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000823958762 608053653 /nfs/dbraw/zinc/05/36/53/608053653.db2.gz VFUMUTPBDHJGMC-LBPRGKRZSA-N -1 3 365.397 3.442 20 30 FGEDHM CC(N=Nc1ccc(-c2nn[n-]n2)cc1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000823958762 608053654 /nfs/dbraw/zinc/05/36/54/608053654.db2.gz VFUMUTPBDHJGMC-LBPRGKRZSA-N -1 3 365.397 3.442 20 30 FGEDHM CC(=NNCc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823954113 608094828 /nfs/dbraw/zinc/09/48/28/608094828.db2.gz ZZKVRBMBZYFDOI-UHFFFAOYSA-N -1 3 366.372 3.461 20 30 FGEDHM N#Cc1ccnc(SCCCCSc2cc(-c3nnn[n-]3)ccn2)c1 ZINC000826387606 608111086 /nfs/dbraw/zinc/11/10/86/608111086.db2.gz FTDJIGOUKJKUKM-UHFFFAOYSA-N -1 3 369.479 3.193 20 30 FGEDHM N#Cc1ccnc(SCCCCSc2cc(-c3nn[n-]n3)ccn2)c1 ZINC000826387606 608111087 /nfs/dbraw/zinc/11/10/87/608111087.db2.gz FTDJIGOUKJKUKM-UHFFFAOYSA-N -1 3 369.479 3.193 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(Cl)c(F)c1 ZINC000823915311 608235812 /nfs/dbraw/zinc/23/58/12/608235812.db2.gz UDAWXGSWFLMLFC-UHFFFAOYSA-N -1 3 371.803 3.488 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(Cl)c(F)c1 ZINC000823915311 608235813 /nfs/dbraw/zinc/23/58/13/608235813.db2.gz UDAWXGSWFLMLFC-UHFFFAOYSA-N -1 3 371.803 3.488 20 30 FGEDHM C=C(CC)COC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000823877810 608318243 /nfs/dbraw/zinc/31/82/43/608318243.db2.gz GGCDCFDBHZFVAI-UHFFFAOYSA-N -1 3 354.366 3.162 20 30 FGEDHM C=C(CC)COC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000823877810 608318245 /nfs/dbraw/zinc/31/82/45/608318245.db2.gz GGCDCFDBHZFVAI-UHFFFAOYSA-N -1 3 354.366 3.162 20 30 FGEDHM C#C[C@@H](OC(=O)c1cccc(COc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000823837742 608454542 /nfs/dbraw/zinc/45/45/42/608454542.db2.gz GWDVMMXNWOQQRA-LJQANCHMSA-N -1 3 374.400 3.014 20 30 FGEDHM C#C[C@@H](OC(=O)c1ccc(OCc2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000823838188 608454925 /nfs/dbraw/zinc/45/49/25/608454925.db2.gz LHIPBJHSCOVQQI-LJQANCHMSA-N -1 3 374.400 3.014 20 30 FGEDHM C#C[C@@H](OC(=O)c1ccc(OCc2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000823838188 608454926 /nfs/dbraw/zinc/45/49/26/608454926.db2.gz LHIPBJHSCOVQQI-LJQANCHMSA-N -1 3 374.400 3.014 20 30 FGEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cscn1 ZINC000823958296 608473075 /nfs/dbraw/zinc/47/30/75/608473075.db2.gz IAJVFVODKXRIEZ-UHFFFAOYSA-N -1 3 353.333 3.178 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cscn1 ZINC000823958296 608473076 /nfs/dbraw/zinc/47/30/76/608473076.db2.gz IAJVFVODKXRIEZ-UHFFFAOYSA-N -1 3 353.333 3.178 20 30 FGEDHM O=C(C=Cc1cccc2c1OCCCO2)c1ccc(-c2nnn[n-]2)cc1F ZINC000826401092 609271133 /nfs/dbraw/zinc/27/11/33/609271133.db2.gz PGACSLKTTPLCMA-SOFGYWHQSA-N -1 3 366.352 3.063 20 30 FGEDHM O=C(C=Cc1cccc2c1OCCCO2)c1ccc(-c2nn[n-]n2)cc1F ZINC000826401092 609271134 /nfs/dbraw/zinc/27/11/34/609271134.db2.gz PGACSLKTTPLCMA-SOFGYWHQSA-N -1 3 366.352 3.063 20 30 FGEDHM C=C(C)CN(C)C(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000823872726 609450222 /nfs/dbraw/zinc/45/02/22/609450222.db2.gz CWMLECASNGGHIO-UHFFFAOYSA-N -1 3 368.466 3.313 20 30 FGEDHM O=[N+]([O-])c1ccc(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c(F)c1 ZINC000826498534 609472192 /nfs/dbraw/zinc/47/21/92/609472192.db2.gz ZPFIAUJGBQAEKC-UHFFFAOYSA-N -1 3 361.724 3.013 20 30 FGEDHM O=[N+]([O-])c1ccc(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c(F)c1 ZINC000826498534 609472195 /nfs/dbraw/zinc/47/21/95/609472195.db2.gz ZPFIAUJGBQAEKC-UHFFFAOYSA-N -1 3 361.724 3.013 20 30 FGEDHM N#CCCCNC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000826381578 609515536 /nfs/dbraw/zinc/51/55/36/609515536.db2.gz QYFGGCIUMWBILK-UHFFFAOYSA-N -1 3 364.434 3.051 20 30 FGEDHM N#CCCCNC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000826381578 609515538 /nfs/dbraw/zinc/51/55/38/609515538.db2.gz QYFGGCIUMWBILK-UHFFFAOYSA-N -1 3 364.434 3.051 20 30 FGEDHM 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Cc1ncc(CO)c(/C=N\Cc2cc(Cl)c3c(c2)OCCCO3)c1[O-] ZINC000747712565 722657912 /nfs/dbraw/zinc/65/79/12/722657912.db2.gz BFRIAQJXUZJPIS-UKWGHVSLSA-N -1 3 362.813 3.022 20 30 FGEDHM N#Cc1ccsc1N1CC[C@@H](OC(=O)c2cc3ccsc3[n-]2)C1=O ZINC000751637469 722817758 /nfs/dbraw/zinc/81/77/58/722817758.db2.gz MMRQWOMQKDPPLO-GFCCVEGCSA-N -1 3 357.416 3.125 20 30 FGEDHM CCOc1ccc(C2N=NC(=S)N2N=Cc2ccc([O-])c(F)c2)cc1 ZINC000755603644 722954865 /nfs/dbraw/zinc/95/48/65/722954865.db2.gz GOGIWUAZCVHVLT-UHFFFAOYSA-N -1 3 358.398 3.359 20 30 FGEDHM COc1ccc(C=NNCc2cccc(F)c2)c(Br)c1[O-] ZINC000761014455 723113152 /nfs/dbraw/zinc/11/31/52/723113152.db2.gz ZERNIOJOZWKZLX-UHFFFAOYSA-N -1 3 353.191 3.426 20 30 FGEDHM O=[N+]([O-])c1c(F)cccc1N=NCc1cc(O)cc(Br)c1[O-] ZINC000790309206 723125834 /nfs/dbraw/zinc/12/58/34/723125834.db2.gz ZCGCIYFTCJEWOZ-UHFFFAOYSA-N -1 3 370.134 3.354 20 30 FGEDHM COc1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl ZINC000793127319 723402618 /nfs/dbraw/zinc/40/26/18/723402618.db2.gz 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Cc1ccc(C=CC([O-])=C(C#N)C(=O)c2nccn2C)c(Br)c1 ZINC000770862539 723722105 /nfs/dbraw/zinc/72/21/05/723722105.db2.gz OFMSVBYDSBRGJX-CFHLNLSMSA-N -1 3 372.222 3.096 20 30 FGEDHM COC(=O)N1CCC([C@@H](C)/N=C\c2cc(Br)ccc2[O-])CC1 ZINC000776722285 724174378 /nfs/dbraw/zinc/17/43/78/724174378.db2.gz PTYDPINWTWDTES-IPHDDYSGSA-N -1 3 369.259 3.441 20 30 FGEDHM C=C[C@@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000785857151 724943186 /nfs/dbraw/zinc/94/31/86/724943186.db2.gz QYOOIPQPGJDGGP-CQSZACIVSA-N -1 3 368.474 3.083 20 30 FGEDHM CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc2sccc2c([O-])c1 ZINC000786139433 724962527 /nfs/dbraw/zinc/96/25/27/724962527.db2.gz HDFOCKGNSMDFFQ-VOJFVSQTSA-N -1 3 360.435 3.207 20 30 FGEDHM N#Cc1cc([O-])cc(C(=O)OCc2cn3cc(Br)ccc3n2)c1 ZINC000811187106 725349523 /nfs/dbraw/zinc/34/95/23/725349523.db2.gz JSKHPXCDTFWTPI-UHFFFAOYSA-N -1 3 372.178 3.031 20 30 FGEDHM [O-]c1ccc(CN=Nc2nc(-c3cccnc3)no2)cc1Br ZINC000814948404 727014228 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FGEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cc(Cl)ccc1SC1CCCC1 ZINC000848136011 731134285 /nfs/dbraw/zinc/13/42/85/731134285.db2.gz RPTNXAFMLAPCGA-CQSZACIVSA-N -1 3 368.886 3.485 20 30 FGEDHM C#CCCN(CC(F)(F)F)C(=O)c1cc([O-])cc(Br)c1 ZINC000860879818 732588496 /nfs/dbraw/zinc/58/84/96/732588496.db2.gz QKONESLMLTVYEF-UHFFFAOYSA-N -1 3 350.134 3.183 20 30 FGEDHM C=C(C)C[C@H](NCc1c(C)nn(-c2ccc(F)cc2)c1Cl)C(=O)[O-] ZINC000864530596 733074132 /nfs/dbraw/zinc/07/41/32/733074132.db2.gz HMHPDOXVJZEIOZ-HNNXBMFYSA-N -1 3 351.809 3.482 20 30 FGEDHM C[C@H]1CCn2cc(C([O-])=C(C#N)C(=O)Nc3ccccc3Cl)nc2C1 ZINC000870138006 733815722 /nfs/dbraw/zinc/81/57/22/733815722.db2.gz ABYHWSHTKSYNDF-NWDGAFQWSA-N -1 3 356.813 3.080 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@@H]1CCCC1(F)F ZINC000881580162 737353368 /nfs/dbraw/zinc/35/33/68/737353368.db2.gz GJZUVXHENVSIGQ-ZDUSSCGKSA-N -1 3 351.397 3.150 20 30 FGEDHM O=C(NCCC(=O)N([O-])Cc1cccc2ccccc21)c1cccs1 ZINC000901370695 743260846 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COc1cc(C=NNCc2cccc(F)c2)cc(Br)c1[O-] ZINC000915968431 758012867 /nfs/dbraw/zinc/01/28/67/758012867.db2.gz ZXTUFJPEFVXLIK-UHFFFAOYSA-N -1 3 353.191 3.426 20 30 FGEDHM CCCCC1N=NC(=S)N1N=Cc1cc(Br)ccc1[O-] ZINC000916301898 758066819 /nfs/dbraw/zinc/06/68/19/758066819.db2.gz DQMNQONNGNOHDE-UHFFFAOYSA-N -1 3 355.261 3.260 20 30 FGEDHM C=C(C)CN(CC)C(=O)COC(=O)c1cccc2[n-]c(C(F)F)nc21 ZINC000924083854 759259263 /nfs/dbraw/zinc/25/92/63/759259263.db2.gz NJWWEIFWPFTEMM-UHFFFAOYSA-N -1 3 351.353 3.082 20 30 FGEDHM C=CCCCN(CC)C(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000929910685 760489737 /nfs/dbraw/zinc/48/97/37/760489737.db2.gz NPMZORFONOJZIZ-UHFFFAOYSA-N -1 3 369.487 3.277 20 30 FGEDHM COCC1(C[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCCCC1 ZINC000580133547 505683640 /nfs/dbraw/zinc/68/36/40/505683640.db2.gz PJRVWVYXWNOUPJ-UHFFFAOYSA-N -1 3 356.875 3.087 20 30 FGEDHM C=CCc1ccc(OC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(OC)c1 ZINC000060952957 493960809 /nfs/dbraw/zinc/96/08/09/493960809.db2.gz MQGMQJGNEQNRIL-UHFFFAOYSA-N -1 3 366.417 3.139 20 30 FGEDHM CCOCCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1 ZINC000063878443 494096245 /nfs/dbraw/zinc/09/62/45/494096245.db2.gz ZYWZIDPYXCRVHL-UHFFFAOYSA-N -1 3 360.435 3.083 20 30 FGEDHM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000053526099 494143009 /nfs/dbraw/zinc/14/30/09/494143009.db2.gz RXTZEMMEXAAEHV-UHFFFAOYSA-N -1 3 356.367 3.155 20 30 FGEDHM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000053526099 494143012 /nfs/dbraw/zinc/14/30/12/494143012.db2.gz RXTZEMMEXAAEHV-UHFFFAOYSA-N -1 3 356.367 3.155 20 30 FGEDHM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000053526099 494143015 /nfs/dbraw/zinc/14/30/15/494143015.db2.gz RXTZEMMEXAAEHV-UHFFFAOYSA-N -1 3 356.367 3.155 20 30 FGEDHM CC[C@@H](CC#N)[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000054178352 494204295 /nfs/dbraw/zinc/20/42/95/494204295.db2.gz DLQGMFWNWPNRCV-VIFPVBQESA-N -1 3 351.653 3.073 20 30 FGEDHM N#CCSc1cccc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)c1 ZINC000080023747 494571930 /nfs/dbraw/zinc/57/19/30/494571930.db2.gz HZOBYQSTKRYGOZ-UHFFFAOYSA-N -1 3 353.382 3.479 20 30 FGEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1cc(Br)ccc1Cl ZINC000121735711 494848464 /nfs/dbraw/zinc/84/84/64/494848464.db2.gz AGWNZAKMAKMIPI-NSHDSACASA-N -1 3 365.680 3.319 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(C2(C)CCCC2)on1 ZINC000580400663 505750702 /nfs/dbraw/zinc/75/07/02/505750702.db2.gz KUEOYYCTGKVATA-UHFFFAOYSA-N -1 3 368.437 3.089 20 30 FGEDHM C=CCOc1ccc(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)cc1OC ZINC000102824004 495164873 /nfs/dbraw/zinc/16/48/73/495164873.db2.gz WNVRIVFVVMGGAK-UHFFFAOYSA-N -1 3 368.368 3.437 20 30 FGEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(NC(C)=O)ccc1[O-] ZINC000119886389 495261873 /nfs/dbraw/zinc/26/18/73/495261873.db2.gz XPCISNVUCICUPF-UHFFFAOYSA-N -1 3 369.377 3.087 20 30 FGEDHM C=C[C@](C)(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000135475613 495298473 /nfs/dbraw/zinc/29/84/73/495298473.db2.gz BBXSJLULJFHXRW-CQSZACIVSA-N -1 3 364.389 3.068 20 30 FGEDHM Cc1nnc(-c2ccccc2C([O-])=C(C#N)c2nc3ccccc3n2C)o1 ZINC000182561831 495615934 /nfs/dbraw/zinc/61/59/34/495615934.db2.gz YVEMBSNLGZCQGE-HNNXBMFYSA-N -1 3 357.373 3.422 20 30 FGEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000571698042 505793059 /nfs/dbraw/zinc/79/30/59/505793059.db2.gz KQVXVGYJIXARMF-SNVBAGLBSA-N -1 3 365.680 3.319 20 30 FGEDHM C#CCOc1ccc([C@H](C)Nc2ccc(OC)c([N-]S(C)(=O)=O)c2)cc1 ZINC000182734592 495681597 /nfs/dbraw/zinc/68/15/97/495681597.db2.gz DIIJRALBQFNBCR-AWEZNQCLSA-N -1 3 374.462 3.252 20 30 FGEDHM N#CC1(C(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)CCCCC1 ZINC000151228586 495777677 /nfs/dbraw/zinc/77/76/77/495777677.db2.gz PTUHFWXEZRFAIK-UHFFFAOYSA-N -1 3 355.438 3.043 20 30 FGEDHM COc1cccc(Cc2nnc([N-]C(=O)c3cc(C#N)cs3)s2)c1 ZINC000177050074 495901409 /nfs/dbraw/zinc/90/14/09/495901409.db2.gz DQPIXQLQSVKFSG-UHFFFAOYSA-N -1 3 356.432 3.323 20 30 FGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@@H]1COc2ccccc21 ZINC000180208963 495907820 /nfs/dbraw/zinc/90/78/20/495907820.db2.gz PLTYCGXYMVPGJZ-FZMZJTMJSA-N -1 3 362.838 3.055 20 30 FGEDHM C=CCc1cc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc(OC)c1OC ZINC000160252462 495919179 /nfs/dbraw/zinc/91/91/79/495919179.db2.gz SBUCBYQTCNMJES-UHFFFAOYSA-N -1 3 368.393 3.371 20 30 FGEDHM C=CCc1cc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc(OC)c1OC ZINC000160252462 495919182 /nfs/dbraw/zinc/91/91/82/495919182.db2.gz SBUCBYQTCNMJES-UHFFFAOYSA-N -1 3 368.393 3.371 20 30 FGEDHM C=CCc1cc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc(OC)c1OC ZINC000160252462 495919187 /nfs/dbraw/zinc/91/91/87/495919187.db2.gz SBUCBYQTCNMJES-UHFFFAOYSA-N -1 3 368.393 3.371 20 30 FGEDHM Cn1nnc2cc(C([O-])=C(C#N)c3nc4ccccc4n3C(F)F)ccc21 ZINC000171567366 495930620 /nfs/dbraw/zinc/93/06/20/495930620.db2.gz QESWHYFTAVBQET-LLVKDONJSA-N -1 3 366.331 3.203 20 30 FGEDHM N#Cc1cc(CN2CCC(C(=O)Nc3ccccc3[O-])CC2)ccc1F ZINC000160591180 495998561 /nfs/dbraw/zinc/99/85/61/495998561.db2.gz CWOVADCNKKANTL-UHFFFAOYSA-N -1 3 353.397 3.254 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCc3cc(F)ccc32)c(Cl)c1 ZINC000183537790 496023176 /nfs/dbraw/zinc/02/31/76/496023176.db2.gz LRHDTVPSHDIDIL-HNNXBMFYSA-N -1 3 350.802 3.317 20 30 FGEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc(-c3ccccc3)no2)ccc1F ZINC000171775386 496031972 /nfs/dbraw/zinc/03/19/72/496031972.db2.gz DANLHGVFBWOICA-UHFFFAOYSA-N -1 3 359.382 3.007 20 30 FGEDHM C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)cccc2Cl)c1 ZINC000161059496 496094601 /nfs/dbraw/zinc/09/46/01/496094601.db2.gz MCOPJRXEYOQDDI-UHFFFAOYSA-N -1 3 364.854 3.365 20 30 FGEDHM Cc1nc(-c2ccc(C[N-]S(=O)(=O)c3cccc(C)c3C#N)o2)cs1 ZINC000156258278 496199815 /nfs/dbraw/zinc/19/98/15/496199815.db2.gz JWRWXXBQYWHYHF-UHFFFAOYSA-N -1 3 373.459 3.370 20 30 FGEDHM CC(C)(C#N)c1ccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)cc1 ZINC000172884493 496475905 /nfs/dbraw/zinc/47/59/05/496475905.db2.gz ILAHUEYLIYDWOR-UHFFFAOYSA-N -1 3 362.426 3.448 20 30 FGEDHM Cc1ccc(NC(=O)C(C#N)Cn2[n-]c(C(F)(F)F)cc2=O)cc1C ZINC000153574660 496502896 /nfs/dbraw/zinc/50/28/96/496502896.db2.gz YSVJAYUNLHSCBG-LLVKDONJSA-N -1 3 352.316 3.003 20 30 FGEDHM N#Cc1cc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)ccc1[N+](=O)[O-] ZINC000165185700 496650798 /nfs/dbraw/zinc/65/07/98/496650798.db2.gz GBAOPNZUVXBEBL-UHFFFAOYSA-N -1 3 366.377 3.027 20 30 FGEDHM CCCN(CC#N)C(=O)C[C@@H](NC(=O)c1ccc([O-])cc1)c1ccccc1 ZINC000182160382 496692197 /nfs/dbraw/zinc/69/21/97/496692197.db2.gz UHZVUUFQIJATMB-LJQANCHMSA-N -1 3 365.433 3.016 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccncc2Br)cc1Cl ZINC000169008879 496713605 /nfs/dbraw/zinc/71/36/05/496713605.db2.gz BZHRHZDVZLBUMK-UHFFFAOYSA-N -1 3 372.631 3.170 20 30 FGEDHM CCCC[C@@H](ON=C(C)C)C(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 ZINC000273378326 496788861 /nfs/dbraw/zinc/78/88/61/496788861.db2.gz BTXLAAFODLUELD-OAHLLOKOSA-N -1 3 373.450 3.107 20 30 FGEDHM Cc1nn(C)c(C(=O)[N-]c2ccccc2SC[C@@H](C)C#N)c1[N+](=O)[O-] ZINC000264507345 496916582 /nfs/dbraw/zinc/91/65/82/496916582.db2.gz HUXHVBJYSFMBMO-JTQLQIEISA-N -1 3 359.411 3.141 20 30 FGEDHM CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000269411430 496940755 /nfs/dbraw/zinc/94/07/55/496940755.db2.gz FOPBLDGSKDVQLU-UHFFFAOYSA-N -1 3 358.423 3.124 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2ncsc2c1 ZINC000192457914 497120772 /nfs/dbraw/zinc/12/07/72/497120772.db2.gz QHINCMVEJJWXEL-UHFFFAOYSA-N -1 3 352.419 3.044 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCOc3c(F)cccc32)c(Cl)c1 ZINC000190721982 497584884 /nfs/dbraw/zinc/58/48/84/497584884.db2.gz WFTKBNFQCOWPIE-AWEZNQCLSA-N -1 3 366.801 3.153 20 30 FGEDHM N#CC(=C([O-])c1cncn1-c1ccc(F)cc1)c1cnc2ccccc2n1 ZINC000190953636 497659515 /nfs/dbraw/zinc/65/95/15/497659515.db2.gz AMRXGNCZSNRUFX-HNNXBMFYSA-N -1 3 357.348 3.445 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(-c2ccccc2)cn1 ZINC000194446767 497669955 /nfs/dbraw/zinc/66/99/55/497669955.db2.gz LZIREKCBYRITGW-UHFFFAOYSA-N -1 3 372.428 3.497 20 30 FGEDHM Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2csc(=O)[n-]2)c1C ZINC000329899592 497945109 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FGEDHM Cc1cc(Cl)cc(CN2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)c1[O-] ZINC000362241421 498480562 /nfs/dbraw/zinc/48/05/62/498480562.db2.gz ZOJIKHNGLCXLLY-VLIAUNLRSA-N -1 3 367.836 3.200 20 30 FGEDHM CC1(C)C[C@@]1(C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000331915838 498499427 /nfs/dbraw/zinc/49/94/27/498499427.db2.gz DWHOETSTNZHFPL-LBPRGKRZSA-N -1 3 363.664 3.073 20 30 FGEDHM COC[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccc(Cl)cc1 ZINC000572788494 506051827 /nfs/dbraw/zinc/05/18/27/506051827.db2.gz USCLCURKKCMGQB-HNNXBMFYSA-N -1 3 368.817 3.017 20 30 FGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-]CCc2ccc(Cl)cc2)c1 ZINC000316429121 498787912 /nfs/dbraw/zinc/78/79/12/498787912.db2.gz ZJGNWOPHZRAURT-UHFFFAOYSA-N -1 3 355.246 3.386 20 30 FGEDHM Cc1nc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)ccc1C#N ZINC000291592890 499005288 /nfs/dbraw/zinc/00/52/88/499005288.db2.gz HTABSZGKWUZGPA-UHFFFAOYSA-N -1 3 370.840 3.476 20 30 FGEDHM Cc1oc(C#N)cc1C(=O)[N-]c1n[nH]c(-c2cccc(OC(F)F)c2)n1 ZINC000369182584 499375324 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N#Cc1ccc(S(=O)(=O)[N-]CCC2CC(F)(F)C2)c(C(F)(F)F)c1 ZINC000416501059 500053296 /nfs/dbraw/zinc/05/32/96/500053296.db2.gz JRENYLCPEGCRMX-UHFFFAOYSA-N -1 3 368.327 3.291 20 30 FGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(C(=O)c4cc[nH]c4)cc3)nc1-2 ZINC000429559627 500101812 /nfs/dbraw/zinc/10/18/12/500101812.db2.gz HYNPCTNBLYVFBF-INIZCTEOSA-N -1 3 369.384 3.316 20 30 FGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3ccc(Cn4cccn4)cc3)nc1-2 ZINC000429569155 500105288 /nfs/dbraw/zinc/10/52/88/500105288.db2.gz LBPLVFYPIZEPOR-MRXNPFEDSA-N -1 3 356.389 3.001 20 30 FGEDHM COc1ccc([C@@H](CC(=O)[O-])NCc2ccc(C#N)c(F)c2)cc1OC ZINC000421817440 500158145 /nfs/dbraw/zinc/15/81/45/500158145.db2.gz UPCGTKKEMNOHII-MRXNPFEDSA-N -1 3 358.369 3.020 20 30 FGEDHM CC[C@@H](C#N)S(=O)(=O)[N-]c1cccc(CCC(=O)OC(C)(C)C)c1 ZINC000416950246 500163952 /nfs/dbraw/zinc/16/39/52/500163952.db2.gz DUNRZZSLJNPMAX-HNNXBMFYSA-N -1 3 352.456 3.005 20 30 FGEDHM N#Cc1ccc(O[C@@H]2CCN(Cc3cc([O-])cc(C(F)(F)F)c3)C2)nc1 ZINC000430183357 500205484 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N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CSc2ccccc21 ZINC000443112129 500681938 /nfs/dbraw/zinc/68/19/38/500681938.db2.gz RWLPHXPBGIMHMM-CYBMUJFWSA-N -1 3 350.852 3.337 20 30 FGEDHM Cc1ccc([C@H]2OCCC[C@H]2[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1 ZINC000443335124 500711233 /nfs/dbraw/zinc/71/12/33/500711233.db2.gz NKBNPUZMDHHYOX-IEBWSBKVSA-N -1 3 374.437 3.204 20 30 FGEDHM COc1ccc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1Cl ZINC000443500922 500730694 /nfs/dbraw/zinc/73/06/94/500730694.db2.gz LTPGODHCYKNKOD-UHFFFAOYSA-N -1 3 371.245 3.352 20 30 FGEDHM O=C(CNCC(F)(F)F)[N-][C@H](c1ccc(F)c(Cl)c1)C(F)(F)F ZINC000444755122 500893626 /nfs/dbraw/zinc/89/36/26/500893626.db2.gz DYFHCUQLVNBNGW-SNVBAGLBSA-N -1 3 366.664 3.351 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H]2c2c(F)cccc2Cl)s1 ZINC000435432632 500974770 /nfs/dbraw/zinc/97/47/70/500974770.db2.gz JUFXYVNMBAZOOU-CABZTGNLSA-N -1 3 356.831 3.247 20 30 FGEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000435580760 500995207 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CC(F)(F)CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000451608042 501335810 /nfs/dbraw/zinc/33/58/10/501335810.db2.gz METPZYAGOMCKBQ-UHFFFAOYSA-N -1 3 356.316 3.291 20 30 FGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000451744946 501364974 /nfs/dbraw/zinc/36/49/74/501364974.db2.gz GJGWKJGDMBXEKW-GWCFXTLKSA-N -1 3 364.364 3.487 20 30 FGEDHM CC(C)CCn1nc(C[N-]S(=O)(=O)c2ccc(C#N)o2)c2ccccc21 ZINC000451818995 501379168 /nfs/dbraw/zinc/37/91/68/501379168.db2.gz RTLVRPNFSXSITQ-UHFFFAOYSA-N -1 3 372.450 3.026 20 30 FGEDHM N#CCCN(Cc1cccnc1)C(=O)Cc1ccc(Br)cc1[O-] ZINC000477608661 501735510 /nfs/dbraw/zinc/73/55/10/501735510.db2.gz MIDKHZFHIHEURZ-UHFFFAOYSA-N -1 3 374.238 3.035 20 30 FGEDHM C=CCn1c(=O)[n-]nc1SCCOc1ccc(Br)cc1 ZINC000470824902 501819109 /nfs/dbraw/zinc/81/91/09/501819109.db2.gz QLSFDOCXKKQGCM-UHFFFAOYSA-N -1 3 356.245 3.103 20 30 FGEDHM N#Cc1cnccc1[N-]C(=O)c1cc(-c2ccccc2C(F)(F)F)on1 ZINC000463951302 501861349 /nfs/dbraw/zinc/86/13/49/501861349.db2.gz QBBIVCISOUKWLP-UHFFFAOYSA-N -1 3 358.279 3.301 20 30 FGEDHM Cc1ncn(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc2)c1C ZINC000461210931 502041144 /nfs/dbraw/zinc/04/11/44/502041144.db2.gz IDPYODXVAWNVGV-UHFFFAOYSA-N -1 3 366.446 3.470 20 30 FGEDHM C[C@@H]1Oc2c(cccc2C([O-])=C(C#N)c2nccc3ccccc32)NC1=O ZINC000483214109 502315593 /nfs/dbraw/zinc/31/55/93/502315593.db2.gz DHLMRNVWKZWQLR-BLLLJJGKSA-N -1 3 357.369 3.444 20 30 FGEDHM COC1CCC(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000476216811 502417446 /nfs/dbraw/zinc/41/74/46/502417446.db2.gz LIHIFBKYXNYQMU-UHFFFAOYSA-N -1 3 356.875 3.085 20 30 FGEDHM COC[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccc(Cl)cc1 ZINC000487385022 502431098 /nfs/dbraw/zinc/43/10/98/502431098.db2.gz BJZMOYMZSSNEHC-MRXNPFEDSA-N -1 3 370.902 3.421 20 30 FGEDHM COC(=O)c1cc(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)c[n-]1 ZINC000487473704 502453747 /nfs/dbraw/zinc/45/37/47/502453747.db2.gz MSLRGSVAZAFKFJ-UHFFFAOYSA-N -1 3 352.375 3.049 20 30 FGEDHM Cc1cccc(F)c1S(=O)(=O)[N-]CC#Cc1ccc(C(F)(F)F)cc1 ZINC000476334134 502460379 /nfs/dbraw/zinc/46/03/79/502460379.db2.gz QQVFLFIQFHPBOY-UHFFFAOYSA-N -1 3 371.355 3.483 20 30 FGEDHM CC(C)(C)[C@H](C#N)[N-]S(=O)(=O)c1c(Cl)cccc1Br ZINC000509201880 502846830 /nfs/dbraw/zinc/84/68/30/502846830.db2.gz GOFDNTDBDWQFOP-JTQLQIEISA-N -1 3 365.680 3.319 20 30 FGEDHM CC(=O)Nc1cccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000513286519 502896716 /nfs/dbraw/zinc/89/67/16/502896716.db2.gz HCGYWESMSLXQFH-UHFFFAOYSA-N -1 3 366.421 3.114 20 30 FGEDHM C[C@H](Sc1ccc(C#N)cc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000509664819 502960929 /nfs/dbraw/zinc/96/09/29/502960929.db2.gz KTWNISKLPWBWPN-LBPRGKRZSA-N -1 3 360.460 3.293 20 30 FGEDHM C=CCOc1cccc([N-]S(=O)(=O)CC2(C(=O)OC)CCCCC2)c1 ZINC000489685880 503011208 /nfs/dbraw/zinc/01/12/08/503011208.db2.gz BFQAWPQWFSVRLW-UHFFFAOYSA-N -1 3 367.467 3.117 20 30 FGEDHM N#Cc1ccc([N-]S(=O)(=O)CCc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000499290597 503373000 /nfs/dbraw/zinc/37/30/00/503373000.db2.gz JJDAHMXJDZFOKN-UHFFFAOYSA-N -1 3 365.798 3.104 20 30 FGEDHM C[C@@H]1CCCC[C@H]1OCC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503436402 503408432 /nfs/dbraw/zinc/40/84/32/503408432.db2.gz PGZZJVCZVBXQJM-IUODEOHRSA-N -1 3 356.875 3.085 20 30 FGEDHM C[C@H](COc1cccc(F)c1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503437257 503408441 /nfs/dbraw/zinc/40/84/41/503408441.db2.gz RAHSKNSNOHZIED-LLVKDONJSA-N -1 3 368.817 3.097 20 30 FGEDHM CCOc1ccccc1CC[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503437304 503409591 /nfs/dbraw/zinc/40/95/91/503409591.db2.gz RSJJZEHPOYWEJL-UHFFFAOYSA-N -1 3 364.854 3.131 20 30 FGEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl)N(C)c1ccccc1 ZINC000503437262 503409684 /nfs/dbraw/zinc/40/96/84/503409684.db2.gz RBNQHFFQZDLDHR-CYBMUJFWSA-N -1 3 363.870 3.015 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CSc3ccccc32)c(Cl)c1 ZINC000503475823 503417489 /nfs/dbraw/zinc/41/74/89/503417489.db2.gz MBEAJKYYSHJEAA-CYBMUJFWSA-N -1 3 350.852 3.337 20 30 FGEDHM CSC[C@@](C)(C#N)[N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl ZINC000508075187 503424463 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N#Cc1csc(C(=O)[N-]c2n[nH]c(-c3ccccc3Br)n2)c1 ZINC000531207978 504226730 /nfs/dbraw/zinc/22/67/30/504226730.db2.gz DZSQCLZYMGVGFI-UHFFFAOYSA-N -1 3 374.223 3.420 20 30 FGEDHM C[C@@H]1CCc2ccccc2[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000538695545 504329768 /nfs/dbraw/zinc/32/97/68/504329768.db2.gz WDLYYVCTEWDQPR-XIKOKIGWSA-N -1 3 371.418 3.068 20 30 FGEDHM N#Cc1ccc(C2(NCc3nc(=O)c4sccc4[n-]3)CCOCC2)cc1 ZINC000528779209 504376577 /nfs/dbraw/zinc/37/65/77/504376577.db2.gz SHGQYIGNBCRGBH-UHFFFAOYSA-N -1 3 366.446 3.064 20 30 FGEDHM N#Cc1ccc(NC2CC2)c(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c1 ZINC000535834263 504559506 /nfs/dbraw/zinc/55/95/06/504559506.db2.gz PHOLVYRAMNGAKG-UHFFFAOYSA-N -1 3 362.349 3.169 20 30 FGEDHM Cc1cc(C(C#N)=C([O-])c2cccc(COC3CCOCC3)c2)nc(C)n1 ZINC000532267844 504591816 /nfs/dbraw/zinc/59/18/16/504591816.db2.gz UJWABVPNUSGICI-IBGZPJMESA-N -1 3 365.433 3.279 20 30 FGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(OC(F)F)c([N+](=O)[O-])c2)nc(C)n1 ZINC000542877838 504642940 /nfs/dbraw/zinc/64/29/40/504642940.db2.gz XBXIAKAEUPVKIG-LLVKDONJSA-N -1 3 362.292 3.093 20 30 FGEDHM C=CCOCCN(C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000559071679 504774345 /nfs/dbraw/zinc/77/43/45/504774345.db2.gz YMZSJEYQDOMXME-UHFFFAOYSA-N -1 3 360.479 3.122 20 30 FGEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1F)Oc1ccc(Cl)cc1 ZINC000559246922 504807707 /nfs/dbraw/zinc/80/77/07/504807707.db2.gz HLEMFDVTKXOGTK-NSHDSACASA-N -1 3 368.817 3.097 20 30 FGEDHM C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1 ZINC000562824396 504956777 /nfs/dbraw/zinc/95/67/77/504956777.db2.gz ZPPGGVQNSOTMQR-WBVHZDCISA-N -1 3 354.410 3.013 20 30 FGEDHM Cn1[n-]c(-c2ccccc2Cl)nc1=NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000565688560 504958222 /nfs/dbraw/zinc/95/82/22/504958222.db2.gz OCPVKVMMGLTWAM-UHFFFAOYSA-N -1 3 372.215 3.335 20 30 FGEDHM C=CCc1cc(CN[C@@]2(C(=O)[O-])CCc3c2cccc3F)cc(OC)c1O ZINC000551057855 505149667 /nfs/dbraw/zinc/14/96/67/505149667.db2.gz HZWSQAGKFIUDOC-NRFANRHFSA-N -1 3 371.408 3.284 20 30 FGEDHM COc1ccc(Cl)cc1-c1cc(=NC(=O)Cc2cccc(C#N)c2)[nH][n-]1 ZINC000555554388 505455931 /nfs/dbraw/zinc/45/59/31/505455931.db2.gz JJFWJCNTLSNWAD-UHFFFAOYSA-N -1 3 366.808 3.213 20 30 FGEDHM CC[C@H]([N-]S(=O)(=O)CCC(C)(C)C#N)c1nc(C(F)(F)F)cs1 ZINC000561996257 505488242 /nfs/dbraw/zinc/48/82/42/505488242.db2.gz CKYDGPPGDUOKKS-VIFPVBQESA-N -1 3 369.434 3.472 20 30 FGEDHM Cc1ccccc1C[N-]S(=O)(=O)c1cccc(Br)c1C#N ZINC000555948533 505546340 /nfs/dbraw/zinc/54/63/40/505546340.db2.gz GYBNSIYMDVNFBJ-UHFFFAOYSA-N -1 3 365.252 3.108 20 30 FGEDHM CC(C)C[C@H](C#N)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000588942799 506389515 /nfs/dbraw/zinc/38/95/15/506389515.db2.gz JRTFPOYJBJOSOV-SECBINFHSA-N -1 3 365.680 3.319 20 30 FGEDHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC(C)(C)CC#N ZINC000599324772 506413333 /nfs/dbraw/zinc/41/33/33/506413333.db2.gz XADMQILZPINZOD-UHFFFAOYSA-N -1 3 363.252 3.115 20 30 FGEDHM N#Cc1cc(S(=O)(=O)[N-]CC2(C(F)(F)F)CCCC2)ccc1F ZINC000599502687 506475988 /nfs/dbraw/zinc/47/59/88/506475988.db2.gz 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ZINC000594761115 507272133 /nfs/dbraw/zinc/27/21/33/507272133.db2.gz DWZCQMYJSZQPNE-UHFFFAOYSA-N -1 3 364.492 3.055 20 30 FGEDHM COCCCn1c(=O)[n-]nc1SCc1ccc(C#N)cc1C(F)(F)F ZINC000594880287 507303038 /nfs/dbraw/zinc/30/30/38/507303038.db2.gz GUPGEXZIUIZMLB-UHFFFAOYSA-N -1 3 372.372 3.203 20 30 FGEDHM CC[C@H]([N-]S(=O)(=O)c1c(C)cc(F)cc1C#N)c1c(C)noc1C ZINC000601379429 507350694 /nfs/dbraw/zinc/35/06/94/507350694.db2.gz YLGZVWPQRWCHDW-AWEZNQCLSA-N -1 3 351.403 3.040 20 30 FGEDHM COc1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCCc2cc(C#N)ccc21 ZINC000592057362 507468782 /nfs/dbraw/zinc/46/87/82/507468782.db2.gz JXIHRUAPBQHWSY-MRXNPFEDSA-N -1 3 360.410 3.062 20 30 FGEDHM N#CC(=C([O-])c1cccc(OCC(F)(F)F)n1)c1nc2ccccc2[nH]1 ZINC000607009026 507583228 /nfs/dbraw/zinc/58/32/28/507583228.db2.gz JFWAUVWMPGNZAV-SNVBAGLBSA-N -1 3 360.295 3.389 20 30 FGEDHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1cccc(C#Cc2cccs2)c1 ZINC000607103848 507611794 /nfs/dbraw/zinc/61/17/94/507611794.db2.gz OACPMOYAXQSOST-QGZVFWFLSA-N -1 3 361.488 3.459 20 30 FGEDHM COc1ccc(C#N)cc1NC(=O)c1c[n-]c2c(C)cc(F)cc2c1=O ZINC000586989270 507703524 /nfs/dbraw/zinc/70/35/24/507703524.db2.gz BUBWROMRZGXXLO-UHFFFAOYSA-N -1 3 351.337 3.108 20 30 FGEDHM COc1ccc(C#N)cc1NC(=O)c1cnc2c(C)cc(F)cc2c1[O-] ZINC000586989270 507703527 /nfs/dbraw/zinc/70/35/27/507703527.db2.gz BUBWROMRZGXXLO-UHFFFAOYSA-N -1 3 351.337 3.108 20 30 FGEDHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(C#N)cc3Cl)CCC2)n1 ZINC000611539349 507728297 /nfs/dbraw/zinc/72/82/97/507728297.db2.gz AAAFPQDRLAPNFU-UHFFFAOYSA-N -1 3 367.883 3.334 20 30 FGEDHM N#Cc1ccc(-c2cccc(CNc3ccc(-c4nnn[n-]4)cn3)c2)s1 ZINC000737708881 598854554 /nfs/dbraw/zinc/85/45/54/598854554.db2.gz HIJGWGNVLVKFBW-UHFFFAOYSA-N -1 3 359.418 3.474 20 30 FGEDHM N#Cc1ccc(-c2cccc(CNc3ccc(-c4nn[n-]n4)cn3)c2)s1 ZINC000737708881 598854556 /nfs/dbraw/zinc/85/45/56/598854556.db2.gz HIJGWGNVLVKFBW-UHFFFAOYSA-N -1 3 359.418 3.474 20 30 FGEDHM CC[C@@H](C#N)Oc1cccc(CNc2cccc(F)c2-c2nnn[n-]2)c1 ZINC000736308703 598870944 /nfs/dbraw/zinc/87/09/44/598870944.db2.gz GRHCPZTXBPFRRJ-ZDUSSCGKSA-N -1 3 352.373 3.299 20 30 FGEDHM CC[C@@H](C#N)Oc1cccc(CNc2cccc(F)c2-c2nn[n-]n2)c1 ZINC000736308703 598870946 /nfs/dbraw/zinc/87/09/46/598870946.db2.gz GRHCPZTXBPFRRJ-ZDUSSCGKSA-N -1 3 352.373 3.299 20 30 FGEDHM CC[C@H](C#N)Oc1cccc(CNc2nc(C)cc(C)c2-c2nnn[n-]2)c1 ZINC000736308825 598871512 /nfs/dbraw/zinc/87/15/12/598871512.db2.gz IMELOGCXJZMCJB-OAHLLOKOSA-N -1 3 363.425 3.172 20 30 FGEDHM CC[C@H](C#N)Oc1cccc(CNc2nc(C)cc(C)c2-c2nn[n-]n2)c1 ZINC000736308825 598871514 /nfs/dbraw/zinc/87/15/14/598871514.db2.gz IMELOGCXJZMCJB-OAHLLOKOSA-N -1 3 363.425 3.172 20 30 FGEDHM N#Cc1cc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1-c1nnn[n-]1 ZINC000737706082 598922982 /nfs/dbraw/zinc/92/29/82/598922982.db2.gz VWRULFKANBUCMX-KOLCDFICSA-N -1 3 364.331 3.046 20 30 FGEDHM N#Cc1cc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1-c1nn[n-]n1 ZINC000737706082 598922984 /nfs/dbraw/zinc/92/29/84/598922984.db2.gz VWRULFKANBUCMX-KOLCDFICSA-N -1 3 364.331 3.046 20 30 FGEDHM N#Cc1ccc(NC(=O)C=Cc2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000737716981 598928484 /nfs/dbraw/zinc/92/84/84/598928484.db2.gz XVNIPKWYHZDVQP-FPYGCLRLSA-N -1 3 350.769 3.044 20 30 FGEDHM N#Cc1ccc(NC(=O)C=Cc2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000737716981 598928485 /nfs/dbraw/zinc/92/84/85/598928485.db2.gz XVNIPKWYHZDVQP-FPYGCLRLSA-N -1 3 350.769 3.044 20 30 FGEDHM C#CCOc1ccc(C(=O)Nc2sc(C)c(CC)c2-c2nnn[n-]2)cc1 ZINC000735380198 599071500 /nfs/dbraw/zinc/07/15/00/599071500.db2.gz DYUFCPXOXUYXSU-UHFFFAOYSA-N -1 3 367.434 3.063 20 30 FGEDHM C#CCOc1ccc(C(=O)Nc2sc(C)c(CC)c2-c2nn[n-]n2)cc1 ZINC000735380198 599071503 /nfs/dbraw/zinc/07/15/03/599071503.db2.gz DYUFCPXOXUYXSU-UHFFFAOYSA-N -1 3 367.434 3.063 20 30 FGEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N[C@@H](C)c1ccc(C#N)cc1 ZINC000737410936 599122465 /nfs/dbraw/zinc/12/24/65/599122465.db2.gz WDZGITRJIZGBSX-ZDUSSCGKSA-N -1 3 355.405 3.190 20 30 FGEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N[C@@H](C)c1ccc(C#N)cc1 ZINC000737410936 599122468 /nfs/dbraw/zinc/12/24/68/599122468.db2.gz WDZGITRJIZGBSX-ZDUSSCGKSA-N -1 3 355.405 3.190 20 30 FGEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N(C)Cc1ccc(C#N)cc1 ZINC000737409450 599121975 /nfs/dbraw/zinc/12/19/75/599121975.db2.gz OIGMZFDMTSMQNM-UHFFFAOYSA-N -1 3 355.405 3.231 20 30 FGEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N(C)Cc1ccc(C#N)cc1 ZINC000737409450 599121978 /nfs/dbraw/zinc/12/19/78/599121978.db2.gz OIGMZFDMTSMQNM-UHFFFAOYSA-N -1 3 355.405 3.231 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)nc2sccn21 ZINC000735451159 599149991 /nfs/dbraw/zinc/14/99/91/599149991.db2.gz QTYQJHYFXZJIEN-UHFFFAOYSA-N -1 3 358.818 3.065 20 30 FGEDHM COc1ccc(C=C2Oc3c(cccc3Cl)C2=O)cc1-c1nnn[n-]1 ZINC000737083093 599156320 /nfs/dbraw/zinc/15/63/20/599156320.db2.gz NAHLUHVBYYCZKY-ZSOIEALJSA-N -1 3 354.753 3.145 20 30 FGEDHM COc1ccc(C=C2Oc3c(cccc3Cl)C2=O)cc1-c1nn[n-]n1 ZINC000737083093 599156323 /nfs/dbraw/zinc/15/63/23/599156323.db2.gz NAHLUHVBYYCZKY-ZSOIEALJSA-N -1 3 354.753 3.145 20 30 FGEDHM Cc1c(C(=O)C=Cc2cccs2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737202799 599157341 /nfs/dbraw/zinc/15/73/41/599157341.db2.gz OFFSFKLIWNGRSB-CMDGGOBGSA-N -1 3 362.418 3.318 20 30 FGEDHM CCCN(Cc1ccc(C#N)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000821109730 607305446 /nfs/dbraw/zinc/30/54/46/607305446.db2.gz NJFHBSSQSNLNOR-UHFFFAOYSA-N -1 3 353.817 3.203 20 30 FGEDHM CCCN(Cc1ccc(C#N)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000821109730 607305447 /nfs/dbraw/zinc/30/54/47/607305447.db2.gz NJFHBSSQSNLNOR-UHFFFAOYSA-N -1 3 353.817 3.203 20 30 FGEDHM CC(C)Cc1ccc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)cc1 ZINC000735850077 598247672 /nfs/dbraw/zinc/24/76/72/598247672.db2.gz ODMOUYFPSOUKGY-UHFFFAOYSA-N -1 3 365.466 3.206 20 30 FGEDHM CC(C)Cc1ccc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)cc1 ZINC000735850077 598247674 /nfs/dbraw/zinc/24/76/74/598247674.db2.gz ODMOUYFPSOUKGY-UHFFFAOYSA-N -1 3 365.466 3.206 20 30 FGEDHM C#Cc1cccc(NC(=S)N(c2cccc(-c3nnn[n-]3)c2)C(C)C)c1 ZINC000735391930 598323182 /nfs/dbraw/zinc/32/31/82/598323182.db2.gz YCCMZZRUFQYPGV-UHFFFAOYSA-N -1 3 362.462 3.460 20 30 FGEDHM C#Cc1cccc(NC(=S)N(c2cccc(-c3nn[n-]n3)c2)C(C)C)c1 ZINC000735391930 598323184 /nfs/dbraw/zinc/32/31/84/598323184.db2.gz YCCMZZRUFQYPGV-UHFFFAOYSA-N -1 3 362.462 3.460 20 30 FGEDHM N#C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1c(Cl)cccc1Cl ZINC000737674315 598383439 /nfs/dbraw/zinc/38/34/39/598383439.db2.gz IXJAPVNPWBURPI-ZDUSSCGKSA-N -1 3 373.203 3.168 20 30 FGEDHM N#C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1c(Cl)cccc1Cl ZINC000737674315 598383440 /nfs/dbraw/zinc/38/34/40/598383440.db2.gz IXJAPVNPWBURPI-ZDUSSCGKSA-N -1 3 373.203 3.168 20 30 FGEDHM CCc1c(C)sc(NC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1C#N ZINC000736671240 598516804 /nfs/dbraw/zinc/51/68/04/598516804.db2.gz VFTJJCCUMNIPJN-CMDGGOBGSA-N -1 3 364.434 3.323 20 30 FGEDHM CCc1c(C)sc(NC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1C#N ZINC000736671240 598516806 /nfs/dbraw/zinc/51/68/06/598516806.db2.gz VFTJJCCUMNIPJN-CMDGGOBGSA-N -1 3 364.434 3.323 20 30 FGEDHM N#C[C@@H](NC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1Cl ZINC000737675508 598537034 /nfs/dbraw/zinc/53/70/34/598537034.db2.gz PGAOHMCAZOENFY-CYBMUJFWSA-N -1 3 373.203 3.168 20 30 FGEDHM N#C[C@@H](NC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1Cl ZINC000737675508 598537036 /nfs/dbraw/zinc/53/70/36/598537036.db2.gz PGAOHMCAZOENFY-CYBMUJFWSA-N -1 3 373.203 3.168 20 30 FGEDHM C=CCN(Cc1ccccc1)C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000735426056 598653521 /nfs/dbraw/zinc/65/35/21/598653521.db2.gz JQDDWXPOURULKE-UHFFFAOYSA-N -1 3 365.462 3.174 20 30 FGEDHM C=CCN(Cc1ccccc1)C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000735426056 598653524 /nfs/dbraw/zinc/65/35/24/598653524.db2.gz JQDDWXPOURULKE-UHFFFAOYSA-N -1 3 365.462 3.174 20 30 FGEDHM C=CCN(CC1CCCCC1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1OC ZINC000735416177 598759988 /nfs/dbraw/zinc/75/99/88/598759988.db2.gz DKJZKNKYYMNVFT-UHFFFAOYSA-N -1 3 370.457 3.476 20 30 FGEDHM C=CCN(CC1CCCCC1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1OC ZINC000735416177 598759990 /nfs/dbraw/zinc/75/99/90/598759990.db2.gz DKJZKNKYYMNVFT-UHFFFAOYSA-N -1 3 370.457 3.476 20 30 FGEDHM COc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737109999 598789117 /nfs/dbraw/zinc/78/91/17/598789117.db2.gz VWQLQNLFVKRFDS-VURMDHGXSA-N -1 3 372.331 3.373 20 30 FGEDHM COc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737109999 598789118 /nfs/dbraw/zinc/78/91/18/598789118.db2.gz VWQLQNLFVKRFDS-VURMDHGXSA-N -1 3 372.331 3.373 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc2nc(C)ccc2o1 ZINC000735419916 598789585 /nfs/dbraw/zinc/78/95/85/598789585.db2.gz KAVWZEMSKRXPRK-UHFFFAOYSA-N -1 3 374.404 3.145 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc2nc(C)ccc2o1 ZINC000735419916 598789587 /nfs/dbraw/zinc/78/95/87/598789587.db2.gz KAVWZEMSKRXPRK-UHFFFAOYSA-N -1 3 374.404 3.145 20 30 FGEDHM CC[C@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1ccc(F)cc1F ZINC000736391823 599518647 /nfs/dbraw/zinc/51/86/47/599518647.db2.gz PGPMIDDSBXJWRC-ZDUSSCGKSA-N -1 3 373.392 3.237 20 30 FGEDHM CC[C@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1ccc(F)cc1F ZINC000736391823 599518649 /nfs/dbraw/zinc/51/86/49/599518649.db2.gz PGPMIDDSBXJWRC-ZDUSSCGKSA-N -1 3 373.392 3.237 20 30 FGEDHM CCCCC(COC)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000736439201 599535611 /nfs/dbraw/zinc/53/56/11/599535611.db2.gz SFXMDCOSAQKSDY-UHFFFAOYSA-N -1 3 356.352 3.490 20 30 FGEDHM CCCCC(COC)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736439201 599535613 /nfs/dbraw/zinc/53/56/13/599535613.db2.gz SFXMDCOSAQKSDY-UHFFFAOYSA-N -1 3 356.352 3.490 20 30 FGEDHM N#Cc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822836966 599634110 /nfs/dbraw/zinc/63/41/10/599634110.db2.gz CDAPSOILOSRUQF-UHFFFAOYSA-N -1 3 358.283 3.009 20 30 FGEDHM N#Cc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822836966 599634111 /nfs/dbraw/zinc/63/41/11/599634111.db2.gz CDAPSOILOSRUQF-UHFFFAOYSA-N -1 3 358.283 3.009 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(C(C)C)nc1 ZINC000819745898 607393255 /nfs/dbraw/zinc/39/32/55/607393255.db2.gz UAGXIBBUSBAGJG-UHFFFAOYSA-N -1 3 362.437 3.214 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(C(C)C)nc1 ZINC000819745898 607393257 /nfs/dbraw/zinc/39/32/57/607393257.db2.gz UAGXIBBUSBAGJG-UHFFFAOYSA-N -1 3 362.437 3.214 20 30 FGEDHM C=CCc1ccc(OC(=O)c2ccc(-c3nnn[n-]3)cc2C)c(OC)c1 ZINC000823937358 607397342 /nfs/dbraw/zinc/39/73/42/607397342.db2.gz UJRFINBDQUNLGK-UHFFFAOYSA-N -1 3 350.378 3.131 20 30 FGEDHM C=CCc1ccc(OC(=O)c2ccc(-c3nn[n-]n3)cc2C)c(OC)c1 ZINC000823937358 607397345 /nfs/dbraw/zinc/39/73/45/607397345.db2.gz UJRFINBDQUNLGK-UHFFFAOYSA-N -1 3 350.378 3.131 20 30 FGEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CC1 ZINC000736094998 599994637 /nfs/dbraw/zinc/99/46/37/599994637.db2.gz CHOZAGMGYNRVKQ-UHFFFAOYSA-N -1 3 351.834 3.200 20 30 FGEDHM N#CCC[C@H](NC(=O)C=Cc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000826381439 607429393 /nfs/dbraw/zinc/42/93/93/607429393.db2.gz LXYNKHFQGVPZLG-HHNLSAEISA-N -1 3 358.405 3.041 20 30 FGEDHM N#CCC[C@H](NC(=O)C=Cc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000826381439 607429394 /nfs/dbraw/zinc/42/93/94/607429394.db2.gz LXYNKHFQGVPZLG-HHNLSAEISA-N -1 3 358.405 3.041 20 30 FGEDHM C#CCN(CCCC(=O)[O-])[C@@H]1CCOc2ccc(Br)cc21 ZINC000736079297 600231418 /nfs/dbraw/zinc/23/14/18/600231418.db2.gz KJTHTXOOUAFCMN-CQSZACIVSA-N -1 3 352.228 3.073 20 30 FGEDHM CC(C)C(=O)Nc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736347725 600592168 /nfs/dbraw/zinc/59/21/68/600592168.db2.gz XNKXAZXUZYMIAL-GOSISDBHSA-N -1 3 351.406 3.068 20 30 FGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1cnn(Cc2ccccc2)c1 ZINC000822924054 607460727 /nfs/dbraw/zinc/46/07/27/607460727.db2.gz WDJHXKIQWAJSDG-HJWRWDBZSA-N -1 3 374.379 3.147 20 30 FGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1cnn(Cc2ccccc2)c1 ZINC000822924054 607460728 /nfs/dbraw/zinc/46/07/28/607460728.db2.gz WDJHXKIQWAJSDG-HJWRWDBZSA-N -1 3 374.379 3.147 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)CC(O)(CCC)CCC ZINC000823910063 607459928 /nfs/dbraw/zinc/45/99/28/607459928.db2.gz WZFUUZYQWLEURC-UHFFFAOYSA-N -1 3 371.485 3.103 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)CC(O)(CCC)CCC ZINC000823910063 607459930 /nfs/dbraw/zinc/45/99/30/607459930.db2.gz WZFUUZYQWLEURC-UHFFFAOYSA-N -1 3 371.485 3.103 20 30 FGEDHM Fc1cc(-c2nnn[n-]2)ccc1CN=Nc1ncnc2c3ccccc3oc21 ZINC000822739751 607463901 /nfs/dbraw/zinc/46/39/01/607463901.db2.gz CIZFTMYGTRIYOX-UHFFFAOYSA-N -1 3 374.339 3.141 20 30 FGEDHM Fc1cc(-c2nn[n-]n2)ccc1CN=Nc1ncnc2c3ccccc3oc21 ZINC000822739751 607463902 /nfs/dbraw/zinc/46/39/02/607463902.db2.gz CIZFTMYGTRIYOX-UHFFFAOYSA-N -1 3 374.339 3.141 20 30 FGEDHM C[C@H](C(=O)[O-])[C@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000826051854 601201481 /nfs/dbraw/zinc/20/14/81/601201481.db2.gz CYPAMHAWIPYBKE-SGTLLEGYSA-N -1 3 371.824 3.202 20 30 FGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)OCC#Cc1cccc(Cl)c1 ZINC000822936972 607504398 /nfs/dbraw/zinc/50/43/98/607504398.db2.gz YHKRJHDPZKDYTP-KHPPLWFESA-N -1 3 364.792 3.128 20 30 FGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)OCC#Cc1cccc(Cl)c1 ZINC000822936972 607504400 /nfs/dbraw/zinc/50/44/00/607504400.db2.gz YHKRJHDPZKDYTP-KHPPLWFESA-N -1 3 364.792 3.128 20 30 FGEDHM Cc1sc(NC(=O)CN[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(C#N)c1C ZINC000833036029 601658558 /nfs/dbraw/zinc/65/85/58/601658558.db2.gz IAZCXFYOZZYRFS-PXAZEXFGSA-N -1 3 371.462 3.227 20 30 FGEDHM Cc1cc(C#N)ccc1C(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826257093 607675535 /nfs/dbraw/zinc/67/55/35/607675535.db2.gz NBZPZXOGHYMQRD-UHFFFAOYSA-N -1 3 360.421 3.350 20 30 FGEDHM Cc1cc(C#N)ccc1C(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826257093 607675537 /nfs/dbraw/zinc/67/55/37/607675537.db2.gz NBZPZXOGHYMQRD-UHFFFAOYSA-N -1 3 360.421 3.350 20 30 FGEDHM CC(C)[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc2cc(Cl)ccc2s1 ZINC000736360561 604373971 /nfs/dbraw/zinc/37/39/71/604373971.db2.gz PZTIQWGZBWMIGL-CABZTGNLSA-N -1 3 351.815 3.418 20 30 FGEDHM N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826380082 607697900 /nfs/dbraw/zinc/69/79/00/607697900.db2.gz MJFDUWMNWXEYDZ-MRXNPFEDSA-N -1 3 369.388 3.103 20 30 FGEDHM N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826380082 607697901 /nfs/dbraw/zinc/69/79/01/607697901.db2.gz MJFDUWMNWXEYDZ-MRXNPFEDSA-N -1 3 369.388 3.103 20 30 FGEDHM CC(C[C@H]1CCOC1)N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820233459 606340454 /nfs/dbraw/zinc/34/04/54/606340454.db2.gz KJSGHZCPVFCLJG-SNVBAGLBSA-N -1 3 354.336 3.100 20 30 FGEDHM CC(C[C@H]1CCOC1)N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820233459 606340455 /nfs/dbraw/zinc/34/04/55/606340455.db2.gz KJSGHZCPVFCLJG-SNVBAGLBSA-N -1 3 354.336 3.100 20 30 FGEDHM C[C@@H](OC(=O)c1cc2ccccc2n1CC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000820507548 606354629 /nfs/dbraw/zinc/35/46/29/606354629.db2.gz HZUWBIMYMOMBKE-CYBMUJFWSA-N -1 3 372.388 3.263 20 30 FGEDHM C[C@@H](OC(=O)c1cc2ccccc2n1CC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000820507548 606354631 /nfs/dbraw/zinc/35/46/31/606354631.db2.gz HZUWBIMYMOMBKE-CYBMUJFWSA-N -1 3 372.388 3.263 20 30 FGEDHM CCCOc1ccc2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)s1)CO2 ZINC000821134491 606390338 /nfs/dbraw/zinc/39/03/38/606390338.db2.gz XLDAZOWNLFLLDB-FLIBITNWSA-N -1 3 368.418 3.376 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1CCOc1cccc(-c2nn[n-]n2)c1 ZINC000822801384 606452227 /nfs/dbraw/zinc/45/22/27/606452227.db2.gz IICKGLIRQGOVFI-UXHICEINSA-N -1 3 374.448 3.017 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cc(-c3nnn[n-]3)cs2)cc1C(F)(F)F ZINC000822829623 606519567 /nfs/dbraw/zinc/51/95/67/606519567.db2.gz ANGUULPGBDNVDP-UHFFFAOYSA-N -1 3 364.312 3.071 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cc(-c3nn[n-]n3)cs2)cc1C(F)(F)F ZINC000822829623 606519569 /nfs/dbraw/zinc/51/95/69/606519569.db2.gz ANGUULPGBDNVDP-UHFFFAOYSA-N -1 3 364.312 3.071 20 30 FGEDHM Clc1cccc(N=C2NN=C(c3ccc(-c4nnn[n-]4)cc3)CS2)c1 ZINC000822586424 606632204 /nfs/dbraw/zinc/63/22/04/606632204.db2.gz YEZNZTNBNREOHI-UHFFFAOYSA-N -1 3 369.841 3.248 20 30 FGEDHM Clc1cccc(N=C2NN=C(c3ccc(-c4nn[n-]n4)cc3)CS2)c1 ZINC000822586424 606632207 /nfs/dbraw/zinc/63/22/07/606632207.db2.gz YEZNZTNBNREOHI-UHFFFAOYSA-N -1 3 369.841 3.248 20 30 FGEDHM O=C(OCC#Cc1ccc(Cl)cc1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000823397023 606750063 /nfs/dbraw/zinc/75/00/63/606750063.db2.gz QRJWDOZSQNHDBY-UHFFFAOYSA-N -1 3 374.734 3.007 20 30 FGEDHM O=C(OCC#Cc1ccc(Cl)cc1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000823397023 606750065 /nfs/dbraw/zinc/75/00/65/606750065.db2.gz QRJWDOZSQNHDBY-UHFFFAOYSA-N -1 3 374.734 3.007 20 30 FGEDHM CN(C(=O)C=Cc1ccccc1C#N)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569747 606962885 /nfs/dbraw/zinc/96/28/85/606962885.db2.gz UNOHJPWGGJGIRF-RMKNXTFCSA-N -1 3 364.796 3.068 20 30 FGEDHM CN(C(=O)C=Cc1ccccc1C#N)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569747 606962888 /nfs/dbraw/zinc/96/28/88/606962888.db2.gz UNOHJPWGGJGIRF-RMKNXTFCSA-N -1 3 364.796 3.068 20 30 FGEDHM CC(C)(C#N)c1ccccc1COC(=O)c1sccc1-c1nnn[n-]1 ZINC000819891975 607154421 /nfs/dbraw/zinc/15/44/21/607154421.db2.gz OFMKZCMJPDNPNV-UHFFFAOYSA-N -1 3 353.407 3.086 20 30 FGEDHM N#Cc1cc(NC(=O)c2ccc(-c3ccco3)s2)ccc1-c1nnn[n-]1 ZINC000822822737 607238599 /nfs/dbraw/zinc/23/85/99/607238599.db2.gz DPRNOOKMMFMMIS-UHFFFAOYSA-N -1 3 362.374 3.312 20 30 FGEDHM N#Cc1cc(NC(=O)c2ccc(-c3ccco3)s2)ccc1-c1nn[n-]n1 ZINC000822822737 607238600 /nfs/dbraw/zinc/23/86/00/607238600.db2.gz DPRNOOKMMFMMIS-UHFFFAOYSA-N -1 3 362.374 3.312 20 30 FGEDHM N#Cc1ccc([C@@H](O)CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826384928 607843098 /nfs/dbraw/zinc/84/30/98/607843098.db2.gz PJPDUZDGOQWYSM-AWEZNQCLSA-N -1 3 357.826 3.217 20 30 FGEDHM N#Cc1ccc([C@@H](O)CSc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826384928 607843099 /nfs/dbraw/zinc/84/30/99/607843099.db2.gz PJPDUZDGOQWYSM-AWEZNQCLSA-N -1 3 357.826 3.217 20 30 FGEDHM N#Cc1ccc(C(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826384258 607844790 /nfs/dbraw/zinc/84/47/90/607844790.db2.gz NNCXTQSXTWSCOS-UHFFFAOYSA-N -1 3 355.810 3.367 20 30 FGEDHM N#Cc1ccc(C(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826384258 607844791 /nfs/dbraw/zinc/84/47/91/607844791.db2.gz NNCXTQSXTWSCOS-UHFFFAOYSA-N -1 3 355.810 3.367 20 30 FGEDHM N#Cc1c(F)cccc1OCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000826383152 607866449 /nfs/dbraw/zinc/86/64/49/607866449.db2.gz NDUZCRVBNBAGGU-UHFFFAOYSA-N -1 3 361.283 3.058 20 30 FGEDHM N#Cc1c(F)cccc1OCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000826383152 607866450 /nfs/dbraw/zinc/86/64/50/607866450.db2.gz NDUZCRVBNBAGGU-UHFFFAOYSA-N -1 3 361.283 3.058 20 30 FGEDHM C=C(C)[C@@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C)OCC ZINC000823873615 607889067 /nfs/dbraw/zinc/88/90/67/607889067.db2.gz OINPBGWCFRJMTK-GOSISDBHSA-N -1 3 371.485 3.223 20 30 FGEDHM C=C(C)[C@@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C)OCC ZINC000823873615 607889068 /nfs/dbraw/zinc/88/90/68/607889068.db2.gz OINPBGWCFRJMTK-GOSISDBHSA-N -1 3 371.485 3.223 20 30 FGEDHM Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000826281274 607915833 /nfs/dbraw/zinc/91/58/33/607915833.db2.gz LIJZOOXCRSHXGR-QPJJXVBHSA-N -1 3 353.313 3.119 20 30 FGEDHM Cc1ccc(C(=O)C=Cc2ccc(F)c(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000826281274 607915834 /nfs/dbraw/zinc/91/58/34/607915834.db2.gz LIJZOOXCRSHXGR-QPJJXVBHSA-N -1 3 353.313 3.119 20 30 FGEDHM C=C[C@H](CC(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000823882969 607980661 /nfs/dbraw/zinc/98/06/61/607980661.db2.gz HFXGVVJYMIXSGW-CYBMUJFWSA-N -1 3 352.369 3.409 20 30 FGEDHM C=C[C@H](CC(=O)OCc1cc(F)ccc1-c1nn[n-]n1)c1ccccc1 ZINC000823882969 607980662 /nfs/dbraw/zinc/98/06/62/607980662.db2.gz HFXGVVJYMIXSGW-CYBMUJFWSA-N -1 3 352.369 3.409 20 30 FGEDHM C=C[C@@H](CC(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000823883674 607981152 /nfs/dbraw/zinc/98/11/52/607981152.db2.gz XFXXTGCLZUUXFB-ZDUSSCGKSA-N -1 3 352.369 3.409 20 30 FGEDHM C=C[C@@H](CC(=O)OCc1cc(-c2nn[n-]n2)ccc1F)c1ccccc1 ZINC000823883674 607981153 /nfs/dbraw/zinc/98/11/53/607981153.db2.gz XFXXTGCLZUUXFB-ZDUSSCGKSA-N -1 3 352.369 3.409 20 30 FGEDHM COc1ccc(CSCc2cc(-c3nnn[n-]3)ccc2OC)cc1C#N ZINC000826208000 607983926 /nfs/dbraw/zinc/98/39/26/607983926.db2.gz OGVSXDIDNWTVEN-UHFFFAOYSA-N -1 3 367.434 3.189 20 30 FGEDHM COc1ccc(CSCc2cc(-c3nn[n-]n3)ccc2OC)cc1C#N ZINC000826208000 607983927 /nfs/dbraw/zinc/98/39/27/607983927.db2.gz OGVSXDIDNWTVEN-UHFFFAOYSA-N -1 3 367.434 3.189 20 30 FGEDHM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826477067 608109506 /nfs/dbraw/zinc/10/95/06/608109506.db2.gz VAVLMYOZCLIZSL-MBBOSUJBSA-N -1 3 368.400 3.214 20 30 FGEDHM O=C1c2cccc3c2[C@@H](CCC3)C1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826477067 608109507 /nfs/dbraw/zinc/10/95/07/608109507.db2.gz VAVLMYOZCLIZSL-MBBOSUJBSA-N -1 3 368.400 3.214 20 30 FGEDHM C#CCN(CC)C(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000823845446 608154009 /nfs/dbraw/zinc/15/40/09/608154009.db2.gz SLLSEGJRPAHNGX-UHFFFAOYSA-N -1 3 363.446 3.113 20 30 FGEDHM C#CCN(CC)C(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000823845446 608154011 /nfs/dbraw/zinc/15/40/11/608154011.db2.gz SLLSEGJRPAHNGX-UHFFFAOYSA-N -1 3 363.446 3.113 20 30 FGEDHM CCOc1ccc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000825632053 608229975 /nfs/dbraw/zinc/22/99/75/608229975.db2.gz KJPSSWJEINIJRQ-VQHVLOKHSA-N -1 3 365.349 3.070 20 30 FGEDHM CCOc1ccc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000825632053 608229977 /nfs/dbraw/zinc/22/99/77/608229977.db2.gz KJPSSWJEINIJRQ-VQHVLOKHSA-N -1 3 365.349 3.070 20 30 FGEDHM COc1cc(-c2nnn[n-]2)ccc1CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000826170903 608321012 /nfs/dbraw/zinc/32/10/12/608321012.db2.gz UIIVWBSSBQMNSH-UHFFFAOYSA-N -1 3 374.326 3.378 20 30 FGEDHM COc1cc(-c2nn[n-]n2)ccc1CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000826170903 608321014 /nfs/dbraw/zinc/32/10/14/608321014.db2.gz UIIVWBSSBQMNSH-UHFFFAOYSA-N -1 3 374.326 3.378 20 30 FGEDHM N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(-c4nnn[n-]4)cc3)CC2)cc1 ZINC000826384865 608469304 /nfs/dbraw/zinc/46/93/04/608469304.db2.gz MQEUVNCXHVUMAA-UHFFFAOYSA-N -1 3 371.404 3.060 20 30 FGEDHM N#Cc1ccc(C2=CCN(C(=O)Nc3ccc(-c4nn[n-]n4)cc3)CC2)cc1 ZINC000826384865 608469305 /nfs/dbraw/zinc/46/93/05/608469305.db2.gz MQEUVNCXHVUMAA-UHFFFAOYSA-N -1 3 371.404 3.060 20 30 FGEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCCCc3ccccc32)n1 ZINC000826350388 608537577 /nfs/dbraw/zinc/53/75/77/608537577.db2.gz UAFWMLNPZQEOLW-UHFFFAOYSA-N -1 3 353.817 3.458 20 30 FGEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCCCc3ccccc32)n1 ZINC000826350388 608537578 /nfs/dbraw/zinc/53/75/78/608537578.db2.gz UAFWMLNPZQEOLW-UHFFFAOYSA-N -1 3 353.817 3.458 20 30 FGEDHM Cc1ccc2c(c1)C(N=Nc1cc(-c3nnn[n-]3)cc(Cl)n1)CCC2 ZINC000826293351 608539053 /nfs/dbraw/zinc/53/90/53/608539053.db2.gz LUWPDSRZQDYWLL-UHFFFAOYSA-N -1 3 353.817 3.376 20 30 FGEDHM Cc1ccc2c(c1)C(N=Nc1cc(-c3nn[n-]n3)cc(Cl)n1)CCC2 ZINC000826293351 608539054 /nfs/dbraw/zinc/53/90/54/608539054.db2.gz LUWPDSRZQDYWLL-UHFFFAOYSA-N -1 3 353.817 3.376 20 30 FGEDHM N#CC1(c2ccc(C(=O)Nc3ccc(Cl)c(-c4nnn[n-]4)c3)cc2)CC1 ZINC000826379838 609158289 /nfs/dbraw/zinc/15/82/89/609158289.db2.gz DRLFAXUWYFZDHI-UHFFFAOYSA-N -1 3 364.796 3.328 20 30 FGEDHM N#CC1(c2ccc(C(=O)Nc3ccc(Cl)c(-c4nn[n-]n4)c3)cc2)CC1 ZINC000826379838 609158290 /nfs/dbraw/zinc/15/82/90/609158290.db2.gz DRLFAXUWYFZDHI-UHFFFAOYSA-N -1 3 364.796 3.328 20 30 FGEDHM N#CC1(c2ccc(C(=O)Nc3ccc(-c4nnn[n-]4)cc3Cl)cc2)CC1 ZINC000826380205 609237528 /nfs/dbraw/zinc/23/75/28/609237528.db2.gz QYUIBXWOYKDGTB-UHFFFAOYSA-N -1 3 364.796 3.328 20 30 FGEDHM N#CC1(c2ccc(C(=O)Nc3ccc(-c4nn[n-]n4)cc3Cl)cc2)CC1 ZINC000826380205 609237529 /nfs/dbraw/zinc/23/75/29/609237529.db2.gz QYUIBXWOYKDGTB-UHFFFAOYSA-N -1 3 364.796 3.328 20 30 FGEDHM C=CCOc1ccccc1C=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000823932114 609272950 /nfs/dbraw/zinc/27/29/50/609272950.db2.gz OXDRZMOENSBIME-NTMALXAHSA-N -1 3 350.353 3.467 20 30 FGEDHM C=CCOc1ccccc1C=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000823932114 609272952 /nfs/dbraw/zinc/27/29/52/609272952.db2.gz OXDRZMOENSBIME-NTMALXAHSA-N -1 3 350.353 3.467 20 30 FGEDHM CC(=NNC(=S)Nc1ccccc1C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953633 609273745 /nfs/dbraw/zinc/27/37/45/609273745.db2.gz JQGLUTGRKMTXAX-UHFFFAOYSA-N -1 3 369.429 3.025 20 30 FGEDHM CC(=NNC(=S)Nc1ccccc1C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953633 609273747 /nfs/dbraw/zinc/27/37/47/609273747.db2.gz JQGLUTGRKMTXAX-UHFFFAOYSA-N -1 3 369.429 3.025 20 30 FGEDHM CC(=NNc1cc(F)c(F)cc1F)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958285 609276988 /nfs/dbraw/zinc/27/69/88/609276988.db2.gz HQTPASILYLJFFR-UHFFFAOYSA-N -1 3 350.279 3.259 20 30 FGEDHM CC(=NNc1cc(F)c(F)cc1F)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958285 609276990 /nfs/dbraw/zinc/27/69/90/609276990.db2.gz HQTPASILYLJFFR-UHFFFAOYSA-N -1 3 350.279 3.259 20 30 FGEDHM Cc1ccc(NN=Cc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826291333 609302389 /nfs/dbraw/zinc/30/23/89/609302389.db2.gz ANZHRPPWGHYFKK-UHFFFAOYSA-N -1 3 358.409 3.022 20 30 FGEDHM Cc1ccc(NN=Cc2cn(C)nc2-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826291333 609302390 /nfs/dbraw/zinc/30/23/90/609302390.db2.gz ANZHRPPWGHYFKK-UHFFFAOYSA-N -1 3 358.409 3.022 20 30 FGEDHM C=CCOc1ccccc1CN[C@H](C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823931878 609334073 /nfs/dbraw/zinc/33/40/73/609334073.db2.gz IRMGYFKEKDRAQW-CYBMUJFWSA-N -1 3 353.401 3.421 20 30 FGEDHM C=CCN(CCc1ccco1)c1nc(C(F)(F)F)ccc1-c1nnn[n-]1 ZINC000823910033 609436661 /nfs/dbraw/zinc/43/66/61/609436661.db2.gz WQIJZJIESFBVDC-UHFFFAOYSA-N -1 3 364.331 3.109 20 30 FGEDHM C=CCN(CCc1ccco1)c1nc(C(F)(F)F)ccc1-c1nn[n-]n1 ZINC000823910033 609436662 /nfs/dbraw/zinc/43/66/62/609436662.db2.gz WQIJZJIESFBVDC-UHFFFAOYSA-N -1 3 364.331 3.109 20 30 FGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826399609 609443028 /nfs/dbraw/zinc/44/30/28/609443028.db2.gz AHJSFLSNRYNTPR-RQOWECAXSA-N -1 3 361.770 3.386 20 30 FGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826399609 609443029 /nfs/dbraw/zinc/44/30/29/609443029.db2.gz AHJSFLSNRYNTPR-RQOWECAXSA-N -1 3 361.770 3.386 20 30 FGEDHM CCCCCCCCc1nnc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)s1 ZINC000825272128 609444027 /nfs/dbraw/zinc/44/40/27/609444027.db2.gz VRIPLTYRDZQMIV-UHFFFAOYSA-N -1 3 374.474 3.202 20 30 FGEDHM CCCCCCCCc1nnc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)s1 ZINC000825272128 609444029 /nfs/dbraw/zinc/44/40/29/609444029.db2.gz VRIPLTYRDZQMIV-UHFFFAOYSA-N -1 3 374.474 3.202 20 30 FGEDHM CC(N=Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H]1CCCOC1 ZINC000823958065 609515993 /nfs/dbraw/zinc/51/59/93/609515993.db2.gz AKGSYGCZXPFCPQ-SNVBAGLBSA-N -1 3 354.336 3.100 20 30 FGEDHM CC(N=Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@@H]1CCCOC1 ZINC000823958065 609515997 /nfs/dbraw/zinc/51/59/97/609515997.db2.gz AKGSYGCZXPFCPQ-SNVBAGLBSA-N -1 3 354.336 3.100 20 30 FGEDHM Cc1sc2[n-]c([C@H](C)OC(=O)c3ccc(C#N)cc3)nc(=O)c2c1C ZINC000004485761 695543581 /nfs/dbraw/zinc/54/35/81/695543581.db2.gz PULHTPGDXAQLLV-JTQLQIEISA-N -1 3 353.403 3.391 20 30 FGEDHM [O-]c1ccc(Br)cc1/C=N/[C@H]1CCCN(c2ncccn2)C1 ZINC000044012268 695799999 /nfs/dbraw/zinc/79/99/99/695799999.db2.gz SBISRCRJPORKSU-ANKPHQHTSA-N -1 3 361.243 3.033 20 30 FGEDHM C#Cc1cccc(NC(=O)CN(C)Cc2cc(Br)ccc2[O-])c1 ZINC000092142683 700432141 /nfs/dbraw/zinc/43/21/41/700432141.db2.gz WUIAKIRSYRCUPZ-UHFFFAOYSA-N -1 3 373.250 3.207 20 30 FGEDHM C#C[C@H](C)OC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000121050354 700664709 /nfs/dbraw/zinc/66/47/09/700664709.db2.gz JZJZSWUWMVVQKY-ZDUSSCGKSA-N -1 3 361.394 3.113 20 30 FGEDHM CSc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000193441897 712891502 /nfs/dbraw/zinc/89/15/02/712891502.db2.gz FYNCFINITHYORV-ZDUSSCGKSA-N -1 3 355.375 3.278 20 30 FGEDHM CN1C(=O)COc2ccc(N=Cc3cc(Br)ccc3[O-])cc21 ZINC000255333952 713691888 /nfs/dbraw/zinc/69/18/88/713691888.db2.gz KUUIBKKYRNRQMU-UHFFFAOYSA-N -1 3 361.195 3.261 20 30 FGEDHM COCCOc1ccccc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000526115514 714407149 /nfs/dbraw/zinc/40/71/49/714407149.db2.gz QDBLSEGDCHVEKN-UHFFFAOYSA-N -1 3 366.826 3.038 20 30 FGEDHM COc1ccc(NN=Cc2cc(OC)c([O-])cc2[N+](=O)[O-])cc1Cl ZINC000782228878 724641020 /nfs/dbraw/zinc/64/10/20/724641020.db2.gz ALAIZEHQGNHTFL-UHFFFAOYSA-N -1 3 351.746 3.417 20 30 FGEDHM O=C1Nc2cccc(Br)c2C1=N[N-]c1cnc2ccccc2n1 ZINC000727256583 722442688 /nfs/dbraw/zinc/44/26/88/722442688.db2.gz QRKNQGCGIFPBEL-UHFFFAOYSA-N -1 3 368.194 3.161 20 30 FGEDHM C#Cc1ccc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)cn1 ZINC000729031532 722456596 /nfs/dbraw/zinc/45/65/96/722456596.db2.gz KZKHIKCGIQEYIC-SNVBAGLBSA-N -1 3 353.403 3.308 20 30 FGEDHM Cc1cc(C(C#N)=C([O-])c2cc(Cl)nc(N3CCCC3)c2)nc(C)n1 ZINC000733054163 722491763 /nfs/dbraw/zinc/49/17/63/722491763.db2.gz ZGHNVBJBUJSNFA-AWEZNQCLSA-N -1 3 355.829 3.232 20 30 FGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCCN(c3ccccc3Cl)C2)c1[O-] ZINC000741466456 722546151 /nfs/dbraw/zinc/54/61/51/722546151.db2.gz RQMXBYJKLVAEGJ-WPZNHYQYSA-N -1 3 359.857 3.329 20 30 FGEDHM C/C(C=N[N-]S(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)=C\c1ccccc1 ZINC000746491761 722604867 /nfs/dbraw/zinc/60/48/67/722604867.db2.gz LQDWTZVXYNZOFK-LIVPTCIVSA-N -1 3 359.407 3.104 20 30 FGEDHM O=C([N-][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C(F)(F)C(F)F ZINC000749392119 722727143 /nfs/dbraw/zinc/72/71/43/722727143.db2.gz RHNVELDSRZZQHH-LLVKDONJSA-N -1 3 372.284 3.296 20 30 FGEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000790327465 723127158 /nfs/dbraw/zinc/12/71/58/723127158.db2.gz IWSQMSFCVYTSKR-SECBINFHSA-N -1 3 350.665 3.183 20 30 FGEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)c(Br)n1 ZINC000775060473 723957184 /nfs/dbraw/zinc/95/71/84/723957184.db2.gz KNWQLSWGLWPPQD-UHFFFAOYSA-N -1 3 366.240 3.133 20 30 FGEDHM CCCCCCCS(=O)(=O)[N-]c1nc2c(cccc2C(=O)OC)[nH]1 ZINC000799643510 724074012 /nfs/dbraw/zinc/07/40/12/724074012.db2.gz JUZCTBLOPYEIAE-UHFFFAOYSA-N -1 3 353.444 3.062 20 30 FGEDHM COc1cc(C#N)ccc1OCCOC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000805483026 725074655 /nfs/dbraw/zinc/07/46/55/725074655.db2.gz NDSQXGPZQDCGCC-UHFFFAOYSA-N -1 3 365.744 3.301 20 30 FGEDHM COC[C@H]([N-]S(=O)(=O)c1cccc(F)c1C#N)c1cccc(Cl)c1 ZINC000808353814 725196295 /nfs/dbraw/zinc/19/62/95/725196295.db2.gz FKXVBRQTCRALIK-HNNXBMFYSA-N -1 3 368.817 3.017 20 30 FGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cnn(CCF)c1 ZINC000808978694 725221881 /nfs/dbraw/zinc/22/18/81/725221881.db2.gz ADGZZZYSDQNQSB-LLVKDONJSA-N -1 3 369.183 3.121 20 30 FGEDHM CSc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811188799 725349715 /nfs/dbraw/zinc/34/97/15/725349715.db2.gz XYODERVXDASEBG-NSHDSACASA-N -1 3 356.403 3.170 20 30 FGEDHM O=C(C=Cc1cc(-n2ccnc2)cs1)c1ccc(-c2nnn[n-]2)s1 ZINC000826400201 729408019 /nfs/dbraw/zinc/40/80/19/729408019.db2.gz RWLHZQRAECGXGO-UPHRSURJSA-N -1 3 354.420 3.072 20 30 FGEDHM C#C[C@@H]([N-]C(=O)C(F)(F)C1CCOCC1)c1ccc(Br)cc1 ZINC000833226528 729743513 /nfs/dbraw/zinc/74/35/13/729743513.db2.gz ZVVOPXRTZXOOQX-CQSZACIVSA-N -1 3 372.209 3.302 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC000844813932 730772843 /nfs/dbraw/zinc/77/28/43/730772843.db2.gz HCBWAEYZXLOCLG-IAGOWNOFSA-N -1 3 353.825 3.029 20 30 FGEDHM C=C(C)CO[N-]C(=O)CCc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000846540319 730962286 /nfs/dbraw/zinc/96/22/86/730962286.db2.gz QIZLPORFSMIDOO-LLVKDONJSA-N -1 3 361.467 3.078 20 30 FGEDHM N#CC(=C([O-])c1cc(Cl)nc(C2CC2)c1)c1nnc2n1CCCCC2 ZINC000847627732 731072029 /nfs/dbraw/zinc/07/20/29/731072029.db2.gz BBZGTPUGEUFRHL-CYBMUJFWSA-N -1 3 355.829 3.420 20 30 FGEDHM CCn1ncc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1C ZINC000870144132 733816501 /nfs/dbraw/zinc/81/65/01/733816501.db2.gz ZNGJLFREOACEPT-LLVKDONJSA-N -1 3 365.220 3.479 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC[C@](C)(C(F)(F)F)C1 ZINC000874484975 735877583 /nfs/dbraw/zinc/87/75/83/735877583.db2.gz HWORUZKLEUIHDD-INIZCTEOSA-N -1 3 355.360 3.009 20 30 FGEDHM C#CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(Br)cc1[O-] ZINC000877850429 736735405 /nfs/dbraw/zinc/73/54/05/736735405.db2.gz SNTOYQKLGPEBNT-INIZCTEOSA-N -1 3 357.207 3.354 20 30 FGEDHM CS(=O)(=O)c1ccc(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)cc1 ZINC000900096380 743063481 /nfs/dbraw/zinc/06/34/81/743063481.db2.gz BNQFZMFKCCRDHL-UHFFFAOYSA-N -1 3 374.245 3.429 20 30 FGEDHM Cc1nsc([N-]C(=O)c2nc(C3CC3)ncc2Br)c1C#N ZINC000905033645 743989204 /nfs/dbraw/zinc/98/92/04/743989204.db2.gz DWYOWZLUFBIIAT-UHFFFAOYSA-N -1 3 364.228 3.005 20 30 FGEDHM N#CCCSc1ccccc1[N-]C(=O)c1coc2c1C(=O)NCCC2 ZINC000906617248 744149239 /nfs/dbraw/zinc/14/92/39/744149239.db2.gz ONAYFLCEBHVFRG-UHFFFAOYSA-N -1 3 355.419 3.214 20 30 FGEDHM COc1cc(CN=Nc2nnc(-c3ccccc3)n2C)cc(Cl)c1[O-] ZINC000915969870 758013613 /nfs/dbraw/zinc/01/36/13/758013613.db2.gz ZLJGQTUMWPOJJA-UHFFFAOYSA-N -1 3 357.801 3.296 20 30 FGEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)Cc2ccc(Br)cc2)c1[O-] ZINC000915978112 758015045 /nfs/dbraw/zinc/01/50/45/758015045.db2.gz BDCHQAWEKDTNDL-FBRGWYAUSA-N -1 3 363.255 3.401 20 30 FGEDHM COc1ccccc1C1N=NC(=S)N1N=Cc1cc(Cl)ccc1[O-] ZINC000916278020 758060921 /nfs/dbraw/zinc/06/09/21/758060921.db2.gz YQKFQBCMWXSTDG-UHFFFAOYSA-N -1 3 360.826 3.484 20 30 FGEDHM CCOc1cc(C=NN2C(=S)N=NC2[C@@H]2CCCO2)cc(Cl)c1[O-] ZINC000916367004 758074966 /nfs/dbraw/zinc/07/49/66/758074966.db2.gz POMLMMTZUDWVHE-NSHDSACASA-N -1 3 368.846 3.058 20 30 FGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)CCCCCC)ccc1F ZINC000918008127 758297847 /nfs/dbraw/zinc/29/78/47/758297847.db2.gz CXAPUPPSUQSUQH-CQSZACIVSA-N -1 3 370.490 3.379 20 30 FGEDHM S=c1[n-]nc([C@H]2COc3ccccc3O2)n1N=CC=Cc1ccco1 ZINC000920366547 758543644 /nfs/dbraw/zinc/54/36/44/758543644.db2.gz UWJQAPRGZIXHAJ-HOGAYOGCSA-N -1 3 354.391 3.220 20 30 FGEDHM CC(C)c1ccc(C=N[N-]S(=O)(=O)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000920384215 758546412 /nfs/dbraw/zinc/54/64/12/758546412.db2.gz WXQCVJLTHQQFCJ-UHFFFAOYSA-N -1 3 361.423 3.172 20 30 FGEDHM C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c([O-])cccc1F ZINC000928710712 760243076 /nfs/dbraw/zinc/24/30/76/760243076.db2.gz WDUQWLIVWVAXSG-ZDUSSCGKSA-N -1 3 372.824 3.183 20 30 FGEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N(C)CCC#N)c2)cc1 ZINC000069648988 221326906 /nfs/dbraw/zinc/32/69/06/221326906.db2.gz YSVRKYXXUUJRAP-UHFFFAOYSA-N -1 3 371.462 3.090 20 30 FGEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000571131201 505660082 /nfs/dbraw/zinc/66/00/82/505660082.db2.gz FXXBQDNALRKXAX-UHFFFAOYSA-N -1 3 372.343 3.237 20 30 FGEDHM C=CCSCC[N-]S(=O)(=O)c1cc(C)c(Br)s1 ZINC000081038770 493819535 /nfs/dbraw/zinc/81/95/35/493819535.db2.gz YFGMNSGENBMEMS-UHFFFAOYSA-N -1 3 356.332 3.017 20 30 FGEDHM Cc1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c([O-])c1C ZINC000048477181 493832423 /nfs/dbraw/zinc/83/24/23/493832423.db2.gz XTPIRMLZMYQRHZ-UHFFFAOYSA-N -1 3 363.461 3.229 20 30 FGEDHM CCOc1cccc([C@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1 ZINC000068747450 493867095 /nfs/dbraw/zinc/86/70/95/493867095.db2.gz COQPIKRWWYLRDB-AWEZNQCLSA-N -1 3 367.449 3.072 20 30 FGEDHM CC(=O)c1cc(C([O-])=C(C#N)c2nc3ccccc3n2C(F)F)n(C)c1 ZINC000051655646 493981127 /nfs/dbraw/zinc/98/11/27/493981127.db2.gz LMFABHKFWGDJBV-LBPRGKRZSA-N -1 3 356.332 3.463 20 30 FGEDHM CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2nnc(-c3ccccn3)[n-]2)c1 ZINC000063244095 494034738 /nfs/dbraw/zinc/03/47/38/494034738.db2.gz QVFYXWZVRVUUSJ-LBPRGKRZSA-N -1 3 351.366 3.125 20 30 FGEDHM CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2nc(-c3ccccn3)n[n-]2)c1 ZINC000063244095 494034743 /nfs/dbraw/zinc/03/47/43/494034743.db2.gz QVFYXWZVRVUUSJ-LBPRGKRZSA-N -1 3 351.366 3.125 20 30 FGEDHM CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2n[n-]c(-c3ccccn3)n2)c1 ZINC000063244095 494034746 /nfs/dbraw/zinc/03/47/46/494034746.db2.gz QVFYXWZVRVUUSJ-LBPRGKRZSA-N -1 3 351.366 3.125 20 30 FGEDHM COCCOc1ccc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)cc1C ZINC000063878486 494095948 /nfs/dbraw/zinc/09/59/48/494095948.db2.gz MHNQFPDREIASHC-UHFFFAOYSA-N -1 3 360.435 3.001 20 30 FGEDHM Cc1sc(=O)n(CCC(=O)Nc2n[n-]c(-c3ccccc3F)n2)c1C ZINC000077614028 494125950 /nfs/dbraw/zinc/12/59/50/494125950.db2.gz MCLVHZWTCSZERK-UHFFFAOYSA-N -1 3 361.402 3.129 20 30 FGEDHM COc1cccc(CO[C@@H](C)C(=O)Nc2nnc(-c3ccccn3)[n-]2)c1 ZINC000053527499 494142486 /nfs/dbraw/zinc/14/24/86/494142486.db2.gz RMRMBECOKMXZDL-LBPRGKRZSA-N -1 3 353.382 3.069 20 30 FGEDHM COc1cccc(CO[C@@H](C)C(=O)Nc2nc(-c3ccccn3)n[n-]2)c1 ZINC000053527499 494142488 /nfs/dbraw/zinc/14/24/88/494142488.db2.gz RMRMBECOKMXZDL-LBPRGKRZSA-N -1 3 353.382 3.069 20 30 FGEDHM COc1cccc(CO[C@@H](C)C(=O)Nc2n[n-]c(-c3ccccn3)n2)c1 ZINC000053527499 494142489 /nfs/dbraw/zinc/14/24/89/494142489.db2.gz RMRMBECOKMXZDL-LBPRGKRZSA-N -1 3 353.382 3.069 20 30 FGEDHM Cc1nc(S(=O)(=O)Cc2ccc(C#N)cc2)[n-]c1Cc1ccccc1 ZINC000072689031 494234048 /nfs/dbraw/zinc/23/40/48/494234048.db2.gz YRDJUQNHKNIJTK-UHFFFAOYSA-N -1 3 351.431 3.155 20 30 FGEDHM Cc1[n-]c(S(=O)(=O)Cc2ccc(C#N)cc2)nc1Cc1ccccc1 ZINC000072689031 494234051 /nfs/dbraw/zinc/23/40/51/494234051.db2.gz YRDJUQNHKNIJTK-UHFFFAOYSA-N -1 3 351.431 3.155 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)C[C@H](C)c1ccccc1 ZINC000066459572 494339048 /nfs/dbraw/zinc/33/90/48/494339048.db2.gz UFAOJHZSGRPJHZ-AWEZNQCLSA-N -1 3 351.450 3.058 20 30 FGEDHM N#Cc1ccc(OC(F)F)c([N-]C(=O)c2cc(-c3ccccn3)no2)c1 ZINC000073351758 494362078 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CC[C@@](C)([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1nccs1 ZINC000151467438 495849468 /nfs/dbraw/zinc/84/94/68/495849468.db2.gz AEBMFEALLDHMHN-CQSZACIVSA-N -1 3 355.872 3.272 20 30 FGEDHM C[C@@H](CC(=O)c1ccccc1)[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000180171121 495890725 /nfs/dbraw/zinc/89/07/25/495890725.db2.gz KXUGFWXVDPKRHK-LBPRGKRZSA-N -1 3 362.838 3.151 20 30 FGEDHM N#Cc1cccc(CC[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000568971444 505821532 /nfs/dbraw/zinc/82/15/32/505821532.db2.gz ZTKKGPGBIJIZJA-UHFFFAOYSA-N -1 3 372.343 3.237 20 30 FGEDHM C=C(C)CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000160972118 496077868 /nfs/dbraw/zinc/07/78/68/496077868.db2.gz RQKDRQPEZBWXOL-UHFFFAOYSA-N -1 3 362.426 3.241 20 30 FGEDHM N#Cc1ccccc1-c1ccc(CNC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000180710789 496113463 /nfs/dbraw/zinc/11/34/63/496113463.db2.gz JJDWEBBSERAJBI-UHFFFAOYSA-N -1 3 353.385 3.427 20 30 FGEDHM Cc1csc(C2([N-]S(=O)(=O)c3cc(C#N)ccc3C)CCCC2)n1 ZINC000172180434 496197011 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3.318 20 30 FGEDHM Cc1cnc([C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C2CC2)s1 ZINC000184930309 496590039 /nfs/dbraw/zinc/59/00/39/496590039.db2.gz NDKLRWWLKLRMCQ-CQSZACIVSA-N -1 3 367.883 3.406 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cccc(CN3CCCCC3)c2)cc1 ZINC000153850047 496601200 /nfs/dbraw/zinc/60/12/00/496601200.db2.gz LOIQNBWZOSSXMH-UHFFFAOYSA-N -1 3 355.463 3.345 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCc2cc(Cl)ccc2C1 ZINC000191490012 496780682 /nfs/dbraw/zinc/78/06/82/496780682.db2.gz SHMUMYIVAWSYJS-UHFFFAOYSA-N -1 3 369.852 3.034 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1ccccn1)C(C)(C)C ZINC000191706077 496860175 /nfs/dbraw/zinc/86/01/75/496860175.db2.gz HJLJMXROPFALIY-UHFFFAOYSA-N -1 3 366.465 3.018 20 30 FGEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)Cc2ccccc2Br)C1 ZINC000581035156 505895128 /nfs/dbraw/zinc/89/51/28/505895128.db2.gz WYAOTJKEGQCAKY-WFASDCNBSA-N -1 3 371.300 3.341 20 30 FGEDHM CC[C@@H]1Oc2cc([C@H](C)/N=C/c3ccc(O)c([O-])c3O)ccc2NC1=O ZINC000266779748 497418485 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CC1(C)CN(C(=O)NCc2nnc(C(F)(F)F)[n-]2)CC[C@@H]1C(F)(F)F ZINC000331091867 498251133 /nfs/dbraw/zinc/25/11/33/498251133.db2.gz XBFYRAHOESWYPU-ZETCQYMHSA-N -1 3 373.301 3.148 20 30 FGEDHM CC1(C)CN(C(=O)NCc2n[n-]c(C(F)(F)F)n2)CC[C@@H]1C(F)(F)F ZINC000331091867 498251139 /nfs/dbraw/zinc/25/11/39/498251139.db2.gz XBFYRAHOESWYPU-ZETCQYMHSA-N -1 3 373.301 3.148 20 30 FGEDHM CC1(C)CN(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC[C@@H]1C(F)(F)F ZINC000331091867 498251142 /nfs/dbraw/zinc/25/11/42/498251142.db2.gz XBFYRAHOESWYPU-ZETCQYMHSA-N -1 3 373.301 3.148 20 30 FGEDHM CC[C@@](C)(C#N)c1nc(Cc2nc(=O)c3c(C4CC4)csc3[n-]2)no1 ZINC000290009001 498392261 /nfs/dbraw/zinc/39/22/61/498392261.db2.gz GGGHCAUHSRXRFW-KRWDZBQOSA-N -1 3 355.423 3.439 20 30 FGEDHM CN(C)c1cc(F)c(C(=O)[N-]c2sc3c(c2C#N)CCC3)cc1[N+](=O)[O-] ZINC000297936360 498614341 /nfs/dbraw/zinc/61/43/41/498614341.db2.gz STDMXFWEAVHPSI-UHFFFAOYSA-N -1 3 374.397 3.474 20 30 FGEDHM Cc1ncc(CO)c(/C=N/[C@H]2c3ccccc3CC23CCOCC3)c1[O-] ZINC000290647733 498632066 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/nfs/dbraw/zinc/25/02/64/505250264.db2.gz QNGMLAXBTUMMSL-UHFFFAOYSA-N -1 3 369.229 3.026 20 30 FGEDHM N#Cc1c(Br)cccc1NCCCNC(=O)c1cccc([O-])c1 ZINC000555134786 505360617 /nfs/dbraw/zinc/36/06/17/505360617.db2.gz KLDMJUGAURCGRB-UHFFFAOYSA-N -1 3 374.238 3.258 20 30 FGEDHM CCC[C@H](C#N)[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000564261257 505366121 /nfs/dbraw/zinc/36/61/21/505366121.db2.gz LYIIOUJCRUKVTO-MRVPVSSYSA-N -1 3 351.653 3.073 20 30 FGEDHM Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(C#N)cc2Cl)nc1 ZINC000599411684 506444814 /nfs/dbraw/zinc/44/48/14/506444814.db2.gz BZNVQKANPMLFGW-UHFFFAOYSA-N -1 3 363.870 3.171 20 30 FGEDHM N#Cc1cccc(C(=O)N=c2cc(-c3cc(Cl)cc(Cl)c3)[n-][nH]2)n1 ZINC000589368395 506531476 /nfs/dbraw/zinc/53/14/76/506531476.db2.gz CJFKUWXBIMBDTE-UHFFFAOYSA-N -1 3 358.188 3.324 20 30 FGEDHM CC(C)COc1cccc(C[N-]S(=O)(=O)c2ccsc2C#N)c1 ZINC000593534463 506675483 /nfs/dbraw/zinc/67/54/83/506675483.db2.gz ARWJRVMPJBAJNL-UHFFFAOYSA-N -1 3 350.465 3.133 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc([C@H]2C[C@@H]2C)o1 ZINC000603971967 506676340 /nfs/dbraw/zinc/67/63/40/506676340.db2.gz YQNNNFJPKUTUFA-ZBEGNZNMSA-N -1 3 353.422 3.241 20 30 FGEDHM Cc1cccc([O-])c1C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 ZINC000599857149 506681595 /nfs/dbraw/zinc/68/15/95/506681595.db2.gz GITAHTBIFUTSGH-QGZVFWFLSA-N -1 3 369.852 3.377 20 30 FGEDHM CSc1ccc([O-])c(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000597624201 507036502 /nfs/dbraw/zinc/03/65/02/507036502.db2.gz SADZEEAJQGWDKM-UHFFFAOYSA-N -1 3 353.447 3.207 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Br)c(F)c1 ZINC000610057227 507084223 /nfs/dbraw/zinc/08/42/23/507084223.db2.gz HPESJCFOTQOGPP-UHFFFAOYSA-N -1 3 373.178 3.400 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ccc(C(F)(F)F)cc2)c(F)c1 ZINC000610082207 507094053 /nfs/dbraw/zinc/09/40/53/507094053.db2.gz NYRJIHSAPJODJK-UHFFFAOYSA-N -1 3 358.316 3.195 20 30 FGEDHM CC(C)Oc1ccc(CC[N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000610082313 507094068 /nfs/dbraw/zinc/09/40/68/507094068.db2.gz HYHBLMDBBHWOHK-UHFFFAOYSA-N -1 3 362.426 3.006 20 30 FGEDHM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)cc1C ZINC000610339329 507200230 /nfs/dbraw/zinc/20/02/30/507200230.db2.gz QHKAISIDOOUPQU-ZDUSSCGKSA-N -1 3 359.407 3.123 20 30 FGEDHM COCCN(CCC#N)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000610391821 507224461 /nfs/dbraw/zinc/22/44/61/507224461.db2.gz TXUKZLKYZFPCPO-UHFFFAOYSA-N -1 3 358.423 3.019 20 30 FGEDHM N#Cc1cccc(C(=O)Nc2cc(I)ccc2[O-])c1 ZINC000610485884 507258088 /nfs/dbraw/zinc/25/80/88/507258088.db2.gz HFLVJDHEJGUXFR-UHFFFAOYSA-N -1 3 364.142 3.121 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H](CCO)C(C)(C)C ZINC000594762312 507271255 /nfs/dbraw/zinc/27/12/55/507271255.db2.gz OTZPIKCYRDFQPR-HNNXBMFYSA-N -1 3 366.508 3.157 20 30 FGEDHM CO[C@H]([C@H](C)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)C1CC1 ZINC000594780487 507279026 /nfs/dbraw/zinc/27/90/26/507279026.db2.gz PHOMYEJFKMZJPI-MEDUHNTESA-N -1 3 364.492 3.173 20 30 FGEDHM Cc1cccc2c1CCC[C@@H]2[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000595396878 507480574 /nfs/dbraw/zinc/48/05/74/507480574.db2.gz ZCJUSAVKPHKIBR-INIZCTEOSA-N -1 3 371.418 3.131 20 30 FGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@H]1COc2c1cccc2Cl ZINC000611026163 507486692 /nfs/dbraw/zinc/48/66/92/507486692.db2.gz GOHVJXQJCJJZBT-ZDUSSCGKSA-N -1 3 369.229 3.277 20 30 FGEDHM CCOc1cc(C(=O)[N-]c2nc(C)cc(C)c2C#N)c([N+](=O)[O-])cc1OC ZINC000598855501 507640540 /nfs/dbraw/zinc/64/05/40/507640540.db2.gz YCVAHZMKGILRRT-UHFFFAOYSA-N -1 3 370.365 3.138 20 30 FGEDHM CCCCN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)c1ccccn1 ZINC000602405338 507697323 /nfs/dbraw/zinc/69/73/23/507697323.db2.gz TYAGHGNKWHZZSW-UHFFFAOYSA-N -1 3 352.438 3.437 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2COc3c2cccc3Cl)c(Cl)c1 ZINC000611539805 507727839 /nfs/dbraw/zinc/72/78/39/507727839.db2.gz UQMSQQQMUVONKB-CYBMUJFWSA-N -1 3 369.229 3.277 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000735420720 598853612 /nfs/dbraw/zinc/85/36/12/598853612.db2.gz RAIRUWWRAMCRMC-HDMKZQKVSA-N -1 3 368.485 3.389 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000735420720 598853613 /nfs/dbraw/zinc/85/36/13/598853613.db2.gz RAIRUWWRAMCRMC-HDMKZQKVSA-N -1 3 368.485 3.389 20 30 FGEDHM N#Cc1ccc(NC(=O)c2ccc(OC3CCCC3)cc2)cc1-c1nnn[n-]1 ZINC000737717980 598914307 /nfs/dbraw/zinc/91/43/07/598914307.db2.gz CXBAJQOIESAXTP-UHFFFAOYSA-N -1 3 374.404 3.312 20 30 FGEDHM N#Cc1ccc(NC(=O)c2ccc(OC3CCCC3)cc2)cc1-c1nn[n-]n1 ZINC000737717980 598914309 /nfs/dbraw/zinc/91/43/09/598914309.db2.gz CXBAJQOIESAXTP-UHFFFAOYSA-N -1 3 374.404 3.312 20 30 FGEDHM N#Cc1ccc(NC(=O)CCc2ccc(Cl)s2)cc1-c1nnn[n-]1 ZINC000737716242 598915564 /nfs/dbraw/zinc/91/55/64/598915564.db2.gz NMFPSDACBMUAGC-UHFFFAOYSA-N -1 3 358.814 3.025 20 30 FGEDHM N#Cc1ccc(NC(=O)CCc2ccc(Cl)s2)cc1-c1nn[n-]n1 ZINC000737716242 598915566 /nfs/dbraw/zinc/91/55/66/598915566.db2.gz NMFPSDACBMUAGC-UHFFFAOYSA-N -1 3 358.814 3.025 20 30 FGEDHM CCCCc1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736465204 598919529 /nfs/dbraw/zinc/91/95/29/598919529.db2.gz CFWNDWYEWITXGP-UHFFFAOYSA-N -1 3 360.421 3.262 20 30 FGEDHM CCCCc1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736465204 598919530 /nfs/dbraw/zinc/91/95/30/598919530.db2.gz CFWNDWYEWITXGP-UHFFFAOYSA-N -1 3 360.421 3.262 20 30 FGEDHM O=C(C=Cc1nccn1Cc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737806471 598926247 /nfs/dbraw/zinc/92/62/47/598926247.db2.gz HNFMUAVXSZBERL-KHPPLWFESA-N -1 3 356.389 3.008 20 30 FGEDHM O=C(C=Cc1nccn1Cc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737806471 598926248 /nfs/dbraw/zinc/92/62/48/598926248.db2.gz HNFMUAVXSZBERL-KHPPLWFESA-N -1 3 356.389 3.008 20 30 FGEDHM N#Cc1ccc(NCCOc2ccc(-c3nn[n-]n3)cc2)c(C(F)(F)F)c1 ZINC000822830211 599049050 /nfs/dbraw/zinc/04/90/50/599049050.db2.gz XGCWRGXNMTVQSS-UHFFFAOYSA-N -1 3 374.326 3.248 20 30 FGEDHM O=C(C=Cc1ccc(OCC(F)F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000737797621 599156193 /nfs/dbraw/zinc/15/61/93/599156193.db2.gz RDAWXZHOTLUTOT-TWGQIWQCSA-N -1 3 356.332 3.407 20 30 FGEDHM O=C(C=Cc1ccc(OCC(F)F)cc1)c1cccc(-c2nn[n-]n2)c1 ZINC000737797621 599156196 /nfs/dbraw/zinc/15/61/96/599156196.db2.gz RDAWXZHOTLUTOT-TWGQIWQCSA-N -1 3 356.332 3.407 20 30 FGEDHM C#CCCNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000735375175 599193914 /nfs/dbraw/zinc/19/39/14/599193914.db2.gz VHPDUHMWGSCWKQ-UHFFFAOYSA-N -1 3 367.796 3.066 20 30 FGEDHM N#Cc1ccc(NC(=O)C(F)(F)c2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000737717712 599195685 /nfs/dbraw/zinc/19/56/85/599195685.db2.gz IONWLWPQJXWHMP-UHFFFAOYSA-N -1 3 374.738 3.122 20 30 FGEDHM N#Cc1ccc(NC(=O)C(F)(F)c2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000737717712 599195687 /nfs/dbraw/zinc/19/56/87/599195687.db2.gz IONWLWPQJXWHMP-UHFFFAOYSA-N -1 3 374.738 3.122 20 30 FGEDHM C[C@H](C#N)OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735504877 599215530 /nfs/dbraw/zinc/21/55/30/599215530.db2.gz OLUSGYMMRYPGNC-SNVBAGLBSA-N -1 3 369.768 3.381 20 30 FGEDHM C[C@H](C#N)OC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735504877 599215532 /nfs/dbraw/zinc/21/55/32/599215532.db2.gz OLUSGYMMRYPGNC-SNVBAGLBSA-N -1 3 369.768 3.381 20 30 FGEDHM C=CCN(C(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1)C(C)C ZINC000735416170 598540146 /nfs/dbraw/zinc/54/01/46/598540146.db2.gz DFEXKJAXDRZXCH-UHFFFAOYSA-N -1 3 367.409 3.075 20 30 FGEDHM C#Cc1cccc(N(Cc2ccco2)C(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000735390641 598591458 /nfs/dbraw/zinc/59/14/58/598591458.db2.gz AEWFLSHNPOBFPW-UHFFFAOYSA-N -1 3 369.384 3.288 20 30 FGEDHM C#Cc1cccc(N(Cc2ccco2)C(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000735390641 598591460 /nfs/dbraw/zinc/59/14/60/598591460.db2.gz AEWFLSHNPOBFPW-UHFFFAOYSA-N -1 3 369.384 3.288 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(F)c(F)c(F)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201392 598639043 /nfs/dbraw/zinc/63/90/43/598639043.db2.gz DOQMJNGHSHWQRM-SNAWJCMRSA-N -1 3 373.338 3.236 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(F)c(F)c(F)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201392 598639045 /nfs/dbraw/zinc/63/90/45/598639045.db2.gz DOQMJNGHSHWQRM-SNAWJCMRSA-N -1 3 373.338 3.236 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1CCc2ccccc21 ZINC000735418548 598789557 /nfs/dbraw/zinc/78/95/57/598789557.db2.gz FEMRCTISMHVVOJ-IBGZPJMESA-N -1 3 359.433 3.111 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1CCc2ccccc21 ZINC000735418548 598789559 /nfs/dbraw/zinc/78/95/59/598789559.db2.gz FEMRCTISMHVVOJ-IBGZPJMESA-N -1 3 359.433 3.111 20 30 FGEDHM COc1ccc(C#N)cc1CSCc1ccc(F)cc1-c1nnn[n-]1 ZINC000821769503 607368267 /nfs/dbraw/zinc/36/82/67/607368267.db2.gz IHGTZWDKSFHDFA-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM COc1ccc(C#N)cc1CSCc1ccc(F)cc1-c1nn[n-]n1 ZINC000821769503 607368268 /nfs/dbraw/zinc/36/82/68/607368268.db2.gz IHGTZWDKSFHDFA-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM Cc1c2ccccc2oc1C(=O)C=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737203530 599461003 /nfs/dbraw/zinc/46/10/03/599461003.db2.gz VGTUQSZUMLWEAY-FPLPWBNLSA-N -1 3 370.372 3.465 20 30 FGEDHM Cc1c2ccccc2oc1C(=O)C=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737203530 599461007 /nfs/dbraw/zinc/46/10/07/599461007.db2.gz VGTUQSZUMLWEAY-FPLPWBNLSA-N -1 3 370.372 3.465 20 30 FGEDHM C=CCN(Cc1cccs1)C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000819745892 599475253 /nfs/dbraw/zinc/47/52/53/599475253.db2.gz TVWOHTORUVUWBC-CYBMUJFWSA-N -1 3 368.466 3.387 20 30 FGEDHM C=CCN(Cc1cccs1)C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000819745892 599475256 /nfs/dbraw/zinc/47/52/56/599475256.db2.gz TVWOHTORUVUWBC-CYBMUJFWSA-N -1 3 368.466 3.387 20 30 FGEDHM N#CC(C(=O)c1ccc(OCC(=O)[O-])cc1)c1nc2cc(F)ccc2s1 ZINC000739074326 600127182 /nfs/dbraw/zinc/12/71/82/600127182.db2.gz IDRPFMCTNZJMMV-CYBMUJFWSA-N -1 3 370.361 3.389 20 30 FGEDHM Cc1cc(C#N)ccc1C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCC2 ZINC000826256796 607428821 /nfs/dbraw/zinc/42/88/21/607428821.db2.gz AJULXPBYYMAYCU-UHFFFAOYSA-N -1 3 364.434 3.239 20 30 FGEDHM Cc1cc(C#N)ccc1C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCC2 ZINC000826256796 607428822 /nfs/dbraw/zinc/42/88/22/607428822.db2.gz AJULXPBYYMAYCU-UHFFFAOYSA-N -1 3 364.434 3.239 20 30 FGEDHM C[C@@H](N[C@@H](C(=O)[O-])c1ccc(C#N)cc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000736662874 600592139 /nfs/dbraw/zinc/59/21/39/600592139.db2.gz TZFCUPNQQISGQN-BFUOFWGJSA-N -1 3 363.417 3.383 20 30 FGEDHM Cc1cc(C)c2c(c1)OCC(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000822195289 607458207 /nfs/dbraw/zinc/45/82/07/607458207.db2.gz NLGXQFPOFIMGAY-VGOFMYFVSA-N -1 3 350.353 3.281 20 30 FGEDHM Cc1cc(C)c2c(c1)OCC(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000822195289 607458209 /nfs/dbraw/zinc/45/82/09/607458209.db2.gz NLGXQFPOFIMGAY-VGOFMYFVSA-N -1 3 350.353 3.281 20 30 FGEDHM O=C(/C=C/c1ccc(-c2nn[n-]n2)cc1F)c1c(Cl)nc2sccn21 ZINC000822922636 607460890 /nfs/dbraw/zinc/46/08/90/607460890.db2.gz IIJPGUVYUYBTMY-ONEGZZNKSA-N -1 3 374.788 3.265 20 30 FGEDHM C[C@H](N[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000827716860 601299211 /nfs/dbraw/zinc/29/92/11/601299211.db2.gz BPVMVOGSBUBRRJ-DJJJIMSYSA-N -1 3 363.417 3.383 20 30 FGEDHM COc1ccc(CNc2ccc(C#N)c(C(F)(F)F)c2)cc1-c1nnn[n-]1 ZINC000826203878 607551586 /nfs/dbraw/zinc/55/15/86/607551586.db2.gz KAROQWVWHUEFPZ-UHFFFAOYSA-N -1 3 374.326 3.378 20 30 FGEDHM COc1ccc(CNc2ccc(C#N)c(C(F)(F)F)c2)cc1-c1nn[n-]n1 ZINC000826203878 607551587 /nfs/dbraw/zinc/55/15/87/607551587.db2.gz KAROQWVWHUEFPZ-UHFFFAOYSA-N -1 3 374.326 3.378 20 30 FGEDHM Cn1c2ccccc2nc1C(C#N)C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000830969640 604152668 /nfs/dbraw/zinc/15/26/68/604152668.db2.gz XXNBUWVICKLHBT-DKUMPPAJSA-N -1 3 366.421 3.061 20 30 FGEDHM Cc1cc([C@H](C)N2CCCN(c3ccccc3C#N)CC2)oc1C(=O)[O-] ZINC000832871140 604384291 /nfs/dbraw/zinc/38/42/91/604384291.db2.gz OQSQZMSADVIGEU-HNNXBMFYSA-N -1 3 353.422 3.431 20 30 FGEDHM C[C@@H](CC(=O)C(C#N)c1nc2ccccc2o1)C1CCN(C(=O)[O-])CC1 ZINC000824549682 604387915 /nfs/dbraw/zinc/38/79/15/604387915.db2.gz BYNMLMBRASQMBK-GXTWGEPZSA-N -1 3 355.394 3.420 20 30 FGEDHM N#Cc1ccc(C(=O)Nc2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)[nH]1 ZINC000826384230 607725694 /nfs/dbraw/zinc/72/56/94/607725694.db2.gz MENAQHAWUXQNPI-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#Cc1ccc(CN2C[C@@H]3CCC[C@H](NC(=O)[O-])[C@@H]3C2)c(OC(F)F)c1 ZINC000833972105 605447465 /nfs/dbraw/zinc/44/74/65/605447465.db2.gz VELCUJUXFLKCKN-CFVMTHIKSA-N -1 3 365.380 3.028 20 30 FGEDHM N#Cc1cccc(-c2csc(NC(=O)c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000826386721 607769634 /nfs/dbraw/zinc/76/96/34/607769634.db2.gz QEWGEZJWTJXZSY-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM N#Cc1cccc(-c2csc(NC(=O)c3ccc(-c4nn[n-]n4)cc3)n2)c1 ZINC000826386721 607769635 /nfs/dbraw/zinc/76/96/35/607769635.db2.gz QEWGEZJWTJXZSY-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM FC(F)(F)c1ccc(CNN=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000822724030 606206338 /nfs/dbraw/zinc/20/63/38/606206338.db2.gz WULAUBQDQXXZQF-UHFFFAOYSA-N -1 3 352.345 3.071 20 30 FGEDHM FC(F)(F)c1ccc(CNN=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000822724030 606206339 /nfs/dbraw/zinc/20/63/39/606206339.db2.gz WULAUBQDQXXZQF-UHFFFAOYSA-N -1 3 352.345 3.071 20 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/nfs/dbraw/zinc/34/22/03/606342203.db2.gz YXKOGAYCPKGWQA-GFCCVEGCSA-N -1 3 365.418 3.135 20 30 FGEDHM N#Cc1cccc(COc2cccc(Nc3ncccc3-c3nnn[n-]3)c2)c1 ZINC000822836950 606431025 /nfs/dbraw/zinc/43/10/25/606431025.db2.gz BNXGPZSETHOSAB-UHFFFAOYSA-N -1 3 369.388 3.456 20 30 FGEDHM N#Cc1cccc(COc2cccc(Nc3ncccc3-c3nn[n-]n3)c2)c1 ZINC000822836950 606431027 /nfs/dbraw/zinc/43/10/27/606431027.db2.gz BNXGPZSETHOSAB-UHFFFAOYSA-N -1 3 369.388 3.456 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822801854 606437554 /nfs/dbraw/zinc/43/75/54/606437554.db2.gz PPBJLRLBCRXCQV-ZWKOTPCHSA-N -1 3 373.420 3.170 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000822801854 606437556 /nfs/dbraw/zinc/43/75/56/606437556.db2.gz PPBJLRLBCRXCQV-ZWKOTPCHSA-N -1 3 373.420 3.170 20 30 FGEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819958905 606556327 /nfs/dbraw/zinc/55/63/27/606556327.db2.gz SHKSVQDRKHQAKI-GOSISDBHSA-N -1 3 374.448 3.088 20 30 FGEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819958905 606556329 /nfs/dbraw/zinc/55/63/29/606556329.db2.gz SHKSVQDRKHQAKI-GOSISDBHSA-N -1 3 374.448 3.088 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000819743663 606674103 /nfs/dbraw/zinc/67/41/03/606674103.db2.gz NOBXBPSWNYAUQI-PMACEKPBSA-N -1 3 373.460 3.260 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1C[C@@H]1Cc1ccccc1 ZINC000819743663 606674104 /nfs/dbraw/zinc/67/41/04/606674104.db2.gz NOBXBPSWNYAUQI-PMACEKPBSA-N -1 3 373.460 3.260 20 30 FGEDHM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1ccccc1-c1nnn[n-]1 ZINC000822819304 606889061 /nfs/dbraw/zinc/88/90/61/606889061.db2.gz OLYMBGZCHHQLPA-UHFFFAOYSA-N -1 3 373.294 3.114 20 30 FGEDHM N#Cc1cc(C(F)(F)F)ccc1C(=O)OCc1ccccc1-c1nn[n-]n1 ZINC000822819304 606889063 /nfs/dbraw/zinc/88/90/63/606889063.db2.gz OLYMBGZCHHQLPA-UHFFFAOYSA-N -1 3 373.294 3.114 20 30 FGEDHM Fc1cc(NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)cc(F)c1F ZINC000822753942 607149041 /nfs/dbraw/zinc/14/90/41/607149041.db2.gz SGHAJUZOLJXNEY-UHFFFAOYSA-N -1 3 357.299 3.211 20 30 FGEDHM Fc1cc(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cc(F)c1F ZINC000822753942 607149043 /nfs/dbraw/zinc/14/90/43/607149043.db2.gz SGHAJUZOLJXNEY-UHFFFAOYSA-N -1 3 357.299 3.211 20 30 FGEDHM O=C1c2cc3c(cc2OCCC1=Cc1cccc(-c2nnn[n-]2)c1)CCC3 ZINC000823504370 607171789 /nfs/dbraw/zinc/17/17/89/607171789.db2.gz PKMLRCPLMPWYBH-SXGWCWSVSA-N -1 3 358.401 3.404 20 30 FGEDHM O=C1c2cc3c(cc2OCCC1=Cc1cccc(-c2nn[n-]n2)c1)CCC3 ZINC000823504370 607171790 /nfs/dbraw/zinc/17/17/90/607171790.db2.gz PKMLRCPLMPWYBH-SXGWCWSVSA-N -1 3 358.401 3.404 20 30 FGEDHM C=C(C)[C@H](CC(=O)N(CC)[C@H](C)c1ccc(-c2nnn[n-]2)cc1)OCC ZINC000823872594 607885657 /nfs/dbraw/zinc/88/56/57/607885657.db2.gz BPGLZNRYLWDTEL-PBHICJAKSA-N -1 3 357.458 3.148 20 30 FGEDHM C=C(C)[C@H](CC(=O)N(CC)[C@H](C)c1ccc(-c2nn[n-]n2)cc1)OCC ZINC000823872594 607885658 /nfs/dbraw/zinc/88/56/58/607885658.db2.gz BPGLZNRYLWDTEL-PBHICJAKSA-N -1 3 357.458 3.148 20 30 FGEDHM Fc1ccc(C(F)(F)F)cc1NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826373367 607890542 /nfs/dbraw/zinc/89/05/42/607890542.db2.gz JLLZVHLDQPBBHF-UHFFFAOYSA-N -1 3 350.279 3.471 20 30 FGEDHM Fc1ccc(C(F)(F)F)cc1NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826373367 607890543 /nfs/dbraw/zinc/89/05/43/607890543.db2.gz JLLZVHLDQPBBHF-UHFFFAOYSA-N -1 3 350.279 3.471 20 30 FGEDHM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000824457075 607925817 /nfs/dbraw/zinc/92/58/17/607925817.db2.gz DQKLXZUKVJPEJB-LLVKDONJSA-N -1 3 366.812 3.209 20 30 FGEDHM C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000824457075 607925818 /nfs/dbraw/zinc/92/58/18/607925818.db2.gz DQKLXZUKVJPEJB-LLVKDONJSA-N -1 3 366.812 3.209 20 30 FGEDHM CC(C)[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(F)cc1 ZINC000824184911 607925916 /nfs/dbraw/zinc/92/59/16/607925916.db2.gz NYQLBJDPKQPUPX-QGZVFWFLSA-N -1 3 364.384 3.256 20 30 FGEDHM CC(C)[C@@H](C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(F)cc1 ZINC000824184911 607925917 /nfs/dbraw/zinc/92/59/17/607925917.db2.gz NYQLBJDPKQPUPX-QGZVFWFLSA-N -1 3 364.384 3.256 20 30 FGEDHM CC(C)CNN=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000824266884 608219709 /nfs/dbraw/zinc/21/97/09/608219709.db2.gz SDKWPOZWKLVPMR-UHFFFAOYSA-N -1 3 350.426 3.025 20 30 FGEDHM CC(C)CNN=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000824266884 608219710 /nfs/dbraw/zinc/21/97/10/608219710.db2.gz SDKWPOZWKLVPMR-UHFFFAOYSA-N -1 3 350.426 3.025 20 30 FGEDHM CC(C)(C)c1cc(NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c(C#N)s1 ZINC000824130956 608348302 /nfs/dbraw/zinc/34/83/02/608348302.db2.gz UCAOIPYRAXZTAT-UHFFFAOYSA-N -1 3 366.450 3.279 20 30 FGEDHM CC(C)(C)c1cc(NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c(C#N)s1 ZINC000824130956 608348303 /nfs/dbraw/zinc/34/83/03/608348303.db2.gz UCAOIPYRAXZTAT-UHFFFAOYSA-N -1 3 366.450 3.279 20 30 FGEDHM N#Cc1ccc(-c2cccc(CNc3cnccc3-c3nnn[n-]3)c2)s1 ZINC000826384531 608787232 /nfs/dbraw/zinc/78/72/32/608787232.db2.gz YYEQVTBNJVSNDY-UHFFFAOYSA-N -1 3 359.418 3.474 20 30 FGEDHM N#Cc1ccc(-c2cccc(CNc3cnccc3-c3nn[n-]n3)c2)s1 ZINC000826384531 608787235 /nfs/dbraw/zinc/78/72/35/608787235.db2.gz YYEQVTBNJVSNDY-UHFFFAOYSA-N -1 3 359.418 3.474 20 30 FGEDHM Cc1nn(C(C)C)c(C)c1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826332902 608880047 /nfs/dbraw/zinc/88/00/47/608880047.db2.gz MCIOMYMZFHTJLQ-VURMDHGXSA-N -1 3 354.389 3.296 20 30 FGEDHM Cc1nn(C(C)C)c(C)c1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826332902 608880048 /nfs/dbraw/zinc/88/00/48/608880048.db2.gz MCIOMYMZFHTJLQ-VURMDHGXSA-N -1 3 354.389 3.296 20 30 FGEDHM CC1(C#N)CCN(C(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CC1 ZINC000824776992 609173681 /nfs/dbraw/zinc/17/36/81/609173681.db2.gz GNTBQNNAPFPSDS-UHFFFAOYSA-N -1 3 372.432 3.300 20 30 FGEDHM CC1(C#N)CCN(C(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CC1 ZINC000824776992 609173683 /nfs/dbraw/zinc/17/36/83/609173683.db2.gz GNTBQNNAPFPSDS-UHFFFAOYSA-N -1 3 372.432 3.300 20 30 FGEDHM O=C(C=Cc1cnc2ccc(Cl)cn12)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403398 609274769 /nfs/dbraw/zinc/27/47/69/609274769.db2.gz QXRYONTYIDSMEL-HYXAFXHYSA-N -1 3 368.759 3.203 20 30 FGEDHM O=C(C=Cc1cnc2ccc(Cl)cn12)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403398 609274770 /nfs/dbraw/zinc/27/47/70/609274770.db2.gz QXRYONTYIDSMEL-HYXAFXHYSA-N -1 3 368.759 3.203 20 30 FGEDHM C=C(C)CN(C)[C@H](C)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000823873393 609370261 /nfs/dbraw/zinc/37/02/61/609370261.db2.gz LPEAIGMMWQOLBC-GFCCVEGCSA-N -1 3 374.514 3.032 20 30 FGEDHM C=C(C)CN(C)[C@H](C)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000823873393 609370264 /nfs/dbraw/zinc/37/02/64/609370264.db2.gz LPEAIGMMWQOLBC-GFCCVEGCSA-N -1 3 374.514 3.032 20 30 FGEDHM C#C[C@H](OC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000823838789 609387147 /nfs/dbraw/zinc/38/71/47/609387147.db2.gz UQURAEHMXPEBKC-INIZCTEOSA-N -1 3 360.373 3.228 20 30 FGEDHM C#C[C@H](OC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000823838789 609387148 /nfs/dbraw/zinc/38/71/48/609387148.db2.gz UQURAEHMXPEBKC-INIZCTEOSA-N -1 3 360.373 3.228 20 30 FGEDHM Cc1cc2ccc(Cl)cc2[nH]c1=NN=Cc1ccc(-c2nnn[n-]2)o1 ZINC000826273057 609419229 /nfs/dbraw/zinc/41/92/29/609419229.db2.gz NWVAAYRSMHVIAI-UHFFFAOYSA-N -1 3 353.773 3.416 20 30 FGEDHM COc1ccc2[nH]c3c(c2c1)CC(N=Nc1ccc(-c2nnn[n-]2)cc1)CC3 ZINC000826212314 609449179 /nfs/dbraw/zinc/44/91/79/609449179.db2.gz MRADOTAQKMTZCF-UHFFFAOYSA-N -1 3 373.420 3.313 20 30 FGEDHM COc1ccc2[nH]c3c(c2c1)CC(N=Nc1ccc(-c2nn[n-]n2)cc1)CC3 ZINC000826212314 609449181 /nfs/dbraw/zinc/44/91/81/609449181.db2.gz MRADOTAQKMTZCF-UHFFFAOYSA-N -1 3 373.420 3.313 20 30 FGEDHM CC(=NNc1ccc(C#N)c(Cl)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823958601 609467475 /nfs/dbraw/zinc/46/74/75/609467475.db2.gz SDVRDICIVLENNQ-UHFFFAOYSA-N -1 3 355.764 3.367 20 30 FGEDHM CC(=NNc1ccc(C#N)c(Cl)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823958601 609467476 /nfs/dbraw/zinc/46/74/76/609467476.db2.gz SDVRDICIVLENNQ-UHFFFAOYSA-N -1 3 355.764 3.367 20 30 FGEDHM CC(=NNc1ccc(C#N)c(Cl)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823958210 609470056 /nfs/dbraw/zinc/47/00/56/609470056.db2.gz FVXULXABXLXECD-UHFFFAOYSA-N -1 3 355.764 3.367 20 30 FGEDHM CC(=NNc1ccc(C#N)c(Cl)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823958210 609470058 /nfs/dbraw/zinc/47/00/58/609470058.db2.gz FVXULXABXLXECD-UHFFFAOYSA-N -1 3 355.764 3.367 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)OCc1ccc(Cl)cc1C#N ZINC000826252196 609617276 /nfs/dbraw/zinc/61/72/76/609617276.db2.gz TUMNDAZXFWQOGV-UHFFFAOYSA-N -1 3 353.769 3.057 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)OCc1ccc(Cl)cc1C#N ZINC000826252196 609617277 /nfs/dbraw/zinc/61/72/77/609617277.db2.gz TUMNDAZXFWQOGV-UHFFFAOYSA-N -1 3 353.769 3.057 20 30 FGEDHM COC(=O)CN(Cc1ccc(F)cc1C#N)Cc1cc(Cl)ccc1[O-] ZINC000109779923 700536849 /nfs/dbraw/zinc/53/68/49/700536849.db2.gz FYFBJJDIWMTIPO-UHFFFAOYSA-N -1 3 362.788 3.232 20 30 FGEDHM C#CCN(C(=O)NCc1ccc([O-])c(Br)c1)C1CCCC1 ZINC000126297530 700746449 /nfs/dbraw/zinc/74/64/49/700746449.db2.gz NJILINLEXGOXDT-UHFFFAOYSA-N -1 3 351.244 3.242 20 30 FGEDHM COc1cc(Cl)c(C)cc1NC(=O)C(C#N)=C([O-])c1cncc(C)c1 ZINC000131988108 700822324 /nfs/dbraw/zinc/82/23/24/700822324.db2.gz RSGDUABEXUZEIE-ZDUSSCGKSA-N -1 3 357.797 3.322 20 30 FGEDHM N#CC(C(=O)Nc1ccc(SC(F)F)cc1)=C([O-])c1cncc(F)c1 ZINC000151584440 704929500 /nfs/dbraw/zinc/92/95/00/704929500.db2.gz CMZQCKLIVBVMNL-CYBMUJFWSA-N -1 3 365.336 3.497 20 30 FGEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cncc(F)c1 ZINC000151619877 704930505 /nfs/dbraw/zinc/93/05/05/704930505.db2.gz KEURJHGFEZWSTO-CYBMUJFWSA-N -1 3 352.152 3.489 20 30 FGEDHM CC(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)nn1C ZINC000177601563 705629971 /nfs/dbraw/zinc/62/99/71/705629971.db2.gz IMVWDVAGIHOFAK-NSHDSACASA-N -1 3 362.792 3.297 20 30 FGEDHM CCCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccc(OC)cc2)s1 ZINC000193496738 712893311 /nfs/dbraw/zinc/89/33/11/712893311.db2.gz XUGAUMAWHRRVFZ-CQSZACIVSA-N -1 3 357.435 3.374 20 30 FGEDHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)Nc2ccccc2)CCCC1 ZINC000329699523 713831621 /nfs/dbraw/zinc/83/16/21/713831621.db2.gz DEFKCCTZGCCXFM-UHFFFAOYSA-N -1 3 363.439 3.171 20 30 FGEDHM Cc1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619461360 714838270 /nfs/dbraw/zinc/83/82/70/714838270.db2.gz QUOQNVBKMGFMSJ-UHFFFAOYSA-N -1 3 355.463 3.462 20 30 FGEDHM C=CCC1([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CCOCC1 ZINC000657128474 719569434 /nfs/dbraw/zinc/56/94/34/719569434.db2.gz XOVLCCJOBGPPAR-UHFFFAOYSA-N -1 3 367.364 3.248 20 30 FGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1c(Br)cnn1C ZINC000782323762 724653464 /nfs/dbraw/zinc/65/34/64/724653464.db2.gz QNQYVJIMVHYKCK-KBUNYLKBSA-N -1 3 351.175 3.411 20 30 FGEDHM O=C(NCc1ccc([O-])c(F)c1)N1C[C@@H](C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000674633891 721702026 /nfs/dbraw/zinc/70/20/26/721702026.db2.gz RZJPBALOEVGBPE-RKDXNWHRSA-N -1 3 374.256 3.414 20 30 FGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cnc(N2CCOCC2)s1 ZINC000727974446 722448977 /nfs/dbraw/zinc/44/89/77/722448977.db2.gz KOGYUQMZYOPRBH-BKLZJWBFSA-N -1 3 360.410 3.208 20 30 FGEDHM CC(=NNc1ccc(S(=O)(=O)C(F)F)cc1)c1ccc([O-])cc1F ZINC000729933355 722463565 /nfs/dbraw/zinc/46/35/65/722463565.db2.gz YIVJAUVTMSRJGQ-UHFFFAOYSA-N -1 3 358.341 3.364 20 30 FGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1nc2ccccc2s1 ZINC000739961208 722534540 /nfs/dbraw/zinc/53/45/40/722534540.db2.gz CCJKHCXYRUDETR-JTQLQIEISA-N -1 3 361.423 3.347 20 30 FGEDHM CCCCS(=O)(=O)Nc1ccc(N=Cc2ccc(O)c([O-])c2O)cc1 ZINC000740763951 722537481 /nfs/dbraw/zinc/53/74/81/722537481.db2.gz USVSJHKPKPDJNZ-UHFFFAOYSA-N -1 3 364.423 3.096 20 30 FGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2COc3c2ccc(Cl)c3Cl)c1[O-] ZINC000743043734 722563384 /nfs/dbraw/zinc/56/33/84/722563384.db2.gz YZFQXUZLDWZKGC-QHXUVICNSA-N -1 3 353.205 3.447 20 30 FGEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1cnc(-c2cccs2)s1 ZINC000751526554 722811808 /nfs/dbraw/zinc/81/18/08/722811808.db2.gz OECHFAPMBIEQMY-UHFFFAOYSA-N -1 3 363.489 3.325 20 30 FGEDHM C=CCn1c(SCc2nc(C)cc(=O)[n-]2)nc2cc(Cl)ccc2c1=O ZINC000754456291 722939027 /nfs/dbraw/zinc/93/90/27/722939027.db2.gz BVSGBIGZBCWJSN-UHFFFAOYSA-N -1 3 374.853 3.332 20 30 FGEDHM CC(C)Oc1cccc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)n1 ZINC000754818255 722946290 /nfs/dbraw/zinc/94/62/90/722946290.db2.gz NZZYGFNSCAGODE-LBPRGKRZSA-N -1 3 357.797 3.483 20 30 FGEDHM COc1ccccc1C1N=NC(=S)N1N=Cc1c([O-])cccc1Cl ZINC000755519337 722954132 /nfs/dbraw/zinc/95/41/32/722954132.db2.gz JKAGJXFPEGKUGX-UHFFFAOYSA-N -1 3 360.826 3.484 20 30 FGEDHM CC(C)(C)c1noc(C=Nn2c(=S)[n-]nc2SCc2ccccc2)n1 ZINC000758096497 722984176 /nfs/dbraw/zinc/98/41/76/722984176.db2.gz LJVJSXYTTVROLB-UHFFFAOYSA-N -1 3 374.495 3.422 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)cc1F ZINC000794030724 723485646 /nfs/dbraw/zinc/48/56/46/723485646.db2.gz WLRBQGUUEHCZPZ-UHFFFAOYSA-N -1 3 355.734 3.060 20 30 FGEDHM C#C[C@H](NC=C1C(=O)[N-]C(=O)c2ccccc21)c1ccc(Cl)cc1F ZINC000794736638 723543855 /nfs/dbraw/zinc/54/38/55/723543855.db2.gz PMIBMNDAYCGTGX-MJSCBBHESA-N -1 3 354.768 3.054 20 30 FGEDHM C[C@@H](C#N)CSc1ccccc1[N-]S(=O)(=O)C[C@@H]1CCCOC1 ZINC000795317779 723581608 /nfs/dbraw/zinc/58/16/08/723581608.db2.gz JUDOJKAFHBITBJ-UONOGXRCSA-N -1 3 354.497 3.107 20 30 FGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1nc(C(F)(F)F)cs1 ZINC000767381255 723616973 /nfs/dbraw/zinc/61/69/73/723616973.db2.gz WVVCKJNAFNLOOP-UHFFFAOYSA-N -1 3 363.386 3.006 20 30 FGEDHM C#C[C@@H](CC)OC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000768058362 723645015 /nfs/dbraw/zinc/64/50/15/723645015.db2.gz GNLQUJLPNWEXOS-AWEZNQCLSA-N -1 3 361.394 3.195 20 30 FGEDHM C=C(C)[C@H](C)OC(=O)c1cc([N-]S(C)(=O)=O)cc(C(F)(F)F)c1 ZINC000796833252 723656396 /nfs/dbraw/zinc/65/63/96/723656396.db2.gz BYZIECLFENAAAU-VIFPVBQESA-N -1 3 351.346 3.198 20 30 FGEDHM C=C(CC)COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)c[nH]1 ZINC000773494281 723791580 /nfs/dbraw/zinc/79/15/80/723791580.db2.gz JBQXMDMGNSQEIL-UHFFFAOYSA-N -1 3 352.387 3.078 20 30 FGEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1cc(Cl)ccc1Br ZINC000797455918 723820168 /nfs/dbraw/zinc/82/01/68/723820168.db2.gz HGNPRBOYHGGLGT-SNVBAGLBSA-N -1 3 350.665 3.183 20 30 FGEDHM Cc1ncc(CO)c(C=Nc2cc(F)c(Br)c(F)c2)c1[O-] ZINC000774539999 723904633 /nfs/dbraw/zinc/90/46/33/723904633.db2.gz AKAXMOYVJRPOSQ-UHFFFAOYSA-N -1 3 357.154 3.379 20 30 FGEDHM COC(=O)N1CCC([C@@H](C)/N=C/c2cc(Br)ccc2[O-])CC1 ZINC000776722288 724174302 /nfs/dbraw/zinc/17/43/02/724174302.db2.gz PTYDPINWTWDTES-VDCVXVNISA-N -1 3 369.259 3.441 20 30 FGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(Cl)nc1C ZINC000802040809 724354722 /nfs/dbraw/zinc/35/47/22/724354722.db2.gz LBZCDLVYXCRJQU-CYBMUJFWSA-N -1 3 357.797 3.403 20 30 FGEDHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](CCCC#N)c1ccccc1 ZINC000814288299 726953880 /nfs/dbraw/zinc/95/38/80/726953880.db2.gz VJEGSWHQRBUAKP-CQSZACIVSA-N -1 3 366.874 3.095 20 30 FGEDHM CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1cc(F)ccc1[O-] ZINC000819430931 727374847 /nfs/dbraw/zinc/37/48/47/727374847.db2.gz NNMFUWNWODJEDL-GFCCVEGCSA-N -1 3 351.378 3.057 20 30 FGEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1cccc(Oc2ccc(Cl)cc2)c1 ZINC000820476665 728997971 /nfs/dbraw/zinc/99/79/71/728997971.db2.gz OOZQNFJVTCASGK-MRXNPFEDSA-N -1 3 360.797 3.242 20 30 FGEDHM CCOc1cc(/C=C/C(=O)c2cc(OC)no2)cc(Br)c1[O-] ZINC000821021329 729051279 /nfs/dbraw/zinc/05/12/79/729051279.db2.gz FELFIJJWXJIJGC-SNAWJCMRSA-N -1 3 368.183 3.446 20 30 FGEDHM C=CCC1([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)OC)CCCCC1 ZINC000832437609 729713447 /nfs/dbraw/zinc/71/34/47/729713447.db2.gz IORKRGSAAAGHOW-UHFFFAOYSA-N -1 3 372.874 3.079 20 30 FGEDHM Cn1c(=O)ccc2c1CCC[C@@H]2/N=C/c1cc(Br)ccc1[O-] ZINC000844269275 730696492 /nfs/dbraw/zinc/69/64/92/730696492.db2.gz BGYIEMVBFQSAKE-FVOVHSBVSA-N -1 3 361.239 3.350 20 30 FGEDHM CCOc1cc(/C=C2\CCn3nccc3C2=O)cc(Br)c1[O-] ZINC000853009098 731649585 /nfs/dbraw/zinc/64/95/85/731649585.db2.gz FZPOTUGAODWOMT-YRNVUSSQSA-N -1 3 363.211 3.420 20 30 FGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccsc1COC ZINC000870140093 733815661 /nfs/dbraw/zinc/81/56/61/733815661.db2.gz DUOJFHYLVFCFRK-ZDUSSCGKSA-N -1 3 358.419 3.254 20 30 FGEDHM CO[C@H](C)c1nc(C[N-]C(=O)C(F)(F)c2ccccc2C#N)cs1 ZINC000900985620 743209823 /nfs/dbraw/zinc/20/98/23/743209823.db2.gz CIPBDLXCHMTVDD-SNVBAGLBSA-N -1 3 351.378 3.130 20 30 FGEDHM CC[C@@H](C#N)Oc1cc(CNCc2ccc(C(=O)[O-])s2)ccc1OC ZINC000903678753 743872633 /nfs/dbraw/zinc/87/26/33/743872633.db2.gz SAFQQJZEBPNGLA-ZDUSSCGKSA-N -1 3 360.435 3.426 20 30 FGEDHM CC(C)(C)C1N=NC(=S)N1N=Cc1cc(Br)ccc1[O-] ZINC000916308244 758068267 /nfs/dbraw/zinc/06/82/67/758068267.db2.gz ABGHINJGPLYVQW-UHFFFAOYSA-N -1 3 355.261 3.215 20 30 FGEDHM Cc1ncc(CO)c(/C=N/CCc2ccc(Br)s2)c1[O-] ZINC000920388051 758547895 /nfs/dbraw/zinc/54/78/95/758547895.db2.gz XYBGXDZXPBEWLD-FRKPEAEDSA-N -1 3 355.257 3.074 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000105574989 222371219 /nfs/dbraw/zinc/37/12/19/222371219.db2.gz CLXAVDMYQKGEGI-STQMWFEESA-N -1 3 369.387 3.033 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2ncc(-c3ccccc3)o2)c(Cl)c1 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COC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(F)cc1 ZINC000443313723 500708198 /nfs/dbraw/zinc/70/81/98/500708198.db2.gz XSMDLZNJMQANIR-HNNXBMFYSA-N -1 3 368.817 3.017 20 30 FGEDHM CSc1ccc(F)cc1C[N-]S(=O)(=O)c1ccc(F)cc1C#N ZINC000443316264 500709137 /nfs/dbraw/zinc/70/91/37/500709137.db2.gz VRHYXBXSGBUQJO-UHFFFAOYSA-N -1 3 354.403 3.037 20 30 FGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000443351427 500714379 /nfs/dbraw/zinc/71/43/79/500714379.db2.gz NAEQDUJZZLZLCT-PWSUYJOCSA-N -1 3 364.364 3.344 20 30 FGEDHM N#Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2CO)ccc1C(F)(F)F ZINC000443413616 500721587 /nfs/dbraw/zinc/72/15/87/500721587.db2.gz MRXXKHSPMWWIKM-UHFFFAOYSA-N -1 3 374.315 3.009 20 30 FGEDHM COC(=O)c1c(F)cccc1[N-]C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000448349368 500750887 /nfs/dbraw/zinc/75/08/87/500750887.db2.gz UQCITLICLYXCMN-UHFFFAOYSA-N -1 3 365.320 3.391 20 30 FGEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1F ZINC000444050340 500796973 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C=CCCCCNC(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CCC ZINC000474686291 501921254 /nfs/dbraw/zinc/92/12/54/501921254.db2.gz JGCQTNWFNBEKON-UHFFFAOYSA-N -1 3 372.469 3.117 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@](C)(C1CC1)C(F)(F)F ZINC000471140903 501932484 /nfs/dbraw/zinc/93/24/84/501932484.db2.gz CPDXFQKZYMNLBD-INIZCTEOSA-N -1 3 355.360 3.056 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(Br)c2F)cc1 ZINC000486547690 502185876 /nfs/dbraw/zinc/18/58/76/502185876.db2.gz IMLBTLAIFOUPEO-UHFFFAOYSA-N -1 3 373.178 3.400 20 30 FGEDHM C=C[C@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1C ZINC000465146649 502202029 /nfs/dbraw/zinc/20/20/29/502202029.db2.gz LSGSFQWYCRHHMQ-ZDUSSCGKSA-N -1 3 362.426 3.239 20 30 FGEDHM N#Cc1[n-]c(=NCCCOCCOCc2ccccc2)sc1Cl ZINC000596187631 506299712 /nfs/dbraw/zinc/29/97/12/506299712.db2.gz VCIMLJVJIMUNAA-UHFFFAOYSA-N -1 3 351.859 3.125 20 30 FGEDHM N#CC(=C([O-])c1cccc(C(=O)NC2CC2)c1)c1cnc2ccccc2n1 ZINC000483230577 502319352 /nfs/dbraw/zinc/31/93/52/502319352.db2.gz 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ZINC000508143115 503440085 /nfs/dbraw/zinc/44/00/85/503440085.db2.gz RIOZZRDIXJTBKT-GFCCVEGCSA-N -1 3 353.296 3.307 20 30 FGEDHM CC(=O)Nc1ccc([O-])c(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000503907452 503487321 /nfs/dbraw/zinc/48/73/21/503487321.db2.gz FNRHHCIRSQOHTQ-UHFFFAOYSA-N -1 3 361.401 3.152 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(Cc2c(F)cccc2F)no1 ZINC000547023002 503958473 /nfs/dbraw/zinc/95/84/73/503958473.db2.gz XYAPBZRWVMXJHG-UHFFFAOYSA-N -1 3 370.359 3.313 20 30 FGEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-] ZINC000537746408 504025681 /nfs/dbraw/zinc/02/56/81/504025681.db2.gz BUKQYSVGMTYDJP-UHFFFAOYSA-N -1 3 353.444 3.353 20 30 FGEDHM N#CC1(CS(=O)(=O)[N-]Cc2ncc(-c3ccccc3)cn2)CCCCC1 ZINC000547471450 504118437 /nfs/dbraw/zinc/11/84/37/504118437.db2.gz APSQDZKTBLDBOK-UHFFFAOYSA-N -1 3 370.478 3.037 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1-c1cn[nH]c1 ZINC000541561478 504176929 /nfs/dbraw/zinc/17/69/29/504176929.db2.gz KLIFMRYMOFXKCD-UHFFFAOYSA-N -1 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FGEDHM Cc1cccnc1C(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000563656830 505203800 /nfs/dbraw/zinc/20/38/00/505203800.db2.gz MTZZJTHJMIFAQC-UHFFFAOYSA-N -1 3 363.870 3.171 20 30 FGEDHM Cc1ccc(C[C@@H]([N-]S(=O)(=O)c2ccc(C#N)o2)c2ccccn2)cc1 ZINC000561518897 505366365 /nfs/dbraw/zinc/36/63/65/505366365.db2.gz LBCCPKUDQWUEAF-GOSISDBHSA-N -1 3 367.430 3.117 20 30 FGEDHM C[C@H](NC(=O)N=c1[n-]n(CC(F)(F)F)cc1Cl)c1cccc(C#N)c1 ZINC000603045572 506396589 /nfs/dbraw/zinc/39/65/89/506396589.db2.gz WIOPZAHBZIQELY-VIFPVBQESA-N -1 3 371.750 3.275 20 30 FGEDHM COc1ccc(CN2CCC(CCC(=O)[O-])CC2)cc1OCCCC#N ZINC000596650755 506511802 /nfs/dbraw/zinc/51/18/02/506511802.db2.gz AMNCLDRXFGANRT-UHFFFAOYSA-N -1 3 360.454 3.455 20 30 FGEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000593557499 506683470 /nfs/dbraw/zinc/68/34/70/506683470.db2.gz CZNDIKIDXFMOTI-ZJUUUORDSA-N -1 3 352.403 3.267 20 30 FGEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000593561461 506685138 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COc1ccc(C=C2CSc3ccccc3C2=O)cc1-c1nnn[n-]1 ZINC000737085159 599154131 /nfs/dbraw/zinc/15/41/31/599154131.db2.gz YZANRPCBNPLRCR-XYOKQWHBSA-N -1 3 350.403 3.247 20 30 FGEDHM COc1ccc(C=C2CSc3ccccc3C2=O)cc1-c1nn[n-]n1 ZINC000737085159 599154135 /nfs/dbraw/zinc/15/41/35/599154135.db2.gz YZANRPCBNPLRCR-XYOKQWHBSA-N -1 3 350.403 3.247 20 30 FGEDHM Cc1c(C(=O)C=Cc2cccc(F)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737203244 599157443 /nfs/dbraw/zinc/15/74/43/599157443.db2.gz SSQRPOFAGIRDGV-BJMVGYQFSA-N -1 3 374.379 3.396 20 30 FGEDHM CC(C)CN(CCC#N)C(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735827962 598316443 /nfs/dbraw/zinc/31/64/43/598316443.db2.gz VKNAGWGUHLXOSI-UHFFFAOYSA-N -1 3 363.878 3.089 20 30 FGEDHM CC(C)CN(CCC#N)C(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735827962 598316445 /nfs/dbraw/zinc/31/64/45/598316445.db2.gz VKNAGWGUHLXOSI-UHFFFAOYSA-N -1 3 363.878 3.089 20 30 FGEDHM N#Cc1ccc(-c2ccc(OC(=O)c3ccc(-c4nnn[n-]4)cn3)cc2)cc1 ZINC000737708737 598435824 /nfs/dbraw/zinc/43/58/24/598435824.db2.gz GCYSSLQGICBMBK-UHFFFAOYSA-N -1 3 368.356 3.020 20 30 FGEDHM N#Cc1ccc(-c2ccc(OC(=O)c3ccc(-c4nn[n-]n4)cn3)cc2)cc1 ZINC000737708737 598435827 /nfs/dbraw/zinc/43/58/27/598435827.db2.gz GCYSSLQGICBMBK-UHFFFAOYSA-N -1 3 368.356 3.020 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(C)CCCC1 ZINC000735420896 598542513 /nfs/dbraw/zinc/54/25/13/598542513.db2.gz VIURDUOODULTNI-UHFFFAOYSA-N -1 3 354.458 3.145 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(C)CCCC1 ZINC000735420896 598542514 /nfs/dbraw/zinc/54/25/14/598542514.db2.gz VIURDUOODULTNI-UHFFFAOYSA-N -1 3 354.458 3.145 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(C)c(O)c(C)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737261065 598639546 /nfs/dbraw/zinc/63/95/46/598639546.db2.gz AHWGIDWXRHUXBU-SREVYHEPSA-N -1 3 363.421 3.141 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(C)c(O)c(C)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737261065 598639548 /nfs/dbraw/zinc/63/95/48/598639548.db2.gz AHWGIDWXRHUXBU-SREVYHEPSA-N -1 3 363.421 3.141 20 30 FGEDHM C=CCN(CC1CCCCC1)C(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000735416193 598752889 /nfs/dbraw/zinc/75/28/89/598752889.db2.gz DXJHPYZPNJUEIN-OAHLLOKOSA-N -1 3 369.469 3.229 20 30 FGEDHM C=CCN(CC1CCCCC1)C(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000735416193 598752891 /nfs/dbraw/zinc/75/28/91/598752891.db2.gz DXJHPYZPNJUEIN-OAHLLOKOSA-N -1 3 369.469 3.229 20 30 FGEDHM COc1cccc(C(=O)C(=Cc2cccc(-c3nnn[n-]3)c2)c2ncc[nH]2)c1 ZINC000737120524 598802184 /nfs/dbraw/zinc/80/21/84/598802184.db2.gz CZFBPSWEQVXOHE-BOPFTXTBSA-N -1 3 372.388 3.022 20 30 FGEDHM COc1cccc(C(=O)C(=Cc2cccc(-c3nn[n-]n3)c2)c2ncc[nH]2)c1 ZINC000737120524 598802185 /nfs/dbraw/zinc/80/21/85/598802185.db2.gz CZFBPSWEQVXOHE-BOPFTXTBSA-N -1 3 372.388 3.022 20 30 FGEDHM CC[C@@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1ccc(F)cc1 ZINC000736391320 599518241 /nfs/dbraw/zinc/51/82/41/599518241.db2.gz MOVGTJQZFJITBM-CYBMUJFWSA-N -1 3 355.402 3.098 20 30 FGEDHM CC[C@@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1ccc(F)cc1 ZINC000736391320 599518244 /nfs/dbraw/zinc/51/82/44/599518244.db2.gz MOVGTJQZFJITBM-CYBMUJFWSA-N -1 3 355.402 3.098 20 30 FGEDHM CC[C@H](C)c1ccc(NC(=O)C(C#N)C(=O)CCCN(C)C(=O)[O-])cc1 ZINC000736890603 599911379 /nfs/dbraw/zinc/91/13/79/599911379.db2.gz CYCIYVYBENOLBX-BBRMVZONSA-N -1 3 359.426 3.237 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1COC(=O)c1cc2ccccc2n1CC#N ZINC000826254124 607413073 /nfs/dbraw/zinc/41/30/73/607413073.db2.gz VOPSMJYVGWOODQ-UHFFFAOYSA-N -1 3 372.388 3.010 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1cc2ccccc2n1CC#N ZINC000826254124 607413074 /nfs/dbraw/zinc/41/30/74/607413074.db2.gz VOPSMJYVGWOODQ-UHFFFAOYSA-N -1 3 372.388 3.010 20 30 FGEDHM N#Cc1ccc([C@@H](NCc2ccc(OCC(F)(F)F)cc2)C(=O)[O-])cc1 ZINC000739107202 600592535 /nfs/dbraw/zinc/59/25/35/600592535.db2.gz PYUYGXYTHRXGCJ-MRXNPFEDSA-N -1 3 364.323 3.415 20 30 FGEDHM COc1cc(C)c([C@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737866516 600593795 /nfs/dbraw/zinc/59/37/95/600593795.db2.gz CJVCJEKCFIOFKN-DJJJIMSYSA-N -1 3 354.406 3.360 20 30 FGEDHM Cc1ccc2c(c1)OCCC(=Cc1ccc(-c3nnn[n-]3)cc1F)C2=O ZINC000822279610 607462051 /nfs/dbraw/zinc/46/20/51/607462051.db2.gz CGXNFCJWNUIPSU-LCYFTJDESA-N -1 3 350.353 3.363 20 30 FGEDHM Cc1ccc2c(c1)OCCC(=Cc1ccc(-c3nn[n-]n3)cc1F)C2=O ZINC000822279610 607462054 /nfs/dbraw/zinc/46/20/54/607462054.db2.gz CGXNFCJWNUIPSU-LCYFTJDESA-N -1 3 350.353 3.363 20 30 FGEDHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1cc(Cl)ccc1C#N)c1ccccc1 ZINC000826051852 601201464 /nfs/dbraw/zinc/20/14/64/601201464.db2.gz CYPAMHAWIPYBKE-KPZWWZAWSA-N -1 3 371.824 3.202 20 30 FGEDHM C[C@H](N[C@@H](C(=O)[O-])c1cccc(C#N)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000827716861 601299362 /nfs/dbraw/zinc/29/93/62/601299362.db2.gz BPVMVOGSBUBRRJ-ORAYPTAESA-N -1 3 363.417 3.383 20 30 FGEDHM N#Cc1cccc([C@H](NCc2ccc(N3CCCCCC3)nc2)C(=O)[O-])c1 ZINC000833074589 601301236 /nfs/dbraw/zinc/30/12/36/601301236.db2.gz BFEMTSGXEZDWJO-FQEVSTJZSA-N -1 3 364.449 3.249 20 30 FGEDHM N#Cc1cccc([C@@H](C(=O)[O-])N2CCC(Oc3ccc(F)cc3)CC2)c1 ZINC000833073391 601319367 /nfs/dbraw/zinc/31/93/67/601319367.db2.gz AURZWZLLRQDTHQ-IBGZPJMESA-N -1 3 354.381 3.366 20 30 FGEDHM C=CCSc1nc2ccccc2n1CN1CC[C@H](NC(=O)[O-])[C@@H](C)C1 ZINC000738502431 603394522 /nfs/dbraw/zinc/39/45/22/603394522.db2.gz DFMMIPBPPZXVJU-KBPBESRZSA-N -1 3 360.483 3.250 20 30 FGEDHM Cc1ccccc1C=NOCc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000822350836 606594760 /nfs/dbraw/zinc/59/47/60/606594760.db2.gz HQACRDCNRYLXRZ-UHFFFAOYSA-N -1 3 359.336 3.327 20 30 FGEDHM Cc1ccccc1C=NOCc1ccc(-c2nn[n-]n2)cc1OC(F)F ZINC000822350836 606594761 /nfs/dbraw/zinc/59/47/61/606594761.db2.gz HQACRDCNRYLXRZ-UHFFFAOYSA-N -1 3 359.336 3.327 20 30 FGEDHM N#Cc1ccc(CNc2ccc(F)c(-c3nnn[n-]3)c2)c(OC(F)F)c1 ZINC000822825657 606597971 /nfs/dbraw/zinc/59/79/71/606597971.db2.gz KQQCEJSTONYDQS-UHFFFAOYSA-N -1 3 360.299 3.091 20 30 FGEDHM N#Cc1ccc(CNc2ccc(F)c(-c3nn[n-]n3)c2)c(OC(F)F)c1 ZINC000822825657 606597973 /nfs/dbraw/zinc/59/79/73/606597973.db2.gz KQQCEJSTONYDQS-UHFFFAOYSA-N -1 3 360.299 3.091 20 30 FGEDHM C=CCc1cc(OC)ccc1OC(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000819758687 606666100 /nfs/dbraw/zinc/66/61/00/606666100.db2.gz GABNSOANPDIEIC-UHFFFAOYSA-N -1 3 372.331 3.101 20 30 FGEDHM C=CCc1cc(OC)ccc1OC(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000819758687 606666101 /nfs/dbraw/zinc/66/61/01/606666101.db2.gz GABNSOANPDIEIC-UHFFFAOYSA-N -1 3 372.331 3.101 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(C)c1F ZINC000819746018 606714573 /nfs/dbraw/zinc/71/45/73/606714573.db2.gz YGCTVXUAGUASPE-UHFFFAOYSA-N -1 3 351.385 3.143 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(C)c1F ZINC000819746018 606714574 /nfs/dbraw/zinc/71/45/74/606714574.db2.gz YGCTVXUAGUASPE-UHFFFAOYSA-N -1 3 351.385 3.143 20 30 FGEDHM N#Cc1cccc(NC(=O)CSc2ccc(-c3nnn[n-]3)cc2Cl)c1 ZINC000822837196 606852320 /nfs/dbraw/zinc/85/23/20/606852320.db2.gz JCDTXMRKQUFKQS-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1cccc(NC(=O)CSc2ccc(-c3nn[n-]n3)cc2Cl)c1 ZINC000822837196 606852321 /nfs/dbraw/zinc/85/23/21/606852321.db2.gz JCDTXMRKQUFKQS-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM CCCn1nc(C)c(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1C ZINC000821148753 607111293 /nfs/dbraw/zinc/11/12/93/607111293.db2.gz PDTSYBRCVFFENY-PTNGSMBKSA-N -1 3 362.437 3.303 20 30 FGEDHM CCCn1nc(C)c(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1C ZINC000821148753 607111294 /nfs/dbraw/zinc/11/12/94/607111294.db2.gz PDTSYBRCVFFENY-PTNGSMBKSA-N -1 3 362.437 3.303 20 30 FGEDHM O=C1C(=Cc2cccc(-n3cccn3)c2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823504580 607149477 /nfs/dbraw/zinc/14/94/77/607149477.db2.gz RPHAHLOZVNQCLY-LFIBNONCSA-N -1 3 368.400 3.265 20 30 FGEDHM O=C1C(=Cc2cccc(-n3cccn3)c2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823504580 607149479 /nfs/dbraw/zinc/14/94/79/607149479.db2.gz RPHAHLOZVNQCLY-LFIBNONCSA-N -1 3 368.400 3.265 20 30 FGEDHM Cc1cc(Cl)cc2c1OCC(=Cc1ccccc1-c1nnn[n-]1)C2=O ZINC000826267669 607884794 /nfs/dbraw/zinc/88/47/94/607884794.db2.gz PUWKAMJSOCPBCL-GHXNOFRVSA-N -1 3 352.781 3.487 20 30 FGEDHM Cc1cc(Cl)cc2c1OCC(=Cc1ccccc1-c1nn[n-]n1)C2=O ZINC000826267669 607884795 /nfs/dbraw/zinc/88/47/95/607884795.db2.gz PUWKAMJSOCPBCL-GHXNOFRVSA-N -1 3 352.781 3.487 20 30 FGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1c(Cl)nc2ccccn21 ZINC000826402590 607884997 /nfs/dbraw/zinc/88/49/97/607884997.db2.gz XPOUITKYFNXPAD-CMDGGOBGSA-N -1 3 350.769 3.064 20 30 FGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1c(Cl)nc2ccccn21 ZINC000826402590 607884998 /nfs/dbraw/zinc/88/49/98/607884998.db2.gz XPOUITKYFNXPAD-CMDGGOBGSA-N -1 3 350.769 3.064 20 30 FGEDHM N#Cc1cc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)ccc1-c1nnn[n-]1 ZINC000826384283 607926817 /nfs/dbraw/zinc/92/68/17/607926817.db2.gz OPMHAHVDNNIZDT-MGPQQGTHSA-N -1 3 350.426 3.283 20 30 FGEDHM N#Cc1cc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)ccc1-c1nn[n-]n1 ZINC000826384283 607926818 /nfs/dbraw/zinc/92/68/18/607926818.db2.gz OPMHAHVDNNIZDT-MGPQQGTHSA-N -1 3 350.426 3.283 20 30 FGEDHM CC(C)CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(CC#N)cc1 ZINC000824255535 607980216 /nfs/dbraw/zinc/98/02/16/607980216.db2.gz NGGLUYDPGPNPGG-UHFFFAOYSA-N -1 3 374.448 3.231 20 30 FGEDHM CC(C)CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(CC#N)cc1 ZINC000824255535 607980217 /nfs/dbraw/zinc/98/02/17/607980217.db2.gz NGGLUYDPGPNPGG-UHFFFAOYSA-N -1 3 374.448 3.231 20 30 FGEDHM C=C[C@H](CC(=O)OCc1ccc(OC)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823882752 607980839 /nfs/dbraw/zinc/98/08/39/607980839.db2.gz DADPPQFMHPBEGD-OAHLLOKOSA-N -1 3 364.405 3.278 20 30 FGEDHM C=C[C@H](CC(=O)OCc1ccc(OC)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823882752 607980840 /nfs/dbraw/zinc/98/08/40/607980840.db2.gz DADPPQFMHPBEGD-OAHLLOKOSA-N -1 3 364.405 3.278 20 30 FGEDHM Cc1cccc2c1[C@H](C)C(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O ZINC000826305215 608318500 /nfs/dbraw/zinc/31/85/00/608318500.db2.gz ONCWRDHUGWZGIA-GGNJANJASA-N -1 3 356.389 3.206 20 30 FGEDHM Cc1cccc2c1[C@H](C)C(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O ZINC000826305215 608318502 /nfs/dbraw/zinc/31/85/02/608318502.db2.gz ONCWRDHUGWZGIA-GGNJANJASA-N -1 3 356.389 3.206 20 30 FGEDHM N#Cc1cc2c(nc1SCc1cccc(-c3nnn[n-]3)c1F)CCCC2 ZINC000826384072 608396799 /nfs/dbraw/zinc/39/67/99/608396799.db2.gz FWIGLQHAMCIMOO-UHFFFAOYSA-N -1 3 366.425 3.444 20 30 FGEDHM N#Cc1cc2c(nc1SCc1cccc(-c3nn[n-]n3)c1F)CCCC2 ZINC000826384072 608396800 /nfs/dbraw/zinc/39/68/00/608396800.db2.gz FWIGLQHAMCIMOO-UHFFFAOYSA-N -1 3 366.425 3.444 20 30 FGEDHM N#Cc1ccc(F)c(CN2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c1 ZINC000826385246 608466726 /nfs/dbraw/zinc/46/67/26/608466726.db2.gz CZSAMEWZYBSKOE-UHFFFAOYSA-N -1 3 360.396 3.167 20 30 FGEDHM Fc1ccc2oc(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)cc2c1 ZINC000826375735 608538171 /nfs/dbraw/zinc/53/81/71/608538171.db2.gz AAKRJRIHECZIIU-UHFFFAOYSA-N -1 3 357.736 3.246 20 30 FGEDHM Fc1ccc2oc(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)cc2c1 ZINC000826375735 608538172 /nfs/dbraw/zinc/53/81/72/608538172.db2.gz AAKRJRIHECZIIU-UHFFFAOYSA-N -1 3 357.736 3.246 20 30 FGEDHM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cc(F)ccc1F ZINC000825028573 608538676 /nfs/dbraw/zinc/53/86/76/608538676.db2.gz JGQKLLYSGUSHEI-UHFFFAOYSA-N -1 3 363.759 3.420 20 30 FGEDHM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cc(F)ccc1F ZINC000825028573 608538678 /nfs/dbraw/zinc/53/86/78/608538678.db2.gz JGQKLLYSGUSHEI-UHFFFAOYSA-N -1 3 363.759 3.420 20 30 FGEDHM COc1ccccc1CC=CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826218782 608538999 /nfs/dbraw/zinc/53/89/99/608538999.db2.gz KUWVTDSBWBPSJH-VOXNPHKZSA-N -1 3 355.789 3.035 20 30 FGEDHM COc1ccccc1CC=CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826218782 608539000 /nfs/dbraw/zinc/53/90/00/608539000.db2.gz KUWVTDSBWBPSJH-VOXNPHKZSA-N -1 3 355.789 3.035 20 30 FGEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824147486 608574528 /nfs/dbraw/zinc/57/45/28/608574528.db2.gz DTJWHCUXQAWFJM-UHFFFAOYSA-N -1 3 369.816 3.201 20 30 FGEDHM CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824147486 608574529 /nfs/dbraw/zinc/57/45/29/608574529.db2.gz DTJWHCUXQAWFJM-UHFFFAOYSA-N -1 3 369.816 3.201 20 30 FGEDHM C[C@@H](C#N)CN(C)Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000824035527 608595999 /nfs/dbraw/zinc/59/59/99/608595999.db2.gz ZGEHPUKIJJJGEX-HNNXBMFYSA-N -1 3 362.437 3.037 20 30 FGEDHM C[C@@H](C#N)CN(C)Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000824035527 608596002 /nfs/dbraw/zinc/59/60/02/608596002.db2.gz ZGEHPUKIJJJGEX-HNNXBMFYSA-N -1 3 362.437 3.037 20 30 FGEDHM N#CC1(c2ccc(COC(=O)CCc3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000826380525 609244786 /nfs/dbraw/zinc/24/47/86/609244786.db2.gz DBQQNCYTOBGTDX-UHFFFAOYSA-N -1 3 373.416 3.098 20 30 FGEDHM N#CC1(c2ccc(COC(=O)CCc3ccc(-c4nn[n-]n4)cc3)cc2)CC1 ZINC000826380525 609244788 /nfs/dbraw/zinc/24/47/88/609244788.db2.gz DBQQNCYTOBGTDX-UHFFFAOYSA-N -1 3 373.416 3.098 20 30 FGEDHM N#CC1(c2ccc(COC(=O)C=Cc3ccccc3-c3nnn[n-]3)cc2)CC1 ZINC000826380879 609244899 /nfs/dbraw/zinc/24/48/99/609244899.db2.gz PBWVLLTXZDALER-YFHOEESVSA-N -1 3 371.400 3.178 20 30 FGEDHM N#CC1(c2ccc(COC(=O)C=Cc3ccccc3-c3nn[n-]n3)cc2)CC1 ZINC000826380879 609244900 /nfs/dbraw/zinc/24/49/00/609244900.db2.gz PBWVLLTXZDALER-YFHOEESVSA-N -1 3 371.400 3.178 20 30 FGEDHM O=C(C=Cc1nc2c(s1)CCCC2)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403052 609274608 /nfs/dbraw/zinc/27/46/08/609274608.db2.gz IVAJLBFUEMXRFW-FPLPWBNLSA-N -1 3 355.398 3.237 20 30 FGEDHM O=C(C=Cc1nc2c(s1)CCCC2)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403052 609274609 /nfs/dbraw/zinc/27/46/09/609274609.db2.gz IVAJLBFUEMXRFW-FPLPWBNLSA-N -1 3 355.398 3.237 20 30 FGEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1ccc([N+](=O)[O-])cc1F ZINC000826475757 609310361 /nfs/dbraw/zinc/31/03/61/609310361.db2.gz PGUNXJPVXLATGL-WQLSENKSSA-N -1 3 365.324 3.127 20 30 FGEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1ccc([N+](=O)[O-])cc1F ZINC000826475757 609310362 /nfs/dbraw/zinc/31/03/62/609310362.db2.gz PGUNXJPVXLATGL-WQLSENKSSA-N -1 3 365.324 3.127 20 30 FGEDHM N#Cc1cc(C(=O)Nc2ccc(Oc3ccccc3-c3nnn[n-]3)cc2)c[nH]1 ZINC000826383865 609444765 /nfs/dbraw/zinc/44/47/65/609444765.db2.gz VARYDCCNYYKDKT-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#Cc1cc(C(=O)Nc2ccc(Oc3ccccc3-c3nn[n-]n3)cc2)c[nH]1 ZINC000826383865 609444766 /nfs/dbraw/zinc/44/47/66/609444766.db2.gz VARYDCCNYYKDKT-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#Cc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nnn[n-]4)c3)cc2)c[nH]1 ZINC000826383902 609459637 /nfs/dbraw/zinc/45/96/37/609459637.db2.gz WSEFQNWXDGJEMJ-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#Cc1cc(C(=O)Nc2ccc(Oc3cccc(-c4nn[n-]n4)c3)cc2)c[nH]1 ZINC000826383902 609459638 /nfs/dbraw/zinc/45/96/38/609459638.db2.gz WSEFQNWXDGJEMJ-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM Clc1cc(NN=Cc2ccc(-n3ccnc3)cc2)ccc1-c1nnn[n-]1 ZINC000826351205 609472088 /nfs/dbraw/zinc/47/20/88/609472088.db2.gz CHLWKBPLUBLKDR-UHFFFAOYSA-N -1 3 364.800 3.152 20 30 FGEDHM Clc1cc(NN=Cc2ccc(-n3ccnc3)cc2)ccc1-c1nn[n-]n1 ZINC000826351205 609472089 /nfs/dbraw/zinc/47/20/89/609472089.db2.gz CHLWKBPLUBLKDR-UHFFFAOYSA-N -1 3 364.800 3.152 20 30 FGEDHM Clc1ccc2nc(C=NNc3ccc(-c4nnn[n-]4)c(Cl)c3)cn2c1 ZINC000826352689 609472649 /nfs/dbraw/zinc/47/26/49/609472649.db2.gz KOCHCKTXQLUIRI-UHFFFAOYSA-N -1 3 373.207 3.267 20 30 FGEDHM Clc1ccc2nc(C=NNc3ccc(-c4nn[n-]n4)c(Cl)c3)cn2c1 ZINC000826352689 609472651 /nfs/dbraw/zinc/47/26/51/609472651.db2.gz KOCHCKTXQLUIRI-UHFFFAOYSA-N -1 3 373.207 3.267 20 30 FGEDHM CS(=O)(=O)c1ccc(C/N=C/c2cc(Br)ccc2[O-])cc1 ZINC000031643253 695737841 /nfs/dbraw/zinc/73/78/41/695737841.db2.gz GBQPBBGZBJSEDC-LICLKQGHSA-N -1 3 368.252 3.177 20 30 FGEDHM N#Cc1ccc(CSc2nnc([N-]C(=O)c3cccc(F)n3)s2)cc1 ZINC000133759423 700841201 /nfs/dbraw/zinc/84/12/01/700841201.db2.gz WVOOJQGSLBRHIE-UHFFFAOYSA-N -1 3 371.422 3.488 20 30 FGEDHM CS(=O)(=O)Cc1ccccc1N=Cc1cc(Br)ccc1[O-] ZINC000255205889 713687750 /nfs/dbraw/zinc/68/77/50/713687750.db2.gz JJWBMXFOCPEOFF-UHFFFAOYSA-N -1 3 368.252 3.450 20 30 FGEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N1CCC(c2ccsc2)CC1 ZINC000330178002 713834633 /nfs/dbraw/zinc/83/46/33/713834633.db2.gz LGPWZXMGBPXQGS-UHFFFAOYSA-N -1 3 359.377 3.179 20 30 FGEDHM N#C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000619781988 714870655 /nfs/dbraw/zinc/87/06/55/714870655.db2.gz MBEXVJFKPXJPGM-QGZVFWFLSA-N -1 3 355.825 3.068 20 30 FGEDHM N#Cc1ccc(Cl)c(C(=O)OCc2noc(-c3ccccc3[O-])n2)c1 ZINC000803833211 724472740 /nfs/dbraw/zinc/47/27/40/724472740.db2.gz TWZYLSBKUHBIAA-UHFFFAOYSA-N -1 3 355.737 3.324 20 30 FGEDHM O=S(=O)([N-]c1ccccc1)c1ccc(NN=Cc2cccnc2)cc1 ZINC000727058455 722440663 /nfs/dbraw/zinc/44/06/63/722440663.db2.gz OMWZQPAXIMPSKC-UHFFFAOYSA-N -1 3 352.419 3.328 20 30 FGEDHM COC(=O)[C@H](Cc1ccccc1)/N=C\c1cc(Br)ccc1[O-] ZINC000730546381 722469025 /nfs/dbraw/zinc/46/90/25/722469025.db2.gz DFTRQZNJEHKCRG-VUQQOUJSSA-N -1 3 362.223 3.358 20 30 FGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccccc1OC(F)(F)F ZINC000730946706 722471998 /nfs/dbraw/zinc/47/19/98/722471998.db2.gz JJCABERHGLQSSR-UHFFFAOYSA-N -1 3 372.368 3.429 20 30 FGEDHM N#CCOc1ccc(COC(=O)c2cccc(Br)c2[O-])cc1 ZINC000733491437 722497860 /nfs/dbraw/zinc/49/78/60/722497860.db2.gz XPSYCCVUOMDXRI-UHFFFAOYSA-N -1 3 362.179 3.414 20 30 FGEDHM O=S(=O)(CCc1ccccc1)[N-]N=C1CCSc2c(F)cccc21 ZINC000743448251 722567610 /nfs/dbraw/zinc/56/76/10/722567610.db2.gz GQXJXSKBUSKHGG-UHFFFAOYSA-N -1 3 364.467 3.188 20 30 FGEDHM COc1cc(N=Cc2c([O-])c(C)ncc2CO)ccc1Br ZINC000746816777 722618795 /nfs/dbraw/zinc/61/87/95/722618795.db2.gz UKOZWAPDNXWWLJ-UHFFFAOYSA-N -1 3 351.200 3.110 20 30 FGEDHM CCCCCCCOC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000750212176 722758791 /nfs/dbraw/zinc/75/87/91/722758791.db2.gz BSXYSZNLAJYWDO-UHFFFAOYSA-N -1 3 353.893 3.193 20 30 FGEDHM Cc1ncc(CO)c(C=Nc2cc(F)c(Br)cc2F)c1[O-] ZINC000753639574 722907822 /nfs/dbraw/zinc/90/78/22/722907822.db2.gz ZODQEVWYIQTQOC-UHFFFAOYSA-N -1 3 357.154 3.379 20 30 FGEDHM CN(CCC[N-]C(=O)C(F)(F)c1c(F)cccc1F)CC(F)(F)F ZINC000756927783 722972040 /nfs/dbraw/zinc/97/20/40/722972040.db2.gz RMWQENIGFASLLS-UHFFFAOYSA-N -1 3 360.273 3.057 20 30 FGEDHM Cc1nc(Cl)cc(N=NCc2cc(O)c([O-])c(Br)c2)n1 ZINC000757585140 722977298 /nfs/dbraw/zinc/97/72/98/722977298.db2.gz YGDLAICMTMLLIE-UHFFFAOYSA-N -1 3 357.595 3.058 20 30 FGEDHM COc1cc(C=CC(=O)c2cc[nH]c(=O)c2)cc(Br)c1[O-] ZINC000791430804 723242902 /nfs/dbraw/zinc/24/29/02/723242902.db2.gz DTDJQSSAYNFOJG-IHWYPQMZSA-N -1 3 350.168 3.160 20 30 FGEDHM CC(=NNc1ccccc1S(=O)(=O)N(C)C)c1ccc([O-])c(Cl)c1 ZINC000793192571 723409712 /nfs/dbraw/zinc/40/97/12/723409712.db2.gz CKGAPIMBDWRZDO-UHFFFAOYSA-N -1 3 367.858 3.132 20 30 FGEDHM O=S(=O)(CCc1ccccc1)[N-]N=Cc1sccc1Br ZINC000764909948 723458321 /nfs/dbraw/zinc/45/83/21/723458321.db2.gz ZVSOWMLMRPAUFP-UHFFFAOYSA-N -1 3 373.297 3.007 20 30 FGEDHM COc1cc(C=NNc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])cc1[O-] ZINC000767056940 723605760 /nfs/dbraw/zinc/60/57/60/723605760.db2.gz BURRIOWVKZNNOA-UHFFFAOYSA-N -1 3 356.260 3.169 20 30 FGEDHM COc1cc(C=NNCc2ccc(C#N)cc2)cc(Br)c1[O-] ZINC000769816565 723696790 /nfs/dbraw/zinc/69/67/90/723696790.db2.gz VJMNLXDOGWBOFD-UHFFFAOYSA-N -1 3 360.211 3.159 20 30 FGEDHM C=C(CC)COC(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000773477156 723789560 /nfs/dbraw/zinc/78/95/60/723789560.db2.gz OWRSHANKDWWURT-UHFFFAOYSA-N -1 3 366.266 3.171 20 30 FGEDHM COc1ccc(CC(=O)[N-]OCc2ccc(Cl)cc2C#N)cc1OC ZINC000774760964 723927945 /nfs/dbraw/zinc/92/79/45/723927945.db2.gz HRCVSZFGMLBYLQ-UHFFFAOYSA-N -1 3 360.797 3.019 20 30 FGEDHM CC(=NOC[C@H]1CCOC1)c1c[n-]c2ccc(Br)cc2c1=O ZINC000799885873 724108023 /nfs/dbraw/zinc/10/80/23/724108023.db2.gz FITQQXLVTIXSSA-NSHDSACASA-N -1 3 365.227 3.068 20 30 FGEDHM N#Cc1ccc(C(=O)OCc2noc(-c3ccccc3[O-])n2)cc1Cl ZINC000784824476 724879468 /nfs/dbraw/zinc/87/94/68/724879468.db2.gz HPLDHCZCEVAMDS-UHFFFAOYSA-N -1 3 355.737 3.324 20 30 FGEDHM C=CCCCC[N-]S(=O)(=O)c1sc(C(=O)OC)c(Cl)c1C ZINC000788666126 725079776 /nfs/dbraw/zinc/07/97/76/725079776.db2.gz LOBUWDWEDYNKNJ-UHFFFAOYSA-N -1 3 351.877 3.131 20 30 FGEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cnn(CCF)c1 ZINC000808979984 725222011 /nfs/dbraw/zinc/22/20/11/725222011.db2.gz QJVZSNQLIIKZJT-CYBMUJFWSA-N -1 3 369.183 3.121 20 30 FGEDHM C#CCC1(OC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c2)CCC1 ZINC000810751647 725326464 /nfs/dbraw/zinc/32/64/64/725326464.db2.gz DLOHDUPVILYFKH-UHFFFAOYSA-N -1 3 367.442 3.005 20 30 FGEDHM N#Cc1ccc(O[C@H]2CCN(Cc3cccc(Br)c3[O-])C2)nc1 ZINC000814170964 726944355 /nfs/dbraw/zinc/94/43/55/726944355.db2.gz FQIHYEVWPXIHSA-AWEZNQCLSA-N -1 3 374.238 3.075 20 30 FGEDHM O=S(=O)(CCc1ccccc1)NN=Cc1ccc2ccccc2c1[O-] ZINC000814858856 727006564 /nfs/dbraw/zinc/00/65/64/727006564.db2.gz IHCRISRVMAFRBO-UHFFFAOYSA-N -1 3 354.431 3.041 20 30 FGEDHM O=C(/C=C\c1ccc(-c2ccccc2Cl)s1)N[C@@H]1CCN([O-])C1=O ZINC000820184639 728972819 /nfs/dbraw/zinc/97/28/19/728972819.db2.gz CDNQGCZNRPCQGP-IQCBXXCUSA-N -1 3 362.838 3.188 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC[C@@H]1CC1(Cl)Cl ZINC000820207751 728974563 /nfs/dbraw/zinc/97/45/63/728974563.db2.gz ORMVAAPLUHADLQ-LLVKDONJSA-N -1 3 357.237 3.335 20 30 FGEDHM COc1cc(C(=O)/C=C\c2cc(Br)c([O-])c(OC)c2)on1 ZINC000821022812 729051759 /nfs/dbraw/zinc/05/17/59/729051759.db2.gz VFOFHTRHMIONEL-ARJAWSKDSA-N -1 3 354.156 3.056 20 30 FGEDHM O=C(C=Cc1cc(-c2nnn[n-]2)cs1)c1c(Cl)nc2ccccn21 ZINC000822923056 729232881 /nfs/dbraw/zinc/23/28/81/729232881.db2.gz NLDYBOYSPFRHHQ-PLNGDYQASA-N -1 3 356.798 3.125 20 30 FGEDHM O=C(C=Cc1cc(-c2nn[n-]n2)cs1)c1c(Cl)nc2ccccn21 ZINC000822923056 729232883 /nfs/dbraw/zinc/23/28/83/729232883.db2.gz NLDYBOYSPFRHHQ-PLNGDYQASA-N -1 3 356.798 3.125 20 30 FGEDHM C=CCN(CC=C)C(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000823904298 729312339 /nfs/dbraw/zinc/31/23/39/729312339.db2.gz ZZGXBHPOLVIFMU-LLVKDONJSA-N -1 3 363.874 3.201 20 30 FGEDHM C=CCN(CC=C)C(=O)[C@@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000823904298 729312341 /nfs/dbraw/zinc/31/23/41/729312341.db2.gz ZZGXBHPOLVIFMU-LLVKDONJSA-N -1 3 363.874 3.201 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCSC2(CCC2)C1 ZINC000834762568 729832371 /nfs/dbraw/zinc/83/23/71/729832371.db2.gz YGFMTRNPFMQCEM-AWEZNQCLSA-N -1 3 359.495 3.143 20 30 FGEDHM Cn1nccc1[C@@H]1C[C@H](/N=C/c2cc(Br)ccc2[O-])CCO1 ZINC000840708660 730164622 /nfs/dbraw/zinc/16/46/22/730164622.db2.gz IBZLVAZTLMRBFS-DHHRWSQASA-N -1 3 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Cc1cc(F)ccc1CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443348613 500713654 /nfs/dbraw/zinc/71/36/54/500713654.db2.gz BVAAWIZSVVQCLC-UHFFFAOYSA-N -1 3 352.818 3.180 20 30 FGEDHM C=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)OC)c1ccccc1 ZINC000588138664 506217028 /nfs/dbraw/zinc/21/70/28/506217028.db2.gz MNHGFYIQXAPUDR-UHFFFAOYSA-N -1 3 365.838 3.118 20 30 FGEDHM N#Cc1ccc(C2(C(=O)Nc3nnc(-c4c(F)cccc4F)[n-]3)CC2)cc1 ZINC000444679458 500877860 /nfs/dbraw/zinc/87/78/60/500877860.db2.gz MRRAEHZGPWHRKG-UHFFFAOYSA-N -1 3 365.343 3.292 20 30 FGEDHM N#Cc1ccc(C2(C(=O)Nc3nc(-c4c(F)cccc4F)n[n-]3)CC2)cc1 ZINC000444679458 500877862 /nfs/dbraw/zinc/87/78/62/500877862.db2.gz MRRAEHZGPWHRKG-UHFFFAOYSA-N -1 3 365.343 3.292 20 30 FGEDHM N#Cc1ccc(C2(C(=O)Nc3n[n-]c(-c4c(F)cccc4F)n3)CC2)cc1 ZINC000444679458 500877864 /nfs/dbraw/zinc/87/78/64/500877864.db2.gz MRRAEHZGPWHRKG-UHFFFAOYSA-N -1 3 365.343 3.292 20 30 FGEDHM CCO[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000444994308 500930402 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CCSC1(C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 ZINC000595349344 507468285 /nfs/dbraw/zinc/46/82/85/507468285.db2.gz XQYCDZVEKZLESZ-UHFFFAOYSA-N -1 3 364.414 3.141 20 30 FGEDHM CC(C)n1cc([C@H](C)[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cn1 ZINC000611017830 507485396 /nfs/dbraw/zinc/48/53/96/507485396.db2.gz LJQLCZGOGCCWNZ-NSHDSACASA-N -1 3 352.847 3.029 20 30 FGEDHM N#Cc1ccc(CNC(=O)Cc2ccc(Br)cc2[O-])c(F)c1 ZINC000614916186 507694696 /nfs/dbraw/zinc/69/46/96/507694696.db2.gz WRPXGNMJHKOZCB-UHFFFAOYSA-N -1 3 363.186 3.024 20 30 FGEDHM C=C(C)CNC(=S)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735402623 598827152 /nfs/dbraw/zinc/82/71/52/598827152.db2.gz ZNVAQXUVBIMRST-UHFFFAOYSA-N -1 3 370.507 3.135 20 30 FGEDHM C=CCCCCCN(C)C(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735408829 598838145 /nfs/dbraw/zinc/83/81/45/598838145.db2.gz RXXZQJDIRMNFKW-GOSISDBHSA-N -1 3 368.485 3.040 20 30 FGEDHM N#Cc1cc(NC(=O)C=Cc2ccc(Cl)cc2)ccc1-c1nnn[n-]1 ZINC000737705241 598928544 /nfs/dbraw/zinc/92/85/44/598928544.db2.gz 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ZINC000737081905 599156218 /nfs/dbraw/zinc/15/62/18/599156218.db2.gz RQPAUVJLQCEZDI-KXFIGUGUSA-N -1 3 363.352 3.392 20 30 FGEDHM COc1ccc(C=CC(=O)c2c[nH]c3cc(F)ccc32)cc1-c1nn[n-]n1 ZINC000737081905 599156222 /nfs/dbraw/zinc/15/62/22/599156222.db2.gz RQPAUVJLQCEZDI-KXFIGUGUSA-N -1 3 363.352 3.392 20 30 FGEDHM COc1ccc(C=CC(=O)c2cn(C)c3ccccc23)cc1-c1nnn[n-]1 ZINC000737081911 599156408 /nfs/dbraw/zinc/15/64/08/599156408.db2.gz RSXNGSRQQKLYAM-CLFYSBASSA-N -1 3 359.389 3.263 20 30 FGEDHM COc1ccc(C=CC(=O)c2cn(C)c3ccccc23)cc1-c1nn[n-]n1 ZINC000737081911 599156410 /nfs/dbraw/zinc/15/64/10/599156410.db2.gz RSXNGSRQQKLYAM-CLFYSBASSA-N -1 3 359.389 3.263 20 30 FGEDHM N#Cc1c(CSc2ccc(-c3nnn[n-]3)cc2F)cn2ccccc12 ZINC000737705735 599171725 /nfs/dbraw/zinc/17/17/25/599171725.db2.gz QLFBDDLLHKVNBO-UHFFFAOYSA-N -1 3 350.382 3.422 20 30 FGEDHM N#Cc1c(CSc2ccc(-c3nn[n-]n3)cc2F)cn2ccccc12 ZINC000737705735 599171728 /nfs/dbraw/zinc/17/17/28/599171728.db2.gz QLFBDDLLHKVNBO-UHFFFAOYSA-N -1 3 350.382 3.422 20 30 FGEDHM C=CC[C@H](C)NC(=O)c1cccc(COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000735409958 599203698 /nfs/dbraw/zinc/20/36/98/599203698.db2.gz PYAICTJTQFZTHV-AWEZNQCLSA-N -1 3 363.421 3.140 20 30 FGEDHM C=CC[C@H](C)NC(=O)c1cccc(COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000735409958 599203700 /nfs/dbraw/zinc/20/37/00/599203700.db2.gz PYAICTJTQFZTHV-AWEZNQCLSA-N -1 3 363.421 3.140 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1OCc1cc(Cl)ccc1OCC#N ZINC000737220804 599234792 /nfs/dbraw/zinc/23/47/92/599234792.db2.gz FLLLQWPDIRYRRR-UHFFFAOYSA-N -1 3 355.785 3.310 20 30 FGEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000821109217 607304980 /nfs/dbraw/zinc/30/49/80/607304980.db2.gz CWZLERQDGNAODW-UHFFFAOYSA-N -1 3 363.381 3.063 20 30 FGEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000821109217 607304981 /nfs/dbraw/zinc/30/49/81/607304981.db2.gz CWZLERQDGNAODW-UHFFFAOYSA-N -1 3 363.381 3.063 20 30 FGEDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000736818711 598277135 /nfs/dbraw/zinc/27/71/35/598277135.db2.gz WHDLGOCVKJDSAC-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000736818711 598277136 /nfs/dbraw/zinc/27/71/36/598277136.db2.gz WHDLGOCVKJDSAC-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM C#CCOc1ccc([C@@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000735380702 598417014 /nfs/dbraw/zinc/41/70/14/598417014.db2.gz LJLOTTSUVURJRX-NRMKIYEFSA-N -1 3 374.400 3.196 20 30 FGEDHM C#CCOc1ccc([C@@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000735380702 598417015 /nfs/dbraw/zinc/41/70/15/598417015.db2.gz LJLOTTSUVURJRX-NRMKIYEFSA-N -1 3 374.400 3.196 20 30 FGEDHM COc1cc(C)c(C(C)=NNc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000737041979 598546926 /nfs/dbraw/zinc/54/69/26/598546926.db2.gz YCFCSRDWKBGDIS-UHFFFAOYSA-N -1 3 352.398 3.028 20 30 FGEDHM COc1cc(C)c(C(C)=NNc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000737041979 598546928 /nfs/dbraw/zinc/54/69/28/598546928.db2.gz YCFCSRDWKBGDIS-UHFFFAOYSA-N -1 3 352.398 3.028 20 30 FGEDHM C#CCOc1ccccc1CNc1cc(-c2nnn[n-]2)c2ccccc2n1 ZINC000735387664 599438656 /nfs/dbraw/zinc/43/86/56/599438656.db2.gz DUBWQQPEVIFSOH-UHFFFAOYSA-N -1 3 356.389 3.039 20 30 FGEDHM C#CCOc1ccccc1CNc1cc(-c2nn[n-]n2)c2ccccc2n1 ZINC000735387664 599438658 /nfs/dbraw/zinc/43/86/58/599438658.db2.gz DUBWQQPEVIFSOH-UHFFFAOYSA-N -1 3 356.389 3.039 20 30 FGEDHM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820254532 599631240 /nfs/dbraw/zinc/63/12/40/599631240.db2.gz QRXOQFBOOGMHSG-LBPRGKRZSA-N -1 3 364.384 3.085 20 30 FGEDHM C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820254532 599631241 /nfs/dbraw/zinc/63/12/41/599631241.db2.gz QRXOQFBOOGMHSG-LBPRGKRZSA-N -1 3 364.384 3.085 20 30 FGEDHM CC#CCOC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000819766430 599661853 /nfs/dbraw/zinc/66/18/53/599661853.db2.gz YJOSDEHWCLNRBY-UHFFFAOYSA-N -1 3 368.780 3.493 20 30 FGEDHM N#CCC[C@H](NC(=O)Nc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000826381200 607394834 /nfs/dbraw/zinc/39/48/34/607394834.db2.gz BDTMDTNMDREKIK-HNNXBMFYSA-N -1 3 365.372 3.172 20 30 FGEDHM N#CCC[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000826381200 607394835 /nfs/dbraw/zinc/39/48/35/607394835.db2.gz BDTMDTNMDREKIK-HNNXBMFYSA-N -1 3 365.372 3.172 20 30 FGEDHM Cc1c(C)n(C2CCCC2)c(NC(=O)CN(CCC(=O)[O-])C(C)C)c1C#N ZINC000738252892 600446648 /nfs/dbraw/zinc/44/66/48/600446648.db2.gz KDBZLAJDRMJDCO-UHFFFAOYSA-N -1 3 374.485 3.215 20 30 FGEDHM N#Cc1ccc([C@H](NCc2cc(Cl)c3c(c2)OCCCO3)C(=O)[O-])cc1 ZINC000739107619 600562915 /nfs/dbraw/zinc/56/29/15/600562915.db2.gz SDUJBJAFVXGVCF-KRWDZBQOSA-N -1 3 372.808 3.288 20 30 FGEDHM N#Cc1ccc([C@H](NCc2cccc(OCC(F)(F)F)c2)C(=O)[O-])cc1 ZINC000739108658 600594159 /nfs/dbraw/zinc/59/41/59/600594159.db2.gz VYFQAKVCYYMNGN-INIZCTEOSA-N -1 3 364.323 3.415 20 30 FGEDHM C=CCN(Cc1ccc(OC)c(-c2nnn[n-]2)c1)Cc1ccccc1F ZINC000823909972 607487828 /nfs/dbraw/zinc/48/78/28/607487828.db2.gz UQBCHALXDBSKHR-UHFFFAOYSA-N -1 3 353.401 3.203 20 30 FGEDHM C=CCN(Cc1ccc(OC)c(-c2nn[n-]n2)c1)Cc1ccccc1F ZINC000823909972 607487829 /nfs/dbraw/zinc/48/78/29/607487829.db2.gz UQBCHALXDBSKHR-UHFFFAOYSA-N -1 3 353.401 3.203 20 30 FGEDHM CC1CCN(c2ccc(CN[C@H](C(=O)[O-])c3cccc(C#N)c3)cn2)CC1 ZINC000828303371 601300320 /nfs/dbraw/zinc/30/03/20/601300320.db2.gz PURZXKNEPPYBNX-FQEVSTJZSA-N -1 3 364.449 3.105 20 30 FGEDHM COc1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC(F)F ZINC000832340253 601300741 /nfs/dbraw/zinc/30/07/41/601300741.db2.gz BRCCANCXRDEXOH-MRXNPFEDSA-N -1 3 362.332 3.084 20 30 FGEDHM CCCCNC(=O)c1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829402537 601300920 /nfs/dbraw/zinc/30/09/20/601300920.db2.gz WMVIOHOEESWDJT-IBGZPJMESA-N -1 3 365.433 3.004 20 30 FGEDHM Cc1cc(N(CCC#N)C(=O)CN(CCC(=O)[O-])C(C)C)ccc1Cl ZINC000832889371 601863682 /nfs/dbraw/zinc/86/36/82/601863682.db2.gz RDEZRCFZUKWBQL-UHFFFAOYSA-N -1 3 365.861 3.080 20 30 FGEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])CC1 ZINC000738485230 602679305 /nfs/dbraw/zinc/67/93/05/602679305.db2.gz GICDWEDDOVIWAO-UHFFFAOYSA-N -1 3 372.469 3.279 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N(CC(C)C)c1ccc(C#N)cc1 ZINC000826244069 607675302 /nfs/dbraw/zinc/67/53/02/607675302.db2.gz GCABLSCOGGGIMI-UHFFFAOYSA-N -1 3 360.421 3.350 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N(CC(C)C)c1ccc(C#N)cc1 ZINC000826244069 607675303 /nfs/dbraw/zinc/67/53/03/607675303.db2.gz GCABLSCOGGGIMI-UHFFFAOYSA-N -1 3 360.421 3.350 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccccc1SCCC#N ZINC000826250887 607686948 /nfs/dbraw/zinc/68/69/48/607686948.db2.gz XFJCETXCSZIDIM-UHFFFAOYSA-N -1 3 364.434 3.433 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccccc1SCCC#N ZINC000826250887 607686949 /nfs/dbraw/zinc/68/69/49/607686949.db2.gz XFJCETXCSZIDIM-UHFFFAOYSA-N -1 3 364.434 3.433 20 30 FGEDHM C[C@H](CC(=O)C(C#N)c1nc2ccccc2o1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000824552999 604412982 /nfs/dbraw/zinc/41/29/82/604412982.db2.gz TXNSFQKZFSYSFJ-HZSPNIEDSA-N -1 3 355.394 3.420 20 30 FGEDHM C=CCc1cc(CN2Cc3ccccc3C[C@@H]2C(=O)[O-])cc(OC)c1O ZINC000825705518 604466945 /nfs/dbraw/zinc/46/69/45/604466945.db2.gz KOYXMQVYKGFAGK-GOSISDBHSA-N -1 3 353.418 3.141 20 30 FGEDHM CC(C)(C#N)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819892174 606256548 /nfs/dbraw/zinc/25/65/48/606256548.db2.gz XREXOUQLCONWFW-UHFFFAOYSA-N -1 3 364.434 3.050 20 30 FGEDHM CC(C)(C#N)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819892174 606256550 /nfs/dbraw/zinc/25/65/50/606256550.db2.gz XREXOUQLCONWFW-UHFFFAOYSA-N -1 3 364.434 3.050 20 30 FGEDHM C#CCN(CC)C(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819697323 606436627 /nfs/dbraw/zinc/43/66/27/606436627.db2.gz APMAGIAAXICJHN-UHFFFAOYSA-N -1 3 362.393 3.146 20 30 FGEDHM C#CCN(CC)C(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819697323 606436629 /nfs/dbraw/zinc/43/66/29/606436629.db2.gz APMAGIAAXICJHN-UHFFFAOYSA-N -1 3 362.393 3.146 20 30 FGEDHM CC(C)CN(C(=O)c1cc(-c2nnn[n-]2)cs1)c1ccc(C#N)cc1 ZINC000820081435 606491822 /nfs/dbraw/zinc/49/18/22/606491822.db2.gz GHJOENQRFUDDGC-UHFFFAOYSA-N -1 3 352.423 3.103 20 30 FGEDHM CC(C)CN(C(=O)c1cc(-c2nn[n-]n2)cs1)c1ccc(C#N)cc1 ZINC000820081435 606491824 /nfs/dbraw/zinc/49/18/24/606491824.db2.gz GHJOENQRFUDDGC-UHFFFAOYSA-N -1 3 352.423 3.103 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc(C(C)C)n1 ZINC000819745621 606801079 /nfs/dbraw/zinc/80/10/79/606801079.db2.gz MNYWZLDFBLLGDO-UHFFFAOYSA-N -1 3 362.437 3.214 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc(C(C)C)n1 ZINC000819745621 606801080 /nfs/dbraw/zinc/80/10/80/606801080.db2.gz MNYWZLDFBLLGDO-UHFFFAOYSA-N -1 3 362.437 3.214 20 30 FGEDHM COc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000821787454 606837250 /nfs/dbraw/zinc/83/72/50/606837250.db2.gz UCPYGQBARCQBHX-UHFFFAOYSA-N -1 3 368.344 3.402 20 30 FGEDHM COc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000821787454 606837252 /nfs/dbraw/zinc/83/72/52/606837252.db2.gz UCPYGQBARCQBHX-UHFFFAOYSA-N -1 3 368.344 3.402 20 30 FGEDHM N#Cc1cc(Br)ccc1OCc1ccc(-c2nnn[n-]2)cc1F ZINC000822818532 607032159 /nfs/dbraw/zinc/03/21/59/607032159.db2.gz BVCDKYDWMMGHJR-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM N#Cc1cc(Br)ccc1OCc1ccc(-c2nn[n-]n2)cc1F ZINC000822818532 607032161 /nfs/dbraw/zinc/03/21/61/607032161.db2.gz BVCDKYDWMMGHJR-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(F)c(Cl)c1 ZINC000819745672 607149923 /nfs/dbraw/zinc/14/99/23/607149923.db2.gz OSKMUGUPZMLYOB-UHFFFAOYSA-N -1 3 371.803 3.488 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(F)c(Cl)c1 ZINC000819745672 607149924 /nfs/dbraw/zinc/14/99/24/607149924.db2.gz OSKMUGUPZMLYOB-UHFFFAOYSA-N -1 3 371.803 3.488 20 30 FGEDHM O=C1c2cc3c(cc2OCCC1=Cc1cc(-c2nnn[n-]2)cs1)CCC3 ZINC000823498400 607171602 /nfs/dbraw/zinc/17/16/02/607171602.db2.gz NUQSEBDQRJCXFG-AWNIVKPZSA-N -1 3 364.430 3.466 20 30 FGEDHM O=C1c2cc3c(cc2OCCC1=Cc1cc(-c2nn[n-]n2)cs1)CCC3 ZINC000823498400 607171603 /nfs/dbraw/zinc/17/16/03/607171603.db2.gz NUQSEBDQRJCXFG-AWNIVKPZSA-N -1 3 364.430 3.466 20 30 FGEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000821612133 607203291 /nfs/dbraw/zinc/20/32/91/607203291.db2.gz KKPOEPBIJJOETK-UHFFFAOYSA-N -1 3 367.800 3.056 20 30 FGEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C#N)cc1Cl ZINC000821612133 607203292 /nfs/dbraw/zinc/20/32/92/607203292.db2.gz KKPOEPBIJJOETK-UHFFFAOYSA-N -1 3 367.800 3.056 20 30 FGEDHM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000824457576 607926153 /nfs/dbraw/zinc/92/61/53/607926153.db2.gz QDGXSFSWUQETNV-NSHDSACASA-N -1 3 366.812 3.209 20 30 FGEDHM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000824457576 607926154 /nfs/dbraw/zinc/92/61/54/607926154.db2.gz QDGXSFSWUQETNV-NSHDSACASA-N -1 3 366.812 3.209 20 30 FGEDHM C=C[C@H](CC(=O)OCc1ccc(F)cc1-c1nnn[n-]1)c1ccccc1 ZINC000823883627 607981083 /nfs/dbraw/zinc/98/10/83/607981083.db2.gz VYSVFHBNWZFCKB-CYBMUJFWSA-N -1 3 352.369 3.409 20 30 FGEDHM C=C[C@H](CC(=O)OCc1ccc(F)cc1-c1nn[n-]n1)c1ccccc1 ZINC000823883627 607981084 /nfs/dbraw/zinc/98/10/84/607981084.db2.gz VYSVFHBNWZFCKB-CYBMUJFWSA-N -1 3 352.369 3.409 20 30 FGEDHM COc1ccc(CSCc2cc(-c3nnn[n-]3)ccc2F)cc1C#N ZINC000826208138 607983859 /nfs/dbraw/zinc/98/38/59/607983859.db2.gz VKQLFAXZQIHNKE-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM COc1ccc(CSCc2cc(-c3nn[n-]n3)ccc2F)cc1C#N ZINC000826208138 607983860 /nfs/dbraw/zinc/98/38/60/607983860.db2.gz VKQLFAXZQIHNKE-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM C=C[C@@H](CC(=O)N(C)c1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000823883546 608003693 /nfs/dbraw/zinc/00/36/93/608003693.db2.gz SZKGCRFVTZIOJE-ZDUSSCGKSA-N -1 3 351.385 3.329 20 30 FGEDHM C=C[C@@H](CC(=O)N(C)c1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823883546 608003694 /nfs/dbraw/zinc/00/36/94/608003694.db2.gz SZKGCRFVTZIOJE-ZDUSSCGKSA-N -1 3 351.385 3.329 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cccc(-c3ccoc3)c2)cc1-c1nnn[n-]1 ZINC000826385402 608028114 /nfs/dbraw/zinc/02/81/14/608028114.db2.gz KONYDDLFVQGYRI-UHFFFAOYSA-N -1 3 356.345 3.251 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cccc(-c3ccoc3)c2)cc1-c1nn[n-]n1 ZINC000826385402 608028115 /nfs/dbraw/zinc/02/81/15/608028115.db2.gz KONYDDLFVQGYRI-UHFFFAOYSA-N -1 3 356.345 3.251 20 30 FGEDHM C=CCNC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000823926077 608047171 /nfs/dbraw/zinc/04/71/71/608047171.db2.gz YMWGOLFJVXOQFY-UHFFFAOYSA-N -1 3 355.785 3.228 20 30 FGEDHM C=CCNC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000823926077 608047172 /nfs/dbraw/zinc/04/71/72/608047172.db2.gz YMWGOLFJVXOQFY-UHFFFAOYSA-N -1 3 355.785 3.228 20 30 FGEDHM N#Cc1cccc(OCCSCc2cccc(-c3nnn[n-]3)c2F)c1 ZINC000826387504 608405497 /nfs/dbraw/zinc/40/54/97/608405497.db2.gz YSBASTUVIGWXJS-UHFFFAOYSA-N -1 3 355.398 3.190 20 30 FGEDHM N#Cc1cccc(OCCSCc2cccc(-c3nn[n-]n3)c2F)c1 ZINC000826387504 608405499 /nfs/dbraw/zinc/40/54/99/608405499.db2.gz YSBASTUVIGWXJS-UHFFFAOYSA-N -1 3 355.398 3.190 20 30 FGEDHM N#Cc1ccc(Oc2ccc(Oc3ccc(-c4nn[n-]n4)cc3)cc2)nn1 ZINC000826386146 608428251 /nfs/dbraw/zinc/42/82/51/608428251.db2.gz 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CC[C@@](C)([N-]S(=O)(=O)c1ccc(C#N)cc1F)c1nc(C)cs1 ZINC000525702619 714369864 /nfs/dbraw/zinc/36/98/64/714369864.db2.gz STBNGVCUIOPUER-OAHLLOKOSA-N -1 3 353.444 3.066 20 30 FGEDHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C#N)c(Cl)c2)c(F)cc1F ZINC000619752970 714866694 /nfs/dbraw/zinc/86/66/94/714866694.db2.gz GJMMAFNHCDIOJF-UHFFFAOYSA-N -1 3 356.781 3.277 20 30 FGEDHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc(C#N)ccn3)nc(=O)c2c1C ZINC000803849869 724474327 /nfs/dbraw/zinc/47/43/27/724474327.db2.gz WWZVWTBREWTKGE-SECBINFHSA-N -1 3 354.391 3.198 20 30 FGEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccccc1OC(F)F ZINC000743448901 722567557 /nfs/dbraw/zinc/56/75/57/722567557.db2.gz GMBFRFLTCQUUAH-UHFFFAOYSA-N -1 3 368.405 3.174 20 30 FGEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1cccc(OC(F)F)c1 ZINC000743448529 722567612 /nfs/dbraw/zinc/56/76/12/722567612.db2.gz TYQWPQQEMVNFNI-UHFFFAOYSA-N -1 3 368.405 3.174 20 30 FGEDHM CCCCCCC[C@@H](C)CNC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000751362590 722802949 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COc1ccc(NC(=O)C(C#N)=C([O-])c2occ3c2CCC3)cc1Cl ZINC000796791199 723655118 /nfs/dbraw/zinc/65/51/18/723655118.db2.gz DDVSXNDVZPEAQJ-CYBMUJFWSA-N -1 3 358.781 3.391 20 30 FGEDHM C=CCOc1ccc(-c2nnc(SCc3nc(C)cc(=O)[n-]3)o2)cc1 ZINC000768462326 723658345 /nfs/dbraw/zinc/65/83/45/723658345.db2.gz SPKRIBSBCMINEE-UHFFFAOYSA-N -1 3 356.407 3.398 20 30 FGEDHM C#C[C@H](CCC)[N-]S(=O)(=O)c1cccc(Cl)c1Br ZINC000770393479 723712973 /nfs/dbraw/zinc/71/29/73/723712973.db2.gz OVDKTJDWLWOMMS-SECBINFHSA-N -1 3 350.665 3.183 20 30 FGEDHM COc1cc(C=NOC2CCCC2)cc(I)c1[O-] ZINC000774602474 723909943 /nfs/dbraw/zinc/90/99/43/723909943.db2.gz KIQKMNQIUWVNFT-UHFFFAOYSA-N -1 3 361.179 3.299 20 30 FGEDHM Cc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000776280121 724127794 /nfs/dbraw/zinc/12/77/94/724127794.db2.gz OLVQLHDMBQGRTH-NSHDSACASA-N -1 3 358.781 3.410 20 30 FGEDHM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000800052188 724136737 /nfs/dbraw/zinc/13/67/37/724136737.db2.gz KIKPUZYLKOLLPE-UHFFFAOYSA-N -1 3 369.761 3.368 20 30 FGEDHM N#CCOc1ccc(Cl)cc1COC(=O)c1cc(F)cc2[n-]nnc21 ZINC000800257866 724172312 /nfs/dbraw/zinc/17/23/12/724172312.db2.gz NRJRJXIMZUXPGX-UHFFFAOYSA-N -1 3 360.732 3.010 20 30 FGEDHM N#CCOc1ccc(Cl)cc1COC(=O)c1cc(F)cc2nn[n-]c21 ZINC000800257866 724172314 /nfs/dbraw/zinc/17/23/14/724172314.db2.gz NRJRJXIMZUXPGX-UHFFFAOYSA-N -1 3 360.732 3.010 20 30 FGEDHM N#CCOc1ccc(Cl)cc1COC(=O)c1cc(F)cc2n[n-]nc21 ZINC000800257866 724172316 /nfs/dbraw/zinc/17/23/16/724172316.db2.gz NRJRJXIMZUXPGX-UHFFFAOYSA-N -1 3 360.732 3.010 20 30 FGEDHM C#C[C@H](NC(=O)CCc1c(C)nc(C)[n-]c1=O)c1ccc(Cl)cc1F ZINC000807688300 725165934 /nfs/dbraw/zinc/16/59/34/725165934.db2.gz ILZUDCKINGGCBA-INIZCTEOSA-N -1 3 361.804 3.015 20 30 FGEDHM Cc1c(Cl)cccc1NC(=O)[C@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811186493 725349556 /nfs/dbraw/zinc/34/95/56/725349556.db2.gz PLNHUIRCKGVLCU-NSHDSACASA-N -1 3 358.781 3.410 20 30 FGEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1ncc(-c2ccccc2)s1 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357.780 3.207 20 30 FGEDHM Fc1ccc2c(c1)C(N=Nc1cc(-c3nn[n-]n3)cc(Cl)n1)CCC2 ZINC000826375761 729407665 /nfs/dbraw/zinc/40/76/65/729407665.db2.gz AUDOXWPORZKXTJ-UHFFFAOYSA-N -1 3 357.780 3.207 20 30 FGEDHM CCOc1cc(C=NN[C@H](C)C(F)(F)F)cc(Br)c1[O-] ZINC000834996110 729848940 /nfs/dbraw/zinc/84/89/40/729848940.db2.gz OBZJVZSBOFXKED-SSDOTTSWSA-N -1 3 355.154 3.428 20 30 FGEDHM C=CCO[N-]C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000837043433 729989036 /nfs/dbraw/zinc/98/90/36/729989036.db2.gz BVKWOZMVJMYEKY-LBPRGKRZSA-N -1 3 357.237 3.079 20 30 FGEDHM CS(=O)(=O)CC1CCC(/N=C\c2cc(Br)ccc2[O-])CC1 ZINC000840708182 730164603 /nfs/dbraw/zinc/16/46/03/730164603.db2.gz UUAFEHSJWHVBNF-MFOYZWKCSA-N -1 3 374.300 3.177 20 30 FGEDHM S=c1[n-]nc(SCc2ccccc2)n1N=Cc1cn(C2CCC2)nn1 ZINC000853280186 731690960 /nfs/dbraw/zinc/69/09/60/731690960.db2.gz HINZNJOZZWEZFG-UHFFFAOYSA-N -1 3 371.495 3.058 20 30 FGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c1[O-] ZINC000864346804 733048797 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FGEDHM N#C[C@H](NC(=O)c1cc(F)cc2[n-]nnc21)c1cccc(C(F)(F)F)c1 ZINC000503622179 503448009 /nfs/dbraw/zinc/44/80/09/503448009.db2.gz KDGYRHMGVIFPPP-ZDUSSCGKSA-N -1 3 363.274 3.110 20 30 FGEDHM N#C[C@H](NC(=O)c1cc(F)cc2n[n-]nc21)c1cccc(C(F)(F)F)c1 ZINC000503622179 503448014 /nfs/dbraw/zinc/44/80/14/503448014.db2.gz KDGYRHMGVIFPPP-ZDUSSCGKSA-N -1 3 363.274 3.110 20 30 FGEDHM Cc1cc(S(=O)(=O)[N-][C@](C)(C#N)C(C)(C)C)sc1Br ZINC000494368664 503531594 /nfs/dbraw/zinc/53/15/94/503531594.db2.gz PDVCIALRLNDMOX-GFCCVEGCSA-N -1 3 365.318 3.426 20 30 FGEDHM C=CCCc1ccccc1NC(=O)CC[N-]S(=O)(=O)c1cccs1 ZINC000504285099 503548896 /nfs/dbraw/zinc/54/88/96/503548896.db2.gz YIPZLADFUDOTLK-UHFFFAOYSA-N -1 3 364.492 3.174 20 30 FGEDHM CC(C)C(=O)Nc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)ccn1 ZINC000495221586 503703724 /nfs/dbraw/zinc/70/37/24/503703724.db2.gz QAYUJXVBIYZADG-AWEZNQCLSA-N -1 3 361.405 3.053 20 30 FGEDHM COCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)cc1C#N ZINC000530144618 503853166 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CCN(C[C@H](C)C#N)C(=O)c1c[n-]c2c(OC(F)(F)F)cccc2c1=O ZINC000544390532 504114950 /nfs/dbraw/zinc/11/49/50/504114950.db2.gz MJLNAUGICMKAJB-SNVBAGLBSA-N -1 3 367.327 3.048 20 30 FGEDHM N#Cc1cc(C(=O)N=c2cc(-c3cccc([N+](=O)[O-])c3)[n-][nH]2)ccc1Cl ZINC000538687469 504326719 /nfs/dbraw/zinc/32/67/19/504326719.db2.gz UAQIPEFMDICPIB-UHFFFAOYSA-N -1 3 367.752 3.184 20 30 FGEDHM CCC(C#N)(CC)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000528860423 504420607 /nfs/dbraw/zinc/42/06/07/504420607.db2.gz HKAQUCJMXZULFE-INIZCTEOSA-N -1 3 363.889 3.456 20 30 FGEDHM N#CC(=C([O-])c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccncn1 ZINC000545448240 504490828 /nfs/dbraw/zinc/49/08/28/504490828.db2.gz QHFRKUHWTOIBIS-NSHDSACASA-N -1 3 359.267 3.035 20 30 FGEDHM N#CC1(CS(=O)(=O)[N-][C@@H](c2nccs2)c2ccccc2)CCCC1 ZINC000546064293 504695117 /nfs/dbraw/zinc/69/51/17/504695117.db2.gz VWZJADCBPLZYCX-OAHLLOKOSA-N -1 3 361.492 3.236 20 30 FGEDHM C[C@@H]1CC(CC[N-]S(=O)(=O)c2ccc(Cl)cc2C#N)C[C@@H](C)O1 ZINC000549251727 504773894 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N#Cc1cccc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)n1 ZINC000589270737 506504554 /nfs/dbraw/zinc/50/45/54/506504554.db2.gz FYGZFAYMWININL-UHFFFAOYSA-N -1 3 353.432 3.349 20 30 FGEDHM Cc1ccc(CN2CCCC2)cc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000589587336 506592224 /nfs/dbraw/zinc/59/22/24/506592224.db2.gz AQVFLRPXTYTHSP-UHFFFAOYSA-N -1 3 369.490 3.458 20 30 FGEDHM C[C@H]1Oc2ccccc2[C@H]1[N-]S(=O)(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000593596711 506697405 /nfs/dbraw/zinc/69/74/05/506697405.db2.gz TYALQMDDTNPPAN-ACJLOTCBSA-N -1 3 356.447 3.288 20 30 FGEDHM CCN1CCc2ccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)cc21 ZINC000609065429 506768848 /nfs/dbraw/zinc/76/88/48/506768848.db2.gz AZIPAXFCDLUVPO-UHFFFAOYSA-N -1 3 364.449 3.229 20 30 FGEDHM CSc1ccc([C@@H](CNC(=O)c2cc([O-])cc(C#N)c2)N(C)C)cc1 ZINC000590532401 506852491 /nfs/dbraw/zinc/85/24/91/506852491.db2.gz RSXZHLYSIBQICS-GOSISDBHSA-N -1 3 355.463 3.018 20 30 FGEDHM CCOC(=O)c1nc(CC)oc1[N-]C(=O)[C@H](C)Cc1ccc(C#N)cc1 ZINC000593997828 506872991 /nfs/dbraw/zinc/87/29/91/506872991.db2.gz PQYIWIMRBGJDLP-GFCCVEGCSA-N -1 3 355.394 3.103 20 30 FGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C1CCC(OC(F)F)CC1 ZINC000590764558 506942319 /nfs/dbraw/zinc/94/23/19/506942319.db2.gz PVIQTTPWFHBVGE-UHFFFAOYSA-N -1 3 364.801 3.040 20 30 FGEDHM COc1ccc(C([O-])=C(C#N)c2nc3c(cccc3C)[nH]2)cc1[N+](=O)[O-] ZINC000609831296 507017763 /nfs/dbraw/zinc/01/77/63/507017763.db2.gz VBAUVOVNQWCUIC-GFCCVEGCSA-N -1 3 350.334 3.278 20 30 FGEDHM COc1ccc(C([O-])=C(C#N)c2nc3cccc(C)c3[nH]2)cc1[N+](=O)[O-] ZINC000609831296 507017765 /nfs/dbraw/zinc/01/77/65/507017765.db2.gz VBAUVOVNQWCUIC-GFCCVEGCSA-N -1 3 350.334 3.278 20 30 FGEDHM N#Cc1ccccc1-c1ccc(CN2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)cc1 ZINC000591037575 507089716 /nfs/dbraw/zinc/08/97/16/507089716.db2.gz MYVIGAVMFRWOCH-SFHVURJKSA-N -1 3 359.433 3.429 20 30 FGEDHM Cc1ccc(OCCCC[N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000610082866 507094021 /nfs/dbraw/zinc/09/40/21/507094021.db2.gz NFOSPDFTBVXCPZ-UHFFFAOYSA-N -1 3 362.426 3.143 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@H]2CCSc3ccc(F)cc32)c(F)c1 ZINC000610082060 507094516 /nfs/dbraw/zinc/09/45/16/507094516.db2.gz IIABSWSYHVXBNG-AWEZNQCLSA-N -1 3 366.414 3.352 20 30 FGEDHM Cc1cc(C#N)ccc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)(F)F ZINC000610134074 507111531 /nfs/dbraw/zinc/11/15/31/507111531.db2.gz WISCMJRNFSJXGK-OAHLLOKOSA-N -1 3 354.353 3.449 20 30 FGEDHM CC(C)c1cnc(S(=O)(=O)Cc2cc(C#N)ccc2Br)[n-]1 ZINC000600892304 507162700 /nfs/dbraw/zinc/16/27/00/507162700.db2.gz LNXMZNYXBBQXPD-UHFFFAOYSA-N -1 3 368.256 3.141 20 30 FGEDHM CC(C)c1c[n-]c(S(=O)(=O)Cc2cc(C#N)ccc2Br)n1 ZINC000600892304 507162701 /nfs/dbraw/zinc/16/27/01/507162701.db2.gz LNXMZNYXBBQXPD-UHFFFAOYSA-N -1 3 368.256 3.141 20 30 FGEDHM N#CC[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000597914734 507171648 /nfs/dbraw/zinc/17/16/48/507171648.db2.gz YHUSNXUUIQTEAT-NSHDSACASA-N -1 3 374.238 3.056 20 30 FGEDHM C=CCCSCC[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000594815631 507288163 /nfs/dbraw/zinc/28/81/63/507288163.db2.gz ZUEBGQBEZPGENE-UHFFFAOYSA-N -1 3 357.394 3.432 20 30 FGEDHM N#CCSCCCSc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC000594929275 507319898 /nfs/dbraw/zinc/31/98/98/507319898.db2.gz SSRHKJDMJOSARN-UHFFFAOYSA-N -1 3 371.491 3.319 20 30 FGEDHM N#CCCC[C@H]([N-]S(=O)(=O)c1c[nH]nc1C(F)(F)F)c1ccccc1 ZINC000601418864 507360085 /nfs/dbraw/zinc/36/00/85/507360085.db2.gz AUBXQZDBIZYIKU-LBPRGKRZSA-N -1 3 372.372 3.142 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CCCn2nccc21 ZINC000601539402 507382974 /nfs/dbraw/zinc/38/29/74/507382974.db2.gz KNMBQVKBGGGCQV-AWEZNQCLSA-N -1 3 372.475 3.091 20 30 FGEDHM CC(C)(C#N)c1ccc(CN2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000614170594 507393080 /nfs/dbraw/zinc/39/30/80/507393080.db2.gz GWQLVGNLEBEMPZ-UHFFFAOYSA-N -1 3 363.461 3.151 20 30 FGEDHM CN(C(=O)c1c[n-]c2ccc(Br)cc2c1=O)[C@H]1CCC[C@H]1C#N ZINC000601808884 507466919 /nfs/dbraw/zinc/46/69/19/507466919.db2.gz PLBFEYLSXMYTCV-BONVTDFDSA-N -1 3 374.238 3.055 20 30 FGEDHM Cc1ccnc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C1CC1 ZINC000598761925 507589479 /nfs/dbraw/zinc/58/94/79/507589479.db2.gz CUWOACDAEGHTLK-UHFFFAOYSA-N -1 3 350.422 3.428 20 30 FGEDHM CCC[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000592382887 507630371 /nfs/dbraw/zinc/63/03/71/507630371.db2.gz UHUDVNGFOMKKFP-NSHDSACASA-N -1 3 365.680 3.214 20 30 FGEDHM N#Cc1cccc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)n1 ZINC000737730216 598854596 /nfs/dbraw/zinc/85/45/96/598854596.db2.gz HKSRDIITRWFUMB-UHFFFAOYSA-N -1 3 359.418 3.474 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cnc(-c3ccccc3)s2)cc1-c1nnn[n-]1 ZINC000737719798 598916113 /nfs/dbraw/zinc/91/61/13/598916113.db2.gz VYMQFIAVTOVEFX-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cnc(-c3ccccc3)s2)cc1-c1nn[n-]n1 ZINC000737719798 598916114 /nfs/dbraw/zinc/91/61/14/598916114.db2.gz VYMQFIAVTOVEFX-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000737716793 598927442 /nfs/dbraw/zinc/92/74/42/598927442.db2.gz UWKNTZVJVUMNBS-ZBFHGGJFSA-N -1 3 364.796 3.134 20 30 FGEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000737716793 598927444 /nfs/dbraw/zinc/92/74/44/598927444.db2.gz UWKNTZVJVUMNBS-ZBFHGGJFSA-N -1 3 364.796 3.134 20 30 FGEDHM COc1ccc(C=C2CSc3ccccc3C2=O)cc1-c1nnn[n-]1 ZINC000737085158 599154045 /nfs/dbraw/zinc/15/40/45/599154045.db2.gz YZANRPCBNPLRCR-WQLSENKSSA-N -1 3 350.403 3.247 20 30 FGEDHM COc1ccc(C=C2CSc3ccccc3C2=O)cc1-c1nn[n-]n1 ZINC000737085158 599154048 /nfs/dbraw/zinc/15/40/48/599154048.db2.gz YZANRPCBNPLRCR-WQLSENKSSA-N -1 3 350.403 3.247 20 30 FGEDHM COc1ccc(C=C2COc3ccc(C)c(C)c3C2=O)cc1-c1nnn[n-]1 ZINC000737084453 599157035 /nfs/dbraw/zinc/15/70/35/599157035.db2.gz UKQAFCWQKAIAQC-ZSOIEALJSA-N -1 3 362.389 3.151 20 30 FGEDHM COc1ccc(C=C2COc3ccc(C)c(C)c3C2=O)cc1-c1nn[n-]n1 ZINC000737084453 599157038 /nfs/dbraw/zinc/15/70/38/599157038.db2.gz UKQAFCWQKAIAQC-ZSOIEALJSA-N -1 3 362.389 3.151 20 30 FGEDHM N#Cc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1-c1nnn[n-]1 ZINC000737703861 599191501 /nfs/dbraw/zinc/19/15/01/599191501.db2.gz GAZIASVPDRAFJQ-UHFFFAOYSA-N -1 3 358.405 3.189 20 30 FGEDHM N#Cc1cc(NC(=O)C2(c3ccccc3)CCCC2)ccc1-c1nn[n-]n1 ZINC000737703861 599191503 /nfs/dbraw/zinc/19/15/03/599191503.db2.gz GAZIASVPDRAFJQ-UHFFFAOYSA-N -1 3 358.405 3.189 20 30 FGEDHM Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cccc1-c1nnn[n-]1 ZINC000822084484 607286334 /nfs/dbraw/zinc/28/63/34/607286334.db2.gz KXXDKKIPLAHEBO-UHFFFAOYSA-N -1 3 373.420 3.243 20 30 FGEDHM Cc1c(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cccc1-c1nn[n-]n1 ZINC000822084484 607286335 /nfs/dbraw/zinc/28/63/35/607286335.db2.gz KXXDKKIPLAHEBO-UHFFFAOYSA-N -1 3 373.420 3.243 20 30 FGEDHM N#CCCCOc1cccc(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737686726 598364203 /nfs/dbraw/zinc/36/42/03/598364203.db2.gz DAGQXLHPEKUGKO-MDZDMXLPSA-N -1 3 359.389 3.445 20 30 FGEDHM N#CCCCOc1cccc(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737686726 598364205 /nfs/dbraw/zinc/36/42/05/598364205.db2.gz DAGQXLHPEKUGKO-MDZDMXLPSA-N -1 3 359.389 3.445 20 30 FGEDHM Cc1c(C(=O)C=Cc2cccc(Cl)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202507 598377440 /nfs/dbraw/zinc/37/74/40/598377440.db2.gz MYSBRMPKGUZMBN-FPLPWBNLSA-N -1 3 353.813 3.472 20 30 FGEDHM Cc1c(C(=O)C=Cc2cccc(Cl)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202507 598377441 /nfs/dbraw/zinc/37/74/41/598377441.db2.gz MYSBRMPKGUZMBN-FPLPWBNLSA-N -1 3 353.813 3.472 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(F)cc2F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202072 598378550 /nfs/dbraw/zinc/37/85/50/598378550.db2.gz JAZSFBWEERXBAW-ALCCZGGFSA-N -1 3 355.348 3.097 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(F)cc2F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202072 598378551 /nfs/dbraw/zinc/37/85/51/598378551.db2.gz JAZSFBWEERXBAW-ALCCZGGFSA-N -1 3 355.348 3.097 20 30 FGEDHM C#CCOc1ccccc1[C@H](C)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735387592 598416923 /nfs/dbraw/zinc/41/69/23/598416923.db2.gz AUICUAHMXMCHOM-LHNRBYRGSA-N -1 3 374.400 3.196 20 30 FGEDHM C#CCOc1ccccc1[C@H](C)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735387592 598416925 /nfs/dbraw/zinc/41/69/25/598416925.db2.gz AUICUAHMXMCHOM-LHNRBYRGSA-N -1 3 374.400 3.196 20 30 FGEDHM C#CCOc1ccccc1[C@@H](C)OC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735387595 598417703 /nfs/dbraw/zinc/41/77/03/598417703.db2.gz AUICUAHMXMCHOM-WIDZWVOGSA-N -1 3 374.400 3.196 20 30 FGEDHM C#CCOc1ccccc1[C@@H](C)OC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735387595 598417705 /nfs/dbraw/zinc/41/77/05/598417705.db2.gz AUICUAHMXMCHOM-WIDZWVOGSA-N -1 3 374.400 3.196 20 30 FGEDHM CC(C)N(Cc1ccc(-c2nn[n-]n2)cc1)Cc1ccc(F)cc1C#N ZINC000735874052 598683074 /nfs/dbraw/zinc/68/30/74/598683074.db2.gz LUEIPADWEJIOKJ-UHFFFAOYSA-N -1 3 350.401 3.288 20 30 FGEDHM N#Cc1cc(F)ccc1CSCCOc1ccccc1-c1nnn[n-]1 ZINC000737704370 598697231 /nfs/dbraw/zinc/69/72/31/598697231.db2.gz HPKNYTMMTDAMLG-UHFFFAOYSA-N -1 3 355.398 3.190 20 30 FGEDHM N#Cc1cc(F)ccc1CSCCOc1ccccc1-c1nn[n-]n1 ZINC000737704370 598697232 /nfs/dbraw/zinc/69/72/32/598697232.db2.gz HPKNYTMMTDAMLG-UHFFFAOYSA-N -1 3 355.398 3.190 20 30 FGEDHM C=CCCCN(C)C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819739777 599294038 /nfs/dbraw/zinc/29/40/38/599294038.db2.gz HEPJGDNVIKRCCG-UHFFFAOYSA-N -1 3 354.336 3.315 20 30 FGEDHM C=CCCCN(C)C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819739777 599294039 /nfs/dbraw/zinc/29/40/39/599294039.db2.gz HEPJGDNVIKRCCG-UHFFFAOYSA-N -1 3 354.336 3.315 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1c[nH]c2cc(F)ccc12 ZINC000737804661 599463948 /nfs/dbraw/zinc/46/39/48/599463948.db2.gz DHSXLYTXICKNCJ-HYXAFXHYSA-N -1 3 373.351 3.031 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1c[nH]c2cc(F)ccc12 ZINC000737804661 599463949 /nfs/dbraw/zinc/46/39/49/599463949.db2.gz DHSXLYTXICKNCJ-HYXAFXHYSA-N -1 3 373.351 3.031 20 30 FGEDHM C=CCC[C@@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000819733889 607404391 /nfs/dbraw/zinc/40/43/91/607404391.db2.gz DQLPPNXECWCDEC-QGZVFWFLSA-N -1 3 363.421 3.069 20 30 FGEDHM C=CCC[C@@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000819733889 607404393 /nfs/dbraw/zinc/40/43/93/607404393.db2.gz DQLPPNXECWCDEC-QGZVFWFLSA-N -1 3 363.421 3.069 20 30 FGEDHM CN(CCCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000737415271 599911760 /nfs/dbraw/zinc/91/17/60/599911760.db2.gz JRSHHQTYFVRRPU-GFCCVEGCSA-N -1 3 372.208 3.031 20 30 FGEDHM COc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC(F)F ZINC000738008088 600593683 /nfs/dbraw/zinc/59/36/83/600593683.db2.gz BGOSBXBCQJZXTD-INIZCTEOSA-N -1 3 362.332 3.084 20 30 FGEDHM CC[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000827514297 605230881 /nfs/dbraw/zinc/23/08/81/605230881.db2.gz LRNUGZDZMRJTLH-STQMWFEESA-N -1 3 359.407 3.041 20 30 FGEDHM C[C@@H](CC#N)NC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000820220387 606265194 /nfs/dbraw/zinc/26/51/94/606265194.db2.gz SUFFQLHEUIXCQP-LBPRGKRZSA-N -1 3 364.434 3.050 20 30 FGEDHM C[C@@H](CC#N)NC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000820220387 606265196 /nfs/dbraw/zinc/26/51/96/606265196.db2.gz SUFFQLHEUIXCQP-LBPRGKRZSA-N -1 3 364.434 3.050 20 30 FGEDHM C#CCN(CC)C(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819697637 606315961 /nfs/dbraw/zinc/31/59/61/606315961.db2.gz IUKMMBVFRHVIAE-UHFFFAOYSA-N -1 3 363.446 3.113 20 30 FGEDHM C#CCN(CC)C(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819697637 606315962 /nfs/dbraw/zinc/31/59/62/606315962.db2.gz IUKMMBVFRHVIAE-UHFFFAOYSA-N -1 3 363.446 3.113 20 30 FGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1c(Cl)nc2ccccn21 ZINC000822922229 606393070 /nfs/dbraw/zinc/39/30/70/606393070.db2.gz DRVJIFJZWGRFDK-XQRVVYSFSA-N -1 3 356.798 3.125 20 30 FGEDHM CCN(C(=O)c1ccc(C#N)s1)[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821160946 606505282 /nfs/dbraw/zinc/50/52/82/606505282.db2.gz RWOMWEOLADQQHA-LLVKDONJSA-N -1 3 352.423 3.023 20 30 FGEDHM CCN(C(=O)c1ccc(C#N)s1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821160946 606505283 /nfs/dbraw/zinc/50/52/83/606505283.db2.gz RWOMWEOLADQQHA-LLVKDONJSA-N -1 3 352.423 3.023 20 30 FGEDHM COc1cc(-c2nnn[n-]2)ccc1OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000821700160 606637823 /nfs/dbraw/zinc/63/78/23/606637823.db2.gz FSCUBRGJNPRQQU-UHFFFAOYSA-N -1 3 374.322 3.325 20 30 FGEDHM COc1cc(-c2nn[n-]n2)ccc1OCC#Cc1ccc(C(F)(F)F)cc1 ZINC000821700160 606637824 /nfs/dbraw/zinc/63/78/24/606637824.db2.gz FSCUBRGJNPRQQU-UHFFFAOYSA-N -1 3 374.322 3.325 20 30 FGEDHM FC(F)(F)c1ccc(C#CCSc2cc(-c3nnn[n-]3)ccn2)cc1 ZINC000822723917 606638023 /nfs/dbraw/zinc/63/80/23/606638023.db2.gz SQAPNKWZVUWYHU-UHFFFAOYSA-N -1 3 361.352 3.424 20 30 FGEDHM FC(F)(F)c1ccc(C#CCSc2cc(-c3nn[n-]n3)ccn2)cc1 ZINC000822723917 606638024 /nfs/dbraw/zinc/63/80/24/606638024.db2.gz SQAPNKWZVUWYHU-UHFFFAOYSA-N -1 3 361.352 3.424 20 30 FGEDHM C=C[C@@H](C)NC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819729814 606834034 /nfs/dbraw/zinc/83/40/34/606834034.db2.gz NEPPEPQQRIPHEJ-GFCCVEGCSA-N -1 3 350.382 3.355 20 30 FGEDHM C=C[C@@H](C)NC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819729814 606834035 /nfs/dbraw/zinc/83/40/35/606834035.db2.gz NEPPEPQQRIPHEJ-GFCCVEGCSA-N -1 3 350.382 3.355 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1Oc1ccc(C(=O)O[C@@H](C)CC#N)cc1 ZINC000822143626 606839920 /nfs/dbraw/zinc/83/99/20/606839920.db2.gz DMOIEWQZFCFPOO-ZDUSSCGKSA-N -1 3 363.377 3.426 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1Oc1ccc(C(=O)O[C@@H](C)CC#N)cc1 ZINC000822143626 606839921 /nfs/dbraw/zinc/83/99/21/606839921.db2.gz DMOIEWQZFCFPOO-ZDUSSCGKSA-N -1 3 363.377 3.426 20 30 FGEDHM N#Cc1cccc(COC(=O)c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)c1 ZINC000822837155 606890758 /nfs/dbraw/zinc/89/07/58/606890758.db2.gz HGBQYHQZUKTESX-UHFFFAOYSA-N -1 3 373.294 3.114 20 30 FGEDHM N#Cc1cccc(COC(=O)c2ccc(C(F)(F)F)cc2-c2nn[n-]n2)c1 ZINC000822837155 606890760 /nfs/dbraw/zinc/89/07/60/606890760.db2.gz HGBQYHQZUKTESX-UHFFFAOYSA-N -1 3 373.294 3.114 20 30 FGEDHM CC(C)Oc1ccc(C#N)cc1NCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000820155763 606926821 /nfs/dbraw/zinc/92/68/21/606926821.db2.gz WPVLGDPHQMUASB-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM CC(C)Oc1ccc(C#N)cc1NCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000820155763 606926823 /nfs/dbraw/zinc/92/68/23/606926823.db2.gz WPVLGDPHQMUASB-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM Cc1c2c(nc(SCc3cc(F)ccc3-c3nnn[n-]3)c1C#N)CCC2 ZINC000822014864 607037779 /nfs/dbraw/zinc/03/77/79/607037779.db2.gz AJNLDKZBEJXAFU-UHFFFAOYSA-N -1 3 366.425 3.362 20 30 FGEDHM Cc1c2c(nc(SCc3cc(F)ccc3-c3nn[n-]n3)c1C#N)CCC2 ZINC000822014864 607037781 /nfs/dbraw/zinc/03/77/81/607037781.db2.gz AJNLDKZBEJXAFU-UHFFFAOYSA-N -1 3 366.425 3.362 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000822801693 607071084 /nfs/dbraw/zinc/07/10/84/607071084.db2.gz MOISLSCYCAGOGH-RBUKOAKNSA-N -1 3 362.412 3.278 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(F)c(F)cc2F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822015529 607122360 /nfs/dbraw/zinc/12/23/60/607122360.db2.gz MBXVKUVEMKLBME-PLNGDYQASA-N -1 3 373.338 3.236 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(F)c(F)cc2F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822015529 607122361 /nfs/dbraw/zinc/12/23/61/607122361.db2.gz MBXVKUVEMKLBME-PLNGDYQASA-N -1 3 373.338 3.236 20 30 FGEDHM Cc1c(C(=O)C=Cc2cnc(Cl)c(C)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000822198823 607148804 /nfs/dbraw/zinc/14/88/04/607148804.db2.gz LGMZRCZCZQBKSH-WAYWQWQTSA-N -1 3 368.828 3.176 20 30 FGEDHM Cc1c(C(=O)C=Cc2cnc(Cl)c(C)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000822198823 607148805 /nfs/dbraw/zinc/14/88/05/607148805.db2.gz LGMZRCZCZQBKSH-WAYWQWQTSA-N -1 3 368.828 3.176 20 30 FGEDHM FC(F)Oc1ccc(NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)cc1 ZINC000822737249 607149247 /nfs/dbraw/zinc/14/92/47/607149247.db2.gz RURIOAFPLPKZJA-UHFFFAOYSA-N -1 3 369.335 3.395 20 30 FGEDHM FC(F)Oc1ccc(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cc1 ZINC000822737249 607149249 /nfs/dbraw/zinc/14/92/49/607149249.db2.gz RURIOAFPLPKZJA-UHFFFAOYSA-N -1 3 369.335 3.395 20 30 FGEDHM O=C(/C=C\c1c(C2CC2)nc2sccn12)c1ccc(-c2nn[n-]n2)cc1 ZINC000822924286 607185740 /nfs/dbraw/zinc/18/57/40/607185740.db2.gz ZXPSUWWYONVYRK-FPLPWBNLSA-N -1 3 362.418 3.349 20 30 FGEDHM CC(=Cc1ccccc1Cl)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000823942345 607925913 /nfs/dbraw/zinc/92/59/13/607925913.db2.gz BOPBULNFRSMVPJ-DHZHZOJOSA-N -1 3 364.796 3.434 20 30 FGEDHM CC(=Cc1ccccc1Cl)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000823942345 607925914 /nfs/dbraw/zinc/92/59/14/607925914.db2.gz BOPBULNFRSMVPJ-DHZHZOJOSA-N -1 3 364.796 3.434 20 30 FGEDHM C=C[C@H](CC(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883173 607980642 /nfs/dbraw/zinc/98/06/42/607980642.db2.gz KFFXEAOWNLEMGG-CQSZACIVSA-N -1 3 352.369 3.409 20 30 FGEDHM C=C[C@H](CC(=O)OCc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883173 607980643 /nfs/dbraw/zinc/98/06/43/607980643.db2.gz KFFXEAOWNLEMGG-CQSZACIVSA-N -1 3 352.369 3.409 20 30 FGEDHM C=C[C@H](CC(=O)OCCOc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000823883757 607981009 /nfs/dbraw/zinc/98/10/09/607981009.db2.gz ZYNDEUMOOMRNEW-OAHLLOKOSA-N -1 3 364.405 3.149 20 30 FGEDHM C=C[C@H](CC(=O)OCCOc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000823883757 607981010 /nfs/dbraw/zinc/98/10/10/607981010.db2.gz ZYNDEUMOOMRNEW-OAHLLOKOSA-N -1 3 364.405 3.149 20 30 FGEDHM C[C@H](C#N)OC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824034600 608059635 /nfs/dbraw/zinc/05/96/35/608059635.db2.gz MCAYJEVKFNDXOB-SNVBAGLBSA-N -1 3 369.768 3.381 20 30 FGEDHM C[C@H](C#N)OC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824034600 608059636 /nfs/dbraw/zinc/05/96/36/608059636.db2.gz MCAYJEVKFNDXOB-SNVBAGLBSA-N -1 3 369.768 3.381 20 30 FGEDHM N#Cc1cc(F)c(N2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(F)c1 ZINC000826384358 608444294 /nfs/dbraw/zinc/44/42/94/608444294.db2.gz RWUSKAJWRQVKOA-UHFFFAOYSA-N -1 3 364.359 3.310 20 30 FGEDHM N#Cc1cc(F)c(N2CC=C(c3ccc(-c4nn[n-]n4)cc3)CC2)c(F)c1 ZINC000826384358 608444295 /nfs/dbraw/zinc/44/42/95/608444295.db2.gz RWUSKAJWRQVKOA-UHFFFAOYSA-N -1 3 364.359 3.310 20 30 FGEDHM CCCCO[C@H]1CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)C1(C)C ZINC000825290686 608535392 /nfs/dbraw/zinc/53/53/92/608535392.db2.gz FEJBTSWKGLJRPD-LBPRGKRZSA-N -1 3 363.853 3.298 20 30 FGEDHM CCCCO[C@H]1CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)C1(C)C ZINC000825290686 608535394 /nfs/dbraw/zinc/53/53/94/608535394.db2.gz FEJBTSWKGLJRPD-LBPRGKRZSA-N -1 3 363.853 3.298 20 30 FGEDHM COc1ccc2c(c1)C(N=Nc1cc(-c3nnn[n-]3)cc(Cl)n1)CCC2 ZINC000826212282 608537513 /nfs/dbraw/zinc/53/75/13/608537513.db2.gz LSXFHWOVTAONMM-UHFFFAOYSA-N -1 3 369.816 3.076 20 30 FGEDHM COc1ccc2c(c1)C(N=Nc1cc(-c3nn[n-]n3)cc(Cl)n1)CCC2 ZINC000826212282 608537514 /nfs/dbraw/zinc/53/75/14/608537514.db2.gz LSXFHWOVTAONMM-UHFFFAOYSA-N -1 3 369.816 3.076 20 30 FGEDHM CC(CCc1cccc(F)c1)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824406429 608538422 /nfs/dbraw/zinc/53/84/22/608538422.db2.gz JTQGFBCBWVHMMQ-UHFFFAOYSA-N -1 3 359.796 3.475 20 30 FGEDHM CC(CCc1cccc(F)c1)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824406429 608538423 /nfs/dbraw/zinc/53/84/23/608538423.db2.gz JTQGFBCBWVHMMQ-UHFFFAOYSA-N -1 3 359.796 3.475 20 30 FGEDHM Clc1cc(-c2nnn[n-]2)cc(NN=C2CCSc3ccccc32)n1 ZINC000826350278 608542648 /nfs/dbraw/zinc/54/26/48/608542648.db2.gz PDONVFTUWRDRCC-UHFFFAOYSA-N -1 3 357.830 3.227 20 30 FGEDHM Clc1cc(-c2nn[n-]n2)cc(NN=C2CCSc3ccccc32)n1 ZINC000826350278 608542649 /nfs/dbraw/zinc/54/26/49/608542649.db2.gz PDONVFTUWRDRCC-UHFFFAOYSA-N -1 3 357.830 3.227 20 30 FGEDHM Cc1sc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c(-c2nnn[n-]2)c1C ZINC000826349915 609145466 /nfs/dbraw/zinc/14/54/66/609145466.db2.gz ZLLCQZCEDCIGHJ-UHFFFAOYSA-N -1 3 364.434 3.353 20 30 FGEDHM Cc1sc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c(-c2nn[n-]n2)c1C ZINC000826349915 609145467 /nfs/dbraw/zinc/14/54/67/609145467.db2.gz ZLLCQZCEDCIGHJ-UHFFFAOYSA-N -1 3 364.434 3.353 20 30 FGEDHM CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825265763 609248494 /nfs/dbraw/zinc/24/84/94/609248494.db2.gz AZFQVUZROHAMOH-BBRMVZONSA-N -1 3 358.446 3.015 20 30 FGEDHM CCCC[C@H](ON=C(C)C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825265763 609248495 /nfs/dbraw/zinc/24/84/95/609248495.db2.gz AZFQVUZROHAMOH-BBRMVZONSA-N -1 3 358.446 3.015 20 30 FGEDHM O=C(C=Cc1cnn(Cc2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403456 609274943 /nfs/dbraw/zinc/27/49/43/609274943.db2.gz SNBLVJJBKZNPRT-TWGQIWQCSA-N -1 3 374.379 3.147 20 30 FGEDHM O=C(C=Cc1cnn(Cc2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403456 609274945 /nfs/dbraw/zinc/27/49/45/609274945.db2.gz SNBLVJJBKZNPRT-TWGQIWQCSA-N -1 3 374.379 3.147 20 30 FGEDHM N#Cc1ccc(OCc2ccc(-c3nnn[n-]3)cc2Br)cc1 ZINC000826386224 609306881 /nfs/dbraw/zinc/30/68/81/609306881.db2.gz VGVAGRDVFDLPTL-UHFFFAOYSA-N -1 3 356.183 3.080 20 30 FGEDHM N#Cc1ccc(OCc2ccc(-c3nn[n-]n3)cc2Br)cc1 ZINC000826386224 609306883 /nfs/dbraw/zinc/30/68/83/609306883.db2.gz VGVAGRDVFDLPTL-UHFFFAOYSA-N -1 3 356.183 3.080 20 30 FGEDHM COc1cc(C)c(C(C)=NNCc2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000826177771 609469731 /nfs/dbraw/zinc/46/97/31/609469731.db2.gz UTVBGYRBVKJFKZ-UHFFFAOYSA-N -1 3 350.426 3.006 20 30 FGEDHM COc1cc(C)c(C(C)=NNCc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000826177771 609469733 /nfs/dbraw/zinc/46/97/33/609469733.db2.gz UTVBGYRBVKJFKZ-UHFFFAOYSA-N -1 3 350.426 3.006 20 30 FGEDHM CCCn1nc(C)c(C=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1C ZINC000825362864 609475973 /nfs/dbraw/zinc/47/59/73/609475973.db2.gz RYNHVDWPQXRKEN-UHFFFAOYSA-N -1 3 358.837 3.189 20 30 FGEDHM CCCn1nc(C)c(C=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1C ZINC000825362864 609475974 /nfs/dbraw/zinc/47/59/74/609475974.db2.gz RYNHVDWPQXRKEN-UHFFFAOYSA-N -1 3 358.837 3.189 20 30 FGEDHM C=CCc1cc(CNc2cc(-c3nnn[n-]3)ccc2C)cc(OC)c1O ZINC000823937201 609477985 /nfs/dbraw/zinc/47/79/85/609477985.db2.gz MEXHCANGZSIMCU-UHFFFAOYSA-N -1 3 351.410 3.230 20 30 FGEDHM C=CCc1cc(CNc2cc(-c3nn[n-]n3)ccc2C)cc(OC)c1O ZINC000823937201 609477987 /nfs/dbraw/zinc/47/79/87/609477987.db2.gz MEXHCANGZSIMCU-UHFFFAOYSA-N -1 3 351.410 3.230 20 30 FGEDHM COc1ccc(-c2nnn[n-]2)cc1NCc1cccc(OCCCC#N)c1 ZINC000826186839 609483757 /nfs/dbraw/zinc/48/37/57/609483757.db2.gz MLIKICARNGMQBJ-UHFFFAOYSA-N -1 3 364.409 3.170 20 30 FGEDHM COc1ccc(-c2nn[n-]n2)cc1NCc1cccc(OCCCC#N)c1 ZINC000826186839 609483759 /nfs/dbraw/zinc/48/37/59/609483759.db2.gz MLIKICARNGMQBJ-UHFFFAOYSA-N -1 3 364.409 3.170 20 30 FGEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1SCCCc1ccccc1Cl ZINC000826383871 609486501 /nfs/dbraw/zinc/48/65/01/609486501.db2.gz VEZFDWZPNCSYDD-UHFFFAOYSA-N -1 3 371.857 3.094 20 30 FGEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1SCCCc1ccccc1Cl ZINC000826383871 609486503 /nfs/dbraw/zinc/48/65/03/609486503.db2.gz VEZFDWZPNCSYDD-UHFFFAOYSA-N -1 3 371.857 3.094 20 30 FGEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Oc2ccccc2)o1 ZINC000823861445 609516176 /nfs/dbraw/zinc/51/61/76/609516176.db2.gz JBPGIIAHNNVMIH-UHFFFAOYSA-N -1 3 360.377 3.376 20 30 FGEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Oc2ccccc2)o1 ZINC000823861445 609516178 /nfs/dbraw/zinc/51/61/78/609516178.db2.gz JBPGIIAHNNVMIH-UHFFFAOYSA-N -1 3 360.377 3.376 20 30 FGEDHM N#Cc1cc(Cl)ccc1COC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826383914 609617870 /nfs/dbraw/zinc/61/78/70/609617870.db2.gz XJIFOSMKEDICBU-UHFFFAOYSA-N -1 3 367.796 3.068 20 30 FGEDHM N#Cc1cc(Cl)ccc1COC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000826383914 609617872 /nfs/dbraw/zinc/61/78/72/609617872.db2.gz XJIFOSMKEDICBU-UHFFFAOYSA-N -1 3 367.796 3.068 20 30 FGEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccnc(Cl)c2)C1=O ZINC000123092401 700700261 /nfs/dbraw/zinc/70/02/61/700700261.db2.gz OUWZJEKKXFAGDG-QGZVFWFLSA-N -1 3 366.849 3.051 20 30 FGEDHM CC(C)(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n[nH]1 ZINC000130253149 700798639 /nfs/dbraw/zinc/79/86/39/700798639.db2.gz YYHWUHWYPDRRQB-JTQLQIEISA-N -1 3 362.792 3.461 20 30 FGEDHM CC(C)(C)OC(=O)NCc1nc(C(=O)[N-]c2sccc2C#N)cs1 ZINC000171985280 705403953 /nfs/dbraw/zinc/40/39/53/705403953.db2.gz ORYXBCQXMCWAKD-UHFFFAOYSA-N -1 3 364.452 3.353 20 30 FGEDHM C#CCCC[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC000173787830 705471493 /nfs/dbraw/zinc/47/14/93/705471493.db2.gz JSTGNCXVOZLNML-UHFFFAOYSA-N -1 3 370.190 3.160 20 30 FGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N([C@H](C)CC)[C@H](C)CC)ccc1F ZINC000184950789 712679287 /nfs/dbraw/zinc/67/92/87/712679287.db2.gz OBESWJXTOSWVDR-ZIAGYGMSSA-N -1 3 370.490 3.329 20 30 FGEDHM CCCc1nc(C)c(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)s1 ZINC000193471415 712892548 /nfs/dbraw/zinc/89/25/48/712892548.db2.gz VDXWBZHKNSBQFN-GFCCVEGCSA-N -1 3 357.435 3.374 20 30 FGEDHM O=S1(=O)C[C@@H](/N=C\c2cc(Br)ccc2[O-])c2ccccc21 ZINC000255453992 713696874 /nfs/dbraw/zinc/69/68/74/713696874.db2.gz AOOUWLUIVKVKPO-RSQQOUAVSA-N -1 3 366.236 3.102 20 30 FGEDHM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1cccc(CC#N)c1 ZINC000619463798 714839283 /nfs/dbraw/zinc/83/92/83/714839283.db2.gz GOAASCUFEGNEKR-UHFFFAOYSA-N -1 3 352.419 3.048 20 30 FGEDHM CC(C)COC[C@@H]([N-]S(=O)(=O)c1cccc(CC#N)c1)c1ccco1 ZINC000619480628 714842560 /nfs/dbraw/zinc/84/25/60/714842560.db2.gz GBELHMPDPRBVDH-QGZVFWFLSA-N -1 3 362.451 3.038 20 30 FGEDHM C#C[C@H](NC(=O)c1cc(NC(C)=O)ccc1[O-])c1ccc(Cl)cc1F ZINC000804424579 724515800 /nfs/dbraw/zinc/51/58/00/724515800.db2.gz LXZIJTNSXADZLX-INIZCTEOSA-N -1 3 360.772 3.247 20 30 FGEDHM C=CCC1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCOCC1 ZINC000657127039 719569690 /nfs/dbraw/zinc/56/96/90/719569690.db2.gz ANZZNXFDPMDMQZ-UHFFFAOYSA-N -1 3 350.267 3.397 20 30 FGEDHM N#CCOc1ccc(Cl)cc1CO[N-]C(=O)CCOc1ccccc1 ZINC000735302746 722514600 /nfs/dbraw/zinc/51/46/00/722514600.db2.gz DRGXJODPHIXJBV-UHFFFAOYSA-N -1 3 360.797 3.259 20 30 FGEDHM CCCCCCCC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000752256214 722851364 /nfs/dbraw/zinc/85/13/64/722851364.db2.gz HEPMDZKFGMOGFR-UHFFFAOYSA-N -1 3 366.936 3.157 20 30 FGEDHM CCc1ccc(C=Nn2c(=S)[n-]nc2[C@@H]2COc3ccccc3O2)o1 ZINC000760234357 723044514 /nfs/dbraw/zinc/04/45/14/723044514.db2.gz QHZXXRQVCLVCJR-HNNXBMFYSA-N -1 3 356.407 3.117 20 30 FGEDHM [O-]c1ccc(F)c(C=NN2C(=S)N=NC2c2ccccc2F)c1F ZINC000794471273 723525958 /nfs/dbraw/zinc/52/59/58/723525958.db2.gz PKAVZEVQXIYOCZ-UHFFFAOYSA-N -1 3 350.325 3.239 20 30 FGEDHM C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)C[C@H]1CCCOC1 ZINC000795316339 723581431 /nfs/dbraw/zinc/58/14/31/723581431.db2.gz LUHLSIFMPVTTFY-KBPBESRZSA-N -1 3 354.497 3.249 20 30 FGEDHM O=S(=O)(Cc1ccccc1)[N-]N=Cc1ccc(F)cc1C(F)(F)F ZINC000771877601 723744298 /nfs/dbraw/zinc/74/42/98/723744298.db2.gz VBNMJUWVNFUYDL-UHFFFAOYSA-N -1 3 360.332 3.298 20 30 FGEDHM N#Cc1ccc(-c2nnc(COC(=O)c3cccc(Cl)c3[O-])o2)cc1 ZINC000775935153 724086366 /nfs/dbraw/zinc/08/63/66/724086366.db2.gz ILPHGFWQSYNLTL-UHFFFAOYSA-N -1 3 355.737 3.324 20 30 FGEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000776274910 724127591 /nfs/dbraw/zinc/12/75/91/724127591.db2.gz PXKZFLUTONNHIP-UHFFFAOYSA-N -1 3 365.172 3.366 20 30 FGEDHM C=C[C@@](C)(CC)COC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000786523782 724986153 /nfs/dbraw/zinc/98/61/53/724986153.db2.gz JWJGLQMAHFWEQG-SFHVURJKSA-N -1 3 369.483 3.361 20 30 FGEDHM [O-]c1c(O)cc(CN=Nc2nccnc2C2CCC2)cc1Br ZINC000807993689 725178601 /nfs/dbraw/zinc/17/86/01/725178601.db2.gz DDZKNHLSBRQLKQ-UHFFFAOYSA-N -1 3 363.215 3.364 20 30 FGEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cccc(C#N)n1 ZINC000810532863 725313050 /nfs/dbraw/zinc/31/30/50/725313050.db2.gz HPYOCEDMPBNFJH-CYBMUJFWSA-N -1 3 359.172 3.221 20 30 FGEDHM N#CC1(NC(=O)COC(=O)c2cc3cc(Cl)sc3[n-]2)CCCCC1 ZINC000811393786 725361346 /nfs/dbraw/zinc/36/13/46/725361346.db2.gz DXSSWYFCVKCVGE-UHFFFAOYSA-N -1 3 365.842 3.382 20 30 FGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCC(C)(C)C(C)(C)C)ccc1F ZINC000814330949 726956591 /nfs/dbraw/zinc/95/65/91/726956591.db2.gz TYEDQDSWAARSLY-UHFFFAOYSA-N -1 3 370.490 3.092 20 30 FGEDHM Cc1ncc(CO)c(/C=N/C[C@H](CC(C)C)C(=O)OC(C)(C)C)c1[O-] ZINC000818991262 727335589 /nfs/dbraw/zinc/33/55/89/727335589.db2.gz BAGAWSAREJLYQI-ANKPHQHTSA-N -1 3 350.459 3.011 20 30 FGEDHM N#CC(C(=O)Nc1cc(Cl)cc(Cl)c1)=C([O-])c1cc2n(n1)CCC2 ZINC000835064262 729854746 /nfs/dbraw/zinc/85/47/46/729854746.db2.gz FRFLGBDUYLYQJG-ZDUSSCGKSA-N -1 3 363.204 3.097 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCC[C@]1(C)CC1(Cl)Cl ZINC000836915439 729974254 /nfs/dbraw/zinc/97/42/54/729974254.db2.gz NGFGXCYKXXLTMV-MRXNPFEDSA-N -1 3 370.280 3.299 20 30 FGEDHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3ccc(C#N)n3C)nc(=O)c2c1C ZINC000837997995 730081623 /nfs/dbraw/zinc/08/16/23/730081623.db2.gz 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ZINC000904170961 743935222 /nfs/dbraw/zinc/93/52/22/743935222.db2.gz OSTVKWJJKSCWKI-QGZVFWFLSA-N -1 3 360.479 3.206 20 30 FGEDHM Cc1nc(C)c(CC(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)c(=O)[nH]1 ZINC000904182867 743936282 /nfs/dbraw/zinc/93/62/82/743936282.db2.gz RRCYDPRUTJLRCD-UHFFFAOYSA-N -1 3 356.209 3.066 20 30 FGEDHM C=C(C)CN1CCC(NC(=O)N[C@](C)(CCCCCC)C(=O)[O-])CC1 ZINC000908945528 744328869 /nfs/dbraw/zinc/32/88/69/744328869.db2.gz IEMRVXUNLXNSJM-LJQANCHMSA-N -1 3 353.507 3.140 20 30 FGEDHM COc1cccc(NC(=S)NN=Cc2cc(Cl)c([O-])c(OC)c2)c1 ZINC000916298239 758066002 /nfs/dbraw/zinc/06/60/02/758066002.db2.gz BZIDOEMLNWFXBW-UHFFFAOYSA-N -1 3 365.842 3.383 20 30 FGEDHM CCCCCC[C@H](C)OC(=O)[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000920123895 758515246 /nfs/dbraw/zinc/51/52/46/758515246.db2.gz FNWIAHXUSQIINN-UONOGXRCSA-N -1 3 366.483 3.016 20 30 FGEDHM S=c1[n-]nc([C@@H]2COc3ccccc3O2)n1N=CC=Cc1ccco1 ZINC000920366550 758543715 /nfs/dbraw/zinc/54/37/15/758543715.db2.gz UWJQAPRGZIXHAJ-LWYJCNIZSA-N -1 3 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N#Cc1cc([O-])cc(C(=O)Nc2ccc3nc(-c4ccccn4)[nH]c3c2)c1 ZINC000589181097 506473949 /nfs/dbraw/zinc/47/39/49/506473949.db2.gz VRMIDFSILMDZNQ-UHFFFAOYSA-N -1 3 355.357 3.454 20 30 FGEDHM COc1ccc2oc([C@H](C)[N-]S(=O)(=O)c3cncc(C#N)c3)c(C)c2c1 ZINC000589277433 506505485 /nfs/dbraw/zinc/50/54/85/506505485.db2.gz WXFBWXIAFAKNGB-LBPRGKRZSA-N -1 3 371.418 3.056 20 30 FGEDHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@@](C)(C#N)C(C)(C)C ZINC000593278355 506508448 /nfs/dbraw/zinc/50/84/48/506508448.db2.gz LNCNBUSSMPQFQI-LBPRGKRZSA-N -1 3 365.318 3.426 20 30 FGEDHM Cc1ccc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c([O-])c1C ZINC000603836264 506628952 /nfs/dbraw/zinc/62/89/52/506628952.db2.gz MNLBIRCGUCGQQP-LJQANCHMSA-N -1 3 367.424 3.171 20 30 FGEDHM Cc1ccc2[nH]c3c(c2c1)C[C@H]([N-]S(=O)(=O)c1ccsc1C#N)CC3 ZINC000593572970 506688318 /nfs/dbraw/zinc/68/83/18/506688318.db2.gz RCHYDXZCKGGTFZ-GFCCVEGCSA-N -1 3 371.487 3.245 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1C[C@H]1c1ccccc1F ZINC000583307285 506708043 /nfs/dbraw/zinc/70/80/43/506708043.db2.gz RDSCQPVELCQUMG-MAUKXSAKSA-N -1 3 353.397 3.020 20 30 FGEDHM CCN=c1[n-]c(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cs1 ZINC000597199470 506831359 /nfs/dbraw/zinc/83/13/59/506831359.db2.gz SMHUNUJQWGPODU-NSHDSACASA-N -1 3 354.357 3.010 20 30 FGEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1C#N)c1cccc(Cl)c1 ZINC000583715478 506931530 /nfs/dbraw/zinc/93/15/30/506931530.db2.gz KIYLHPZTBGXSFQ-OAHLLOKOSA-N -1 3 368.817 3.017 20 30 FGEDHM N#CCCCC[N-]S(=O)(=O)c1cc(Cl)cc(Br)c1 ZINC000594758113 507270503 /nfs/dbraw/zinc/27/05/03/507270503.db2.gz ASSNICKVXABJKB-UHFFFAOYSA-N -1 3 351.653 3.075 20 30 FGEDHM CC1(C)[C@@H](C[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)C1(F)F ZINC000595350299 507467907 /nfs/dbraw/zinc/46/79/07/507467907.db2.gz HIPJJCLVXMURNO-LLVKDONJSA-N -1 3 368.327 3.147 20 30 FGEDHM C[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)CC(F)F ZINC000592067999 507472704 /nfs/dbraw/zinc/47/27/04/507472704.db2.gz XNBYRNCFQLHBNA-QMMMGPOBSA-N -1 3 356.316 3.147 20 30 FGEDHM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C1CCCCC1 ZINC000611016745 507483629 /nfs/dbraw/zinc/48/36/29/507483629.db2.gz GOVJMHXECIHQKC-AWEZNQCLSA-N -1 3 351.428 3.104 20 30 FGEDHM CC[C@@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)C1CCCCC1 ZINC000611016746 507483960 /nfs/dbraw/zinc/48/39/60/507483960.db2.gz GOVJMHXECIHQKC-CQSZACIVSA-N -1 3 351.428 3.104 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCOc2ccccc2[C@@H]1C ZINC000598571864 507494533 /nfs/dbraw/zinc/49/45/33/507494533.db2.gz NEOFOOBXBDTRMX-HNNXBMFYSA-N -1 3 365.433 3.191 20 30 FGEDHM Cc1cccc2c1ncc(C#N)c2N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000611165672 507543486 /nfs/dbraw/zinc/54/34/86/507543486.db2.gz HOOOAPKXPRTASM-UHFFFAOYSA-N -1 3 372.428 3.083 20 30 FGEDHM CC(C)(C)[C@@H](C#N)[N-]S(=O)(=O)c1cc(Cl)ccc1OC(F)(F)F ZINC000592382255 507629870 /nfs/dbraw/zinc/62/98/70/507629870.db2.gz KJQHTTPZRHBHRN-LLVKDONJSA-N -1 3 370.780 3.455 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000735420722 598853488 /nfs/dbraw/zinc/85/34/88/598853488.db2.gz RAIRUWWRAMCRMC-RLFYNMQTSA-N -1 3 368.485 3.389 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000735420722 598853489 /nfs/dbraw/zinc/85/34/89/598853489.db2.gz RAIRUWWRAMCRMC-RLFYNMQTSA-N -1 3 368.485 3.389 20 30 FGEDHM N#Cc1ccc(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)nc1 ZINC000737717876 598854948 /nfs/dbraw/zinc/85/49/48/598854948.db2.gz BVICCCHJJFYUTQ-UHFFFAOYSA-N -1 3 359.418 3.474 20 30 FGEDHM N#Cc1cc(NC(=O)c2cc3cc(Cl)ccc3o2)ccc1-c1nnn[n-]1 ZINC000737708478 598916982 /nfs/dbraw/zinc/91/69/82/598916982.db2.gz GIPBLKFQTNXAGW-UHFFFAOYSA-N -1 3 364.752 3.390 20 30 FGEDHM N#Cc1cc(NC(=O)c2cc3cc(Cl)ccc3o2)ccc1-c1nn[n-]n1 ZINC000737708478 598916983 /nfs/dbraw/zinc/91/69/83/598916983.db2.gz GIPBLKFQTNXAGW-UHFFFAOYSA-N -1 3 364.752 3.390 20 30 FGEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c(OC(F)F)c1 ZINC000737082701 598926518 /nfs/dbraw/zinc/92/65/18/598926518.db2.gz YHOGTJVXHJNHKS-CLFYSBASSA-N -1 3 372.331 3.373 20 30 FGEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c(OC(F)F)c1 ZINC000737082701 598926520 /nfs/dbraw/zinc/92/65/20/598926520.db2.gz YHOGTJVXHJNHKS-CLFYSBASSA-N -1 3 372.331 3.373 20 30 FGEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)ccc1-c1nnn[n-]1 ZINC000737706010 598926941 /nfs/dbraw/zinc/92/69/41/598926941.db2.gz UTLWMKSMTRAQGI-HZPDHXFCSA-N -1 3 364.796 3.134 20 30 FGEDHM N#Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)ccc1-c1nn[n-]n1 ZINC000737706010 598926943 /nfs/dbraw/zinc/92/69/43/598926943.db2.gz UTLWMKSMTRAQGI-HZPDHXFCSA-N -1 3 364.796 3.134 20 30 FGEDHM N#Cc1cc(NC(=O)CCCc2c[nH]c3ccccc23)ccc1-c1nnn[n-]1 ZINC000737705865 598928757 /nfs/dbraw/zinc/92/87/57/598928757.db2.gz RNOIGKOXVWRYQI-UHFFFAOYSA-N -1 3 371.404 3.181 20 30 FGEDHM N#Cc1cc(NC(=O)CCCc2c[nH]c3ccccc23)ccc1-c1nn[n-]n1 ZINC000737705865 598928759 /nfs/dbraw/zinc/92/87/59/598928759.db2.gz RNOIGKOXVWRYQI-UHFFFAOYSA-N -1 3 371.404 3.181 20 30 FGEDHM Cc1c(C(=O)C=Cc2nccc3ccccc32)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202466 598937003 /nfs/dbraw/zinc/93/70/03/598937003.db2.gz MTSLPYRFXAPPED-CMDGGOBGSA-N -1 3 370.416 3.367 20 30 FGEDHM Cc1c(C(=O)C=Cc2nccc3ccccc32)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202466 598937004 /nfs/dbraw/zinc/93/70/04/598937004.db2.gz MTSLPYRFXAPPED-CMDGGOBGSA-N -1 3 370.416 3.367 20 30 FGEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cnc(-c2ccccc2)s1 ZINC000819718410 607253608 /nfs/dbraw/zinc/25/36/08/607253608.db2.gz FYSZPEAGUUXHQP-UHFFFAOYSA-N -1 3 361.434 3.114 20 30 FGEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cnc(-c2ccccc2)s1 ZINC000819718410 607253609 /nfs/dbraw/zinc/25/36/09/607253609.db2.gz FYSZPEAGUUXHQP-UHFFFAOYSA-N -1 3 361.434 3.114 20 30 FGEDHM C=CCCOC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1 ZINC000735416711 598967905 /nfs/dbraw/zinc/96/79/05/598967905.db2.gz PHNQKWAWJGJKPL-UHFFFAOYSA-N -1 3 350.378 3.179 20 30 FGEDHM C=CCCOC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1 ZINC000735416711 598967906 /nfs/dbraw/zinc/96/79/06/598967906.db2.gz PHNQKWAWJGJKPL-UHFFFAOYSA-N -1 3 350.378 3.179 20 30 FGEDHM COc1ccc(C=CC(=O)c2cccc(OC(F)F)c2)cc1-c1nnn[n-]1 ZINC000737081292 599153270 /nfs/dbraw/zinc/15/32/70/599153270.db2.gz MRMDDSLVDSPNTH-FNORWQNLSA-N -1 3 372.331 3.373 20 30 FGEDHM COc1ccc(C=CC(=O)c2cccc(OC(F)F)c2)cc1-c1nn[n-]n1 ZINC000737081292 599153273 /nfs/dbraw/zinc/15/32/73/599153273.db2.gz MRMDDSLVDSPNTH-FNORWQNLSA-N -1 3 372.331 3.373 20 30 FGEDHM COc1ccc(C=C2Oc3ccc(Cl)cc3C2=O)cc1-c1nnn[n-]1 ZINC000737081111 599154910 /nfs/dbraw/zinc/15/49/10/599154910.db2.gz BNGYCSDMPJSIEM-VIZOYTHASA-N -1 3 354.753 3.145 20 30 FGEDHM COc1ccc(C=C2Oc3ccc(Cl)cc3C2=O)cc1-c1nn[n-]n1 ZINC000737081111 599154913 /nfs/dbraw/zinc/15/49/13/599154913.db2.gz BNGYCSDMPJSIEM-VIZOYTHASA-N -1 3 354.753 3.145 20 30 FGEDHM COc1ccc(C=CC(=O)c2c[nH]c3cc(F)ccc32)cc1-c1nnn[n-]1 ZINC000737081907 599156353 /nfs/dbraw/zinc/15/63/53/599156353.db2.gz RQPAUVJLQCEZDI-QHHAFSJGSA-N -1 3 363.352 3.392 20 30 FGEDHM COc1ccc(C=CC(=O)c2c[nH]c3cc(F)ccc32)cc1-c1nn[n-]n1 ZINC000737081907 599156358 /nfs/dbraw/zinc/15/63/58/599156358.db2.gz RQPAUVJLQCEZDI-QHHAFSJGSA-N -1 3 363.352 3.392 20 30 FGEDHM CC(=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000735447079 599196062 /nfs/dbraw/zinc/19/60/62/599196062.db2.gz IIRWHCYZAJRKSM-DHZHZOJOSA-N -1 3 364.796 3.434 20 30 FGEDHM CC(=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000735447079 599196064 /nfs/dbraw/zinc/19/60/64/599196064.db2.gz IIRWHCYZAJRKSM-DHZHZOJOSA-N -1 3 364.796 3.434 20 30 FGEDHM COc1ccc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)cc1 ZINC000737084136 598314192 /nfs/dbraw/zinc/31/41/92/598314192.db2.gz XIWIJAXBMYPEDM-UHFFFAOYSA-N -1 3 362.315 3.340 20 30 FGEDHM COc1ccc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)cc1 ZINC000737084136 598314194 /nfs/dbraw/zinc/31/41/94/598314194.db2.gz XIWIJAXBMYPEDM-UHFFFAOYSA-N -1 3 362.315 3.340 20 30 FGEDHM O=C(C=Cc1cnn(Cc2ccccc2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737809331 598429119 /nfs/dbraw/zinc/42/91/19/598429119.db2.gz VIIPMGWDYGZLSB-IZZDOVSWSA-N -1 3 356.389 3.008 20 30 FGEDHM O=C(C=Cc1cnn(Cc2ccccc2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737809331 598429121 /nfs/dbraw/zinc/42/91/21/598429121.db2.gz VIIPMGWDYGZLSB-IZZDOVSWSA-N -1 3 356.389 3.008 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](SCC)C(C)C ZINC000735418566 598443531 /nfs/dbraw/zinc/44/35/31/598443531.db2.gz FIGCQIUGGMLJBH-INIZCTEOSA-N -1 3 359.499 3.159 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](SCC)C(C)C ZINC000735418566 598443533 /nfs/dbraw/zinc/44/35/33/598443533.db2.gz FIGCQIUGGMLJBH-INIZCTEOSA-N -1 3 359.499 3.159 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)Cc1nc(C)c2ccccc2n1 ZINC000735426308 598485956 /nfs/dbraw/zinc/48/59/56/598485956.db2.gz PGTSBJMXRIFJSN-UHFFFAOYSA-N -1 3 371.448 3.307 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)Cc1nc(C)c2ccccc2n1 ZINC000735426308 598485958 /nfs/dbraw/zinc/48/59/58/598485958.db2.gz PGTSBJMXRIFJSN-UHFFFAOYSA-N -1 3 371.448 3.307 20 30 FGEDHM C#Cc1cccc(N(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000735389403 598608405 /nfs/dbraw/zinc/60/84/05/598608405.db2.gz BMFOASSDOAMXIA-SEYXRHQNSA-N -1 3 357.417 3.303 20 30 FGEDHM C#Cc1cccc(N(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000735389403 598608407 /nfs/dbraw/zinc/60/84/07/598608407.db2.gz BMFOASSDOAMXIA-SEYXRHQNSA-N -1 3 357.417 3.303 20 30 FGEDHM Cc1c2c(nc(SCc3ccc(F)cc3-c3nnn[n-]3)c1C#N)CCC2 ZINC000737202023 598644098 /nfs/dbraw/zinc/64/40/98/598644098.db2.gz IPEQVBDWERPHAV-UHFFFAOYSA-N -1 3 366.425 3.362 20 30 FGEDHM Cc1c2c(nc(SCc3ccc(F)cc3-c3nn[n-]n3)c1C#N)CCC2 ZINC000737202023 598644100 /nfs/dbraw/zinc/64/41/00/598644100.db2.gz IPEQVBDWERPHAV-UHFFFAOYSA-N -1 3 366.425 3.362 20 30 FGEDHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000820939110 599631921 /nfs/dbraw/zinc/63/19/21/599631921.db2.gz QSNBQKSPTMGBCJ-MJEQTWJJSA-N -1 3 368.441 3.051 20 30 FGEDHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000820939110 599631922 /nfs/dbraw/zinc/63/19/22/599631922.db2.gz QSNBQKSPTMGBCJ-MJEQTWJJSA-N -1 3 368.441 3.051 20 30 FGEDHM N#Cc1ccsc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822842725 599634057 /nfs/dbraw/zinc/63/40/57/599634057.db2.gz VPFSOESGLVNETB-UHFFFAOYSA-N -1 3 364.312 3.071 20 30 FGEDHM N#Cc1ccsc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822842725 599634058 /nfs/dbraw/zinc/63/40/58/599634058.db2.gz VPFSOESGLVNETB-UHFFFAOYSA-N -1 3 364.312 3.071 20 30 FGEDHM N#CCC[C@@H](NC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000826381410 607395103 /nfs/dbraw/zinc/39/51/03/607395103.db2.gz KONGPTZNUIUDCP-MRXNPFEDSA-N -1 3 365.372 3.172 20 30 FGEDHM N#CCC[C@@H](NC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000826381410 607395104 /nfs/dbraw/zinc/39/51/04/607395104.db2.gz KONGPTZNUIUDCP-MRXNPFEDSA-N -1 3 365.372 3.172 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cscc1C ZINC000823914185 607395636 /nfs/dbraw/zinc/39/56/36/607395636.db2.gz CVBKGHQQXXZXOI-UHFFFAOYSA-N -1 3 354.439 3.457 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cscc1C ZINC000823914185 607395638 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O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826400215 609442651 /nfs/dbraw/zinc/44/26/51/609442651.db2.gz SHOXUISKQNUFRV-GORDUTHDSA-N -1 3 361.770 3.386 20 30 FGEDHM N#Cc1ccc(Oc2cccc(NC(=O)c3c[nH]c(-c4nnn[n-]4)c3)c2)cc1 ZINC000826386282 609457298 /nfs/dbraw/zinc/45/72/98/609457298.db2.gz XEVHFKFXYPADGT-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#Cc1ccc(Oc2cccc(NC(=O)c3c[nH]c(-c4nn[n-]n4)c3)c2)cc1 ZINC000826386282 609457300 /nfs/dbraw/zinc/45/73/00/609457300.db2.gz XEVHFKFXYPADGT-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000823909365 609540015 /nfs/dbraw/zinc/54/00/15/609540015.db2.gz AIUCYXPJCVVFSK-HWWDLCQESA-N -1 3 353.470 3.454 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000823909365 609540016 /nfs/dbraw/zinc/54/00/16/609540016.db2.gz AIUCYXPJCVVFSK-HWWDLCQESA-N -1 3 353.470 3.454 20 30 FGEDHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)NC1(C#N)CCCCC1 ZINC000011809838 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Cc1cc(C([O-])=C(C#N)C(=O)Nc2ccc(SC(F)F)cc2)nn1C ZINC000917520837 758232139 /nfs/dbraw/zinc/23/21/39/758232139.db2.gz VCFCKLVCRSWRPU-LBPRGKRZSA-N -1 3 364.377 3.004 20 30 FGEDHM Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cccc(C#N)c3)cc2)n1 ZINC000029403671 493837847 /nfs/dbraw/zinc/83/78/47/493837847.db2.gz GNRGIBBKCMXXOJ-UHFFFAOYSA-N -1 3 352.419 3.162 20 30 FGEDHM COc1ccc(C(=O)CCC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1F ZINC000081709813 493944046 /nfs/dbraw/zinc/94/40/46/493944046.db2.gz QGVUWUUSCXBRJD-UHFFFAOYSA-N -1 3 360.267 3.222 20 30 FGEDHM COc1ccc(C(=O)CCC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1F ZINC000081709813 493944050 /nfs/dbraw/zinc/94/40/50/493944050.db2.gz QGVUWUUSCXBRJD-UHFFFAOYSA-N -1 3 360.267 3.222 20 30 FGEDHM CCc1cccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1[O-] ZINC000081932665 493967541 /nfs/dbraw/zinc/96/75/41/493967541.db2.gz SATZWHTWDOZYPL-UHFFFAOYSA-N -1 3 363.461 3.174 20 30 FGEDHM N#C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000061889689 493998311 /nfs/dbraw/zinc/99/83/11/493998311.db2.gz PAERMSTXWZFLBI-GZMMTYOYSA-N -1 3 363.664 3.073 20 30 FGEDHM Cc1ccc(SCCNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000009889058 494135132 /nfs/dbraw/zinc/13/51/32/494135132.db2.gz WDIPSNPVVCBESW-UHFFFAOYSA-N -1 3 369.490 3.013 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H](c2ccncc2)C1 ZINC000577306613 505703098 /nfs/dbraw/zinc/70/30/98/505703098.db2.gz CJVZXIVGPVUFFU-QGZVFWFLSA-N -1 3 364.449 3.010 20 30 FGEDHM Cc1cc(C)n2nc(C(=O)[N-]c3sc4c(c3C#N)CCCCC4)nc2n1 ZINC000072495566 494186632 /nfs/dbraw/zinc/18/66/32/494186632.db2.gz FTYFQDFRTWZUQF-UHFFFAOYSA-N -1 3 366.450 3.196 20 30 FGEDHM CSc1[n-]c(=O)c(C(=O)Nc2ccc(C)cc2CN(C)C)cc1C#N ZINC000073129348 494325456 /nfs/dbraw/zinc/32/54/56/494325456.db2.gz YSULWIZHWXEJDN-UHFFFAOYSA-N -1 3 356.451 3.003 20 30 FGEDHM O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000043997230 494333907 /nfs/dbraw/zinc/33/39/07/494333907.db2.gz MOUBQJJWQZIYPN-SECBINFHSA-N -1 3 353.304 3.003 20 30 FGEDHM O=C(CC[C@@H]1Cc2ccccc2NC1=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000043997230 494333909 /nfs/dbraw/zinc/33/39/09/494333909.db2.gz MOUBQJJWQZIYPN-SECBINFHSA-N -1 3 353.304 3.003 20 30 FGEDHM N#Cc1ccc(N2CCC(C(=O)Nc3ccccc3[O-])CC2)c([N+](=O)[O-])c1 ZINC000015141488 494341692 /nfs/dbraw/zinc/34/16/92/494341692.db2.gz YTZCVQYNDKXMBT-UHFFFAOYSA-N -1 3 366.377 3.027 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(Cc1cccc(F)c1)C1CC1 ZINC000045198775 494406164 /nfs/dbraw/zinc/40/61/64/494406164.db2.gz LHSPHUJOAUIDIL-UHFFFAOYSA-N -1 3 367.424 3.126 20 30 FGEDHM COc1ccccc1-c1nc(NC(=O)[C@@H](C)OC[C@H]2CCCCO2)n[n-]1 ZINC000066915605 494437814 /nfs/dbraw/zinc/43/78/14/494437814.db2.gz KMZCYZCKMQXTIY-CHWSQXEVSA-N -1 3 360.414 3.043 20 30 FGEDHM Cc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)(C)C#N)cc2)cc1 ZINC000056056149 494447592 /nfs/dbraw/zinc/44/75/92/494447592.db2.gz AHGFMIROIBNTFI-UHFFFAOYSA-N -1 3 357.435 3.284 20 30 FGEDHM Cc1c(C([O-])=C(C#N)c2ccccn2)nnn1-c1cccc2ncccc21 ZINC000067001583 494453203 /nfs/dbraw/zinc/45/32/03/494453203.db2.gz WTSBVKXECVCXLA-HNNXBMFYSA-N -1 3 354.373 3.009 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N([C@@H](C)c1ccco1)C1CC1 ZINC000056182756 494467480 /nfs/dbraw/zinc/46/74/80/494467480.db2.gz GWNPGWSUQBMUFQ-AWEZNQCLSA-N -1 3 353.422 3.141 20 30 FGEDHM N#Cc1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1Br ZINC000020430684 494473668 /nfs/dbraw/zinc/47/36/68/494473668.db2.gz PHLWKQOSVJKTOQ-UHFFFAOYSA-N -1 3 355.188 3.261 20 30 FGEDHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)c2)n1 ZINC000047317647 494679126 /nfs/dbraw/zinc/67/91/26/494679126.db2.gz JGMVEMKAYKVZRX-AWEZNQCLSA-N -1 3 374.400 3.023 20 30 FGEDHM CCOC(=O)c1csc(C(C#N)=C([O-])c2cc3ccccc3n2C)n1 ZINC000067897326 494685110 /nfs/dbraw/zinc/68/51/10/494685110.db2.gz QYWUNHLJXJDODY-LBPRGKRZSA-N -1 3 353.403 3.302 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]c2ccncc2Br)c(Cl)c1 ZINC000126610109 494802303 /nfs/dbraw/zinc/80/23/03/494802303.db2.gz VXZFVVFAGOMWMH-UHFFFAOYSA-N -1 3 372.631 3.170 20 30 FGEDHM Cc1ccc([C@@H](C)CNC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000127535005 494958448 /nfs/dbraw/zinc/95/84/48/494958448.db2.gz ARRVKERRGVZRRX-AWEZNQCLSA-N -1 3 351.450 3.024 20 30 FGEDHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1 ZINC000122964923 495060519 /nfs/dbraw/zinc/06/05/19/495060519.db2.gz FXMCQVYNWIOUCN-RBUKOAKNSA-N -1 3 363.417 3.263 20 30 FGEDHM Cc1nc(-c2ccc(C([O-])=C(C#N)c3nc4ccccc4n3C)cc2)n[nH]1 ZINC000134116211 495108338 /nfs/dbraw/zinc/10/83/38/495108338.db2.gz MYKMNSBJEJCIQD-OAHLLOKOSA-N -1 3 356.389 3.157 20 30 FGEDHM Cc1cccc([C@@H](C)NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c1C ZINC000115286517 495485013 /nfs/dbraw/zinc/48/50/13/495485013.db2.gz NPFYLMUYZBZJBV-OAHLLOKOSA-N -1 3 351.450 3.290 20 30 FGEDHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3c(F)cc(C#N)cc3F)c2)n1 ZINC000121068413 495517041 /nfs/dbraw/zinc/51/70/41/495517041.db2.gz GYZTZYJRYLWSMX-UHFFFAOYSA-N -1 3 366.327 3.148 20 30 FGEDHM Cc1csc([C@H]([N-]S(=O)(=O)c2ccc(Cl)c(C#N)c2)C2CC2)n1 ZINC000173468140 495544791 /nfs/dbraw/zinc/54/47/91/495544791.db2.gz GWAJBFCHCLSBTK-CQSZACIVSA-N -1 3 367.883 3.406 20 30 FGEDHM CC(F)(F)C[N-]C(=O)[C@](N)(c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000580620035 505799385 /nfs/dbraw/zinc/79/93/85/505799385.db2.gz SMUJVFOIDHOHHK-LLVKDONJSA-N -1 3 364.236 3.193 20 30 FGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C#N)cc1Cl)[C@H]1COc2ccccc21 ZINC000180209000 495907253 /nfs/dbraw/zinc/90/72/53/495907253.db2.gz PLTYCGXYMVPGJZ-SMDDNHRTSA-N -1 3 362.838 3.055 20 30 FGEDHM CSc1cccc(C(=O)[N-]c2nn(C(C)(C)C)cc2C#N)c1[N+](=O)[O-] ZINC000186652474 496091263 /nfs/dbraw/zinc/09/12/63/496091263.db2.gz BGUJBVXVTJFPER-UHFFFAOYSA-N -1 3 359.411 3.392 20 30 FGEDHM COc1ccc(C(=O)[N-]c2sc3c(c2C#N)-c2ccccc2CC3)nn1 ZINC000152368188 496129338 /nfs/dbraw/zinc/12/93/38/496129338.db2.gz HVJZZSCYQUVKCN-UHFFFAOYSA-N -1 3 362.414 3.436 20 30 FGEDHM C=C(C)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000161250144 496136853 /nfs/dbraw/zinc/13/68/53/496136853.db2.gz PXABIEHBXHAEQN-UHFFFAOYSA-N -1 3 364.854 3.447 20 30 FGEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C#N)cc3C)c2)n1 ZINC000161901684 496259768 /nfs/dbraw/zinc/25/97/68/496259768.db2.gz CLYLPDBHFSGLPK-UHFFFAOYSA-N -1 3 358.401 3.432 20 30 FGEDHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1C#N)c1cccc([N+](=O)[O-])c1 ZINC000156610097 496293265 /nfs/dbraw/zinc/29/32/65/496293265.db2.gz YKIZRAJGIYGDBG-SNVBAGLBSA-N -1 3 365.798 3.159 20 30 FGEDHM Cc1cc(C(=O)[N-]c2nnc(SCc3ccc(C#N)cc3)s2)ncn1 ZINC000156804814 496336713 /nfs/dbraw/zinc/33/67/13/496336713.db2.gz RGWDVOYQXKEOKN-UHFFFAOYSA-N -1 3 368.447 3.053 20 30 FGEDHM CCc1c(C)sc([N-]C(=O)c2csc(S(C)(=O)=O)c2)c1C#N ZINC000162715956 496401393 /nfs/dbraw/zinc/40/13/93/496401393.db2.gz PKFSIPDTBLYKIV-UHFFFAOYSA-N -1 3 354.478 3.208 20 30 FGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1CCOc2ccccc21 ZINC000157396018 496469492 /nfs/dbraw/zinc/46/94/92/496469492.db2.gz SRKLEETWXOAPEN-LBPRGKRZSA-N -1 3 362.838 3.056 20 30 FGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1CCOc2ccc(F)cc21 ZINC000178540187 496491958 /nfs/dbraw/zinc/49/19/58/496491958.db2.gz XKLWNYBVDXPFPE-CQSZACIVSA-N -1 3 366.801 3.153 20 30 FGEDHM Cc1csc(C(C)(C)[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)n1 ZINC000184742882 496515084 /nfs/dbraw/zinc/51/50/84/496515084.db2.gz RAXDSLRWJSZSOS-UHFFFAOYSA-N -1 3 355.872 3.190 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC(CC(F)(F)F)CC1 ZINC000580848816 505853246 /nfs/dbraw/zinc/85/32/46/505853246.db2.gz RGUKFMWGKWNDTL-UHFFFAOYSA-N -1 3 369.387 3.399 20 30 FGEDHM CCCCN(C)S(=O)(=O)[N-]c1ccccc1Oc1ncccc1C#N ZINC000158046414 496615069 /nfs/dbraw/zinc/61/50/69/496615069.db2.gz HLVTXZIRHXLQNT-UHFFFAOYSA-N -1 3 360.439 3.134 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2cccc(Cl)c2)c(F)c1 ZINC000580871289 505857327 /nfs/dbraw/zinc/85/73/27/505857327.db2.gz LIUUYGCAZDAJCT-DZGCQCFKSA-N -1 3 350.802 3.185 20 30 FGEDHM Cc1cc(F)c(S(=O)(=O)[N-][C@@]2(C#N)CCc3ccccc3C2)cc1F ZINC000185150605 496681906 /nfs/dbraw/zinc/68/19/06/496681906.db2.gz MWYLKLDCBPDUTP-SFHVURJKSA-N -1 3 362.401 3.003 20 30 FGEDHM CS(=O)(=O)c1cc([N-]C(=O)c2c(F)cc(C#N)cc2F)ccc1Cl ZINC000191424452 496758247 /nfs/dbraw/zinc/75/82/47/496758247.db2.gz PTXHYPQKMNSCMN-UHFFFAOYSA-N -1 3 370.764 3.146 20 30 FGEDHM Cc1ccnc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)c1C#N ZINC000273315032 496772010 /nfs/dbraw/zinc/77/20/10/496772010.db2.gz JEPHCSYHVQHUNU-UHFFFAOYSA-N -1 3 370.840 3.476 20 30 FGEDHM Cc1cc(NC(=O)c2ccc(C#N)c([O-])c2)ccc1OCCN1CCCC1 ZINC000188448395 496793715 /nfs/dbraw/zinc/79/37/15/496793715.db2.gz RZFSNYYTBAXCPB-UHFFFAOYSA-N -1 3 365.433 3.299 20 30 FGEDHM C[C@H](CON=C([O-])Nc1ccc(C#N)c(Cl)c1)NC(=O)OC(C)(C)C ZINC000273417965 496800455 /nfs/dbraw/zinc/80/04/55/496800455.db2.gz MAMNCKHNFJRFGJ-SNVBAGLBSA-N -1 3 368.821 3.178 20 30 FGEDHM C[C@H](CO[N-]C(=O)Nc1ccc(C#N)c(Cl)c1)NC(=O)OC(C)(C)C ZINC000273417965 496800458 /nfs/dbraw/zinc/80/04/58/496800458.db2.gz MAMNCKHNFJRFGJ-SNVBAGLBSA-N -1 3 368.821 3.178 20 30 FGEDHM CCS[C@H]1CCCCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000264791501 496985924 /nfs/dbraw/zinc/98/59/24/496985924.db2.gz ATXTZJJOLDCFBJ-HNNXBMFYSA-N -1 3 361.511 3.343 20 30 FGEDHM C=CCSCC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000223897931 497045508 /nfs/dbraw/zinc/04/55/08/497045508.db2.gz NLKFRNDUIITCBI-UHFFFAOYSA-N -1 3 370.721 3.300 20 30 FGEDHM Cc1ccc(/N=C/c2c([O-])c(C)ncc2CO)cc1C(=O)N1CCCCC1 ZINC000278335045 497079171 /nfs/dbraw/zinc/07/91/71/497079171.db2.gz VLRNKDSNUQTJBG-FSJBWODESA-N -1 3 367.449 3.273 20 30 FGEDHM CC[C@@H](C#N)[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000192834584 497225078 /nfs/dbraw/zinc/22/50/78/497225078.db2.gz SDYOYJKAWAWIRD-QMMMGPOBSA-N -1 3 371.178 3.048 20 30 FGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCCc2c(O)cccc21 ZINC000190346331 497445453 /nfs/dbraw/zinc/44/54/53/497445453.db2.gz CSBZJOMSRQUWBI-HNNXBMFYSA-N -1 3 362.838 3.273 20 30 FGEDHM N#Cc1ccccc1Oc1ccc(NC(=O)[N-]OC[C@H]2CCOC2)cc1 ZINC000276404964 497565223 /nfs/dbraw/zinc/56/52/23/497565223.db2.gz PABLCUKTWVXWML-AWEZNQCLSA-N -1 3 353.378 3.440 20 30 FGEDHM COc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1OCCCC#N ZINC000262720004 497607614 /nfs/dbraw/zinc/60/76/14/497607614.db2.gz UXHUPEGUBMZAJR-UHFFFAOYSA-N -1 3 354.406 3.366 20 30 FGEDHM Cc1cc(-n2cncn2)ccc1C([O-])=C(C#N)c1cnc2ccccc2n1 ZINC000190900881 497639021 /nfs/dbraw/zinc/63/90/21/497639021.db2.gz OAAQYWZSIGOBSZ-MRXNPFEDSA-N -1 3 354.373 3.009 20 30 FGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc2c(cc1Cl)CCC2=O ZINC000191229222 497749052 /nfs/dbraw/zinc/74/90/52/497749052.db2.gz WNFNAQQPNCVRKU-UHFFFAOYSA-N -1 3 360.822 3.450 20 30 FGEDHM CC(C)(CO)ON=C([O-])Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000296785799 498196356 /nfs/dbraw/zinc/19/63/56/498196356.db2.gz XRIUAMKNBBYEDU-UHFFFAOYSA-N -1 3 369.421 3.156 20 30 FGEDHM CC(C)(CO)O[N-]C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000296785799 498196360 /nfs/dbraw/zinc/19/63/60/498196360.db2.gz XRIUAMKNBBYEDU-UHFFFAOYSA-N -1 3 369.421 3.156 20 30 FGEDHM CO[C@H](c1ccc(F)cc1)[C@@H](C)[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000331060344 498244505 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C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1c[n-]c2c(C)cccc2c1=O ZINC000554635760 505229286 /nfs/dbraw/zinc/22/92/86/505229286.db2.gz GXTNMAYHQXGCBM-UHFFFAOYSA-N -1 3 366.417 3.140 20 30 FGEDHM N#CC(=C([O-])c1ccc2c(c1)CCCCC2=O)c1nnc2n1CCCCC2 ZINC000564510594 505437733 /nfs/dbraw/zinc/43/77/33/505437733.db2.gz MQYGDLZTGWGJQM-QGZVFWFLSA-N -1 3 362.433 3.404 20 30 FGEDHM CCOc1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C#N)cc2)cc1CO ZINC000593197361 506458670 /nfs/dbraw/zinc/45/86/70/506458670.db2.gz XPUYMJHVFAPXED-UHFFFAOYSA-N -1 3 374.462 3.180 20 30 FGEDHM C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)cc1[O-] ZINC000603626700 506581366 /nfs/dbraw/zinc/58/13/66/506581366.db2.gz UNRREFRMYNVKBM-SNVBAGLBSA-N -1 3 361.195 3.432 20 30 FGEDHM CC1(C)C[C@H]([N-]S(=O)(=O)c2ccc(C#N)s2)c2cc(F)ccc2O1 ZINC000593635010 506709762 /nfs/dbraw/zinc/70/97/62/506709762.db2.gz AOOSELDPDPKNKN-ZDUSSCGKSA-N -1 3 366.439 3.340 20 30 FGEDHM CC(C)(C#N)c1ccc(CNC[C@@H](Oc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000593948357 506843667 /nfs/dbraw/zinc/84/36/67/506843667.db2.gz WJQHXEJZWMHZPR-GOSISDBHSA-N -1 3 356.397 3.249 20 30 FGEDHM N#Cc1cc(C(=O)Nc2nnc(-c3ccc4ccccc4n3)[n-]2)ccc1F ZINC000590556414 506858547 /nfs/dbraw/zinc/85/85/47/506858547.db2.gz JXSMDPVAABNVLP-UHFFFAOYSA-N -1 3 358.336 3.283 20 30 FGEDHM N#Cc1cc(C(=O)Nc2nc(-c3ccc4ccccc4n3)n[n-]2)ccc1F ZINC000590556414 506858555 /nfs/dbraw/zinc/85/85/55/506858555.db2.gz JXSMDPVAABNVLP-UHFFFAOYSA-N -1 3 358.336 3.283 20 30 FGEDHM N#Cc1cc(C(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)ccc1F ZINC000590556414 506858560 /nfs/dbraw/zinc/85/85/60/506858560.db2.gz JXSMDPVAABNVLP-UHFFFAOYSA-N -1 3 358.336 3.283 20 30 FGEDHM N#Cc1ccc(NCC(=O)N=c2cc(-c3cccc(Cl)c3)[n-][nH]2)cc1 ZINC000604522079 506860916 /nfs/dbraw/zinc/86/09/16/506860916.db2.gz UUVUIMPCOXNMHR-UHFFFAOYSA-N -1 3 351.797 3.074 20 30 FGEDHM N#CCn1c(C(=O)Nc2n[n-]c(-c3ccccc3F)n2)cc2ccccc21 ZINC000609477103 506892996 /nfs/dbraw/zinc/89/29/96/506892996.db2.gz ORHFTLSWYBLQMZ-UHFFFAOYSA-N -1 3 360.352 3.341 20 30 FGEDHM CCCC(C#N)(CCC)[N-]S(=O)(=O)C[C@@H](OC)c1ccc(F)cc1 ZINC000600667353 507055045 /nfs/dbraw/zinc/05/50/45/507055045.db2.gz AIPHKRBERUNPBM-MRXNPFEDSA-N -1 3 356.463 3.295 20 30 FGEDHM C=CCOc1ccccc1C[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000600777980 507116348 /nfs/dbraw/zinc/11/63/48/507116348.db2.gz DHZCRRYSGDORSR-UHFFFAOYSA-N -1 3 357.353 3.147 20 30 FGEDHM Cc1csc(C2([N-]S(=O)(=O)c3ccc(Cl)c(C#N)c3)CCC2)n1 ZINC000610431347 507236346 /nfs/dbraw/zinc/23/63/46/507236346.db2.gz VBJQGVPMXCFVAG-UHFFFAOYSA-N -1 3 367.883 3.334 20 30 FGEDHM CC[C@H]1C[C@@H]([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CCO1 ZINC000594784830 507280424 /nfs/dbraw/zinc/28/04/24/507280424.db2.gz DOOITVIXZVDZLD-KBPBESRZSA-N -1 3 364.492 3.317 20 30 FGEDHM COc1ccccc1-c1cc(=NC(=O)c2ccc(C#N)c(Cl)c2)[nH][n-]1 ZINC000614678187 507616137 /nfs/dbraw/zinc/61/61/37/507616137.db2.gz REIWGKWJIIIIRO-UHFFFAOYSA-N -1 3 352.781 3.285 20 30 FGEDHM N#Cc1cc(-c2nnn[n-]2)c(SCc2ccc3ccccc3c2)nc1N ZINC000737703049 598825420 /nfs/dbraw/zinc/82/54/20/598825420.db2.gz AENPZPQZMCBTEW-UHFFFAOYSA-N -1 3 359.418 3.161 20 30 FGEDHM N#Cc1cc(-c2nn[n-]n2)c(SCc2ccc3ccccc3c2)nc1N ZINC000737703049 598825421 /nfs/dbraw/zinc/82/54/21/598825421.db2.gz AENPZPQZMCBTEW-UHFFFAOYSA-N -1 3 359.418 3.161 20 30 FGEDHM N#Cc1cc(NC(=O)CCCc2ccc(Cl)cc2)ccc1-c1nnn[n-]1 ZINC000737705202 598915552 /nfs/dbraw/zinc/91/55/52/598915552.db2.gz OBYAJFVYFBNDHJ-UHFFFAOYSA-N -1 3 366.812 3.353 20 30 FGEDHM N#Cc1cc(NC(=O)CCCc2ccc(Cl)cc2)ccc1-c1nn[n-]n1 ZINC000737705202 598915554 /nfs/dbraw/zinc/91/55/54/598915554.db2.gz OBYAJFVYFBNDHJ-UHFFFAOYSA-N -1 3 366.812 3.353 20 30 FGEDHM N#Cc1cc(NC(=O)Cc2ccc(Cl)c(Cl)c2)ccc1-c1nnn[n-]1 ZINC000737707950 598915799 /nfs/dbraw/zinc/91/57/99/598915799.db2.gz CFSRCLFWNQYNCU-UHFFFAOYSA-N -1 3 373.203 3.226 20 30 FGEDHM N#Cc1cc(NC(=O)Cc2ccc(Cl)c(Cl)c2)ccc1-c1nn[n-]n1 ZINC000737707950 598915800 /nfs/dbraw/zinc/91/58/00/598915800.db2.gz CFSRCLFWNQYNCU-UHFFFAOYSA-N -1 3 373.203 3.226 20 30 FGEDHM N#Cc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1-c1nnn[n-]1 ZINC000737707970 598917043 /nfs/dbraw/zinc/91/70/43/598917043.db2.gz CHEJMRXQXATZKG-UHFFFAOYSA-N -1 3 359.176 3.297 20 30 FGEDHM N#Cc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1-c1nn[n-]n1 ZINC000737707970 598917045 /nfs/dbraw/zinc/91/70/45/598917045.db2.gz CHEJMRXQXATZKG-UHFFFAOYSA-N -1 3 359.176 3.297 20 30 FGEDHM N#Cc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000737716524 598917344 /nfs/dbraw/zinc/91/73/44/598917344.db2.gz RJANQKBYWBXWCS-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000737716524 598917345 /nfs/dbraw/zinc/91/73/45/598917345.db2.gz RJANQKBYWBXWCS-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM CC(C)Sc1ccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1 ZINC000735920970 598927305 /nfs/dbraw/zinc/92/73/05/598927305.db2.gz CXUOHGGZWIPLCT-UHFFFAOYSA-N -1 3 364.434 3.491 20 30 FGEDHM CC(C)Sc1ccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1 ZINC000735920970 598927306 /nfs/dbraw/zinc/92/73/06/598927306.db2.gz CXUOHGGZWIPLCT-UHFFFAOYSA-N -1 3 364.434 3.491 20 30 FGEDHM Cc1cc(C)cc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)CC2)c1 ZINC000737254020 598928243 /nfs/dbraw/zinc/92/82/43/598928243.db2.gz VWJPSWJGBXGVQX-UHFFFAOYSA-N -1 3 358.405 3.026 20 30 FGEDHM Cc1cc(C)cc(C2(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)CC2)c1 ZINC000737254020 598928244 /nfs/dbraw/zinc/92/82/44/598928244.db2.gz VWJPSWJGBXGVQX-UHFFFAOYSA-N -1 3 358.405 3.026 20 30 FGEDHM Cc1cccc(C2(C(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)CCCC2)c1 ZINC000737390194 598929804 /nfs/dbraw/zinc/92/98/04/598929804.db2.gz SJBOEQCOWYIVMF-UHFFFAOYSA-N -1 3 372.432 3.497 20 30 FGEDHM Cc1cccc(C2(C(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)CCCC2)c1 ZINC000737390194 598929806 /nfs/dbraw/zinc/92/98/06/598929806.db2.gz SJBOEQCOWYIVMF-UHFFFAOYSA-N -1 3 372.432 3.497 20 30 FGEDHM CC(C)CN(Cc1ccc(C#N)cc1)c1ncc(-c2nnn[n-]2)cc1Cl ZINC000735831083 598939253 /nfs/dbraw/zinc/93/92/53/598939253.db2.gz NIZGDICFVWOMLK-UHFFFAOYSA-N -1 3 367.844 3.449 20 30 FGEDHM CC(C)CN(Cc1ccc(C#N)cc1)c1ncc(-c2nn[n-]n2)cc1Cl ZINC000735831083 598939255 /nfs/dbraw/zinc/93/92/55/598939255.db2.gz NIZGDICFVWOMLK-UHFFFAOYSA-N -1 3 367.844 3.449 20 30 FGEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1ccc(Br)cc1 ZINC000819773955 607253683 /nfs/dbraw/zinc/25/36/83/607253683.db2.gz YDKWXLLVRMEVNU-UHFFFAOYSA-N -1 3 371.242 3.143 20 30 FGEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1ccc(Br)cc1 ZINC000819773955 607253684 /nfs/dbraw/zinc/25/36/84/607253684.db2.gz YDKWXLLVRMEVNU-UHFFFAOYSA-N -1 3 371.242 3.143 20 30 FGEDHM CC(CCc1ccccc1[N+](=O)[O-])N=Nc1ccc(-c2nnn[n-]2)cc1 ZINC000735993412 599067017 /nfs/dbraw/zinc/06/70/17/599067017.db2.gz RGPRHOVPBTYNCQ-UHFFFAOYSA-N -1 3 351.370 3.196 20 30 FGEDHM CC(CCc1ccccc1[N+](=O)[O-])N=Nc1ccc(-c2nn[n-]n2)cc1 ZINC000735993412 599067020 /nfs/dbraw/zinc/06/70/20/599067020.db2.gz RGPRHOVPBTYNCQ-UHFFFAOYSA-N -1 3 351.370 3.196 20 30 FGEDHM COc1ccc(C=C2Cc3cc(Cl)ccc3C2=O)cc1-c1nnn[n-]1 ZINC000821787299 599110725 /nfs/dbraw/zinc/11/07/25/599110725.db2.gz RCUAUYOIICWUOG-SDQBBNPISA-N -1 3 352.781 3.351 20 30 FGEDHM COc1ccc(C=C2Cc3cc(Cl)ccc3C2=O)cc1-c1nn[n-]n1 ZINC000821787299 599110727 /nfs/dbraw/zinc/11/07/27/599110727.db2.gz RCUAUYOIICWUOG-SDQBBNPISA-N -1 3 352.781 3.351 20 30 FGEDHM COc1ccc(OC)c(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000821842637 599113630 /nfs/dbraw/zinc/11/36/30/599113630.db2.gz UUHGWWHZBRZUQN-RAXLEYEMSA-N -1 3 362.389 3.096 20 30 FGEDHM COc1ccc(OC)c(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000821842637 599113633 /nfs/dbraw/zinc/11/36/33/599113633.db2.gz UUHGWWHZBRZUQN-RAXLEYEMSA-N -1 3 362.389 3.096 20 30 FGEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1F ZINC000821786835 599113658 /nfs/dbraw/zinc/11/36/58/599113658.db2.gz KIFVHHCCECZMQI-MDWZMJQESA-N -1 3 350.353 3.227 20 30 FGEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1F ZINC000821786835 599113662 /nfs/dbraw/zinc/11/36/62/599113662.db2.gz KIFVHHCCECZMQI-MDWZMJQESA-N -1 3 350.353 3.227 20 30 FGEDHM COc1ccc(C=NNc2ccc(Br)cc2)cc1-c1nnn[n-]1 ZINC000737084130 599129186 /nfs/dbraw/zinc/12/91/86/599129186.db2.gz XAWDRDUUWLYITB-UHFFFAOYSA-N -1 3 373.214 3.084 20 30 FGEDHM COc1ccc(C=NNc2ccc(Br)cc2)cc1-c1nn[n-]n1 ZINC000737084130 599129189 /nfs/dbraw/zinc/12/91/89/599129189.db2.gz XAWDRDUUWLYITB-UHFFFAOYSA-N -1 3 373.214 3.084 20 30 FGEDHM COc1ccc(C=C2C(=O)c3c(c(F)ccc3O)[C@H]2C)cc1-c1nnn[n-]1 ZINC000737082651 599153826 /nfs/dbraw/zinc/15/38/26/599153826.db2.gz KMUZKUKHYXJJTQ-MKVDPYIPSA-N -1 3 366.352 3.103 20 30 FGEDHM Cc1cccc2c(CCC(=O)Nc3ccc(-c4nnn[n-]4)c(C#N)c3)c[nH]c21 ZINC000737407560 599193919 /nfs/dbraw/zinc/19/39/19/599193919.db2.gz CRHGVDSQUUAFSM-UHFFFAOYSA-N -1 3 371.404 3.099 20 30 FGEDHM Cc1cccc2c(CCC(=O)Nc3ccc(-c4nn[n-]n4)c(C#N)c3)c[nH]c21 ZINC000737407560 599193920 /nfs/dbraw/zinc/19/39/20/599193920.db2.gz CRHGVDSQUUAFSM-UHFFFAOYSA-N -1 3 371.404 3.099 20 30 FGEDHM N#Cc1cc(NC(=O)c2cc3sccc3s2)ccc1-c1nnn[n-]1 ZINC000737709670 599194215 /nfs/dbraw/zinc/19/42/15/599194215.db2.gz PPIGVVNMILXASX-UHFFFAOYSA-N -1 3 352.404 3.267 20 30 FGEDHM N#Cc1cc(NC(=O)c2cc3sccc3s2)ccc1-c1nn[n-]n1 ZINC000737709670 599194217 /nfs/dbraw/zinc/19/42/17/599194217.db2.gz PPIGVVNMILXASX-UHFFFAOYSA-N -1 3 352.404 3.267 20 30 FGEDHM CC[C@@H](Sc1ccccc1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736391817 599198619 /nfs/dbraw/zinc/19/86/19/599198619.db2.gz PDAVVPJVCYXVSK-MRXNPFEDSA-N -1 3 364.434 3.248 20 30 FGEDHM CC[C@@H](Sc1ccccc1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736391817 599198621 /nfs/dbraw/zinc/19/86/21/599198621.db2.gz PDAVVPJVCYXVSK-MRXNPFEDSA-N -1 3 364.434 3.248 20 30 FGEDHM Fc1cc(-c2nn[n-]n2)ccc1N1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000737640187 599234413 /nfs/dbraw/zinc/23/44/13/599234413.db2.gz LWXZTWVPRHSKRH-UHFFFAOYSA-N -1 3 369.244 3.327 20 30 FGEDHM C=CCOc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000819759048 599263661 /nfs/dbraw/zinc/26/36/61/599263661.db2.gz MMSNTIWSRGGASD-ZDUSSCGKSA-N -1 3 364.409 3.314 20 30 FGEDHM C=CCOc1cccc(NC(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000819759048 599263662 /nfs/dbraw/zinc/26/36/62/599263662.db2.gz MMSNTIWSRGGASD-ZDUSSCGKSA-N -1 3 364.409 3.314 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc2c1ccn2C ZINC000735418136 598383515 /nfs/dbraw/zinc/38/35/15/598383515.db2.gz BPVAITFARGRNIS-UHFFFAOYSA-N -1 3 372.432 3.187 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc2c1ccn2C ZINC000735418136 598383517 /nfs/dbraw/zinc/38/35/17/598383517.db2.gz BPVAITFARGRNIS-UHFFFAOYSA-N -1 3 372.432 3.187 20 30 FGEDHM CCc1cccc(C)c1NC(=S)NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000736697523 598428505 /nfs/dbraw/zinc/42/85/05/598428505.db2.gz HNCNCKHHUGZINC-UHFFFAOYSA-N -1 3 365.466 3.058 20 30 FGEDHM CCc1cccc(C)c1NC(=S)NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736697523 598428506 /nfs/dbraw/zinc/42/85/06/598428506.db2.gz HNCNCKHHUGZINC-UHFFFAOYSA-N -1 3 365.466 3.058 20 30 FGEDHM C#CCOc1cccc([C@H](C)OC(=O)C=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000735381621 598434102 /nfs/dbraw/zinc/43/41/02/598434102.db2.gz WWEGUDAFKDRRRD-SSCKCOOKSA-N -1 3 374.400 3.196 20 30 FGEDHM C#CCOc1cccc([C@H](C)OC(=O)C=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000735381621 598434104 /nfs/dbraw/zinc/43/41/04/598434104.db2.gz WWEGUDAFKDRRRD-SSCKCOOKSA-N -1 3 374.400 3.196 20 30 FGEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735648310 598535838 /nfs/dbraw/zinc/53/58/38/598535838.db2.gz PNFRTVJWQISBMQ-GOSISDBHSA-N -1 3 374.448 3.088 20 30 FGEDHM CC(C)(C)c1ccc([C@@H](C#N)NC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735648310 598535840 /nfs/dbraw/zinc/53/58/40/598535840.db2.gz PNFRTVJWQISBMQ-GOSISDBHSA-N -1 3 374.448 3.088 20 30 FGEDHM COc1ccc2c(c1)CCCC2=NOCc1ccc(F)cc1-c1nnn[n-]1 ZINC000737113779 598675568 /nfs/dbraw/zinc/67/55/68/598675568.db2.gz GDHPPUHOJUGVBR-UHFFFAOYSA-N -1 3 367.384 3.272 20 30 FGEDHM COc1ccc2c(c1)CCCC2=NOCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737113779 598675570 /nfs/dbraw/zinc/67/55/70/598675570.db2.gz GDHPPUHOJUGVBR-UHFFFAOYSA-N -1 3 367.384 3.272 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cnc(C2CC2)s1 ZINC000735420759 598818004 /nfs/dbraw/zinc/81/80/04/598818004.db2.gz SRMVQUDDONWNIS-UHFFFAOYSA-N -1 3 366.450 3.029 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cnc(C2CC2)s1 ZINC000735420759 598818006 /nfs/dbraw/zinc/81/80/06/598818006.db2.gz SRMVQUDDONWNIS-UHFFFAOYSA-N -1 3 366.450 3.029 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1coc2ccccc12 ZINC000735418483 598822308 /nfs/dbraw/zinc/82/23/08/598822308.db2.gz FVSVPOBCYZTMAN-UHFFFAOYSA-N -1 3 359.389 3.441 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1coc2ccccc12 ZINC000735418483 598822309 /nfs/dbraw/zinc/82/23/09/598822309.db2.gz FVSVPOBCYZTMAN-UHFFFAOYSA-N -1 3 359.389 3.441 20 30 FGEDHM C[C@@H](SCC(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)cc1 ZINC000736189357 599327958 /nfs/dbraw/zinc/32/79/58/599327958.db2.gz PDYFWZYRIIZQAA-GFCCVEGCSA-N -1 3 364.434 3.171 20 30 FGEDHM C[C@@H](SCC(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)cc1 ZINC000736189357 599327961 /nfs/dbraw/zinc/32/79/61/599327961.db2.gz PDYFWZYRIIZQAA-GFCCVEGCSA-N -1 3 364.434 3.171 20 30 FGEDHM FC(F)(F)c1ccc(N=NC2CCCc3cc(-c4nnn[n-]4)ccc32)nc1 ZINC000822728683 599333012 /nfs/dbraw/zinc/33/30/12/599333012.db2.gz IZVIETUDYMRGGR-UHFFFAOYSA-N -1 3 373.342 3.433 20 30 FGEDHM FC(F)(F)c1ccc(N=NC2CCCc3cc(-c4nn[n-]n4)ccc32)nc1 ZINC000822728683 599333015 /nfs/dbraw/zinc/33/30/15/599333015.db2.gz IZVIETUDYMRGGR-UHFFFAOYSA-N -1 3 373.342 3.433 20 30 FGEDHM FC(F)(F)c1cccc(N=NC2CCCc3cc(-c4nnn[n-]4)ccc32)n1 ZINC000822729043 599340161 /nfs/dbraw/zinc/34/01/61/599340161.db2.gz SCDNYHGGXTVPJE-UHFFFAOYSA-N -1 3 373.342 3.433 20 30 FGEDHM FC(F)(F)c1cccc(N=NC2CCCc3cc(-c4nn[n-]n4)ccc32)n1 ZINC000822729043 599340164 /nfs/dbraw/zinc/34/01/64/599340164.db2.gz SCDNYHGGXTVPJE-UHFFFAOYSA-N -1 3 373.342 3.433 20 30 FGEDHM N#CCCCCOC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737688104 599607868 /nfs/dbraw/zinc/60/78/68/599607868.db2.gz PSDJABMGVAIMKR-UHFFFAOYSA-N -1 3 362.393 3.461 20 30 FGEDHM N#CCC1(COC(=O)c2ccccc2-c2ccccc2-c2nnn[n-]2)CC1 ZINC000822806096 599626587 /nfs/dbraw/zinc/62/65/87/599626587.db2.gz IVWAQEOSRQXPFY-UHFFFAOYSA-N -1 3 359.389 3.384 20 30 FGEDHM N#CCC1(COC(=O)c2ccccc2-c2ccccc2-c2nn[n-]n2)CC1 ZINC000822806096 599626588 /nfs/dbraw/zinc/62/65/88/599626588.db2.gz IVWAQEOSRQXPFY-UHFFFAOYSA-N -1 3 359.389 3.384 20 30 FGEDHM CN(CCCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000737415272 599911749 /nfs/dbraw/zinc/91/17/49/599911749.db2.gz JRSHHQTYFVRRPU-LBPRGKRZSA-N -1 3 372.208 3.031 20 30 FGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000822922961 607455267 /nfs/dbraw/zinc/45/52/67/607455267.db2.gz LQFGMBJSDLZBKP-GQCTYLIASA-N -1 3 373.731 3.464 20 30 FGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000822922961 607455269 /nfs/dbraw/zinc/45/52/69/607455269.db2.gz LQFGMBJSDLZBKP-GQCTYLIASA-N -1 3 373.731 3.464 20 30 FGEDHM C[C@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000826053136 601204866 /nfs/dbraw/zinc/20/48/66/601204866.db2.gz ILGRIAUVJXVKQK-KPZWWZAWSA-N -1 3 371.824 3.202 20 30 FGEDHM CC(C)(C)n1ncc2c1CCC[C@H]2N[C@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000826529712 601306486 /nfs/dbraw/zinc/30/64/86/601306486.db2.gz XNFNINUUZUGDCX-AEFFLSMTSA-N -1 3 352.438 3.303 20 30 FGEDHM COc1ccc(CSCCOc2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000826207805 607532530 /nfs/dbraw/zinc/53/25/30/607532530.db2.gz FCBZTEZFIBCUDQ-UHFFFAOYSA-N -1 3 367.434 3.059 20 30 FGEDHM FC(F)(F)c1ccc(CON=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000826368453 607533528 /nfs/dbraw/zinc/53/35/28/607533528.db2.gz QBFHTAVJPNYKFK-UHFFFAOYSA-N -1 3 353.329 3.498 20 30 FGEDHM FC(F)(F)c1ccc(CON=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000826368453 607533529 /nfs/dbraw/zinc/53/35/29/607533529.db2.gz QBFHTAVJPNYKFK-UHFFFAOYSA-N -1 3 353.329 3.498 20 30 FGEDHM N#Cc1cc(-c2nnn[n-]2)c(N)nc1S[C@@H]1CCc2c1cccc2Cl ZINC000826383777 607710786 /nfs/dbraw/zinc/71/07/86/607710786.db2.gz PRVAKLGIRUPBQN-CYBMUJFWSA-N -1 3 369.841 3.149 20 30 FGEDHM N#Cc1cc(-c2nn[n-]n2)c(N)nc1S[C@@H]1CCc2c1cccc2Cl ZINC000826383777 607710788 /nfs/dbraw/zinc/71/07/88/607710788.db2.gz PRVAKLGIRUPBQN-CYBMUJFWSA-N -1 3 369.841 3.149 20 30 FGEDHM Cc1nccn1-c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822479028 606339781 /nfs/dbraw/zinc/33/97/81/606339781.db2.gz XSXKUJRIEFUVQH-SOFGYWHQSA-N -1 3 362.418 3.318 20 30 FGEDHM Cc1nccn1-c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)s2)cc1 ZINC000822479028 606339783 /nfs/dbraw/zinc/33/97/83/606339783.db2.gz XSXKUJRIEFUVQH-SOFGYWHQSA-N -1 3 362.418 3.318 20 30 FGEDHM CC(N=Nc1nc(C(F)(F)F)cs1)c1cccc(-c2nnn[n-]2)c1 ZINC000819782875 606703043 /nfs/dbraw/zinc/70/30/43/606703043.db2.gz QRZIFXSTLQWFJZ-UHFFFAOYSA-N -1 3 353.333 3.178 20 30 FGEDHM CC(N=Nc1nc(C(F)(F)F)cs1)c1cccc(-c2nn[n-]n2)c1 ZINC000819782875 606703044 /nfs/dbraw/zinc/70/30/44/606703044.db2.gz QRZIFXSTLQWFJZ-UHFFFAOYSA-N -1 3 353.333 3.178 20 30 FGEDHM C=C[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)cc1 ZINC000819730385 606832513 /nfs/dbraw/zinc/83/25/13/606832513.db2.gz YHKBVRPGCSKJNA-LBPRGKRZSA-N -1 3 350.382 3.355 20 30 FGEDHM C=C[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)cc1 ZINC000819730385 606832515 /nfs/dbraw/zinc/83/25/15/606832515.db2.gz YHKBVRPGCSKJNA-LBPRGKRZSA-N -1 3 350.382 3.355 20 30 FGEDHM N#Cc1cc(F)ccc1COc1ccc(Br)cc1-c1nnn[n-]1 ZINC000822822724 607032339 /nfs/dbraw/zinc/03/23/39/607032339.db2.gz DEYHCOOVNRZVPE-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM N#Cc1cc(F)ccc1COc1ccc(Br)cc1-c1nn[n-]n1 ZINC000822822724 607032340 /nfs/dbraw/zinc/03/23/40/607032340.db2.gz DEYHCOOVNRZVPE-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM N#Cc1cc(COc2ccc(Br)cc2-c2nnn[n-]2)ccc1F ZINC000822818802 607042006 /nfs/dbraw/zinc/04/20/06/607042006.db2.gz FZGLWLBIHQDWKS-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM N#Cc1cc(COc2ccc(Br)cc2-c2nn[n-]n2)ccc1F ZINC000822818802 607042008 /nfs/dbraw/zinc/04/20/08/607042008.db2.gz FZGLWLBIHQDWKS-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM Cc1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cnc1Cl ZINC000822198665 607149216 /nfs/dbraw/zinc/14/92/16/607149216.db2.gz FFPVDWWJARIYMU-NTUHNPAUSA-N -1 3 351.797 3.436 20 30 FGEDHM Cc1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cnc1Cl ZINC000822198665 607149217 /nfs/dbraw/zinc/14/92/17/607149217.db2.gz FFPVDWWJARIYMU-NTUHNPAUSA-N -1 3 351.797 3.436 20 30 FGEDHM C#CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2nnn[n-]2)c1 ZINC000823837976 607818959 /nfs/dbraw/zinc/81/89/59/607818959.db2.gz JQRRAJMEBMWOQA-UHFFFAOYSA-N -1 3 373.294 3.250 20 30 FGEDHM C#CC(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(-c2nn[n-]n2)c1 ZINC000823837976 607818960 /nfs/dbraw/zinc/81/89/60/607818960.db2.gz JQRRAJMEBMWOQA-UHFFFAOYSA-N -1 3 373.294 3.250 20 30 FGEDHM COc1cc(C(=O)C=Cc2ccccc2-c2nnn[n-]2)ccc1OC(F)F ZINC000826176861 607884144 /nfs/dbraw/zinc/88/41/44/607884144.db2.gz HQWWZAFGFYQOLP-VURMDHGXSA-N -1 3 372.331 3.373 20 30 FGEDHM COc1cc(C(=O)C=Cc2ccccc2-c2nn[n-]n2)ccc1OC(F)F ZINC000826176861 607884145 /nfs/dbraw/zinc/88/41/45/607884145.db2.gz HQWWZAFGFYQOLP-VURMDHGXSA-N -1 3 372.331 3.373 20 30 FGEDHM COc1cc(OC)c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1Cl ZINC000826181307 607884361 /nfs/dbraw/zinc/88/43/61/607884361.db2.gz ULMHIXGUCBPWOD-BQYQJAHWSA-N -1 3 370.796 3.433 20 30 FGEDHM COc1cc(OC)c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cc1Cl ZINC000826181307 607884362 /nfs/dbraw/zinc/88/43/62/607884362.db2.gz ULMHIXGUCBPWOD-BQYQJAHWSA-N -1 3 370.796 3.433 20 30 FGEDHM Fc1cc(Br)ccc1NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826372300 607888573 /nfs/dbraw/zinc/88/85/73/607888573.db2.gz QJKYRRHKTMZPKH-UHFFFAOYSA-N -1 3 361.178 3.214 20 30 FGEDHM Fc1cc(Br)ccc1NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826372300 607888574 /nfs/dbraw/zinc/88/85/74/607888574.db2.gz QJKYRRHKTMZPKH-UHFFFAOYSA-N -1 3 361.178 3.214 20 30 FGEDHM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000824457076 607925833 /nfs/dbraw/zinc/92/58/33/607925833.db2.gz DQKLXZUKVJPEJB-NSHDSACASA-N -1 3 366.812 3.209 20 30 FGEDHM C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000824457076 607925834 /nfs/dbraw/zinc/92/58/34/607925834.db2.gz DQKLXZUKVJPEJB-NSHDSACASA-N -1 3 366.812 3.209 20 30 FGEDHM CC(C)(C)c1cc(NC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C#N)s1 ZINC000824130530 607929125 /nfs/dbraw/zinc/92/91/25/607929125.db2.gz LULMBXKGGABGPG-UHFFFAOYSA-N -1 3 352.423 3.350 20 30 FGEDHM CC(C)(C)c1cc(NC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C#N)s1 ZINC000824130530 607929126 /nfs/dbraw/zinc/92/91/26/607929126.db2.gz LULMBXKGGABGPG-UHFFFAOYSA-N -1 3 352.423 3.350 20 30 FGEDHM C#CC[C@@H](NC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1ccccc1 ZINC000823838553 607959896 /nfs/dbraw/zinc/95/98/96/607959896.db2.gz REALQRZAFBOAOD-MRXNPFEDSA-N -1 3 366.812 3.406 20 30 FGEDHM C#CC[C@@H](NC(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1 ZINC000823838553 607959897 /nfs/dbraw/zinc/95/98/97/607959897.db2.gz REALQRZAFBOAOD-MRXNPFEDSA-N -1 3 366.812 3.406 20 30 FGEDHM C[C@@H](C#N)OC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000824034597 608059781 /nfs/dbraw/zinc/05/97/81/608059781.db2.gz MCAYJEVKFNDXOB-JTQLQIEISA-N -1 3 369.768 3.381 20 30 FGEDHM C[C@@H](C#N)OC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000824034597 608059782 /nfs/dbraw/zinc/05/97/82/608059782.db2.gz MCAYJEVKFNDXOB-JTQLQIEISA-N -1 3 369.768 3.381 20 30 FGEDHM CCC(Cc1ccc(OC)c(OC)c1)N=Nc1cccc(-c2nnn[n-]2)c1 ZINC000825125234 608109822 /nfs/dbraw/zinc/10/98/22/608109822.db2.gz BOQKULNNVFRDFH-UHFFFAOYSA-N -1 3 366.425 3.305 20 30 FGEDHM CCC(Cc1ccc(OC)c(OC)c1)N=Nc1cccc(-c2nn[n-]n2)c1 ZINC000825125234 608109823 /nfs/dbraw/zinc/10/98/23/608109823.db2.gz BOQKULNNVFRDFH-UHFFFAOYSA-N -1 3 366.425 3.305 20 30 FGEDHM C#CCOc1ccccc1CNc1ccc2cc(-c3nnn[n-]3)ccc2n1 ZINC000823861468 608228060 /nfs/dbraw/zinc/22/80/60/608228060.db2.gz JNXFTSQNEGSLCG-UHFFFAOYSA-N -1 3 356.389 3.039 20 30 FGEDHM C#CCOc1ccccc1CNc1ccc2cc(-c3nn[n-]n3)ccc2n1 ZINC000823861468 608228061 /nfs/dbraw/zinc/22/80/61/608228061.db2.gz JNXFTSQNEGSLCG-UHFFFAOYSA-N -1 3 356.389 3.039 20 30 FGEDHM CCOc1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)cc2)cc1[N+](=O)[O-] ZINC000825631771 608228901 /nfs/dbraw/zinc/22/89/01/608228901.db2.gz FUIBCLARFJENHN-UHFFFAOYSA-N -1 3 367.369 3.010 20 30 FGEDHM CCOc1ccc(C(=O)C=Cc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000825631654 608230060 /nfs/dbraw/zinc/23/00/60/608230060.db2.gz FMWFSUGISWCBSH-SOFGYWHQSA-N -1 3 365.349 3.070 20 30 FGEDHM CCOc1ccc(C(=O)C=Cc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000825631654 608230061 /nfs/dbraw/zinc/23/00/61/608230061.db2.gz FMWFSUGISWCBSH-SOFGYWHQSA-N -1 3 365.349 3.070 20 30 FGEDHM COc1cc(-c2nnn[n-]2)ccc1CSCc1ccc(F)cc1C#N ZINC000826173832 608323239 /nfs/dbraw/zinc/32/32/39/608323239.db2.gz WTNRLMVEVJNYSD-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM COc1cc(-c2nn[n-]n2)ccc1CSCc1ccc(F)cc1C#N ZINC000826173832 608323240 /nfs/dbraw/zinc/32/32/40/608323240.db2.gz WTNRLMVEVJNYSD-UHFFFAOYSA-N -1 3 355.398 3.319 20 30 FGEDHM COc1ccc(CSCc2ccc(C#N)cc2OC)cc1-c1nnn[n-]1 ZINC000826176762 608323326 /nfs/dbraw/zinc/32/33/26/608323326.db2.gz CCUBXJDOQWGWLB-UHFFFAOYSA-N -1 3 367.434 3.189 20 30 FGEDHM COc1ccc(CSCc2ccc(C#N)cc2OC)cc1-c1nn[n-]n1 ZINC000826176762 608323327 /nfs/dbraw/zinc/32/33/27/608323327.db2.gz CCUBXJDOQWGWLB-UHFFFAOYSA-N -1 3 367.434 3.189 20 30 FGEDHM C=CC[C@@H](C)NC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823888515 608355327 /nfs/dbraw/zinc/35/53/27/608355327.db2.gz PFJVRCUMCYSMSB-CQSZACIVSA-N -1 3 362.437 3.298 20 30 FGEDHM C=CC[C@@H](C)NC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823888515 608355329 /nfs/dbraw/zinc/35/53/29/608355329.db2.gz PFJVRCUMCYSMSB-CQSZACIVSA-N -1 3 362.437 3.298 20 30 FGEDHM Clc1cc(-c2nnn[n-]2)cc(N=NC2CCC3(CCOCC3)CC2)n1 ZINC000826350140 608537731 /nfs/dbraw/zinc/53/77/31/608537731.db2.gz JURPHUTYDWLDRN-UHFFFAOYSA-N -1 3 361.837 3.054 20 30 FGEDHM Clc1cc(-c2nn[n-]n2)cc(N=NC2CCC3(CCOCC3)CC2)n1 ZINC000826350140 608537732 /nfs/dbraw/zinc/53/77/32/608537732.db2.gz JURPHUTYDWLDRN-UHFFFAOYSA-N -1 3 361.837 3.054 20 30 FGEDHM CC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cc(F)c(F)c(F)c1 ZINC000823953893 608537992 /nfs/dbraw/zinc/53/79/92/608537992.db2.gz UQGJDLVYHJIUBW-UHFFFAOYSA-N -1 3 367.722 3.169 20 30 FGEDHM CC1(C)CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c2ccccc21 ZINC000824788924 608538458 /nfs/dbraw/zinc/53/84/58/608538458.db2.gz DOTIHDRTOLNDAT-UHFFFAOYSA-N -1 3 353.817 3.413 20 30 FGEDHM CC1(C)CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c2ccccc21 ZINC000824788924 608538459 /nfs/dbraw/zinc/53/84/59/608538459.db2.gz DOTIHDRTOLNDAT-UHFFFAOYSA-N -1 3 353.817 3.413 20 30 FGEDHM C=CCN(Cc1cc(-c2ccccc2)n[nH]1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914152 608631188 /nfs/dbraw/zinc/63/11/88/608631188.db2.gz BPMGFLNUNVACML-UHFFFAOYSA-N -1 3 371.448 3.445 20 30 FGEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nnn[n-]3)c1)CCO2 ZINC000826212456 608879466 /nfs/dbraw/zinc/87/94/66/608879466.db2.gz RAEBSDQRIMENBO-WQLSENKSSA-N -1 3 366.352 3.063 20 30 FGEDHM COc1ccc2c(c1)C(=O)C(=Cc1ccc(F)c(-c3nn[n-]n3)c1)CCO2 ZINC000826212456 608879467 /nfs/dbraw/zinc/87/94/67/608879467.db2.gz RAEBSDQRIMENBO-WQLSENKSSA-N -1 3 366.352 3.063 20 30 FGEDHM Cc1c(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cccc1-c1nnn[n-]1 ZINC000826242030 609160380 /nfs/dbraw/zinc/16/03/80/609160380.db2.gz XKXHCMPETYMVAQ-NSHDSACASA-N -1 3 363.381 3.110 20 30 FGEDHM Cc1c(NC(=O)Nc2ccccc2O[C@@H](C)C#N)cccc1-c1nn[n-]n1 ZINC000826242030 609160382 /nfs/dbraw/zinc/16/03/82/609160382.db2.gz XKXHCMPETYMVAQ-NSHDSACASA-N -1 3 363.381 3.110 20 30 FGEDHM COc1ccc(C=NNc2nc3ccccc3cc2C)cc1-c1nnn[n-]1 ZINC000826190954 609161256 /nfs/dbraw/zinc/16/12/56/609161256.db2.gz RTFYDPBLYAOAJT-UHFFFAOYSA-N -1 3 359.393 3.178 20 30 FGEDHM COc1ccc(C=NNc2nc3ccccc3cc2C)cc1-c1nn[n-]n1 ZINC000826190954 609161257 /nfs/dbraw/zinc/16/12/57/609161257.db2.gz RTFYDPBLYAOAJT-UHFFFAOYSA-N -1 3 359.393 3.178 20 30 FGEDHM CCNc1ccc(-c2nn[n-]n2)cc1NCC#Cc1ccccc1Cl ZINC000825476342 609178784 /nfs/dbraw/zinc/17/87/84/609178784.db2.gz GYIBKNPYHKOCRX-UHFFFAOYSA-N -1 3 352.829 3.416 20 30 FGEDHM C[C@H](C#N)Oc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000824034196 609269503 /nfs/dbraw/zinc/26/95/03/609269503.db2.gz HUSXSZLHFOPBDJ-OXFRDRNISA-N -1 3 363.352 3.193 20 30 FGEDHM C[C@H](C#N)Oc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000824034196 609269506 /nfs/dbraw/zinc/26/95/06/609269506.db2.gz HUSXSZLHFOPBDJ-OXFRDRNISA-N -1 3 363.352 3.193 20 30 FGEDHM Cc1nnc(SCc2ccccc2C(C)(C)C#N)c(-c2nnn[n-]2)c1C ZINC000826337399 609306590 /nfs/dbraw/zinc/30/65/90/609306590.db2.gz NIPQZRDIHUPAKX-UHFFFAOYSA-N -1 3 365.466 3.367 20 30 FGEDHM Cc1nnc(SCc2ccccc2C(C)(C)C#N)c(-c2nn[n-]n2)c1C ZINC000826337399 609306592 /nfs/dbraw/zinc/30/65/92/609306592.db2.gz NIPQZRDIHUPAKX-UHFFFAOYSA-N -1 3 365.466 3.367 20 30 FGEDHM COc1cc(Br)ccc1C=NNc1cccc(-c2nnn[n-]2)c1 ZINC000826176878 609374387 /nfs/dbraw/zinc/37/43/87/609374387.db2.gz IEAIQPAUJGDMGZ-UHFFFAOYSA-N -1 3 373.214 3.084 20 30 FGEDHM COc1cc(Br)ccc1C=NNc1cccc(-c2nn[n-]n2)c1 ZINC000826176878 609374389 /nfs/dbraw/zinc/37/43/89/609374389.db2.gz IEAIQPAUJGDMGZ-UHFFFAOYSA-N -1 3 373.214 3.084 20 30 FGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826402573 609443021 /nfs/dbraw/zinc/44/30/21/609443021.db2.gz XILHYVUXCIZQIQ-YVMONPNESA-N -1 3 355.741 3.324 20 30 FGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826402573 609443022 /nfs/dbraw/zinc/44/30/22/609443022.db2.gz XILHYVUXCIZQIQ-YVMONPNESA-N -1 3 355.741 3.324 20 30 FGEDHM COc1ccc2c(c1)C(=NNc1ccc(-c3nnn[n-]3)c(Cl)c1)CC2 ZINC000826212559 609473971 /nfs/dbraw/zinc/47/39/71/609473971.db2.gz UOGGRTSTJXGNQY-UHFFFAOYSA-N -1 3 354.801 3.291 20 30 FGEDHM COc1ccc2c(c1)C(=NNc1ccc(-c3nn[n-]n3)c(Cl)c1)CC2 ZINC000826212559 609473974 /nfs/dbraw/zinc/47/39/74/609473974.db2.gz UOGGRTSTJXGNQY-UHFFFAOYSA-N -1 3 354.801 3.291 20 30 FGEDHM CCOc1ccc(-c2nnn[n-]2)cc1NCc1ccc(O[C@H](C)C#N)cc1 ZINC000825632248 609477536 /nfs/dbraw/zinc/47/75/36/609477536.db2.gz MVTOGJNGRJDNAW-CYBMUJFWSA-N -1 3 364.409 3.168 20 30 FGEDHM CCOc1ccc(-c2nn[n-]n2)cc1NCc1ccc(O[C@H](C)C#N)cc1 ZINC000825632248 609477538 /nfs/dbraw/zinc/47/75/38/609477538.db2.gz MVTOGJNGRJDNAW-CYBMUJFWSA-N -1 3 364.409 3.168 20 30 FGEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1nnc2ccccc2c1[O-] ZINC000110042073 700538080 /nfs/dbraw/zinc/53/80/80/700538080.db2.gz CQZABBBUHFOBNI-UHFFFAOYSA-N -1 3 359.838 3.466 20 30 FGEDHM CC(C)Oc1cccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)n1 ZINC000178980774 705683800 /nfs/dbraw/zinc/68/38/00/705683800.db2.gz FTBWBVRTSUODJF-AWEZNQCLSA-N -1 3 357.797 3.483 20 30 FGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CCC)ccc1F ZINC000183899932 705909013 /nfs/dbraw/zinc/90/90/13/705909013.db2.gz ZOSYMPBSICLODL-OAHLLOKOSA-N -1 3 368.474 3.085 20 30 FGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cncc(Br)c2)cc1 ZINC000193446773 712891912 /nfs/dbraw/zinc/89/19/12/712891912.db2.gz MRHSQTHMHJACIM-OAHLLOKOSA-N -1 3 372.222 3.368 20 30 FGEDHM CC(C)C(=O)N1CCC(/N=C\c2cc(Br)ccc2[O-])CC1 ZINC000255324992 713691640 /nfs/dbraw/zinc/69/16/40/713691640.db2.gz UPZCGAMUFFVIBW-ZDLGFXPLSA-N -1 3 353.260 3.221 20 30 FGEDHM CSc1ccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c([O-])c1 ZINC000374368219 713916901 /nfs/dbraw/zinc/91/69/01/713916901.db2.gz YLQAQODAIUEJIT-UHFFFAOYSA-N -1 3 353.447 3.207 20 30 FGEDHM CC(C)COC[C@H]([N-]S(=O)(=O)c1cccc(CC#N)c1)c1ccco1 ZINC000619480627 714842521 /nfs/dbraw/zinc/84/25/21/714842521.db2.gz GBELHMPDPRBVDH-KRWDZBQOSA-N -1 3 362.451 3.038 20 30 FGEDHM N#CC1(CS(=O)(=O)[N-]CC(=O)c2ccc(F)cc2Cl)CCCCC1 ZINC000625608575 715758817 /nfs/dbraw/zinc/75/88/17/715758817.db2.gz ULQPRMWLHMEPHH-UHFFFAOYSA-N -1 3 372.849 3.055 20 30 FGEDHM C[C@@H]1c2c(c([O-])ccc2F)C(=O)/C1=C\c1cc(Br)nn1C ZINC000782324237 724653759 /nfs/dbraw/zinc/65/37/59/724653759.db2.gz XYLULXYWGAKAGW-VYVBZAQUSA-N -1 3 351.175 3.411 20 30 FGEDHM COc1ccc(NC(=S)NN=C(C)c2ccc([O-])c(F)c2)cc1OC ZINC000728427919 722451668 /nfs/dbraw/zinc/45/16/68/722451668.db2.gz KWCVIFMLBDVSKJ-UHFFFAOYSA-N -1 3 363.414 3.259 20 30 FGEDHM COc1ccc(NC(=S)NN=C(C)c2ccc([O-])c(F)c2)cc1F ZINC000728429462 722451702 /nfs/dbraw/zinc/45/17/02/722451702.db2.gz GCCWQSIJYYNKEQ-UHFFFAOYSA-N -1 3 351.378 3.390 20 30 FGEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 ZINC000730995898 722472518 /nfs/dbraw/zinc/47/25/18/722472518.db2.gz BCYDYCFGBMSAQP-UHFFFAOYSA-N -1 3 371.336 3.398 20 30 FGEDHM O=S1(=O)CCCN1c1cc(N=Cc2cc(Cl)ccc2[O-])ccc1F ZINC000731561908 722476461 /nfs/dbraw/zinc/47/64/61/722476461.db2.gz CFQUCPPZVZJVNA-UHFFFAOYSA-N -1 3 368.817 3.475 20 30 FGEDHM Cc1ncc(CO)c(C=NNc2c(F)cc(F)cc2Br)c1[O-] ZINC000741770646 722548994 /nfs/dbraw/zinc/54/89/94/722548994.db2.gz FLCWABBTSIEAHP-UHFFFAOYSA-N -1 3 372.169 3.075 20 30 FGEDHM CCOC(=O)c1sc([N-]C(=O)c2cc(OC)cs2)c(C#N)c1C ZINC000747294230 722642781 /nfs/dbraw/zinc/64/27/81/722642781.db2.gz DLLOFXKHZTYRRR-UHFFFAOYSA-N -1 3 350.421 3.427 20 30 FGEDHM CCCCCCC[C@H](C)CNC(=O)c1cc(S(=O)(=O)[N-]C)oc1C ZINC000751362593 722802926 /nfs/dbraw/zinc/80/29/26/722802926.db2.gz CMQUGFDYAGEKIF-ZDUSSCGKSA-N -1 3 358.504 3.223 20 30 FGEDHM CC(C)c1nc(C#N)c(N=NCc2cc(O)c([O-])c(Br)c2)o1 ZINC000757578743 722977197 /nfs/dbraw/zinc/97/71/97/722977197.db2.gz XDFBULQPALYTDI-UHFFFAOYSA-N -1 3 365.187 3.289 20 30 FGEDHM COc1ccc(C=NNCCc2ccccc2F)c(Br)c1[O-] ZINC000761013306 723113182 /nfs/dbraw/zinc/11/31/82/723113182.db2.gz RYARLGUDGFNBJN-UHFFFAOYSA-N -1 3 367.218 3.469 20 30 FGEDHM CC[C@H](C)CON=Cc1cc(I)c([O-])c(OC)c1 ZINC000793158485 723405338 /nfs/dbraw/zinc/40/53/38/723405338.db2.gz HRYYDLXAWRAPSU-VIFPVBQESA-N -1 3 363.195 3.402 20 30 FGEDHM COc1ccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2)nc1Cl ZINC000766840967 723595224 /nfs/dbraw/zinc/59/52/24/723595224.db2.gz OPLYDCIMSVPMGD-LLVKDONJSA-N -1 3 364.188 3.358 20 30 FGEDHM COc1c([O-])c(CN=Nc2ncc(Cl)cc2Cl)ccc1[N+](=O)[O-] ZINC000773029179 723774851 /nfs/dbraw/zinc/77/48/51/723774851.db2.gz VAILBKZXDAULSK-UHFFFAOYSA-N -1 3 357.153 3.457 20 30 FGEDHM C#C[C@H]([N-]S(=O)(=O)c1cc(Br)ccc1Cl)C(C)C ZINC000798472378 723935317 /nfs/dbraw/zinc/93/53/17/723935317.db2.gz LHYNNJPJNZCKFH-NSHDSACASA-N -1 3 350.665 3.039 20 30 FGEDHM CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811394476 725361404 /nfs/dbraw/zinc/36/14/04/725361404.db2.gz DMDBFZQXXIZVFC-SECBINFHSA-N -1 3 353.831 3.048 20 30 FGEDHM N#Cc1ccc(C=N[N-]S(=O)(=O)Cc2ccccc2)c(C(F)(F)F)c1 ZINC000811640176 725375491 /nfs/dbraw/zinc/37/54/91/725375491.db2.gz OABUWEVUMAWAHF-UHFFFAOYSA-N -1 3 367.352 3.031 20 30 FGEDHM CCC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc(Cl)c(N)c1 ZINC000814816272 727003276 /nfs/dbraw/zinc/00/32/76/727003276.db2.gz MHYQRVXWUMLBKA-UHFFFAOYSA-N -1 3 351.859 3.156 20 30 FGEDHM O=C(N[C@H]1CCN([O-])C1=O)c1cc(Cl)ccc1Sc1ccccc1 ZINC000820186253 728973175 /nfs/dbraw/zinc/97/31/75/728973175.db2.gz WUGLQCWAERPJDF-AWEZNQCLSA-N -1 3 362.838 3.211 20 30 FGEDHM CCCCc1ccc(NC(=O)C(C#N)=C([O-])c2cc(Cl)n(C)n2)cc1 ZINC000835061215 729854307 /nfs/dbraw/zinc/85/43/07/729854307.db2.gz GKWGONLPDAFTAO-CQSZACIVSA-N -1 3 358.829 3.377 20 30 FGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cc2n(n1)CCC2 ZINC000835064106 729854786 /nfs/dbraw/zinc/85/47/86/729854786.db2.gz BICBJBKWFZOQCE-NSHDSACASA-N -1 3 363.204 3.097 20 30 FGEDHM C[C@]1(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)C[C@]1(F)Cl ZINC000845984607 730915937 /nfs/dbraw/zinc/91/59/37/730915937.db2.gz WYVZJNWJKOFJIA-QWHCGFSZSA-N -1 3 351.230 3.195 20 30 FGEDHM Cc1ccccc1Sc1ccc(C(=O)N[C@@H]2CCCN([O-])C2=O)cc1 ZINC000848135423 731134347 /nfs/dbraw/zinc/13/43/47/731134347.db2.gz DEDMQBAXMMBAIM-MRXNPFEDSA-N -1 3 356.447 3.256 20 30 FGEDHM C=C(C)CO[N-]C(=O)Cc1ccc(Br)c(Br)c1 ZINC000855026578 731888435 /nfs/dbraw/zinc/88/84/35/731888435.db2.gz JLRNHLHJWIGXLF-UHFFFAOYSA-N -1 3 363.049 3.378 20 30 FGEDHM C#CC[C@H](CCOC)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000859425316 732326678 /nfs/dbraw/zinc/32/66/78/732326678.db2.gz FWVKWYJHUHXEKX-LLVKDONJSA-N -1 3 369.792 3.066 20 30 FGEDHM N#Cc1cc([O-])cc(C(=O)OCC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1 ZINC000859642053 732366887 /nfs/dbraw/zinc/36/68/87/732366887.db2.gz NUYKANDWOCDGSG-AAEUAGOBSA-N -1 3 355.312 3.358 20 30 FGEDHM N#CC(=C([O-])C=CCOC1CCOCC1)c1cc(C(F)(F)F)ccn1 ZINC000870379955 733845835 /nfs/dbraw/zinc/84/58/35/733845835.db2.gz NMPDFXGRYLJINF-YUKKFKLSSA-N -1 3 354.328 3.028 20 30 FGEDHM 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/nfs/dbraw/zinc/93/75/54/743937554.db2.gz CPAKHJTXYXWWFC-INIZCTEOSA-N -1 3 358.825 3.220 20 30 FGEDHM CC1(c2ncc(C(=O)N([O-])Cc3ccccc3Cl)s2)OCCO1 ZINC000904193861 743937634 /nfs/dbraw/zinc/93/76/34/743937634.db2.gz XHPVDSZRRJFYHO-UHFFFAOYSA-N -1 3 354.815 3.048 20 30 FGEDHM N#CC(C(=O)Nc1ccccc1Cl)=C([O-])c1ccc2[nH]c(=O)oc2c1 ZINC000920110051 758512373 /nfs/dbraw/zinc/51/23/73/758512373.db2.gz YADWRRWIDFAORF-SNVBAGLBSA-N -1 3 355.737 3.148 20 30 FGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1cc(C)ccc1OC(F)F ZINC000920384093 758546675 /nfs/dbraw/zinc/54/66/75/758546675.db2.gz UUCUQJPSNHIGOC-UHFFFAOYSA-N -1 3 368.405 3.440 20 30 FGEDHM CCC(O)(CC)C(C)(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000576838037 505606488 /nfs/dbraw/zinc/60/64/88/505606488.db2.gz MVCMETLAKSDMMO-UHFFFAOYSA-N -1 3 358.891 3.067 20 30 FGEDHM Cc1cc(-c2nc(-c3ccc4n[n-]nc4c3)no2)nn1-c1cccc(C#N)c1 ZINC000579785721 505620366 /nfs/dbraw/zinc/62/03/66/505620366.db2.gz VCUNIFQWIHHFQN-UHFFFAOYSA-N -1 3 368.360 3.041 20 30 FGEDHM 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/nfs/dbraw/zinc/29/05/35/505290535.db2.gz XPQNJTXIZXZKPM-UHFFFAOYSA-N -1 3 356.405 3.093 20 30 FGEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(F)cc2nn[n-]c21 ZINC000561241719 505290540 /nfs/dbraw/zinc/29/05/40/505290540.db2.gz XPQNJTXIZXZKPM-UHFFFAOYSA-N -1 3 356.405 3.093 20 30 FGEDHM C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc(F)cc2n[n-]nc21 ZINC000561241719 505290544 /nfs/dbraw/zinc/29/05/44/505290544.db2.gz XPQNJTXIZXZKPM-UHFFFAOYSA-N -1 3 356.405 3.093 20 30 FGEDHM N#Cc1ccncc1C(=O)[N-]c1nnc(Cc2cccc(Cl)c2)s1 ZINC000564119829 505330565 /nfs/dbraw/zinc/33/05/65/505330565.db2.gz BMUPCCBOCRGAGV-UHFFFAOYSA-N -1 3 355.810 3.301 20 30 FGEDHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(Cl)cn1 ZINC000561553921 505375911 /nfs/dbraw/zinc/37/59/11/505375911.db2.gz AGGNLZBSLRZHEJ-VIFPVBQESA-N -1 3 356.234 3.300 20 30 FGEDHM CCN=c1[n-]c(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cs1 ZINC000564619086 505471333 /nfs/dbraw/zinc/47/13/33/505471333.db2.gz HXIUVYZUQZZVFT-UHFFFAOYSA-N -1 3 365.418 3.308 20 30 FGEDHM C=CCN(CC=C)[C@H](CNC(=O)N=c1ncn(C2CCCCC2)[n-]1)C(C)C ZINC000567523098 505487026 /nfs/dbraw/zinc/48/70/26/505487026.db2.gz KWGNRACLPPHSHP-GOSISDBHSA-N -1 3 374.533 3.025 20 30 FGEDHM C=CCN(CC=C)[C@@H](CNC(=O)N=c1ncn(C2CCCCC2)[n-]1)C(C)C ZINC000567523099 505487426 /nfs/dbraw/zinc/48/74/26/505487426.db2.gz KWGNRACLPPHSHP-SFHVURJKSA-N -1 3 374.533 3.025 20 30 FGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-]C[C@H]1CC12CCSCC2 ZINC000582838815 506448678 /nfs/dbraw/zinc/44/86/78/506448678.db2.gz LAQLYIJSBJSLJA-GFCCVEGCSA-N -1 3 356.900 3.023 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(F)cc(N(C)C)c1 ZINC000593317572 506533724 /nfs/dbraw/zinc/53/37/24/506533724.db2.gz ZIYHXVPCHYWESI-UHFFFAOYSA-N -1 3 356.401 3.052 20 30 FGEDHM C[C@]1(C#N)CCCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000612367142 506546458 /nfs/dbraw/zinc/54/64/58/506546458.db2.gz BJQKEGGVOOFMQO-QGZVFWFLSA-N -1 3 374.238 3.056 20 30 FGEDHM N#Cc1cccnc1OC1CCC(NC(=O)c2cc([O-])ccc2Cl)CC1 ZINC000589490198 506567100 /nfs/dbraw/zinc/56/71/00/506567100.db2.gz SHGSJJHIUFHDNK-UHFFFAOYSA-N -1 3 371.824 3.432 20 30 FGEDHM Cc1ccc2[nH]c3c(c2c1)C[C@@H]([N-]S(=O)(=O)c1ccsc1C#N)CC3 ZINC000593572973 506688083 /nfs/dbraw/zinc/68/80/83/506688083.db2.gz RCHYDXZCKGGTFZ-LBPRGKRZSA-N -1 3 371.487 3.245 20 30 FGEDHM CCOC(=O)c1sc([N-]C(=O)c2ccnc(C3CC3)n2)c(C#N)c1C ZINC000609563168 506922615 /nfs/dbraw/zinc/92/26/15/506922615.db2.gz FDOWLUDFJDUXSF-UHFFFAOYSA-N -1 3 356.407 3.025 20 30 FGEDHM Cc1nc(C(=O)[N-]c2ccncc2C#N)nn1-c1c(Cl)cccc1Cl ZINC000609785839 507000544 /nfs/dbraw/zinc/00/05/44/507000544.db2.gz YHYWJLATWLRNRH-UHFFFAOYSA-N -1 3 373.203 3.402 20 30 FGEDHM Cc1cc(Br)c(F)cc1S(=O)(=O)[N-][C@H](C#N)C(C)(C)C ZINC000600668069 507054959 /nfs/dbraw/zinc/05/49/59/507054959.db2.gz LJHGTXJFZDZENP-GFCCVEGCSA-N -1 3 363.252 3.113 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2Cc2ccccc2)c(F)c1 ZINC000610089417 507095919 /nfs/dbraw/zinc/09/59/19/507095919.db2.gz PTOAUBUEFQKSAV-FUHWJXTLSA-N -1 3 358.438 3.387 20 30 FGEDHM Cc1cc(S(=O)(=O)[N-][C@@H](C#N)CC(C)C)c(F)cc1Br ZINC000591259709 507173388 /nfs/dbraw/zinc/17/33/88/507173388.db2.gz OLNZFPIBHUBXPH-SNVBAGLBSA-N -1 3 363.252 3.113 20 30 FGEDHM C=CCC(C)(C)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000584163164 507189695 /nfs/dbraw/zinc/18/96/95/507189695.db2.gz FRPFMQWFOLTYAW-UHFFFAOYSA-N -1 3 356.463 3.443 20 30 FGEDHM CO[C@@H]([C@@H](C)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C)C1CC1 ZINC000594780486 507278651 /nfs/dbraw/zinc/27/86/51/507278651.db2.gz PHOMYEJFKMZJPI-BZNIZROVSA-N -1 3 364.492 3.173 20 30 FGEDHM C=CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cccc(F)c1C(=O)OC ZINC000594789340 507280017 /nfs/dbraw/zinc/28/00/17/507280017.db2.gz LNNIKHPQUWMISE-TZMCWYRMSA-N -1 3 355.431 3.026 20 30 FGEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1ccccn1 ZINC000594795549 507284490 /nfs/dbraw/zinc/28/44/90/507284490.db2.gz MTJIMJILYPMLJW-NSHDSACASA-N -1 3 369.368 3.054 20 30 FGEDHM C[C@@]1(CC[N-]S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1(F)F ZINC000594858641 507298318 /nfs/dbraw/zinc/29/83/18/507298318.db2.gz UJTKQBOIVNRJJP-GFCCVEGCSA-N -1 3 368.327 3.291 20 30 FGEDHM Cc1ccc(CC2CN(C(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)C2)cc1 ZINC000598234769 507335187 /nfs/dbraw/zinc/33/51/87/507335187.db2.gz MYTJTJOQZCCOPC-UHFFFAOYSA-N -1 3 363.461 3.218 20 30 FGEDHM Cc1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c([O-])c1C ZINC000598245387 507340467 /nfs/dbraw/zinc/34/04/67/507340467.db2.gz GRSAWYAASYOQGF-UHFFFAOYSA-N -1 3 350.418 3.316 20 30 FGEDHM N#Cc1cccc(C2(NC(=O)c3cc([O-])ccc3Cl)CCOCC2)c1 ZINC000598245909 507341102 /nfs/dbraw/zinc/34/11/02/507341102.db2.gz KLDWRIVIZZIGHT-UHFFFAOYSA-N -1 3 356.809 3.353 20 30 FGEDHM CC(C)(CCC#N)C[N-]S(=O)(=O)c1cscc1Br ZINC000601416928 507360254 /nfs/dbraw/zinc/36/02/54/507360254.db2.gz DOKCKCPHZNKSSI-UHFFFAOYSA-N -1 3 351.291 3.119 20 30 FGEDHM CC(C)[C@H](O)[C@@H]([N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1 ZINC000595352323 507467791 /nfs/dbraw/zinc/46/77/91/507467791.db2.gz CAMQKCJAEJLLLE-ROUUACIJSA-N -1 3 364.511 3.138 20 30 FGEDHM N#Cc1ccc(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)c(C(F)(F)F)c1 ZINC000595477403 507519013 /nfs/dbraw/zinc/51/90/13/507519013.db2.gz XJQZCRDAXFQSLT-GFCCVEGCSA-N -1 3 352.316 3.045 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](C(F)(F)F)CC[C@@H]1C ZINC000611549076 507732145 /nfs/dbraw/zinc/73/21/45/507732145.db2.gz LWJRSTNUMUTXEC-GXFFZTMASA-N -1 3 369.387 3.398 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](C)c1cccc(C)c1 ZINC000735419571 598830748 /nfs/dbraw/zinc/83/07/48/598830748.db2.gz WDDHTZSHBBUXFI-INIZCTEOSA-N -1 3 361.449 3.493 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](C)c1cccc(C)c1 ZINC000735419571 598830749 /nfs/dbraw/zinc/83/07/49/598830749.db2.gz WDDHTZSHBBUXFI-INIZCTEOSA-N -1 3 361.449 3.493 20 30 FGEDHM CC(C)c1ccc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000735923565 598913417 /nfs/dbraw/zinc/91/34/17/598913417.db2.gz MUDBRDKKJFXNDP-UHFFFAOYSA-N -1 3 360.421 3.433 20 30 FGEDHM CC(C)c1ccc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000735923565 598913418 /nfs/dbraw/zinc/91/34/18/598913418.db2.gz MUDBRDKKJFXNDP-UHFFFAOYSA-N -1 3 360.421 3.433 20 30 FGEDHM N#Cc1cc(NC(=O)c2cc3c(cccc3F)s2)ccc1-c1nnn[n-]1 ZINC000737709843 598914605 /nfs/dbraw/zinc/91/46/05/598914605.db2.gz RAJYQJWFTRNYEC-UHFFFAOYSA-N -1 3 364.365 3.344 20 30 FGEDHM N#Cc1cc(NC(=O)c2cc3c(cccc3F)s2)ccc1-c1nn[n-]n1 ZINC000737709843 598914606 /nfs/dbraw/zinc/91/46/06/598914606.db2.gz RAJYQJWFTRNYEC-UHFFFAOYSA-N -1 3 364.365 3.344 20 30 FGEDHM CSc1ccc(Cl)c(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000737189087 598920911 /nfs/dbraw/zinc/92/09/11/598920911.db2.gz DFRLCCKAQPYHFT-UHFFFAOYSA-N -1 3 370.825 3.366 20 30 FGEDHM CSc1ccc(Cl)c(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000737189087 598920912 /nfs/dbraw/zinc/92/09/12/598920912.db2.gz DFRLCCKAQPYHFT-UHFFFAOYSA-N -1 3 370.825 3.366 20 30 FGEDHM Cc1cc(C)c(C=CC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)cc1C ZINC000737246883 598921417 /nfs/dbraw/zinc/92/14/17/598921417.db2.gz PHKHHGCOUVYGNE-FNORWQNLSA-N -1 3 358.405 3.316 20 30 FGEDHM Cc1cc(C)c(C=CC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)cc1C ZINC000737246883 598921418 /nfs/dbraw/zinc/92/14/18/598921418.db2.gz PHKHHGCOUVYGNE-FNORWQNLSA-N -1 3 358.405 3.316 20 30 FGEDHM N#Cc1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1-c1nnn[n-]1 ZINC000737720022 598921765 /nfs/dbraw/zinc/92/17/65/598921765.db2.gz XZMNOAGNGJXBKO-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM N#Cc1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1-c1nn[n-]n1 ZINC000737720022 598921767 /nfs/dbraw/zinc/92/17/67/598921767.db2.gz XZMNOAGNGJXBKO-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM C[C@H]1CC(=NNCc2ccc(-c3nnn[n-]3)cc2)c2ccsc2S1 ZINC000822005016 607254590 /nfs/dbraw/zinc/25/45/90/607254590.db2.gz NEOIWNCUJLYLPF-JTQLQIEISA-N -1 3 356.480 3.306 20 30 FGEDHM C[C@H]1CC(=NNCc2ccc(-c3nn[n-]n3)cc2)c2ccsc2S1 ZINC000822005016 607254591 /nfs/dbraw/zinc/25/45/91/607254591.db2.gz NEOIWNCUJLYLPF-JTQLQIEISA-N -1 3 356.480 3.306 20 30 FGEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Br)c1 ZINC000819773508 607254692 /nfs/dbraw/zinc/25/46/92/607254692.db2.gz SFPCRGLZGKIAQY-UHFFFAOYSA-N -1 3 371.242 3.143 20 30 FGEDHM CC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Br)c1 ZINC000819773508 607254693 /nfs/dbraw/zinc/25/46/93/607254693.db2.gz SFPCRGLZGKIAQY-UHFFFAOYSA-N -1 3 371.242 3.143 20 30 FGEDHM COc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1OC ZINC000821786544 599113834 /nfs/dbraw/zinc/11/38/34/599113834.db2.gz FKFBAYSUVJTIOJ-NTEUORMPSA-N -1 3 362.389 3.096 20 30 FGEDHM COc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1OC ZINC000821786544 599113837 /nfs/dbraw/zinc/11/38/37/599113837.db2.gz FKFBAYSUVJTIOJ-NTEUORMPSA-N -1 3 362.389 3.096 20 30 FGEDHM O=C1C(=Cc2ccc(-n3cccn3)cc2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000823503517 599114313 /nfs/dbraw/zinc/11/43/13/599114313.db2.gz GCTIIRKELOXDRX-FOWTUZBSSA-N -1 3 368.400 3.265 20 30 FGEDHM O=C1C(=Cc2ccc(-n3cccn3)cc2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000823503517 599114316 /nfs/dbraw/zinc/11/43/16/599114316.db2.gz GCTIIRKELOXDRX-FOWTUZBSSA-N -1 3 368.400 3.265 20 30 FGEDHM FC(F)(F)c1cc(NN=Cc2c[nH]c3ncccc23)ccc1-c1nnn[n-]1 ZINC000737632697 599129064 /nfs/dbraw/zinc/12/90/64/599129064.db2.gz MKDKBUFBZCSRGL-UHFFFAOYSA-N -1 3 372.314 3.208 20 30 FGEDHM FC(F)(F)c1cc(NN=Cc2c[nH]c3ncccc23)ccc1-c1nn[n-]n1 ZINC000737632697 599129065 /nfs/dbraw/zinc/12/90/65/599129065.db2.gz MKDKBUFBZCSRGL-UHFFFAOYSA-N -1 3 372.314 3.208 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C)cc(F)c1 ZINC000819745525 599145192 /nfs/dbraw/zinc/14/51/92/599145192.db2.gz HOGBUJOKZSVISU-UHFFFAOYSA-N -1 3 351.385 3.143 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C)cc(F)c1 ZINC000819745525 599145195 /nfs/dbraw/zinc/14/51/95/599145195.db2.gz HOGBUJOKZSVISU-UHFFFAOYSA-N -1 3 351.385 3.143 20 30 FGEDHM Cc1c(C(=O)C=Cc2cccc(F)c2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737203247 599157725 /nfs/dbraw/zinc/15/77/25/599157725.db2.gz SSQRPOFAGIRDGV-YHYXMXQVSA-N -1 3 374.379 3.396 20 30 FGEDHM N#Cc1cccc(-c2nnc(CSc3ccc(-c4nnn[n-]4)cc3)o2)c1 ZINC000737722387 599165062 /nfs/dbraw/zinc/16/50/62/599165062.db2.gz IPBHZRCEFXCGBJ-UHFFFAOYSA-N -1 3 361.390 3.081 20 30 FGEDHM N#Cc1cccc(-c2nnc(CSc3ccc(-c4nn[n-]n4)cc3)o2)c1 ZINC000737722387 599165064 /nfs/dbraw/zinc/16/50/64/599165064.db2.gz IPBHZRCEFXCGBJ-UHFFFAOYSA-N -1 3 361.390 3.081 20 30 FGEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2N(C)Cc1cccc(C#N)c1 ZINC000737407567 599270205 /nfs/dbraw/zinc/27/02/05/599270205.db2.gz CSJNCLOOPUUOGS-UHFFFAOYSA-N -1 3 355.405 3.231 20 30 FGEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2N(C)Cc1cccc(C#N)c1 ZINC000737407567 599270207 /nfs/dbraw/zinc/27/02/07/599270207.db2.gz CSJNCLOOPUUOGS-UHFFFAOYSA-N -1 3 355.405 3.231 20 30 FGEDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2N(C)Cc1cccc(C#N)c1 ZINC000737261857 599270704 /nfs/dbraw/zinc/27/07/04/599270704.db2.gz BFZMQAXPAYRUME-UHFFFAOYSA-N -1 3 373.395 3.371 20 30 FGEDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2N(C)Cc1cccc(C#N)c1 ZINC000737261857 599270706 /nfs/dbraw/zinc/27/07/06/599270706.db2.gz BFZMQAXPAYRUME-UHFFFAOYSA-N -1 3 373.395 3.371 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(Cl)cc2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737202451 598378255 /nfs/dbraw/zinc/37/82/55/598378255.db2.gz MRPZXKSMJRLLKB-RMKNXTFCSA-N -1 3 353.813 3.472 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(Cl)cc2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737202451 598378258 /nfs/dbraw/zinc/37/82/58/598378258.db2.gz MRPZXKSMJRLLKB-RMKNXTFCSA-N -1 3 353.813 3.472 20 30 FGEDHM CCc1c(C)sc(NC(=O)CCc2ccc(C#N)cc2)c1-c1nnn[n-]1 ZINC000736669772 598516964 /nfs/dbraw/zinc/51/69/64/598516964.db2.gz KFCZXNAZVFXWDF-UHFFFAOYSA-N -1 3 366.450 3.242 20 30 FGEDHM CCc1c(C)sc(NC(=O)CCc2ccc(C#N)cc2)c1-c1nn[n-]n1 ZINC000736669772 598516966 /nfs/dbraw/zinc/51/69/66/598516966.db2.gz KFCZXNAZVFXWDF-UHFFFAOYSA-N -1 3 366.450 3.242 20 30 FGEDHM N#Cc1cc(NC(=S)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)ccc1F ZINC000737710454 598582581 /nfs/dbraw/zinc/58/25/81/598582581.db2.gz UTAHUEIAJHVGJC-UHFFFAOYSA-N -1 3 373.804 3.340 20 30 FGEDHM N#Cc1cc(NC(=S)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)ccc1F ZINC000737710454 598582582 /nfs/dbraw/zinc/58/25/82/598582582.db2.gz UTAHUEIAJHVGJC-UHFFFAOYSA-N -1 3 373.804 3.340 20 30 FGEDHM Cc1c(C(=O)C=Cc2cccc(F)c2F)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737203331 598639799 /nfs/dbraw/zinc/63/97/99/598639799.db2.gz SYQZLBAWNGGDCJ-FPLPWBNLSA-N -1 3 355.348 3.097 20 30 FGEDHM Cc1c(C(=O)C=Cc2cccc(F)c2F)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737203331 598639801 /nfs/dbraw/zinc/63/98/01/598639801.db2.gz SYQZLBAWNGGDCJ-FPLPWBNLSA-N -1 3 355.348 3.097 20 30 FGEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nnn[n-]2)CCC3)cc1C ZINC000737080446 598640961 /nfs/dbraw/zinc/64/09/61/598640961.db2.gz AVEZRSCCRXNALC-SOFGYWHQSA-N -1 3 363.421 3.136 20 30 FGEDHM COc1ccc(C=CC(=O)c2c(C)n3c(c2-c2nn[n-]n2)CCC3)cc1C ZINC000737080446 598640963 /nfs/dbraw/zinc/64/09/63/598640963.db2.gz AVEZRSCCRXNALC-SOFGYWHQSA-N -1 3 363.421 3.136 20 30 FGEDHM C=CCN(CC1CCCCC1)C(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000735416980 598752845 /nfs/dbraw/zinc/75/28/45/598752845.db2.gz VTINLDKAAUZJTB-OUKQBFOZSA-N -1 3 351.454 3.475 20 30 FGEDHM C=CCN(CC1CCCCC1)C(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000735416980 598752847 /nfs/dbraw/zinc/75/28/47/598752847.db2.gz VTINLDKAAUZJTB-OUKQBFOZSA-N -1 3 351.454 3.475 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(SC)o1 ZINC000735420138 598762515 /nfs/dbraw/zinc/76/25/15/598762515.db2.gz MQUFCFBNOQAWEK-UHFFFAOYSA-N -1 3 355.423 3.010 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(SC)o1 ZINC000735420138 598762516 /nfs/dbraw/zinc/76/25/16/598762516.db2.gz MQUFCFBNOQAWEK-UHFFFAOYSA-N -1 3 355.423 3.010 20 30 FGEDHM C=CCC[C@@H](NC(=O)NCc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000819735031 607388718 /nfs/dbraw/zinc/38/87/18/607388718.db2.gz YZZCJAYATPNIKL-GOSISDBHSA-N -1 3 362.437 3.373 20 30 FGEDHM C=CCC[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000819735031 607388720 /nfs/dbraw/zinc/38/87/20/607388720.db2.gz YZZCJAYATPNIKL-GOSISDBHSA-N -1 3 362.437 3.373 20 30 FGEDHM Cc1ccsc1CCCC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000826316304 607432919 /nfs/dbraw/zinc/43/29/19/607432919.db2.gz JXGCUHQVRQXQTM-UHFFFAOYSA-N -1 3 352.423 3.070 20 30 FGEDHM Cc1ccsc1CCCC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000826316304 607432921 /nfs/dbraw/zinc/43/29/21/607432921.db2.gz JXGCUHQVRQXQTM-UHFFFAOYSA-N -1 3 352.423 3.070 20 30 FGEDHM CN(C(=O)OC(C)(C)C)[C@@H]1CCCN([C@H](C(=O)[O-])c2ccc(C#N)cc2)C1 ZINC000737336766 600567233 /nfs/dbraw/zinc/56/72/33/600567233.db2.gz SQNLLYHUUBPVBQ-SJORKVTESA-N -1 3 373.453 3.015 20 30 FGEDHM COc1cc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)ccc1OC(F)F ZINC000737887743 600590965 /nfs/dbraw/zinc/59/09/65/600590965.db2.gz ZULJFTHGZHWTCD-INIZCTEOSA-N -1 3 362.332 3.084 20 30 FGEDHM CC[C@@H](C)C(=O)Nc1cccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)c1 ZINC000736871310 600594793 /nfs/dbraw/zinc/59/47/93/600594793.db2.gz RFYPEAHJXHXLHA-KUHUBIRLSA-N -1 3 365.433 3.458 20 30 FGEDHM C[C@H](CSCC(=O)C(C#N)c1nc(-c2ccccc2)cs1)C(=O)[O-] ZINC000736616862 600599209 /nfs/dbraw/zinc/59/92/09/600599209.db2.gz MVAKYVZDBCLYHT-DGCLKSJQSA-N -1 3 360.460 3.440 20 30 FGEDHM N#Cc1cccc([C@@H](NCc2ccc(Br)s2)C(=O)[O-])c1 ZINC000833076226 601299951 /nfs/dbraw/zinc/29/99/51/601299951.db2.gz SAKFTPSUDZCCPU-CYBMUJFWSA-N -1 3 351.225 3.298 20 30 FGEDHM COc1ccc(CN[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC(F)F ZINC000832340251 601300915 /nfs/dbraw/zinc/30/09/15/601300915.db2.gz BRCCANCXRDEXOH-INIZCTEOSA-N -1 3 362.332 3.084 20 30 FGEDHM CN(CCOc1ccccc1C#N)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830794991 601903214 /nfs/dbraw/zinc/90/32/14/601903214.db2.gz DSDUNSOVDRDAHF-QGZVFWFLSA-N -1 3 364.323 3.112 20 30 FGEDHM N#Cc1cc(CSCc2ccc(-c3nnn[n-]3)cc2OC(F)F)ccn1 ZINC000826383499 607536201 /nfs/dbraw/zinc/53/62/01/607536201.db2.gz DGKXIPKEQMAPEN-UHFFFAOYSA-N -1 3 374.376 3.168 20 30 FGEDHM N#Cc1cc(CSCc2ccc(-c3nn[n-]n3)cc2OC(F)F)ccn1 ZINC000826383499 607536203 /nfs/dbraw/zinc/53/62/03/607536203.db2.gz DGKXIPKEQMAPEN-UHFFFAOYSA-N -1 3 374.376 3.168 20 30 FGEDHM N#CC(C(=O)CC[C@H](NC(=O)[O-])c1ccccc1)C(=O)Nc1ccccc1 ZINC000740302769 602670170 /nfs/dbraw/zinc/67/01/70/602670170.db2.gz DCKUENMOMSLZGY-IRXDYDNUSA-N -1 3 365.389 3.123 20 30 FGEDHM COc1ccc(-c2nn[n-]n2)cc1CN1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000826183088 607637730 /nfs/dbraw/zinc/63/77/30/607637730.db2.gz CWTAUQTVNANEEH-RBUKOAKNSA-N -1 3 374.448 3.147 20 30 FGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000822924051 606387829 /nfs/dbraw/zinc/38/78/29/606387829.db2.gz WCUAMFDTYZQCBT-DJWKRKHSSA-N -1 3 361.770 3.386 20 30 FGEDHM C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)C1CC1 ZINC000819855781 606394347 /nfs/dbraw/zinc/39/43/47/606394347.db2.gz FOVYLJVMVOIXMD-HZMBPMFUSA-N -1 3 364.434 3.213 20 30 FGEDHM C[C@H](C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)C1CC1 ZINC000819855781 606394348 /nfs/dbraw/zinc/39/43/48/606394348.db2.gz FOVYLJVMVOIXMD-HZMBPMFUSA-N -1 3 364.434 3.213 20 30 FGEDHM C[C@H]1CCc2c(sc(NC(=O)c3ccc(C#N)s3)c2-c2nnn[n-]2)C1 ZINC000820734058 606488615 /nfs/dbraw/zinc/48/86/15/606488615.db2.gz KUWMSQZTWOOPEA-QMMMGPOBSA-N -1 3 370.463 3.238 20 30 FGEDHM C[C@H]1CCc2c(sc(NC(=O)c3ccc(C#N)s3)c2-c2nn[n-]n2)C1 ZINC000820734058 606488616 /nfs/dbraw/zinc/48/86/16/606488616.db2.gz KUWMSQZTWOOPEA-QMMMGPOBSA-N -1 3 370.463 3.238 20 30 FGEDHM C=C(C)COc1cccc(NC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)c1 ZINC000819722778 606676672 /nfs/dbraw/zinc/67/66/72/606676672.db2.gz QRJXUSLOMTXGAU-UHFFFAOYSA-N -1 3 371.347 3.352 20 30 FGEDHM C=C(C)COc1cccc(NC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)c1 ZINC000819722778 606676673 /nfs/dbraw/zinc/67/66/73/606676673.db2.gz QRJXUSLOMTXGAU-UHFFFAOYSA-N -1 3 371.347 3.352 20 30 FGEDHM C=C[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819730297 606835276 /nfs/dbraw/zinc/83/52/76/606835276.db2.gz VLIIVRPSSKPTDS-NSHDSACASA-N -1 3 368.372 3.494 20 30 FGEDHM C=C[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819730297 606835278 /nfs/dbraw/zinc/83/52/78/606835278.db2.gz VLIIVRPSSKPTDS-NSHDSACASA-N -1 3 368.372 3.494 20 30 FGEDHM N#Cc1cccc(OCCCSc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822836942 606869455 /nfs/dbraw/zinc/86/94/55/606869455.db2.gz BGNJNALWQZKIDI-UHFFFAOYSA-N -1 3 355.398 3.439 20 30 FGEDHM N#Cc1cccc(OCCCSc2ccc(-c3nn[n-]n3)cc2F)c1 ZINC000822836942 606869456 /nfs/dbraw/zinc/86/94/56/606869456.db2.gz BGNJNALWQZKIDI-UHFFFAOYSA-N -1 3 355.398 3.439 20 30 FGEDHM N#Cc1cc2c(nc1SCc1ccc(F)c(-c3nnn[n-]3)c1)CCCC2 ZINC000822822676 607007439 /nfs/dbraw/zinc/00/74/39/607007439.db2.gz BADKHKGBQNORKH-UHFFFAOYSA-N -1 3 366.425 3.444 20 30 FGEDHM N#Cc1cc2c(nc1SCc1ccc(F)c(-c3nn[n-]n3)c1)CCCC2 ZINC000822822676 607007440 /nfs/dbraw/zinc/00/74/40/607007440.db2.gz BADKHKGBQNORKH-UHFFFAOYSA-N -1 3 366.425 3.444 20 30 FGEDHM FC(F)(F)c1cccnc1N=NCc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000822728700 607147918 /nfs/dbraw/zinc/14/79/18/607147918.db2.gz JYSYDUSXWHTHSS-UHFFFAOYSA-N -1 3 372.314 3.208 20 30 FGEDHM FC(F)(F)c1cccnc1N=NCc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000822728700 607147920 /nfs/dbraw/zinc/14/79/20/607147920.db2.gz JYSYDUSXWHTHSS-UHFFFAOYSA-N -1 3 372.314 3.208 20 30 FGEDHM C[C@H](CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(F)cc1F ZINC000824385577 607785185 /nfs/dbraw/zinc/78/51/85/607785185.db2.gz WYXGEVSCHRXIKP-SNVBAGLBSA-N -1 3 368.347 3.149 20 30 FGEDHM C[C@H](CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(F)cc1F ZINC000824385577 607785186 /nfs/dbraw/zinc/78/51/86/607785186.db2.gz WYXGEVSCHRXIKP-SNVBAGLBSA-N -1 3 368.347 3.149 20 30 FGEDHM C=C[C@@H](CC(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000823883721 607980917 /nfs/dbraw/zinc/98/09/17/607980917.db2.gz YZIHEPOCVHWVFN-ZDUSSCGKSA-N -1 3 352.369 3.409 20 30 FGEDHM C=C[C@@H](CC(=O)OCc1ccc(-c2nn[n-]n2)cc1F)c1ccccc1 ZINC000823883721 607980918 /nfs/dbraw/zinc/98/09/18/607980918.db2.gz YZIHEPOCVHWVFN-ZDUSSCGKSA-N -1 3 352.369 3.409 20 30 FGEDHM CC(=Cc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000823942991 608004480 /nfs/dbraw/zinc/00/44/80/608004480.db2.gz MEIYLGSTVPIAGP-XFFZJAGNSA-N -1 3 364.796 3.434 20 30 FGEDHM CC(=Cc1cccc(Cl)c1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000823942991 608004481 /nfs/dbraw/zinc/00/44/81/608004481.db2.gz MEIYLGSTVPIAGP-XFFZJAGNSA-N -1 3 364.796 3.434 20 30 FGEDHM O=C1C(=Cc2ccn(-c3ccccc3)n2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000826477113 608288842 /nfs/dbraw/zinc/28/88/42/608288842.db2.gz VVZXTLZUFWAVNX-FYWRMAATSA-N -1 3 368.400 3.265 20 30 FGEDHM O=C1C(=Cc2ccn(-c3ccccc3)n2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000826477113 608288843 /nfs/dbraw/zinc/28/88/43/608288843.db2.gz VVZXTLZUFWAVNX-FYWRMAATSA-N -1 3 368.400 3.265 20 30 FGEDHM CC1CC(C#N)(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1 ZINC000824864581 608329277 /nfs/dbraw/zinc/32/92/77/608329277.db2.gz CONDFYXEIOFWGE-UHFFFAOYSA-N -1 3 372.432 3.090 20 30 FGEDHM CC1CC(C#N)(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1 ZINC000824864581 608329278 /nfs/dbraw/zinc/32/92/78/608329278.db2.gz CONDFYXEIOFWGE-UHFFFAOYSA-N -1 3 372.432 3.090 20 30 FGEDHM Cc1ccc2[nH]cc(CN=Nc3cc(-c4nnn[n-]4)cc(Cl)n3)c2c1 ZINC000826293373 608535876 /nfs/dbraw/zinc/53/58/76/608535876.db2.gz MWGFMCABPCVQJL-UHFFFAOYSA-N -1 3 352.789 3.151 20 30 FGEDHM Cc1ccc2[nH]cc(CN=Nc3cc(-c4nn[n-]n4)cc(Cl)n3)c2c1 ZINC000826293373 608535877 /nfs/dbraw/zinc/53/58/77/608535877.db2.gz MWGFMCABPCVQJL-UHFFFAOYSA-N -1 3 352.789 3.151 20 30 FGEDHM Cc1cc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c(C)n1C1CC1 ZINC000826266193 608535951 /nfs/dbraw/zinc/53/59/51/608535951.db2.gz GGBKROQKHXUNSO-UHFFFAOYSA-N -1 3 356.821 3.114 20 30 FGEDHM Cc1cc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c(C)n1C1CC1 ZINC000826266193 608535953 /nfs/dbraw/zinc/53/59/53/608535953.db2.gz GGBKROQKHXUNSO-UHFFFAOYSA-N -1 3 356.821 3.114 20 30 FGEDHM CC(C)CN(C(=O)Cc1ccccc1CC#N)c1ccc(-c2nnn[n-]2)cc1 ZINC000824248945 609161825 /nfs/dbraw/zinc/16/18/25/609161825.db2.gz FAFXSQYANLAJII-UHFFFAOYSA-N -1 3 374.448 3.164 20 30 FGEDHM CC(C)CN(C(=O)Cc1ccccc1CC#N)c1ccc(-c2nn[n-]n2)cc1 ZINC000824248945 609161826 /nfs/dbraw/zinc/16/18/26/609161826.db2.gz FAFXSQYANLAJII-UHFFFAOYSA-N -1 3 374.448 3.164 20 30 FGEDHM C=CCC[C@@H](CCC)Nc1ccc(N2CCC(O)CC2)c(-c2nnn[n-]2)c1 ZINC000823894346 609241766 /nfs/dbraw/zinc/24/17/66/609241766.db2.gz NRJRMKHTHMLYTL-OAHLLOKOSA-N -1 3 370.501 3.375 20 30 FGEDHM C=CCC[C@@H](CCC)Nc1ccc(N2CCC(O)CC2)c(-c2nn[n-]n2)c1 ZINC000823894346 609241768 /nfs/dbraw/zinc/24/17/68/609241768.db2.gz NRJRMKHTHMLYTL-OAHLLOKOSA-N -1 3 370.501 3.375 20 30 FGEDHM O=C(C=CC=Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC000826399822 609270479 /nfs/dbraw/zinc/27/04/79/609270479.db2.gz HARHEBCCUNRTJZ-VKDZAETISA-N -1 3 365.324 3.366 20 30 FGEDHM O=C(C=CC=Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1F ZINC000826399822 609270480 /nfs/dbraw/zinc/27/04/80/609270480.db2.gz HARHEBCCUNRTJZ-VKDZAETISA-N -1 3 365.324 3.366 20 30 FGEDHM O=C(C=Cc1cn2cc(Cl)ccc2n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826402875 609272850 /nfs/dbraw/zinc/27/28/50/609272850.db2.gz DZYBAGFCADIWGD-HYXAFXHYSA-N -1 3 368.759 3.203 20 30 FGEDHM O=C(C=Cc1cn2cc(Cl)ccc2n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826402875 609272852 /nfs/dbraw/zinc/27/28/52/609272852.db2.gz DZYBAGFCADIWGD-HYXAFXHYSA-N -1 3 368.759 3.203 20 30 FGEDHM O=C(C=Cc1cnc(-c2ccccc2)nc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403647 609273127 /nfs/dbraw/zinc/27/31/27/609273127.db2.gz YERAGQQZCIZSOB-RMKNXTFCSA-N -1 3 372.363 3.359 20 30 FGEDHM O=C(C=Cc1cnc(-c2ccccc2)nc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403647 609273129 /nfs/dbraw/zinc/27/31/29/609273129.db2.gz YERAGQQZCIZSOB-RMKNXTFCSA-N -1 3 372.363 3.359 20 30 FGEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1Oc1ccccc1-c1nnn[n-]1 ZINC000826380574 609386801 /nfs/dbraw/zinc/38/68/01/609386801.db2.gz FPYSZVCEXKKIRS-XJKSGUPXSA-N -1 3 374.404 3.081 20 30 FGEDHM N#C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1Oc1ccccc1-c1nn[n-]n1 ZINC000826380574 609386803 /nfs/dbraw/zinc/38/68/03/609386803.db2.gz FPYSZVCEXKKIRS-XJKSGUPXSA-N -1 3 374.404 3.081 20 30 FGEDHM CC(=O)Nc1ccc(C(C)=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)cc1 ZINC000823999498 609473214 /nfs/dbraw/zinc/47/32/14/609473214.db2.gz CZNRGPBOBDOVLF-UHFFFAOYSA-N -1 3 369.816 3.315 20 30 FGEDHM C#CCCCCCC(=O)Oc1c(Cl)cc(-c2nnn[n-]2)cc1OCC ZINC000823841645 609511650 /nfs/dbraw/zinc/51/16/50/609511650.db2.gz RJUHRESHMXRWJD-UHFFFAOYSA-N -1 3 362.817 3.408 20 30 FGEDHM C#CCCCCCC(=O)Oc1c(Cl)cc(-c2nn[n-]n2)cc1OCC ZINC000823841645 609511651 /nfs/dbraw/zinc/51/16/51/609511651.db2.gz RJUHRESHMXRWJD-UHFFFAOYSA-N -1 3 362.817 3.408 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1c(F)cccc1Cl ZINC000007673777 695574743 /nfs/dbraw/zinc/57/47/43/695574743.db2.gz LFRQJPITPLKSHC-UHFFFAOYSA-N -1 3 362.788 3.332 20 30 FGEDHM N#CCCN(C(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1)c1ccccc1 ZINC000011808779 695602283 /nfs/dbraw/zinc/60/22/83/695602283.db2.gz GBELTZJKJMFANH-UHFFFAOYSA-N -1 3 366.204 3.425 20 30 FGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)C2CCCCCC2)ccc1F ZINC000045341732 695819921 /nfs/dbraw/zinc/81/99/21/695819921.db2.gz VJJDZIDNZMQMQV-UHFFFAOYSA-N -1 3 368.474 3.085 20 30 FGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2cc3c(s2)CCOC3)cc1 ZINC000103330119 700483383 /nfs/dbraw/zinc/48/33/83/700483383.db2.gz CQDDWBJZQLTOFA-HNNXBMFYSA-N -1 3 354.431 3.344 20 30 FGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])c1ccc(C#N)c(Cl)c1 ZINC000123853221 700710781 /nfs/dbraw/zinc/71/07/81/700710781.db2.gz YJYXBMBCXNGQFQ-ZDUSSCGKSA-N -1 3 353.765 3.181 20 30 FGEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1ccc([N+](=O)[O-])cc1 ZINC000130101493 700796257 /nfs/dbraw/zinc/79/62/57/700796257.db2.gz RJNFWQSIWUYTII-LBPRGKRZSA-N -1 3 361.716 3.348 20 30 FGEDHM N#CC(C(=O)Nc1ccc(F)c(Cl)c1)=C([O-])c1cccc([N+](=O)[O-])c1 ZINC000130195735 700797749 /nfs/dbraw/zinc/79/77/49/700797749.db2.gz VQRBLOPMTQTZNB-LBPRGKRZSA-N -1 3 361.716 3.348 20 30 FGEDHM CCCCCCC[C@@]1(C)NC(=O)N([N-]C(=O)c2cscc2C)C1=O ZINC000174997289 705528242 /nfs/dbraw/zinc/52/82/42/705528242.db2.gz NZXKAIRNJHSCBD-QGZVFWFLSA-N -1 3 351.472 3.372 20 30 FGEDHM CS(=O)(=O)Nc1ccc(N=Cc2cc(Br)ccc2[O-])cc1 ZINC000255062801 713682643 /nfs/dbraw/zinc/68/26/43/713682643.db2.gz FUZWGLWTZLRGHX-UHFFFAOYSA-N -1 3 369.240 3.277 20 30 FGEDHM N#Cc1cncc(S(=O)(=O)[N-]c2ccc(Br)cc2Cl)c1 ZINC000312498528 713802585 /nfs/dbraw/zinc/80/25/85/713802585.db2.gz FRRZCQIZRBQNIW-UHFFFAOYSA-N -1 3 372.631 3.170 20 30 FGEDHM N#CCc1cccc(S(=O)(=O)[N-]c2cc(Br)ccc2F)c1 ZINC000619462802 714838912 /nfs/dbraw/zinc/83/89/12/714838912.db2.gz PQEORFCSCZDZIR-UHFFFAOYSA-N -1 3 369.215 3.455 20 30 FGEDHM Cc1oc(C#N)cc1C(=O)Nc1cc(I)ccc1[O-] ZINC000619552602 714851981 /nfs/dbraw/zinc/85/19/81/714851981.db2.gz QZFTUXVJLNZPPH-UHFFFAOYSA-N -1 3 368.130 3.022 20 30 FGEDHM C=CCn1c(=O)[n-]nc1SCC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779371898 724410300 /nfs/dbraw/zinc/41/03/00/724410300.db2.gz WASPORQEYLISED-ZDUSSCGKSA-N -1 3 368.503 3.299 20 30 FGEDHM O=S(=O)([N-]CCSC(F)(F)F)c1ccc(C(F)(F)F)cc1F ZINC000780705114 724493628 /nfs/dbraw/zinc/49/36/28/724493628.db2.gz SLXZAVXGAQECKR-UHFFFAOYSA-N -1 3 371.299 3.376 20 30 FGEDHM CC(C)(C)c1cnc(C(C#N)=C([O-])c2ccnn2C2CCOCC2)s1 ZINC000659114984 719859824 /nfs/dbraw/zinc/85/98/24/719859824.db2.gz KUZBZAOPFTZGOC-ZDUSSCGKSA-N -1 3 358.467 3.479 20 30 FGEDHM N#CC(=C([O-])c1cc(Br)cc(N2CCCC2)c1)c1ccncn1 ZINC000659115050 719859976 /nfs/dbraw/zinc/85/99/76/719859976.db2.gz OCIFBRQPNLOOHO-OAHLLOKOSA-N -1 3 371.238 3.329 20 30 FGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2C[C@H]2c2cccc(Br)c2)c1[O-] ZINC000726427728 722434016 /nfs/dbraw/zinc/43/40/16/722434016.db2.gz UYJOODTVCCIXPB-RCPPNLIZSA-N -1 3 361.239 3.325 20 30 FGEDHM C#Cc1ccc(C(=O)O[C@H](C)c2nc(=O)c3c(C)c(C)sc3[n-]2)nc1 ZINC000729006385 722456420 /nfs/dbraw/zinc/45/64/20/722456420.db2.gz DKUBMMXLEKMPDK-SNVBAGLBSA-N -1 3 353.403 3.308 20 30 FGEDHM Cc1ncc(CO)c(/C=N\CCc2ccc(Br)cc2F)c1[O-] ZINC000730950273 722472004 /nfs/dbraw/zinc/47/20/04/722472004.db2.gz CJQJUFYCTIJKNM-UWVJOHFNSA-N -1 3 367.218 3.151 20 30 FGEDHM Cc1[n-]ncc1S(=O)(=O)O[C@@H](Cc1ccc(Cl)cc1)C(F)(F)F ZINC000734153653 722504764 /nfs/dbraw/zinc/50/47/64/722504764.db2.gz MMCXBZVXZVXMIE-LBPRGKRZSA-N -1 3 368.764 3.250 20 30 FGEDHM O=C([N-][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1)C(F)(F)C(F)F ZINC000749392122 722727124 /nfs/dbraw/zinc/72/71/24/722727124.db2.gz RHNVELDSRZZQHH-NSHDSACASA-N -1 3 372.284 3.296 20 30 FGEDHM COc1cccc(C([O-])=C(C#N)C(=O)Nc2ccc(Cl)cc2Cl)n1 ZINC000752160519 722846759 /nfs/dbraw/zinc/84/67/59/722846759.db2.gz KICQLWLQWXNHDU-JTQLQIEISA-N -1 3 364.188 3.358 20 30 FGEDHM CC(=Nn1cc(Br)cn1)c1cc(Br)ccc1[O-] ZINC000752743163 722869432 /nfs/dbraw/zinc/86/94/32/722869432.db2.gz PBPOARZADQRLNG-UHFFFAOYSA-N -1 3 359.021 3.386 20 30 FGEDHM CCOc1nc2sccn2c1C=N[N-]c1oc(C(C)(C)C)nc1C#N ZINC000753921423 722918439 /nfs/dbraw/zinc/91/84/39/722918439.db2.gz IGYFBIZDPGHRPM-UHFFFAOYSA-N -1 3 358.427 3.398 20 30 FGEDHM C#CCCCC[N-]S(=O)(=O)c1cccc(Br)c1Cl ZINC000790224360 723114599 /nfs/dbraw/zinc/11/45/99/723114599.db2.gz PTTXGCCTDPNKIZ-UHFFFAOYSA-N -1 3 350.665 3.184 20 30 FGEDHM C=CC[N-]S(=O)(=O)c1cc(-c2nc([C@@H](C)CCC)no2)ccc1F ZINC000761851447 723190354 /nfs/dbraw/zinc/19/03/54/723190354.db2.gz FWZQSGXWXFZISC-NSHDSACASA-N -1 3 353.419 3.244 20 30 FGEDHM COc1ncc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)cc1Cl ZINC000793125365 723402199 /nfs/dbraw/zinc/40/21/99/723402199.db2.gz OZRHOCXPTNUSRW-JTQLQIEISA-N -1 3 364.188 3.358 20 30 FGEDHM C#C[C@@H]([N-]S(=O)(=O)c1cccnc1Cl)c1ccc(Cl)cc1F ZINC000796089300 723620247 /nfs/dbraw/zinc/62/02/47/723620247.db2.gz PSEUYTQZYLKDSC-GFCCVEGCSA-N -1 3 359.209 3.180 20 30 FGEDHM C=C(CC)COC(=O)c1c(Cl)ccc(S(=O)(=O)[N-]C)c1Cl ZINC000773521344 723795144 /nfs/dbraw/zinc/79/51/44/723795144.db2.gz FNSIZPXMUUJYAQ-UHFFFAOYSA-N -1 3 352.239 3.025 20 30 FGEDHM CS(=O)(=O)c1cccc(NN=Cc2cc(Br)ccc2[O-])c1 ZINC000776262607 724125875 /nfs/dbraw/zinc/12/58/75/724125875.db2.gz JUPCKIXBSVIFEL-UHFFFAOYSA-N -1 3 369.240 3.004 20 30 FGEDHM C#C[C@@H]([N-]S(=O)(=O)c1sc(C)cc1Br)C(C)(C)C ZINC000805148040 725053177 /nfs/dbraw/zinc/05/31/77/725053177.db2.gz RCCAZFWXZOWLDT-SNVBAGLBSA-N -1 3 350.303 3.145 20 30 FGEDHM Cc1cc(Cl)cc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000814822558 727003666 /nfs/dbraw/zinc/00/36/66/727003666.db2.gz RQLOTUOLVDXKMU-UHFFFAOYSA-N -1 3 367.814 3.010 20 30 FGEDHM CCOc1cc(/C=C\C(=O)c2cc(OC)no2)cc(Br)c1[O-] ZINC000821021327 729051219 /nfs/dbraw/zinc/05/12/19/729051219.db2.gz FELFIJJWXJIJGC-PLNGDYQASA-N -1 3 368.183 3.446 20 30 FGEDHM N#Cc1ccc(NC(=O)CSc2cccc(Cl)c2-c2nnn[n-]2)cc1 ZINC000826385713 729407839 /nfs/dbraw/zinc/40/78/39/729407839.db2.gz XTCUTZFMVWCEEQ-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1ccc(NC(=O)CSc2cccc(Cl)c2-c2nn[n-]n2)cc1 ZINC000826385713 729407841 /nfs/dbraw/zinc/40/78/41/729407841.db2.gz XTCUTZFMVWCEEQ-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM Cc1ccc(COC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)c(Cl)n1 ZINC000837391302 730024850 /nfs/dbraw/zinc/02/48/50/730024850.db2.gz OBDZHCLHIBESDW-UHFFFAOYSA-N -1 3 359.813 3.309 20 30 FGEDHM N#CC(C(=O)Nc1ccc(Cl)cc1Cl)=C([O-])c1cn2c(n1)CCC2 ZINC000842685573 730531204 /nfs/dbraw/zinc/53/12/04/730531204.db2.gz VQQXAUTWGITGAD-SNVBAGLBSA-N -1 3 363.204 3.097 20 30 FGEDHM C=C[C@H](C)O[N-]C(=O)Cc1cc(OCC)c(OCC)cc1Br ZINC000846544781 730962257 /nfs/dbraw/zinc/96/22/57/730962257.db2.gz YUXFKIFBXIIWOM-NSHDSACASA-N -1 3 372.259 3.411 20 30 FGEDHM CC(C)(C)C1N=NC(=S)N1N=Cc1c([O-])cccc1Br ZINC000863069384 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CCOc1c(Cl)cc(C/N=C\c2c([O-])c(C)ncc2CO)cc1OC ZINC000917559617 758238854 /nfs/dbraw/zinc/23/88/54/758238854.db2.gz RXIUFCXZAURIQA-UKWGHVSLSA-N -1 3 364.829 3.268 20 30 FGEDHM Cc1ncc(CO)c(/C=N\[C@@H]2CCc3cc(Br)ccc32)c1[O-] ZINC000920174475 758520893 /nfs/dbraw/zinc/52/08/93/758520893.db2.gz NGMAMMBEQLUJRR-RUIVNBNWSA-N -1 3 361.239 3.457 20 30 FGEDHM CCN(CC)c1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 ZINC000016598655 220187269 /nfs/dbraw/zinc/18/72/69/220187269.db2.gz CTMFNLPHGZMIMG-UHFFFAOYSA-N -1 3 366.465 3.281 20 30 FGEDHM C=CCNC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000029330566 493833798 /nfs/dbraw/zinc/83/37/98/493833798.db2.gz KNWYZHXEXLCLGW-UHFFFAOYSA-N -1 3 371.462 3.284 20 30 FGEDHM COc1ccc(CC(=O)Nc2n[n-]c(-c3ccccc3F)n2)cc1OC ZINC000076687211 493950199 /nfs/dbraw/zinc/95/01/99/493950199.db2.gz BRTKMEPMQFEGRI-UHFFFAOYSA-N -1 3 356.357 3.459 20 30 FGEDHM N#C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000061889688 493998276 /nfs/dbraw/zinc/99/82/76/493998276.db2.gz 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CZHOEUMGIKARDM-YBEGLDIGSA-N -1 3 368.400 3.265 20 30 FGEDHM CCOc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000736636444 599152180 /nfs/dbraw/zinc/15/21/80/599152180.db2.gz JDNKWQWQQSZMGK-WMZJFQQLSA-N -1 3 350.378 3.170 20 30 FGEDHM CCOc1ccc(C(=O)C=Cc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000736636444 599152181 /nfs/dbraw/zinc/15/21/81/599152181.db2.gz JDNKWQWQQSZMGK-WMZJFQQLSA-N -1 3 350.378 3.170 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(F)cc2)cnn1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737204314 599157675 /nfs/dbraw/zinc/15/76/75/599157675.db2.gz ZICXPGJZZTUZFC-NYYWCZLTSA-N -1 3 374.379 3.396 20 30 FGEDHM COc1cc(C#N)ccc1OCCSc1ccc(-c2nnn[n-]2)cc1F ZINC000737035860 599171170 /nfs/dbraw/zinc/17/11/70/599171170.db2.gz XCLFPOONFDDFPH-UHFFFAOYSA-N -1 3 371.397 3.057 20 30 FGEDHM COc1cc(C#N)ccc1OCCSc1ccc(-c2nn[n-]n2)cc1F ZINC000737035860 599171173 /nfs/dbraw/zinc/17/11/73/599171173.db2.gz XCLFPOONFDDFPH-UHFFFAOYSA-N -1 3 371.397 3.057 20 30 FGEDHM C[C@@H](C#N)OC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 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3.394 20 30 FGEDHM CN(Cc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000736822743 598275216 /nfs/dbraw/zinc/27/52/16/598275216.db2.gz SPIIKUVFWXETQU-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM C[C@@H](OC(=O)c1cc2ccccc2n1CC#N)c1cccc(-c2nnn[n-]2)c1 ZINC000736157857 598331360 /nfs/dbraw/zinc/33/13/60/598331360.db2.gz CZZVUTHIBPFDCM-CYBMUJFWSA-N -1 3 372.388 3.263 20 30 FGEDHM C[C@@H](OC(=O)c1cc2ccccc2n1CC#N)c1cccc(-c2nn[n-]n2)c1 ZINC000736157857 598331361 /nfs/dbraw/zinc/33/13/61/598331361.db2.gz CZZVUTHIBPFDCM-CYBMUJFWSA-N -1 3 372.388 3.263 20 30 FGEDHM Cc1c2c(nc(SCc3ccc(F)cc3C#N)c1-c1nnn[n-]1)CCC2 ZINC000737218966 598644478 /nfs/dbraw/zinc/64/44/78/598644478.db2.gz NXAIWWWGWFIYFT-UHFFFAOYSA-N -1 3 366.425 3.362 20 30 FGEDHM Cc1c2c(nc(SCc3ccc(F)cc3C#N)c1-c1nn[n-]n1)CCC2 ZINC000737218966 598644480 /nfs/dbraw/zinc/64/44/80/598644480.db2.gz NXAIWWWGWFIYFT-UHFFFAOYSA-N -1 3 366.425 3.362 20 30 FGEDHM C#Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nnn[n-]2)nc1 ZINC000735389510 598735604 /nfs/dbraw/zinc/73/56/04/598735604.db2.gz CICIYZILSXJXNB-UHFFFAOYSA-N -1 3 372.413 3.224 20 30 FGEDHM C#Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2-c2nn[n-]n2)nc1 ZINC000735389510 598735605 /nfs/dbraw/zinc/73/56/05/598735605.db2.gz CICIYZILSXJXNB-UHFFFAOYSA-N -1 3 372.413 3.224 20 30 FGEDHM COc1ccc(OC(F)F)c(C=CC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737108351 598789209 /nfs/dbraw/zinc/78/92/09/598789209.db2.gz KWNQMVSSYNKERH-ALCCZGGFSA-N -1 3 372.331 3.373 20 30 FGEDHM COc1ccc(OC(F)F)c(C=CC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737108351 598789210 /nfs/dbraw/zinc/78/92/10/598789210.db2.gz KWNQMVSSYNKERH-ALCCZGGFSA-N -1 3 372.331 3.373 20 30 FGEDHM CCCc1ccc(C(=O)C=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1 ZINC000736497539 599460461 /nfs/dbraw/zinc/46/04/61/599460461.db2.gz SEZREQANEIGOOG-KTKRTIGZSA-N -1 3 358.405 3.363 20 30 FGEDHM CCCc1ccc(C(=O)C=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cc1 ZINC000736497539 599460463 /nfs/dbraw/zinc/46/04/63/599460463.db2.gz SEZREQANEIGOOG-KTKRTIGZSA-N -1 3 358.405 3.363 20 30 FGEDHM CC[C@H](Sc1nc(N)c(C#N)cc1-c1nnn[n-]1)c1ccc(F)cc1F ZINC000736393530 599518539 /nfs/dbraw/zinc/51/85/39/599518539.db2.gz ZHEAISBETGULJZ-ZDUSSCGKSA-N -1 3 373.392 3.237 20 30 FGEDHM CC[C@H](Sc1nc(N)c(C#N)cc1-c1nn[n-]n1)c1ccc(F)cc1F ZINC000736393530 599518541 /nfs/dbraw/zinc/51/85/41/599518541.db2.gz ZHEAISBETGULJZ-ZDUSSCGKSA-N -1 3 373.392 3.237 20 30 FGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1)c1c(Cl)nc2ccccn21 ZINC000737798803 599537615 /nfs/dbraw/zinc/53/76/15/599537615.db2.gz VIIUZGIRXYGOAD-RMKNXTFCSA-N -1 3 350.769 3.064 20 30 FGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1)c1c(Cl)nc2ccccn21 ZINC000737798803 599537616 /nfs/dbraw/zinc/53/76/16/599537616.db2.gz VIIUZGIRXYGOAD-RMKNXTFCSA-N -1 3 350.769 3.064 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)CCSCC ZINC000819744061 599679532 /nfs/dbraw/zinc/67/95/32/599679532.db2.gz UWRRLYNSHGHATR-AWEZNQCLSA-N -1 3 374.514 3.096 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)CCSCC ZINC000819744061 599679533 /nfs/dbraw/zinc/67/95/33/599679533.db2.gz UWRRLYNSHGHATR-AWEZNQCLSA-N -1 3 374.514 3.096 20 30 FGEDHM N#Cc1ccc([C@@H](C(=O)[O-])N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000739105013 600572598 /nfs/dbraw/zinc/57/25/98/600572598.db2.gz IORGTFJGCVQMQW-MJGOQNOKSA-N -1 3 366.392 3.418 20 30 FGEDHM COc1cc([C@@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc(OC)c1OC ZINC000737868830 600593608 /nfs/dbraw/zinc/59/36/08/600593608.db2.gz RPPHNNKFZCHLDA-XIKOKIGWSA-N -1 3 370.405 3.061 20 30 FGEDHM COc1cc(C)c([C@@H](C)N[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737866544 600593672 /nfs/dbraw/zinc/59/36/72/600593672.db2.gz CJVCJEKCFIOFKN-YJYMSZOUSA-N -1 3 354.406 3.360 20 30 FGEDHM CC(C)(C)n1ncc2c1CCC[C@H]2N[C@@H](C(=O)[O-])c1ccc(C#N)cc1 ZINC000736309727 601100868 /nfs/dbraw/zinc/10/08/68/601100868.db2.gz HEDGCYAPAAIIJO-SJLPKXTDSA-N -1 3 352.438 3.303 20 30 FGEDHM Cc1sc(C(=O)[O-])cc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000833031092 601616640 /nfs/dbraw/zinc/61/66/40/601616640.db2.gz DUCOPVSMCUPYPC-UHFFFAOYSA-N -1 3 369.490 3.334 20 30 FGEDHM CCC(=CC(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1ccc(OC)cc1 ZINC000825029710 607587191 /nfs/dbraw/zinc/58/71/91/607587191.db2.gz YLSGZJXYKFZCNQ-QBFSEMIESA-N -1 3 374.404 3.179 20 30 FGEDHM CCC(=CC(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1ccc(OC)cc1 ZINC000825029710 607587192 /nfs/dbraw/zinc/58/71/92/607587192.db2.gz YLSGZJXYKFZCNQ-QBFSEMIESA-N -1 3 374.404 3.179 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cc(-c3ccccc3)ns2)cc1-c1nnn[n-]1 ZINC000826385642 607587885 /nfs/dbraw/zinc/58/78/85/607587885.db2.gz VKDLRTDPKXMUBN-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM N#Cc1ccc(NC(=O)c2cc(-c3ccccc3)ns2)cc1-c1nn[n-]n1 ZINC000826385642 607587886 /nfs/dbraw/zinc/58/78/86/607587886.db2.gz VKDLRTDPKXMUBN-UHFFFAOYSA-N -1 3 373.401 3.114 20 30 FGEDHM C=C(C)CN1CCC(NC(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)CC1 ZINC000823481005 603385117 /nfs/dbraw/zinc/38/51/17/603385117.db2.gz VEUNZAIGBBFPJX-AWEZNQCLSA-N -1 3 360.458 3.177 20 30 FGEDHM COc1ccc(-c2nn[n-]n2)cc1CN1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000826183087 607637563 /nfs/dbraw/zinc/63/75/63/607637563.db2.gz CWTAUQTVNANEEH-OALUTQOASA-N -1 3 374.448 3.147 20 30 FGEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825322357 607659577 /nfs/dbraw/zinc/65/95/77/607659577.db2.gz AZONYCYUIINLKI-UHFFFAOYSA-N -1 3 360.421 3.099 20 30 FGEDHM CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825322357 607659578 /nfs/dbraw/zinc/65/95/78/607659578.db2.gz AZONYCYUIINLKI-UHFFFAOYSA-N -1 3 360.421 3.099 20 30 FGEDHM CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC[C@@H](NC(=O)[O-])C2)cc1 ZINC000826847799 604221180 /nfs/dbraw/zinc/22/11/80/604221180.db2.gz NZLIXHQQLHMPGL-USXIJHARSA-N -1 3 371.437 3.113 20 30 FGEDHM N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822802063 606299800 /nfs/dbraw/zinc/29/98/00/606299800.db2.gz UPZCONVKJMDJKP-YJBOKZPZSA-N -1 3 373.420 3.032 20 30 FGEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822800922 606300858 /nfs/dbraw/zinc/30/08/58/606300858.db2.gz AWXCXKSVIJDDLY-CRAIPNDOSA-N -1 3 374.404 3.081 20 30 FGEDHM N#C[C@H]1CCC[C@H]1NC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822800922 606300859 /nfs/dbraw/zinc/30/08/59/606300859.db2.gz AWXCXKSVIJDDLY-CRAIPNDOSA-N -1 3 374.404 3.081 20 30 FGEDHM C=CCOc1ccccc1C(=O)O[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000819758668 606347080 /nfs/dbraw/zinc/34/70/80/606347080.db2.gz DYMWXMFNSQTCNG-ZDUSSCGKSA-N -1 3 350.378 3.350 20 30 FGEDHM C=CCOc1ccccc1C(=O)O[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000819758668 606347081 /nfs/dbraw/zinc/34/70/81/606347081.db2.gz DYMWXMFNSQTCNG-ZDUSSCGKSA-N -1 3 350.378 3.350 20 30 FGEDHM Clc1ccc(Cl)c(NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)c1 ZINC000822574483 606415392 /nfs/dbraw/zinc/41/53/92/606415392.db2.gz VOWWYLZWWCCRHT-UHFFFAOYSA-N -1 3 373.207 3.267 20 30 FGEDHM Clc1ccc(Cl)c(NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)c1 ZINC000822574483 606415394 /nfs/dbraw/zinc/41/53/94/606415394.db2.gz VOWWYLZWWCCRHT-UHFFFAOYSA-N -1 3 373.207 3.267 20 30 FGEDHM CCc1ncc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)s1 ZINC000821517766 606461768 /nfs/dbraw/zinc/46/17/68/606461768.db2.gz OEXCMYKFWDKIKV-UHFFFAOYSA-N -1 3 367.360 3.350 20 30 FGEDHM CCc1ncc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)s1 ZINC000821517766 606461769 /nfs/dbraw/zinc/46/17/69/606461769.db2.gz OEXCMYKFWDKIKV-UHFFFAOYSA-N -1 3 367.360 3.350 20 30 FGEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000819743945 606483447 /nfs/dbraw/zinc/48/34/47/606483447.db2.gz TWVFCZLOHMYGMG-UHFFFAOYSA-N -1 3 365.871 3.472 20 30 FGEDHM C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000819743945 606483448 /nfs/dbraw/zinc/48/34/48/606483448.db2.gz TWVFCZLOHMYGMG-UHFFFAOYSA-N -1 3 365.871 3.472 20 30 FGEDHM O=C(C=Cc1c[nH]nc1-c1ccccc1F)c1cccc(-c2nnn[n-]2)c1 ZINC000822923391 606695237 /nfs/dbraw/zinc/69/52/37/606695237.db2.gz QTNBSVQAEPJJKO-CMDGGOBGSA-N -1 3 360.352 3.292 20 30 FGEDHM O=C(C=Cc1c[nH]nc1-c1ccccc1F)c1cccc(-c2nn[n-]n2)c1 ZINC000822923391 606695238 /nfs/dbraw/zinc/69/52/38/606695238.db2.gz QTNBSVQAEPJJKO-CMDGGOBGSA-N -1 3 360.352 3.292 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(C)c(CC)o1 ZINC000819745943 606714988 /nfs/dbraw/zinc/71/49/88/606714988.db2.gz VYGACSSEWUIRKX-UHFFFAOYSA-N -1 3 351.410 3.159 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(C)c(CC)o1 ZINC000819745943 606714990 /nfs/dbraw/zinc/71/49/90/606714990.db2.gz VYGACSSEWUIRKX-UHFFFAOYSA-N -1 3 351.410 3.159 20 30 FGEDHM CCOc1ccc(-c2nnn[n-]2)cc1NCCCOc1cccc(C#N)c1 ZINC000821412852 606864027 /nfs/dbraw/zinc/86/40/27/606864027.db2.gz SHXOVQBEEQRMCC-UHFFFAOYSA-N -1 3 364.409 3.018 20 30 FGEDHM CCOc1ccc(-c2nn[n-]n2)cc1NCCCOc1cccc(C#N)c1 ZINC000821412852 606864028 /nfs/dbraw/zinc/86/40/28/606864028.db2.gz SHXOVQBEEQRMCC-UHFFFAOYSA-N -1 3 364.409 3.018 20 30 FGEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3cc(-c4nnn[n-]4)cs3)cc21 ZINC000820577028 607022786 /nfs/dbraw/zinc/02/27/86/607022786.db2.gz HBEWFSNYHKDYQV-GQCTYLIASA-N -1 3 365.418 3.054 20 30 FGEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3cc(-c4nn[n-]n4)cs3)cc21 ZINC000820577028 607022787 /nfs/dbraw/zinc/02/27/87/607022787.db2.gz HBEWFSNYHKDYQV-GQCTYLIASA-N -1 3 365.418 3.054 20 30 FGEDHM CC1(C)C(=O)Nc2ccc(C(=O)C=Cc3ccc(-c4nnn[n-]4)s3)cc21 ZINC000820577132 607023036 /nfs/dbraw/zinc/02/30/36/607023036.db2.gz LCJRZQMZTGAPPX-DAXSKMNVSA-N -1 3 365.418 3.054 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1oc(CC)cc1C ZINC000819746062 607149998 /nfs/dbraw/zinc/14/99/98/607149998.db2.gz ZGIDUNFJRUVTJI-UHFFFAOYSA-N -1 3 351.410 3.159 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1oc(CC)cc1C ZINC000819746062 607149999 /nfs/dbraw/zinc/14/99/99/607149999.db2.gz ZGIDUNFJRUVTJI-UHFFFAOYSA-N -1 3 351.410 3.159 20 30 FGEDHM C=CCc1cc(CN(C)c2ccc(-c3nn[n-]n3)cc2F)c(O)c(OC)c1 ZINC000823937474 607848072 /nfs/dbraw/zinc/84/80/72/607848072.db2.gz ZDFOQUISPWCVHC-UHFFFAOYSA-N -1 3 369.400 3.085 20 30 FGEDHM C=CCc1cc(OCC)ccc1OC[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823937185 607871392 /nfs/dbraw/zinc/87/13/92/607871392.db2.gz LMVNTPAISZDPJE-GOSISDBHSA-N -1 3 366.421 3.106 20 30 FGEDHM C=CCc1cc(OCC)ccc1OC[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823937185 607871393 /nfs/dbraw/zinc/87/13/93/607871393.db2.gz LMVNTPAISZDPJE-GOSISDBHSA-N -1 3 366.421 3.106 20 30 FGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826401477 607916033 /nfs/dbraw/zinc/91/60/33/607916033.db2.gz ZWBYTBVHFPPWMX-QHHAFSJGSA-N -1 3 373.731 3.464 20 30 FGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000826401477 607916034 /nfs/dbraw/zinc/91/60/34/607916034.db2.gz ZWBYTBVHFPPWMX-QHHAFSJGSA-N -1 3 373.731 3.464 20 30 FGEDHM CCCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(OC)c(C#N)c1 ZINC000825351811 607974721 /nfs/dbraw/zinc/97/47/21/607974721.db2.gz JHWVLFQEFICLFG-UHFFFAOYSA-N -1 3 359.393 3.174 20 30 FGEDHM CCCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(OC)c(C#N)c1 ZINC000825351811 607974722 /nfs/dbraw/zinc/97/47/22/607974722.db2.gz JHWVLFQEFICLFG-UHFFFAOYSA-N -1 3 359.393 3.174 20 30 FGEDHM CC=C(C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000825028725 608039492 /nfs/dbraw/zinc/03/94/92/608039492.db2.gz JXMAUEBOTMABBN-NUQDLXRASA-N -1 3 350.407 3.133 20 30 FGEDHM CC=C(C)C(=O)[C@@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000825028725 608039493 /nfs/dbraw/zinc/03/94/93/608039493.db2.gz JXMAUEBOTMABBN-NUQDLXRASA-N -1 3 350.407 3.133 20 30 FGEDHM C#CCCNC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000823845558 608057743 /nfs/dbraw/zinc/05/77/43/608057743.db2.gz WCKUHCZRWBMGDG-UHFFFAOYSA-N -1 3 367.796 3.066 20 30 FGEDHM C#CCCNC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000823845558 608057744 /nfs/dbraw/zinc/05/77/44/608057744.db2.gz WCKUHCZRWBMGDG-UHFFFAOYSA-N -1 3 367.796 3.066 20 30 FGEDHM Cc1cccc2c1[C@@H](C)C(=Cc1cnc3ccc(-c4nnn[n-]4)cn13)C2=O ZINC000826305216 608318542 /nfs/dbraw/zinc/31/85/42/608318542.db2.gz ONCWRDHUGWZGIA-LUMBYOQCSA-N -1 3 356.389 3.206 20 30 FGEDHM Cc1cccc2c1[C@@H](C)C(=Cc1cnc3ccc(-c4nn[n-]n4)cn13)C2=O ZINC000826305216 608318544 /nfs/dbraw/zinc/31/85/44/608318544.db2.gz ONCWRDHUGWZGIA-LUMBYOQCSA-N -1 3 356.389 3.206 20 30 FGEDHM C#C[C@H](OC(=O)c1cccc(COc2ccccc2-c2nnn[n-]2)c1)C1CC1 ZINC000823838390 608454775 /nfs/dbraw/zinc/45/47/75/608454775.db2.gz PHFMTCLZZFFNBR-SFHVURJKSA-N -1 3 374.400 3.014 20 30 FGEDHM C#C[C@H](OC(=O)c1cccc(COc2ccccc2-c2nn[n-]n2)c1)C1CC1 ZINC000823838390 608454776 /nfs/dbraw/zinc/45/47/76/608454776.db2.gz PHFMTCLZZFFNBR-SFHVURJKSA-N -1 3 374.400 3.014 20 30 FGEDHM CCN(CCC#N)Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000825419706 608514711 /nfs/dbraw/zinc/51/47/11/608514711.db2.gz SUYLWNSORIQVFK-UHFFFAOYSA-N -1 3 362.437 3.181 20 30 FGEDHM CCN(CCC#N)Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000825419706 608514713 /nfs/dbraw/zinc/51/47/13/608514713.db2.gz SUYLWNSORIQVFK-UHFFFAOYSA-N -1 3 362.437 3.181 20 30 FGEDHM CC(C)Oc1cccc(CN=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c1 ZINC000824333835 608540318 /nfs/dbraw/zinc/54/03/18/608540318.db2.gz NQTYBQUVDBVWLS-UHFFFAOYSA-N -1 3 357.805 3.148 20 30 FGEDHM CC(C)Oc1cccc(CN=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c1 ZINC000824333835 608540319 /nfs/dbraw/zinc/54/03/19/608540319.db2.gz NQTYBQUVDBVWLS-UHFFFAOYSA-N -1 3 357.805 3.148 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC000826380227 608749320 /nfs/dbraw/zinc/74/93/20/608749320.db2.gz RTAOBGXRKIFKPD-HOTGVXAUSA-N -1 3 350.451 3.200 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC000826380227 608749323 /nfs/dbraw/zinc/74/93/23/608749323.db2.gz RTAOBGXRKIFKPD-HOTGVXAUSA-N -1 3 350.451 3.200 20 30 FGEDHM N#Cc1ccc(CSc2ccc(-c3nnn[n-]3)cn2)c(Br)c1 ZINC000826385672 609310072 /nfs/dbraw/zinc/31/00/72/609310072.db2.gz WHUZQYFKVRWVGF-UHFFFAOYSA-N -1 3 373.239 3.188 20 30 FGEDHM N#Cc1ccc(CSc2ccc(-c3nn[n-]n3)cn2)c(Br)c1 ZINC000826385672 609310074 /nfs/dbraw/zinc/31/00/74/609310074.db2.gz WHUZQYFKVRWVGF-UHFFFAOYSA-N -1 3 373.239 3.188 20 30 FGEDHM O=C(C=Cc1cccc(Br)n1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826400877 609310240 /nfs/dbraw/zinc/31/02/40/609310240.db2.gz KFXBIGZFFFMFCT-FNORWQNLSA-N -1 3 374.173 3.059 20 30 FGEDHM O=C(C=Cc1cccc(Br)n1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826400877 609310241 /nfs/dbraw/zinc/31/02/41/609310241.db2.gz KFXBIGZFFFMFCT-FNORWQNLSA-N -1 3 374.173 3.059 20 30 FGEDHM N#Cc1ccc(OCc2ccc(-c3nnn[n-]3)cc2Br)c(F)c1 ZINC000826386058 609311671 /nfs/dbraw/zinc/31/16/71/609311671.db2.gz NCUOQSVIVKPTDP-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM N#Cc1ccc(OCc2ccc(-c3nn[n-]n3)cc2Br)c(F)c1 ZINC000826386058 609311672 /nfs/dbraw/zinc/31/16/72/609311672.db2.gz NCUOQSVIVKPTDP-UHFFFAOYSA-N -1 3 374.173 3.219 20 30 FGEDHM COc1cc(C)c(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(C)n1 ZINC000826178201 609368705 /nfs/dbraw/zinc/36/87/05/609368705.db2.gz NSYLYEDGEXRRMX-GXDHUFHOSA-N -1 3 361.405 3.100 20 30 FGEDHM COc1cc(C)c(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(C)n1 ZINC000826178201 609368706 /nfs/dbraw/zinc/36/87/06/609368706.db2.gz NSYLYEDGEXRRMX-GXDHUFHOSA-N -1 3 361.405 3.100 20 30 FGEDHM O=C(C=Cc1ccc(F)c(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826401232 609442492 /nfs/dbraw/zinc/44/24/92/609442492.db2.gz SWQSSQMEVIVWMN-KXFIGUGUSA-N -1 3 373.731 3.464 20 30 FGEDHM O=C(C=Cc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826401232 609442494 /nfs/dbraw/zinc/44/24/94/609442494.db2.gz SWQSSQMEVIVWMN-KXFIGUGUSA-N -1 3 373.731 3.464 20 30 FGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)cc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000826400305 609442692 /nfs/dbraw/zinc/44/26/92/609442692.db2.gz VDUQKCBQUOKZIM-UTCJRWHESA-N -1 3 373.731 3.464 20 30 FGEDHM O=C(C=Cc1ccc(-c2nn[n-]n2)cc1F)c1ccc([N+](=O)[O-])cc1Cl ZINC000826400305 609442694 /nfs/dbraw/zinc/44/26/94/609442694.db2.gz VDUQKCBQUOKZIM-UTCJRWHESA-N -1 3 373.731 3.464 20 30 FGEDHM COc1ccc(O)c(C(C)=NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c1 ZINC000826210379 609473952 /nfs/dbraw/zinc/47/39/52/609473952.db2.gz OUFYMULDPBUEIQ-UHFFFAOYSA-N -1 3 358.789 3.070 20 30 FGEDHM COc1ccc(O)c(C(C)=NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c1 ZINC000826210379 609473953 /nfs/dbraw/zinc/47/39/53/609473953.db2.gz OUFYMULDPBUEIQ-UHFFFAOYSA-N -1 3 358.789 3.070 20 30 FGEDHM C=CCOc1ccc(CNc2cccc(-c3nnn[n-]3)c2C)cc1OC ZINC000823932000 609484953 /nfs/dbraw/zinc/48/49/53/609484953.db2.gz KCXCJZAJPUTFBG-UHFFFAOYSA-N -1 3 351.410 3.361 20 30 FGEDHM C=CCOc1ccc(CNc2cccc(-c3nn[n-]n3)c2C)cc1OC ZINC000823932000 609484955 /nfs/dbraw/zinc/48/49/55/609484955.db2.gz KCXCJZAJPUTFBG-UHFFFAOYSA-N -1 3 351.410 3.361 20 30 FGEDHM C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)C(=O)Nc1ccccc1C#N ZINC000011809684 695602717 /nfs/dbraw/zinc/60/27/17/695602717.db2.gz VHHWHUKLZBCMCB-QMMMGPOBSA-N -1 3 352.177 3.377 20 30 FGEDHM COc1cc(C(=O)/C=C/c2c(Cl)nc(Cl)n2C)c(OC)cc1[O-] ZINC000122522368 700691479 /nfs/dbraw/zinc/69/14/79/700691479.db2.gz LDRVXJXCQLRHKU-SNAWJCMRSA-N -1 3 357.193 3.346 20 30 FGEDHM COC(=O)CN(Cc1cc(Cl)ccc1[O-])Cc1cc(F)ccc1C#N ZINC000160305908 705250065 /nfs/dbraw/zinc/25/00/65/705250065.db2.gz XULSAFVDXXUYHZ-UHFFFAOYSA-N -1 3 362.788 3.232 20 30 FGEDHM COc1csc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c1 ZINC000177601696 705629901 /nfs/dbraw/zinc/62/99/01/705629901.db2.gz FIIPKMVXTZNGAA-LLVKDONJSA-N -1 3 364.810 3.380 20 30 FGEDHM Cc1nnnn1-c1cccc(N=Cc2cc(Br)ccc2[O-])c1 ZINC000255435252 713695960 /nfs/dbraw/zinc/69/59/60/713695960.db2.gz BWNKZLVEUROXGR-UHFFFAOYSA-N -1 3 358.199 3.189 20 30 FGEDHM N#Cc1cc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)ccc1F ZINC000524450542 714283365 /nfs/dbraw/zinc/28/33/65/714283365.db2.gz MWGCYSPMRRMNIQ-UHFFFAOYSA-N -1 3 374.315 3.439 20 30 FGEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1ccnc(SC)c1 ZINC000779196988 724399357 /nfs/dbraw/zinc/39/93/57/724399357.db2.gz KJPMSKROYVJQEK-CYBMUJFWSA-N -1 3 355.419 3.163 20 30 FGEDHM Cc1cc(Cl)nc(C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)c1 ZINC000800152469 724156006 /nfs/dbraw/zinc/15/60/06/724156006.db2.gz XAYHGSHOVRXANM-UHFFFAOYSA-N -1 3 356.234 3.047 20 30 FGEDHM Cn1ncc(Cl)c1C=Nn1c(=S)[n-]nc1SCc1ccccc1 ZINC000780201195 724454052 /nfs/dbraw/zinc/45/40/52/724454052.db2.gz IFLXQEARAHSSKU-UHFFFAOYSA-N -1 3 364.887 3.128 20 30 FGEDHM CC(=N[N-]S(=O)(=O)Cc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl ZINC000782224844 724640263 /nfs/dbraw/zinc/64/02/63/724640263.db2.gz SRKASMKUUACEBK-UHFFFAOYSA-N -1 3 367.814 3.092 20 30 FGEDHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000683237774 722287039 /nfs/dbraw/zinc/28/70/39/722287039.db2.gz ZNAGLXXEIZCZPV-UHFFFAOYSA-N -1 3 360.164 3.373 20 30 FGEDHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000683237774 722287041 /nfs/dbraw/zinc/28/70/41/722287041.db2.gz ZNAGLXXEIZCZPV-UHFFFAOYSA-N -1 3 360.164 3.373 20 30 FGEDHM CSc1nc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)n[n-]1 ZINC000728308891 722451020 /nfs/dbraw/zinc/45/10/20/722451020.db2.gz YJWYGASRPDSFCS-UHFFFAOYSA-N -1 3 352.423 3.058 20 30 FGEDHM COc1ccc(NC(=O)C(C#N)=C([O-])c2ccn(C(C)C)n2)cc1Cl ZINC000733679276 722500059 /nfs/dbraw/zinc/50/00/59/722500059.db2.gz FNMBNDOXNGNMDF-GFCCVEGCSA-N -1 3 360.801 3.087 20 30 FGEDHM CS(=O)(=O)Cc1ccc(N=Cc2cc(Br)ccc2[O-])cc1 ZINC000746340885 722599393 /nfs/dbraw/zinc/59/93/93/722599393.db2.gz VTYUFEBQJROXNK-UHFFFAOYSA-N -1 3 368.252 3.450 20 30 FGEDHM [O-]c1ccc(Br)cc1/C=N\[C@H]1CCN(CC(F)(F)F)C1 ZINC000747033062 722627790 /nfs/dbraw/zinc/62/77/90/722627790.db2.gz NBQTYVJFIADORB-XKRMMWHISA-N -1 3 351.166 3.210 20 30 FGEDHM CC(=NNC(=S)N[C@H](C)C1CC1)c1cc(Br)ccc1[O-] ZINC000751528585 722811915 /nfs/dbraw/zinc/81/19/15/722811915.db2.gz DVBXJWMJMCPUAQ-MRVPVSSYSA-N -1 3 356.289 3.141 20 30 FGEDHM [O-]c1c(Br)cc(O)cc1CN=Nc1nncc2ccccc21 ZINC000755491289 722953782 /nfs/dbraw/zinc/95/37/82/722953782.db2.gz PVSMXFFWBZULJR-UHFFFAOYSA-N -1 3 359.183 3.250 20 30 FGEDHM O=c1[nH]c(NN=Cc2cc(Br)ccc2[O-])nc2ccccc12 ZINC000757584824 722977318 /nfs/dbraw/zinc/97/73/18/722977318.db2.gz WYETUUGAOKCONQ-UHFFFAOYSA-N -1 3 359.183 3.250 20 30 FGEDHM Cc1ccc2c(c1)OCCCC2=N[N-]S(=O)(=O)CCc1ccccc1 ZINC000763171389 723318668 /nfs/dbraw/zinc/31/86/68/723318668.db2.gz IVDDVEWZHJQPSP-UHFFFAOYSA-N -1 3 358.463 3.034 20 30 FGEDHM Cc1ccc(C=CC(=O)C(C#N)=C([O-])c2nccn2C)c(Br)c1 ZINC000770862544 723722108 /nfs/dbraw/zinc/72/21/08/723722108.db2.gz OFMSVBYDSBRGJX-SZZPACECSA-N -1 3 372.222 3.096 20 30 FGEDHM Cc1ccc(C=CC([O-])=C(C#N)C(=O)c2nccn2C)c(Br)c1 ZINC000770862544 723722110 /nfs/dbraw/zinc/72/21/10/723722110.db2.gz OFMSVBYDSBRGJX-SZZPACECSA-N -1 3 372.222 3.096 20 30 FGEDHM N#Cc1cc([O-])cc(C(=O)OCc2nnc(-c3ccccc3Cl)o2)c1 ZINC000811184370 725349313 /nfs/dbraw/zinc/34/93/13/725349313.db2.gz NFQLMFBQJPTGFL-UHFFFAOYSA-N -1 3 355.737 3.324 20 30 FGEDHM CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC000811393910 725361373 /nfs/dbraw/zinc/36/13/73/725361373.db2.gz HMDYYXYSWRIPEH-XXFAHNHDSA-N -1 3 367.858 3.483 20 30 FGEDHM CN1CCC(C#N)([N-]C(=O)C(F)(F)c2cc(Cl)ccc2Cl)CC1 ZINC000817440994 727252235 /nfs/dbraw/zinc/25/22/35/727252235.db2.gz BWJAJEHJASZYNR-UHFFFAOYSA-N -1 3 362.207 3.189 20 30 FGEDHM CCN(C(=O)c1cc(-c2nnn[n-]2)cs1)[C@H](C)c1ccc(C#N)cc1 ZINC000821154382 729064188 /nfs/dbraw/zinc/06/41/88/729064188.db2.gz NBGQTTWRDUGSPU-LLVKDONJSA-N -1 3 352.423 3.023 20 30 FGEDHM CCN(C(=O)c1cc(-c2nn[n-]n2)cs1)[C@H](C)c1ccc(C#N)cc1 ZINC000821154382 729064189 /nfs/dbraw/zinc/06/41/89/729064189.db2.gz NBGQTTWRDUGSPU-LLVKDONJSA-N -1 3 352.423 3.023 20 30 FGEDHM Cn1c(=O)ccc2c1CCC[C@@H]2/N=C\c1cc(Br)ccc1[O-] ZINC000844269280 730696235 /nfs/dbraw/zinc/69/62/35/730696235.db2.gz BGYIEMVBFQSAKE-VAODSVERSA-N -1 3 361.239 3.350 20 30 FGEDHM Cc1nn(CC([O-])=C(C#N)C(=O)C2(c3ccccc3)CC2)c(C)c1Cl ZINC000845840115 730902066 /nfs/dbraw/zinc/90/20/66/730902066.db2.gz ZTABKEGHOBOFJG-OAHLLOKOSA-N -1 3 355.825 3.163 20 30 FGEDHM Cc1nn(CC(=O)C(C#N)=C([O-])C2(c3ccccc3)CC2)c(C)c1Cl ZINC000845840115 730902068 /nfs/dbraw/zinc/90/20/68/730902068.db2.gz ZTABKEGHOBOFJG-OAHLLOKOSA-N -1 3 355.825 3.163 20 30 FGEDHM C=C[C@@H](C)O[N-]C(=O)CCc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3 ZINC000846544224 730962172 /nfs/dbraw/zinc/96/21/72/730962172.db2.gz VUDFKBUZLOYQAD-GHMZBOCLSA-N -1 3 361.467 3.077 20 30 FGEDHM Cc1cc([O-])c(C=NN2C(=S)N=NC2[C@H]2CCCCO2)cc1Cl ZINC000853313243 731693835 /nfs/dbraw/zinc/69/38/35/731693835.db2.gz LAUURZSPIMNZKK-CYBMUJFWSA-N -1 3 352.847 3.358 20 30 FGEDHM Cc1ncc(CO)c(/C=N\CCc2ccc(OC(F)(F)F)cc2)c1[O-] ZINC000915981938 758016408 /nfs/dbraw/zinc/01/64/08/758016408.db2.gz JMGKPROYZTVHPL-NKVSQWTQSA-N -1 3 354.328 3.148 20 30 FGEDHM CC(=NNC(=S)Nc1cccnc1)c1cc(Br)ccc1[O-] ZINC000916299658 758067091 /nfs/dbraw/zinc/06/70/91/758067091.db2.gz UFZRBYFHEKPLAO-UHFFFAOYSA-N -1 3 365.256 3.260 20 30 FGEDHM Cc1ccsc1C=Nn1c(=S)[n-]nc1[C@H]1COc2ccccc2O1 ZINC000916321435 758071067 /nfs/dbraw/zinc/07/10/67/758071067.db2.gz ZFGJROSZWWNMTK-CYBMUJFWSA-N -1 3 358.448 3.331 20 30 FGEDHM Cc1ncc(CO)c(/C=N/[C@@H]2CCc3cc(Br)ccc32)c1[O-] ZINC000920174476 758520855 /nfs/dbraw/zinc/52/08/55/758520855.db2.gz NGMAMMBEQLUJRR-YSNFCQRUSA-N -1 3 361.239 3.457 20 30 FGEDHM Cc1ncc(CO)c(/C=N/CCc2cc(Br)ccc2F)c1[O-] ZINC000920863851 758613943 /nfs/dbraw/zinc/61/39/43/758613943.db2.gz DYFTXRXXNPPQKG-UFWORHAWSA-N -1 3 367.218 3.151 20 30 FGEDHM CCC[C@@H](Cc1ccccc1)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000068707599 493860854 /nfs/dbraw/zinc/86/08/54/493860854.db2.gz IGKFRBLAQDCYKM-SFHVURJKSA-N -1 3 365.477 3.324 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000005165127 493916791 /nfs/dbraw/zinc/91/67/91/493916791.db2.gz VIQSWILCPJDGCZ-UHFFFAOYSA-N -1 3 363.339 3.454 20 30 FGEDHM CCOC(=O)c1cc([N-]C(=O)c2sccc2C#N)cc(C(=O)OCC)c1 ZINC000052028343 494000491 /nfs/dbraw/zinc/00/04/91/494000491.db2.gz ZGLXYAFMCFVZQM-UHFFFAOYSA-N -1 3 372.402 3.225 20 30 FGEDHM N#CC(=C([O-])c1ccc2c(c1)CCC(=O)N2)c1ccc(C(F)(F)F)cn1 ZINC000041553863 494167649 /nfs/dbraw/zinc/16/76/49/494167649.db2.gz MCTYBQJPGLMVCQ-CYBMUJFWSA-N -1 3 359.307 3.475 20 30 FGEDHM COc1ccccc1-c1nc(NC(=O)CSCc2ccncc2)n[n-]1 ZINC000053808284 494167998 /nfs/dbraw/zinc/16/79/98/494167998.db2.gz CGBUAMVSVOMWBX-UHFFFAOYSA-N -1 3 355.423 3.397 20 30 FGEDHM CS(=O)(=O)Cc1ccc(C(=O)[N-]c2ccccc2SCCC#N)o1 ZINC000078568839 494321901 /nfs/dbraw/zinc/32/19/01/494321901.db2.gz PPYAGZLYRBDCTP-UHFFFAOYSA-N -1 3 364.448 3.082 20 30 FGEDHM CSCc1ccc(NC(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)cc1 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Cc1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(C#N)c(C)c3)cc2)n1 ZINC000581740554 506057588 /nfs/dbraw/zinc/05/75/88/506057588.db2.gz DBUQRGWEWDEXDW-UHFFFAOYSA-N -1 3 352.419 3.162 20 30 FGEDHM Cc1ncc(CO)c(/C=N/C[C@@H](c2ccc(OC(C)C)cc2)N(C)C)c1[O-] ZINC000287330623 498719592 /nfs/dbraw/zinc/71/95/92/498719592.db2.gz WANDFSSWDGGTDY-OKFCBPFISA-N -1 3 371.481 3.097 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2cc(Cl)sc2Cl)s1 ZINC000312815478 498764351 /nfs/dbraw/zinc/76/43/51/498764351.db2.gz GSKWNWPXLUOKLZ-UHFFFAOYSA-N -1 3 353.277 3.467 20 30 FGEDHM CCCCCCCS(=O)(=O)[N-]C1(c2noc(C(F)F)n2)CCC1 ZINC000366215294 498827906 /nfs/dbraw/zinc/82/79/06/498827906.db2.gz CEMPGDFRIKCSFY-UHFFFAOYSA-N -1 3 351.419 3.276 20 30 FGEDHM CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)s1 ZINC000329224558 499077153 /nfs/dbraw/zinc/07/71/53/499077153.db2.gz ZXCWJXYRXFEYQX-YNEHKIRRSA-N -1 3 357.501 3.388 20 30 FGEDHM N#Cc1cccc([C@@H]2CN(C(=O)Cc3ccc([O-])cc3Cl)CCO2)c1 ZINC000371259163 499303450 /nfs/dbraw/zinc/30/34/50/499303450.db2.gz RTRHISVIXSALQK-SFHVURJKSA-N -1 3 356.809 3.060 20 30 FGEDHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc(C#N)c(C)n3)c2)n1 ZINC000368748945 499327717 /nfs/dbraw/zinc/32/77/17/499327717.db2.gz SLSHKZVLUYYDSW-UHFFFAOYSA-N -1 3 359.389 3.239 20 30 FGEDHM C=CCCC[C@@H](C)NC(=O)NC1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000371474391 499331697 /nfs/dbraw/zinc/33/16/97/499331697.db2.gz ZJRTZUIVHNPSNQ-OAHLLOKOSA-N -1 3 359.470 3.041 20 30 FGEDHM CCCc1c(NC(=O)c2ccc3n[n-]nc3c2)cnn1-c1cccc(C#N)c1 ZINC000368940243 499348980 /nfs/dbraw/zinc/34/89/80/499348980.db2.gz GRHLISPUPPKEPI-UHFFFAOYSA-N -1 3 371.404 3.220 20 30 FGEDHM COc1ccccc1-c1nc(NC(=O)[C@]2(C#N)CCc3ccccc3C2)n[n-]1 ZINC000378448238 499518010 /nfs/dbraw/zinc/51/80/10/499518010.db2.gz CKQPGAKUJHWRTF-OAQYLSRUSA-N -1 3 373.416 3.118 20 30 FGEDHM Cn1cc(CSc2n[n-]c(-c3ccccn3)n2)c(-c2ccc(C#N)cc2)n1 ZINC000378623017 499538615 /nfs/dbraw/zinc/53/86/15/499538615.db2.gz LVHHJSUVVBYOCN-UHFFFAOYSA-N -1 3 373.445 3.431 20 30 FGEDHM CC[C@H](C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)CC(F)(F)F ZINC000402480131 499569840 /nfs/dbraw/zinc/56/98/40/499569840.db2.gz OXHDANUVZODBMK-VIFPVBQESA-N -1 3 354.781 3.469 20 30 FGEDHM Cc1csc2c1CN(C(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C)CC2 ZINC000376272243 499596300 /nfs/dbraw/zinc/59/63/00/499596300.db2.gz YIIPUFKIVOWKCO-UHFFFAOYSA-N -1 3 355.463 3.163 20 30 FGEDHM CC(C)(C)[C@](C)(C#N)[N-]S(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000421241977 500000249 /nfs/dbraw/zinc/00/02/49/500000249.db2.gz YHZYCPUDTRMCTM-AWEZNQCLSA-N -1 3 350.362 3.034 20 30 FGEDHM CC[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)CC(F)(F)F ZINC000416592805 500068711 /nfs/dbraw/zinc/06/87/11/500068711.db2.gz JBLSDOZAWVDCMH-VIFPVBQESA-N -1 3 354.781 3.469 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2C[C@H]2c2ccco2)c(C(F)(F)F)c1 ZINC000416646337 500078043 /nfs/dbraw/zinc/07/80/43/500078043.db2.gz GROHLIGPAPRKTH-ZYHUDNBSSA-N -1 3 356.325 3.004 20 30 FGEDHM Cc1cc[nH]c2nc(C(C#N)=C([O-])c3cccc(Oc4cnccn4)c3)nc1-2 ZINC000429593127 500110173 /nfs/dbraw/zinc/11/01/73/500110173.db2.gz UZLGYHJWIZHDBP-OAHLLOKOSA-N -1 3 370.372 3.339 20 30 FGEDHM N#Cc1ccc(O[C@H]2CCN(Cc3cc([O-])cc(C(F)(F)F)c3)C2)nc1 ZINC000430183356 500205540 /nfs/dbraw/zinc/20/55/40/500205540.db2.gz ALZRKJNJDVQALG-INIZCTEOSA-N -1 3 363.339 3.331 20 30 FGEDHM N#Cc1ncccc1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CCCC1 ZINC000428246447 500486624 /nfs/dbraw/zinc/48/66/24/500486624.db2.gz YQOJICGJNBFSDZ-UHFFFAOYSA-N -1 3 361.854 3.354 20 30 FGEDHM CCOc1ccccc1[C@@H](CC(C)C)[N-]S(=O)(=O)c1cccnc1C#N ZINC000428372606 500501922 /nfs/dbraw/zinc/50/19/22/500501922.db2.gz LVZUZHJWSLVPLG-MRXNPFEDSA-N -1 3 373.478 3.418 20 30 FGEDHM N#Cc1cnccc1[N-]C(=O)c1cc(OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000447416646 500603188 /nfs/dbraw/zinc/60/31/88/500603188.db2.gz CPDKFQHGTFJMQH-UHFFFAOYSA-N -1 3 374.356 3.115 20 30 FGEDHM COc1cc(C(=O)N[C@H](C#N)c2cccc(Br)c2)ccc1[O-] ZINC000442942035 500650941 /nfs/dbraw/zinc/65/09/41/500650941.db2.gz HJAIOPXZJYTBBK-CYBMUJFWSA-N -1 3 361.195 3.158 20 30 FGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]CCc1ccc2ccccc2n1 ZINC000443032224 500666542 /nfs/dbraw/zinc/66/65/42/500666542.db2.gz IQHPHYKXHMMZOL-UHFFFAOYSA-N -1 3 371.849 3.281 20 30 FGEDHM CCCC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000443067834 500673465 /nfs/dbraw/zinc/67/34/65/500673465.db2.gz JRYWMDOSMBIBCI-TZMCWYRMSA-N -1 3 351.428 3.104 20 30 FGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]CCCSc1ccc(F)cc1 ZINC000443087629 500677552 /nfs/dbraw/zinc/67/75/52/500677552.db2.gz QGBUDRDUIRRXFD-UHFFFAOYSA-N -1 3 368.430 3.297 20 30 FGEDHM Cc1ccc([N-]S(C)(=O)=O)c(NC(=O)[C@@H](C#N)CCc2ccccc2)c1 ZINC000433363242 500681336 /nfs/dbraw/zinc/68/13/36/500681336.db2.gz LFHSNJFVJCLDFT-MRXNPFEDSA-N -1 3 371.462 3.078 20 30 FGEDHM N#Cc1cc(Cl)ccc1S(=O)(=O)[N-][C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000443127267 500684731 /nfs/dbraw/zinc/68/47/31/500684731.db2.gz JNZSTJHDTPXGEA-SMDDNHRTSA-N -1 3 368.792 3.324 20 30 FGEDHM N#Cc1cc(F)ccc1S(=O)(=O)[N-]C1(c2cccc(Cl)c2)CC1 ZINC000443247674 500700958 /nfs/dbraw/zinc/70/09/58/500700958.db2.gz ULGNWPBFAYEQDV-UHFFFAOYSA-N -1 3 350.802 3.318 20 30 FGEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C#N)c1ccc(F)cc1 ZINC000443345972 500713523 /nfs/dbraw/zinc/71/35/23/500713523.db2.gz UEHPTHQLPNHVHP-OAHLLOKOSA-N -1 3 368.817 3.017 20 30 FGEDHM CC(C)(C)c1ccc(C(=O)C[N-]S(=O)(=O)c2ccc(F)cc2C#N)cc1 ZINC000444289969 500830077 /nfs/dbraw/zinc/83/00/77/500830077.db2.gz TVEMUTOOFOGYEO-UHFFFAOYSA-N -1 3 374.437 3.156 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(CCOCc3ccccc3)CC2)s1 ZINC000435424555 500971596 /nfs/dbraw/zinc/97/15/96/500971596.db2.gz AJLRXWQOTQPDHD-UHFFFAOYSA-N -1 3 362.476 3.038 20 30 FGEDHM CC[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)Oc1ccccc1C ZINC000435431147 500974040 /nfs/dbraw/zinc/97/40/40/500974040.db2.gz HCJMNZHHQNPXKW-CYBMUJFWSA-N -1 3 350.465 3.064 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]Cc2nc3cc(Cl)ccc3s2)s1 ZINC000435434057 500975288 /nfs/dbraw/zinc/97/52/88/500975288.db2.gz WBPJMZURPVZNQB-UHFFFAOYSA-N -1 3 369.880 3.361 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCOc2cccc3ccccc32)s1 ZINC000435434702 500976353 /nfs/dbraw/zinc/97/63/53/500976353.db2.gz TZGBZRSJHUIGGF-UHFFFAOYSA-N -1 3 358.444 3.130 20 30 FGEDHM C[C@@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)Oc1ccccc1Cl ZINC000435440109 500978245 /nfs/dbraw/zinc/97/82/45/500978245.db2.gz ZMWRMKFXSDSGCA-JTQLQIEISA-N -1 3 356.856 3.019 20 30 FGEDHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1ccc(C#N)s1)c1ccsc1 ZINC000435444028 500978764 /nfs/dbraw/zinc/97/87/64/500978764.db2.gz UPQBIIXPOVWRHW-CQSZACIVSA-N -1 3 369.537 3.043 20 30 FGEDHM C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000435586971 500996216 /nfs/dbraw/zinc/99/62/16/500996216.db2.gz AIARPHCSZFQOPT-IINYFYTJSA-N -1 3 350.267 3.253 20 30 FGEDHM CSc1ccc(CC[N-]S(=O)(=O)c2cccc(Cl)c2C#N)cc1 ZINC000435602690 501000046 /nfs/dbraw/zinc/00/00/46/501000046.db2.gz WFXOJZLBHRFENS-UHFFFAOYSA-N -1 3 366.895 3.455 20 30 FGEDHM COC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccc(F)cc1 ZINC000436183276 501085619 /nfs/dbraw/zinc/08/56/19/501085619.db2.gz VSJFAJXCZZIWDR-MRXNPFEDSA-N -1 3 368.817 3.017 20 30 FGEDHM C=CCC1(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])CCCC1 ZINC000449811787 501094897 /nfs/dbraw/zinc/09/48/97/501094897.db2.gz SLOCJFAIJMMKHC-UHFFFAOYSA-N -1 3 364.467 3.007 20 30 FGEDHM C=CCN(C(=O)c1cc(C)ccc1[O-])[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000436558135 501156074 /nfs/dbraw/zinc/15/60/74/501156074.db2.gz WORDPLSDJKJQEV-HNNXBMFYSA-N -1 3 363.421 3.066 20 30 FGEDHM C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000457661006 501280722 /nfs/dbraw/zinc/28/07/22/501280722.db2.gz HRJWTKIFZYNRIW-WFASDCNBSA-N -1 3 354.244 3.142 20 30 FGEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000451751258 501365343 /nfs/dbraw/zinc/36/53/43/501365343.db2.gz AYDWBHGRXGCMCU-INIZCTEOSA-N -1 3 365.817 3.175 20 30 FGEDHM C=CCC[C@H](CO)[N-]S(=O)(=O)c1cc(Cl)ccc1OCC1CCC1 ZINC000452031520 501420607 /nfs/dbraw/zinc/42/06/07/501420607.db2.gz SQCKHQZPTWZJIY-OAHLLOKOSA-N -1 3 373.902 3.124 20 30 FGEDHM C=CCC1(NC(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CCCCC1 ZINC000456365914 501510445 /nfs/dbraw/zinc/51/04/45/501510445.db2.gz LXGZCJSTPSVUQD-UHFFFAOYSA-N -1 3 354.447 3.206 20 30 FGEDHM COCCN(CC#N)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000459536576 501672047 /nfs/dbraw/zinc/67/20/47/501672047.db2.gz QCXDKLKKHOKGOX-UHFFFAOYSA-N -1 3 354.435 3.036 20 30 FGEDHM COc1c2ccccc2oc1C[N-]S(=O)(=O)Cc1cc(C#N)ccc1F ZINC000474392251 501818219 /nfs/dbraw/zinc/81/82/19/501818219.db2.gz UKOOZJBMTBDZSQ-UHFFFAOYSA-N -1 3 374.393 3.072 20 30 FGEDHM CCOc1ccc(F)c([N-]S(=O)(=O)c2ccc(C#N)cc2OC)c1F ZINC000463794070 501822905 /nfs/dbraw/zinc/82/29/05/501822905.db2.gz FIFYASXLZPYSCW-UHFFFAOYSA-N -1 3 368.361 3.045 20 30 FGEDHM CC(C)N(C(=O)c1ccc(C#N)c([O-])c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000592874049 506286000 /nfs/dbraw/zinc/28/60/00/506286000.db2.gz QVYISSGMQYLWFP-FQEVSTJZSA-N -1 3 363.461 3.389 20 30 FGEDHM Cn1c2cc(C([O-])=C(C#N)c3cc(C(F)(F)F)ccn3)ccc2[nH]c1=O ZINC000464464351 501997237 /nfs/dbraw/zinc/99/72/37/501997237.db2.gz HMBRYYUQRZBKSK-NSHDSACASA-N -1 3 360.295 3.183 20 30 FGEDHM CCc1cc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)ccc1[O-] ZINC000486185267 502077085 /nfs/dbraw/zinc/07/70/85/502077085.db2.gz GKAVGVJHFJPIDE-UHFFFAOYSA-N -1 3 352.390 3.286 20 30 FGEDHM N#Cc1ccccc1N1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000468798870 502186927 /nfs/dbraw/zinc/18/69/27/502186927.db2.gz CKPPWDDGTAYTSA-UHFFFAOYSA-N -1 3 367.424 3.074 20 30 FGEDHM COc1ccc(Cl)cc1C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475534274 502206125 /nfs/dbraw/zinc/20/61/25/502206125.db2.gz UEEXSTVLTMPMGR-UHFFFAOYSA-N -1 3 371.245 3.352 20 30 FGEDHM N#Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000475582370 502218653 /nfs/dbraw/zinc/21/86/53/502218653.db2.gz SIMQVWJYAWNDDB-UKRRQHHQSA-N -1 3 350.802 3.185 20 30 FGEDHM CC(C)(C)[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C#N)CCO1 ZINC000479348680 502232032 /nfs/dbraw/zinc/23/20/32/502232032.db2.gz UEPSHAYHBOZSSZ-DZGCQCFKSA-N -1 3 356.875 3.084 20 30 FGEDHM Cc1ccc2c(c1C)OC[C@H]2[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475790559 502293402 /nfs/dbraw/zinc/29/34/02/502293402.db2.gz ARJLGGFJCYZTQR-OAHLLOKOSA-N -1 3 362.838 3.241 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](CCc2ccccc2)C(F)(F)F)cc1 ZINC000480052836 502458953 /nfs/dbraw/zinc/45/89/53/502458953.db2.gz ZCJIEFOURKLHKW-INIZCTEOSA-N -1 3 368.380 3.400 20 30 FGEDHM CCC(CC)[C@H](CC[N-]S(=O)(=O)c1cc(C#N)ccc1Cl)OC ZINC000476419532 502484353 /nfs/dbraw/zinc/48/43/53/502484353.db2.gz STVIZCDDFDKVHU-HNNXBMFYSA-N -1 3 358.891 3.331 20 30 FGEDHM CC(C)(C)[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C#N)ccc2Cl)CCO1 ZINC000476506876 502508168 /nfs/dbraw/zinc/50/81/68/502508168.db2.gz MREYRXUAPUEZRP-IUODEOHRSA-N -1 3 356.875 3.084 20 30 FGEDHM C=C(C)C[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000466605212 502621258 /nfs/dbraw/zinc/62/12/58/502621258.db2.gz YOMJEGNGNBDMID-NSHDSACASA-N -1 3 364.389 3.068 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCc2ccccc2F)c(Cl)c1 ZINC000481266802 502801668 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CCOC(=O)c1ccc(-c2nn[n-]n2)c(S[C@H](C#N)C2CCCCC2)n1 ZINC000736601668 599012638 /nfs/dbraw/zinc/01/26/38/599012638.db2.gz CLVLGICHDKPHOS-CQSZACIVSA-N -1 3 372.454 3.003 20 30 FGEDHM COc1ccc(OC)c(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c1 ZINC000821842634 599113256 /nfs/dbraw/zinc/11/32/56/599113256.db2.gz UUHGWWHZBRZUQN-JLHYYAGUSA-N -1 3 362.389 3.096 20 30 FGEDHM COc1ccc(OC)c(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c1 ZINC000821842634 599113258 /nfs/dbraw/zinc/11/32/58/599113258.db2.gz UUHGWWHZBRZUQN-JLHYYAGUSA-N -1 3 362.389 3.096 20 30 FGEDHM COc1cc(-c2nnn[n-]2)ccc1OCCSc1ccc(C#N)cc1F ZINC000737031923 599171179 /nfs/dbraw/zinc/17/11/79/599171179.db2.gz FXJKAXAPJBEOSV-UHFFFAOYSA-N -1 3 371.397 3.057 20 30 FGEDHM COc1cc(-c2nn[n-]n2)ccc1OCCSc1ccc(C#N)cc1F ZINC000737031923 599171182 /nfs/dbraw/zinc/17/11/82/599171182.db2.gz FXJKAXAPJBEOSV-UHFFFAOYSA-N -1 3 371.397 3.057 20 30 FGEDHM CC(C)(C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000735581371 599193182 /nfs/dbraw/zinc/19/31/82/599193182.db2.gz RMOGBIOKPSFDTL-UHFFFAOYSA-N -1 3 366.812 3.308 20 30 FGEDHM CC(C)(C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000735581371 599193183 /nfs/dbraw/zinc/19/31/83/599193183.db2.gz RMOGBIOKPSFDTL-UHFFFAOYSA-N -1 3 366.812 3.308 20 30 FGEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000736822427 598275266 /nfs/dbraw/zinc/27/52/66/598275266.db2.gz NPUFTIBJVDCMGR-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000736822427 598275268 /nfs/dbraw/zinc/27/52/68/598275268.db2.gz NPUFTIBJVDCMGR-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(F)c(F)c(F)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737201388 598638836 /nfs/dbraw/zinc/63/88/36/598638836.db2.gz DOQMJNGHSHWQRM-PLNGDYQASA-N -1 3 373.338 3.236 20 30 FGEDHM Cc1c(C(=O)C=Cc2cc(F)c(F)c(F)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737201388 598638837 /nfs/dbraw/zinc/63/88/37/598638837.db2.gz DOQMJNGHSHWQRM-PLNGDYQASA-N -1 3 373.338 3.236 20 30 FGEDHM CN(C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1(C#N)CCC1 ZINC000736741020 598666109 /nfs/dbraw/zinc/66/61/09/598666109.db2.gz KDKOANAZFFMDBL-UHFFFAOYSA-N -1 3 374.404 3.177 20 30 FGEDHM CN(C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1(C#N)CCC1 ZINC000736741020 598666111 /nfs/dbraw/zinc/66/61/11/598666111.db2.gz KDKOANAZFFMDBL-UHFFFAOYSA-N -1 3 374.404 3.177 20 30 FGEDHM C=C(C)CN(CC)C(=O)[C@H](C)S[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000735399649 599329733 /nfs/dbraw/zinc/32/97/33/599329733.db2.gz SCYPJSNBWJSVAI-KBPBESRZSA-N -1 3 359.499 3.474 20 30 FGEDHM C=C(C)CN(CC)C(=O)[C@H](C)S[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000735399649 599329736 /nfs/dbraw/zinc/32/97/36/599329736.db2.gz SCYPJSNBWJSVAI-KBPBESRZSA-N -1 3 359.499 3.474 20 30 FGEDHM CN(C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C1(C#N)CCC1 ZINC000736740499 599564559 /nfs/dbraw/zinc/56/45/59/599564559.db2.gz ADAXEWCYXGRFKO-UHFFFAOYSA-N -1 3 373.420 3.129 20 30 FGEDHM C#C[C@H](C)OC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000819688154 599624899 /nfs/dbraw/zinc/62/48/99/599624899.db2.gz DUBBTIJPNYXFLL-NSHDSACASA-N -1 3 368.780 3.491 20 30 FGEDHM Cc1cc2cc(C(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)oc2cc1C ZINC000822212830 599631351 /nfs/dbraw/zinc/63/13/51/599631351.db2.gz IRISVXQUPASJSW-UHFFFAOYSA-N -1 3 358.361 3.354 20 30 FGEDHM Cc1cc2cc(C(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)oc2cc1C ZINC000822212830 599631352 /nfs/dbraw/zinc/63/13/52/599631352.db2.gz IRISVXQUPASJSW-UHFFFAOYSA-N -1 3 358.361 3.354 20 30 FGEDHM Cc1ccc2c(CCC(=O)Nc3ccc(C#N)c(-c4nnn[n-]4)c3)c[nH]c2c1 ZINC000822275193 599689968 /nfs/dbraw/zinc/68/99/68/599689968.db2.gz PHQPKPFSOGILOA-UHFFFAOYSA-N -1 3 371.404 3.099 20 30 FGEDHM Cc1ccc2c(CCC(=O)Nc3ccc(C#N)c(-c4nn[n-]n4)c3)c[nH]c2c1 ZINC000822275193 599689969 /nfs/dbraw/zinc/68/99/69/599689969.db2.gz PHQPKPFSOGILOA-UHFFFAOYSA-N -1 3 371.404 3.099 20 30 FGEDHM C[C@@](NCc1cccc(C#N)c1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736665180 600078904 /nfs/dbraw/zinc/07/89/04/600078904.db2.gz WECHYAIFQFBBBG-KRWDZBQOSA-N -1 3 359.223 3.410 20 30 FGEDHM N#CC(C(=O)c1ccc(OCC(=O)[O-])cc1)c1nc2cc(F)ccc2s1 ZINC000739074330 600127156 /nfs/dbraw/zinc/12/71/56/600127156.db2.gz IDRPFMCTNZJMMV-ZDUSSCGKSA-N -1 3 370.361 3.389 20 30 FGEDHM N#Cc1cnc2ccccc2c1N1CCN([C@H](C(=O)[O-])c2ccccc2)CC1 ZINC000738435730 600402546 /nfs/dbraw/zinc/40/25/46/600402546.db2.gz SDOLXYAWXJQRAO-NRFANRHFSA-N -1 3 372.428 3.054 20 30 FGEDHM CC(C)c1nc([C@H]2CCCN([C@H](C(=O)[O-])c3ccc(C#N)cc3)C2)no1 ZINC000736524968 600565770 /nfs/dbraw/zinc/56/57/70/600565770.db2.gz LEJQNJJWDCKLKN-HOTGVXAUSA-N -1 3 354.410 3.070 20 30 FGEDHM CCCOc1ccc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737032307 600593723 /nfs/dbraw/zinc/59/37/23/600593723.db2.gz ZWLSRYZRVSSIKL-IBGZPJMESA-N -1 3 354.406 3.271 20 30 FGEDHM C=CCc1cc(CN[C@H](C(=O)[O-])c2ccc(C#N)cc2)cc(OC)c1OC ZINC000736114740 600596436 /nfs/dbraw/zinc/59/64/36/600596436.db2.gz PPVCGZXFVRCUGN-IBGZPJMESA-N -1 3 366.417 3.219 20 30 FGEDHM Cc1nccn1-c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000822477574 607460107 /nfs/dbraw/zinc/46/01/07/607460107.db2.gz MRTUELCCOGHWFS-RMKNXTFCSA-N -1 3 374.379 3.396 20 30 FGEDHM N#CC(C(=O)Nc1cccc2ccccc21)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000833064602 601236970 /nfs/dbraw/zinc/23/69/70/601236970.db2.gz SVWLXTJXMKYHJY-INMHGKMJSA-N -1 3 364.401 3.378 20 30 FGEDHM COc1cc([C@@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc(OC)c1OC ZINC000831956676 601300785 /nfs/dbraw/zinc/30/07/85/601300785.db2.gz YKFLSQHVJHJYQK-XIKOKIGWSA-N -1 3 370.405 3.061 20 30 FGEDHM CCC[C@@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000739306948 602671121 /nfs/dbraw/zinc/67/11/21/602671121.db2.gz YSMGVHOAGWIGDU-UONOGXRCSA-N -1 3 373.434 3.431 20 30 FGEDHM COc1ccc(-c2nn[n-]n2)cc1CN1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000826183086 607637374 /nfs/dbraw/zinc/63/73/74/607637374.db2.gz CWTAUQTVNANEEH-MOPGFXCFSA-N -1 3 374.448 3.147 20 30 FGEDHM CCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1ccc(C#N)cc1C ZINC000825318732 607659456 /nfs/dbraw/zinc/65/94/56/607659456.db2.gz RFKRXAKTDNIYHB-UHFFFAOYSA-N -1 3 360.421 3.099 20 30 FGEDHM CCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1ccc(C#N)cc1C ZINC000825318732 607659458 /nfs/dbraw/zinc/65/94/58/607659458.db2.gz RFKRXAKTDNIYHB-UHFFFAOYSA-N -1 3 360.421 3.099 20 30 FGEDHM Clc1ccc(C=NOCc2cn3ccccc3c2-c2nnn[n-]2)cc1 ZINC000822574194 606176315 /nfs/dbraw/zinc/17/63/15/606176315.db2.gz PVLIBYXZUWGGMB-UHFFFAOYSA-N -1 3 352.785 3.324 20 30 FGEDHM Clc1ccc(C=NOCc2cn3ccccc3c2-c2nn[n-]n2)cc1 ZINC000822574194 606176317 /nfs/dbraw/zinc/17/63/17/606176317.db2.gz PVLIBYXZUWGGMB-UHFFFAOYSA-N -1 3 352.785 3.324 20 30 FGEDHM Cc1ccc(CCCC(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)s1 ZINC000822236235 606186464 /nfs/dbraw/zinc/18/64/64/606186464.db2.gz PSXUDRXCCMXAHV-UHFFFAOYSA-N -1 3 352.423 3.070 20 30 FGEDHM Cc1ccc(CCCC(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)s1 ZINC000822236235 606186466 /nfs/dbraw/zinc/18/64/66/606186466.db2.gz PSXUDRXCCMXAHV-UHFFFAOYSA-N -1 3 352.423 3.070 20 30 FGEDHM Clc1ccc(-c2noc(N=NCc3cc(-c4nnn[n-]4)cs3)n2)cc1 ZINC000822574332 606205787 /nfs/dbraw/zinc/20/57/87/606205787.db2.gz RMKOSEISLMCRKB-UHFFFAOYSA-N -1 3 372.801 3.078 20 30 FGEDHM Clc1ccc(-c2noc(N=NCc3cc(-c4nn[n-]n4)cs3)n2)cc1 ZINC000822574332 606205788 /nfs/dbraw/zinc/20/57/88/606205788.db2.gz RMKOSEISLMCRKB-UHFFFAOYSA-N -1 3 372.801 3.078 20 30 FGEDHM Fc1cc(Br)ccc1NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000822748003 606206217 /nfs/dbraw/zinc/20/62/17/606206217.db2.gz BYIJNRPHOLRQPY-UHFFFAOYSA-N -1 3 367.207 3.276 20 30 FGEDHM Fc1cc(Br)ccc1NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000822748003 606206219 /nfs/dbraw/zinc/20/62/19/606206219.db2.gz BYIJNRPHOLRQPY-UHFFFAOYSA-N -1 3 367.207 3.276 20 30 FGEDHM Cc1cc(N[C@H]2CCC[C@H]2C#N)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822209665 606242032 /nfs/dbraw/zinc/24/20/32/606242032.db2.gz QYUGNLMKVMXZES-STQMWFEESA-N -1 3 358.409 3.080 20 30 FGEDHM Cc1cc(N[C@H]2CCC[C@H]2C#N)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000822209665 606242034 /nfs/dbraw/zinc/24/20/34/606242034.db2.gz QYUGNLMKVMXZES-STQMWFEESA-N -1 3 358.409 3.080 20 30 FGEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cc2)c1 ZINC000822836944 606273037 /nfs/dbraw/zinc/27/30/37/606273037.db2.gz BIPUAHRIVHPWRC-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#Cc1cccc(Oc2ccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cc2)c1 ZINC000822836944 606273039 /nfs/dbraw/zinc/27/30/39/606273039.db2.gz BIPUAHRIVHPWRC-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000822801387 606452395 /nfs/dbraw/zinc/45/23/95/606452395.db2.gz IILORAJHIXUMNX-MOPGFXCFSA-N -1 3 362.412 3.278 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1ccc(F)cc1-c1nn[n-]n1 ZINC000822801387 606452396 /nfs/dbraw/zinc/45/23/96/606452396.db2.gz IILORAJHIXUMNX-MOPGFXCFSA-N -1 3 362.412 3.278 20 30 FGEDHM Cc1ccc(C)c(N=C2NN=C(c3ccc(-c4nnn[n-]4)cc3)CS2)c1 ZINC000822231892 606632461 /nfs/dbraw/zinc/63/24/61/606632461.db2.gz LGUBQTXKZKJQHZ-UHFFFAOYSA-N -1 3 363.450 3.212 20 30 FGEDHM Cc1ccc(C)c(N=C2NN=C(c3ccc(-c4nn[n-]n4)cc3)CS2)c1 ZINC000822231892 606632463 /nfs/dbraw/zinc/63/24/63/606632463.db2.gz LGUBQTXKZKJQHZ-UHFFFAOYSA-N -1 3 363.450 3.212 20 30 FGEDHM FC(F)(F)c1ccc(C#CCSc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000822723225 606638145 /nfs/dbraw/zinc/63/81/45/606638145.db2.gz ANANNIDSVSDZAS-UHFFFAOYSA-N -1 3 361.352 3.424 20 30 FGEDHM FC(F)(F)c1ccc(C#CCSc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000822723225 606638146 /nfs/dbraw/zinc/63/81/46/606638146.db2.gz ANANNIDSVSDZAS-UHFFFAOYSA-N -1 3 361.352 3.424 20 30 FGEDHM CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)s1 ZINC000819958049 606958563 /nfs/dbraw/zinc/95/85/63/606958563.db2.gz HELIFLFIZAYAJO-UHFFFAOYSA-N -1 3 352.423 3.350 20 30 FGEDHM CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)s1 ZINC000819958049 606958565 /nfs/dbraw/zinc/95/85/65/606958565.db2.gz HELIFLFIZAYAJO-UHFFFAOYSA-N -1 3 352.423 3.350 20 30 FGEDHM N#Cc1cccc(-c2nnc(CSc3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000822837661 607013761 /nfs/dbraw/zinc/01/37/61/607013761.db2.gz QLROVQMFQPNFEE-UHFFFAOYSA-N -1 3 361.390 3.081 20 30 FGEDHM N#Cc1cccc(-c2nnc(CSc3cccc(-c4nn[n-]n4)c3)o2)c1 ZINC000822837661 607013762 /nfs/dbraw/zinc/01/37/62/607013762.db2.gz QLROVQMFQPNFEE-UHFFFAOYSA-N -1 3 361.390 3.081 20 30 FGEDHM N#Cc1ccc(-c2nnc(CSc3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000822823251 607015767 /nfs/dbraw/zinc/01/57/67/607015767.db2.gz NGMSKORSOKKACV-UHFFFAOYSA-N -1 3 361.390 3.081 20 30 FGEDHM N#Cc1ccc(-c2nnc(CSc3cccc(-c4nn[n-]n4)c3)o2)cc1 ZINC000822823251 607015770 /nfs/dbraw/zinc/01/57/70/607015770.db2.gz NGMSKORSOKKACV-UHFFFAOYSA-N -1 3 361.390 3.081 20 30 FGEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cc(F)c(F)cc1F ZINC000823503348 607123332 /nfs/dbraw/zinc/12/33/32/607123332.db2.gz DFXRQWGHRCGLHK-POHAHGRESA-N -1 3 356.307 3.497 20 30 FGEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cc(F)c(F)cc1F ZINC000823503348 607123334 /nfs/dbraw/zinc/12/33/34/607123334.db2.gz DFXRQWGHRCGLHK-POHAHGRESA-N -1 3 356.307 3.497 20 30 FGEDHM Cc1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c(Cl)cc1F ZINC000822175947 607144243 /nfs/dbraw/zinc/14/42/43/607144243.db2.gz CDJMSDKJAFWGRM-UHFFFAOYSA-N -1 3 356.748 3.092 20 30 FGEDHM Cc1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c(Cl)cc1F ZINC000822175947 607144244 /nfs/dbraw/zinc/14/42/44/607144244.db2.gz CDJMSDKJAFWGRM-UHFFFAOYSA-N -1 3 356.748 3.092 20 30 FGEDHM C(=NNCc1cccc2cccnc21)c1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000819718924 607146359 /nfs/dbraw/zinc/14/63/59/607146359.db2.gz UTXJOKSTUFLWBR-UHFFFAOYSA-N -1 3 368.404 3.020 20 30 FGEDHM C(=NNCc1cccc2cccnc21)c1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000819718924 607146361 /nfs/dbraw/zinc/14/63/61/607146361.db2.gz UTXJOKSTUFLWBR-UHFFFAOYSA-N -1 3 368.404 3.020 20 30 FGEDHM C[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000820379554 607197129 /nfs/dbraw/zinc/19/71/29/607197129.db2.gz CYNRFPXVVIARFX-SNVBAGLBSA-N -1 3 367.800 3.274 20 30 FGEDHM C[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000820379554 607197130 /nfs/dbraw/zinc/19/71/30/607197130.db2.gz CYNRFPXVVIARFX-SNVBAGLBSA-N -1 3 367.800 3.274 20 30 FGEDHM CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000821609844 607200080 /nfs/dbraw/zinc/20/00/80/607200080.db2.gz OLIWMQMEXXRITI-UHFFFAOYSA-N -1 3 367.800 3.056 20 30 FGEDHM CN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000821609844 607200081 /nfs/dbraw/zinc/20/00/81/607200081.db2.gz OLIWMQMEXXRITI-UHFFFAOYSA-N -1 3 367.800 3.056 20 30 FGEDHM C=CCOc1ccccc1C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000819759059 607241296 /nfs/dbraw/zinc/24/12/96/607241296.db2.gz MZOFYWHWCLOTQB-UHFFFAOYSA-N -1 3 355.785 3.337 20 30 FGEDHM C=CCOc1ccccc1C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000819759059 607241297 /nfs/dbraw/zinc/24/12/97/607241297.db2.gz MZOFYWHWCLOTQB-UHFFFAOYSA-N -1 3 355.785 3.337 20 30 FGEDHM C[C@H](Cc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000824457324 607829764 /nfs/dbraw/zinc/82/97/64/607829764.db2.gz JYBGXQRBYAZHIM-LLVKDONJSA-N -1 3 366.812 3.209 20 30 FGEDHM C[C@H](Cc1ccccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000824457324 607829765 /nfs/dbraw/zinc/82/97/65/607829765.db2.gz JYBGXQRBYAZHIM-LLVKDONJSA-N -1 3 366.812 3.209 20 30 FGEDHM Fc1ccc(NN=Cc2ccccc2-c2nnn[n-]2)c(Br)c1 ZINC000826375596 607886213 /nfs/dbraw/zinc/88/62/13/607886213.db2.gz UJFBRJZIOZWUHI-UHFFFAOYSA-N -1 3 361.178 3.214 20 30 FGEDHM Fc1ccc(NN=Cc2ccccc2-c2nn[n-]n2)c(Br)c1 ZINC000826375596 607886214 /nfs/dbraw/zinc/88/62/14/607886214.db2.gz UJFBRJZIOZWUHI-UHFFFAOYSA-N -1 3 361.178 3.214 20 30 FGEDHM CC(=Cc1ccccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000823942273 607925926 /nfs/dbraw/zinc/92/59/26/607925926.db2.gz ABXKYUCQVDGGQJ-DHZHZOJOSA-N -1 3 364.796 3.434 20 30 FGEDHM CC(=Cc1ccccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000823942273 607925927 /nfs/dbraw/zinc/92/59/27/607925927.db2.gz ABXKYUCQVDGGQJ-DHZHZOJOSA-N -1 3 364.796 3.434 20 30 FGEDHM C=C[C@H](CC(=O)OCCOc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823882981 607980656 /nfs/dbraw/zinc/98/06/56/607980656.db2.gz HLUVTNXGAVXNJN-OAHLLOKOSA-N -1 3 364.405 3.149 20 30 FGEDHM O=C1c2ccc(Br)cc2CC1=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826475918 608015678 /nfs/dbraw/zinc/01/56/78/608015678.db2.gz WDVVWZRHRYGTEJ-QPEQYQDCSA-N -1 3 367.206 3.452 20 30 FGEDHM O=C1c2ccc(Br)cc2CC1=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826475918 608015679 /nfs/dbraw/zinc/01/56/79/608015679.db2.gz WDVVWZRHRYGTEJ-QPEQYQDCSA-N -1 3 367.206 3.452 20 30 FGEDHM O=C1C(=Cc2ccn(-c3ccccc3)n2)CCc2cc(-c3nnn[n-]3)ccc21 ZINC000826477114 608288433 /nfs/dbraw/zinc/28/84/33/608288433.db2.gz VVZXTLZUFWAVNX-SQFISAMPSA-N -1 3 368.400 3.265 20 30 FGEDHM O=C1C(=Cc2ccn(-c3ccccc3)n2)CCc2cc(-c3nn[n-]n3)ccc21 ZINC000826477114 608288435 /nfs/dbraw/zinc/28/84/35/608288435.db2.gz VVZXTLZUFWAVNX-SQFISAMPSA-N -1 3 368.400 3.265 20 30 FGEDHM N#Cc1cccc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)c1F ZINC000826386541 608396806 /nfs/dbraw/zinc/39/68/06/608396806.db2.gz JEMAFOHBSKLMSE-UHFFFAOYSA-N -1 3 366.425 3.444 20 30 FGEDHM N#Cc1cccc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)c1F ZINC000826386541 608396808 /nfs/dbraw/zinc/39/68/08/608396808.db2.gz JEMAFOHBSKLMSE-UHFFFAOYSA-N -1 3 366.425 3.444 20 30 FGEDHM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cccc(OC)c1 ZINC000825029264 608533511 /nfs/dbraw/zinc/53/35/11/608533511.db2.gz PYBLLRGHDFOZLW-UHFFFAOYSA-N -1 3 357.805 3.150 20 30 FGEDHM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccc(OC)c1 ZINC000825029264 608533512 /nfs/dbraw/zinc/53/35/12/608533512.db2.gz PYBLLRGHDFOZLW-UHFFFAOYSA-N -1 3 357.805 3.150 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC000826380228 608749074 /nfs/dbraw/zinc/74/90/74/608749074.db2.gz RTAOBGXRKIFKPD-HZPDHXFCSA-N -1 3 350.451 3.200 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1ccc(-c2nn[n-]n2)s1 ZINC000826380228 608749075 /nfs/dbraw/zinc/74/90/75/608749075.db2.gz RTAOBGXRKIFKPD-HZPDHXFCSA-N -1 3 350.451 3.200 20 30 FGEDHM CC(N=Nc1ncccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823962410 609159785 /nfs/dbraw/zinc/15/97/85/609159785.db2.gz KFBORGWVTBVERI-UHFFFAOYSA-N -1 3 365.294 3.256 20 30 FGEDHM CC(N=Nc1ncccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823962410 609159787 /nfs/dbraw/zinc/15/97/87/609159787.db2.gz KFBORGWVTBVERI-UHFFFAOYSA-N -1 3 365.294 3.256 20 30 FGEDHM CCCCCCC[C@@H](C)CNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825271550 609208970 /nfs/dbraw/zinc/20/89/70/609208970.db2.gz KYWZXUCWBFXJKH-PBHICJAKSA-N -1 3 359.474 3.013 20 30 FGEDHM CCCCCCC[C@@H](C)CNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825271550 609208972 /nfs/dbraw/zinc/20/89/72/609208972.db2.gz KYWZXUCWBFXJKH-PBHICJAKSA-N -1 3 359.474 3.013 20 30 FGEDHM O=C(C=CC=Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC000826399821 609270639 /nfs/dbraw/zinc/27/06/39/609270639.db2.gz HARHEBCCUNRTJZ-JHMJBTLWSA-N -1 3 365.324 3.366 20 30 FGEDHM O=C(C=CC=Cc1ccccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1F ZINC000826399821 609270641 /nfs/dbraw/zinc/27/06/41/609270641.db2.gz HARHEBCCUNRTJZ-JHMJBTLWSA-N -1 3 365.324 3.366 20 30 FGEDHM O=C(C=Cc1ccc(-n2cccn2)cc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400317 609272246 /nfs/dbraw/zinc/27/22/46/609272246.db2.gz VOOJIGYZAZSGPY-WTKPLQERSA-N -1 3 360.352 3.088 20 30 FGEDHM O=C(C=Cc1ccc(-n2cccn2)cc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400317 609272248 /nfs/dbraw/zinc/27/22/48/609272248.db2.gz VOOJIGYZAZSGPY-WTKPLQERSA-N -1 3 360.352 3.088 20 30 FGEDHM COc1ccccc1C=CC=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826218755 609274249 /nfs/dbraw/zinc/27/42/49/609274249.db2.gz KGOCOAJYDUHVGJ-XATRDHJGSA-N -1 3 350.353 3.467 20 30 FGEDHM COc1ccccc1C=CC=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826218755 609274251 /nfs/dbraw/zinc/27/42/51/609274251.db2.gz KGOCOAJYDUHVGJ-XATRDHJGSA-N -1 3 350.353 3.467 20 30 FGEDHM COc1ccccc1C=CC=CC(=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000826218754 609274409 /nfs/dbraw/zinc/27/44/09/609274409.db2.gz KGOCOAJYDUHVGJ-JHMJBTLWSA-N -1 3 350.353 3.467 20 30 FGEDHM COc1ccccc1C=CC=CC(=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000826218754 609274410 /nfs/dbraw/zinc/27/44/10/609274410.db2.gz KGOCOAJYDUHVGJ-JHMJBTLWSA-N -1 3 350.353 3.467 20 30 FGEDHM Cc1ccoc1C(=O)C=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826315180 609309436 /nfs/dbraw/zinc/30/94/36/609309436.db2.gz APQLNYPJLPZYPQ-FPLPWBNLSA-N -1 3 360.377 3.065 20 30 FGEDHM Cc1ccoc1C(=O)C=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826315180 609309438 /nfs/dbraw/zinc/30/94/38/609309438.db2.gz APQLNYPJLPZYPQ-FPLPWBNLSA-N -1 3 360.377 3.065 20 30 FGEDHM COc1ccc(C=C2CCOc3cc(F)ccc3C2=O)cc1-c1nnn[n-]1 ZINC000826190815 609371275 /nfs/dbraw/zinc/37/12/75/609371275.db2.gz NZDSLCIXIVMGPQ-WQLSENKSSA-N -1 3 366.352 3.063 20 30 FGEDHM COc1ccc(C=C2CCOc3cc(F)ccc3C2=O)cc1-c1nn[n-]n1 ZINC000826190815 609371276 /nfs/dbraw/zinc/37/12/76/609371276.db2.gz NZDSLCIXIVMGPQ-WQLSENKSSA-N -1 3 366.352 3.063 20 30 FGEDHM CC(=NNc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000823958361 609447909 /nfs/dbraw/zinc/44/79/09/609447909.db2.gz LIXANGCUVIURPV-UHFFFAOYSA-N -1 3 357.761 3.264 20 30 FGEDHM CC(=NNc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cc1Cl ZINC000823958361 609447911 /nfs/dbraw/zinc/44/79/11/609447911.db2.gz LIXANGCUVIURPV-UHFFFAOYSA-N -1 3 357.761 3.264 20 30 FGEDHM CC(C)Oc1ccc(NCc2cccc(-c3nnn[n-]3)c2F)cc1C#N ZINC000824329405 609479993 /nfs/dbraw/zinc/47/99/93/609479993.db2.gz OWSOQROXHHQVDB-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM CC(C)Oc1ccc(NCc2cccc(-c3nn[n-]n3)c2F)cc1C#N ZINC000824329405 609479994 /nfs/dbraw/zinc/47/99/94/609479994.db2.gz OWSOQROXHHQVDB-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCc1ccc(F)cc1Cl ZINC000017223480 695633384 /nfs/dbraw/zinc/63/33/84/695633384.db2.gz DREIDGIDDSOXJS-UHFFFAOYSA-N -1 3 362.788 3.332 20 30 FGEDHM N#CCOc1cc(F)ccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000122393282 700689058 /nfs/dbraw/zinc/68/90/58/700689058.db2.gz WIQVKNWLVJPROC-UHFFFAOYSA-N -1 3 358.394 3.457 20 30 FGEDHM COc1cc(C(=O)/C=C/c2nccn2CC(F)(F)F)c(OC)cc1[O-] ZINC000122495234 700691035 /nfs/dbraw/zinc/69/10/35/700691035.db2.gz LFLPHVKKXDDJRX-ONEGZZNKSA-N -1 3 356.300 3.064 20 30 FGEDHM CC(C)(C)c1cc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)n[nH]1 ZINC000130252938 700798616 /nfs/dbraw/zinc/79/86/16/700798616.db2.gz YYHWUHWYPDRRQB-SNVBAGLBSA-N -1 3 362.792 3.461 20 30 FGEDHM Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1ccc(N2CCSCC2)cc1 ZINC000157843413 705165987 /nfs/dbraw/zinc/16/59/87/705165987.db2.gz QLBIGLHBNZVLBO-UHFFFAOYSA-N -1 3 373.503 3.221 20 30 FGEDHM COc1csc(C([O-])=C(C#N)C(=O)Nc2ccc(OC)c(Cl)c2)c1 ZINC000177601683 705630011 /nfs/dbraw/zinc/63/00/11/705630011.db2.gz FIIPKMVXTZNGAA-NSHDSACASA-N -1 3 364.810 3.380 20 30 FGEDHM C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000263200294 713740391 /nfs/dbraw/zinc/74/03/91/713740391.db2.gz XDCHTIUFBBZTRO-HOTGVXAUSA-N -1 3 364.511 3.228 20 30 FGEDHM C#C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(C)C ZINC000302251752 713782956 /nfs/dbraw/zinc/78/29/56/713782956.db2.gz AIBFHVBEGXJWKJ-LLVKDONJSA-N -1 3 350.665 3.039 20 30 FGEDHM C=CC[C@@H]1CCCN(C(=O)N=c2[n-]n(CC(F)(F)F)cc2Cl)C1 ZINC000640303151 717719168 /nfs/dbraw/zinc/71/91/68/717719168.db2.gz PODAHOKWNSBJGQ-SNVBAGLBSA-N -1 3 350.772 3.341 20 30 FGEDHM C[C@H]1c2c(c([O-])ccc2F)C(=O)/C1=C/c1cc(Br)nn1C ZINC000782324235 724653447 /nfs/dbraw/zinc/65/34/47/724653447.db2.gz XYLULXYWGAKAGW-AJQDLKILSA-N -1 3 351.175 3.411 20 30 FGEDHM CCSc1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)cn1 ZINC000727954783 722448865 /nfs/dbraw/zinc/44/88/65/722448865.db2.gz VGCULNJFXKXPTM-ZDUSSCGKSA-N -1 3 355.419 3.163 20 30 FGEDHM Cn1nc(C([O-])=C(C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc1C1CC1 ZINC000744033049 722572938 /nfs/dbraw/zinc/57/29/38/722572938.db2.gz QPBZRRBCQAQUTM-NSHDSACASA-N -1 3 360.776 3.051 20 30 FGEDHM Cc1cc(C=NN2CC(=O)[N-]C2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000744810073 722580618 /nfs/dbraw/zinc/58/06/18/722580618.db2.gz IKKZWENJNRDBNR-UHFFFAOYSA-N -1 3 365.220 3.287 20 30 FGEDHM Cc1sc2[n-]c([C@@H](C)OC(=O)c3cc(C#N)cn3C)nc(=O)c2c1C ZINC000751723554 722823398 /nfs/dbraw/zinc/82/33/98/722823398.db2.gz BQHVVCCIUUOIGT-SECBINFHSA-N -1 3 356.407 3.142 20 30 FGEDHM Cc1ccnc(Br)c1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000760893557 723102187 /nfs/dbraw/zinc/10/21/87/723102187.db2.gz KMOWCDLQOMIKBV-UHFFFAOYSA-N -1 3 366.240 3.133 20 30 FGEDHM COc1ccc(CN=Nc2ccc(Cl)nn2)c(Br)c1[O-] ZINC000760997301 723111112 /nfs/dbraw/zinc/11/11/12/723111112.db2.gz OGVJLTQFVXVPAQ-UHFFFAOYSA-N -1 3 357.595 3.053 20 30 FGEDHM COc1cc(C)c(Br)cc1N=Cc1c([O-])c(C)ncc1CO ZINC000764886498 723456507 /nfs/dbraw/zinc/45/65/07/723456507.db2.gz ALLRMEUPDHYCAY-UHFFFAOYSA-N -1 3 365.227 3.418 20 30 FGEDHM COC(=O)Nc1ccc(C(=O)OCc2ccc(Cl)cc2C#N)cc1[O-] ZINC000772164065 723752727 /nfs/dbraw/zinc/75/27/27/723752727.db2.gz CTWNZJRFYJNCOU-UHFFFAOYSA-N -1 3 360.753 3.453 20 30 FGEDHM C=C[C@@H](OC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1)C(C)(C)C ZINC000798902667 723973699 /nfs/dbraw/zinc/97/36/99/723973699.db2.gz HBTXKXYRWYNWFM-MRXNPFEDSA-N -1 3 369.483 3.359 20 30 FGEDHM CCCCCCCCc1nnc([N-]C(=O)c2cnc3n[nH]nc3c2)s1 ZINC000777795245 724258504 /nfs/dbraw/zinc/25/85/04/724258504.db2.gz QIUGPBWREDUKRA-UHFFFAOYSA-N -1 3 359.459 3.360 20 30 FGEDHM C[C@@H](OC(=O)c1cc2occc2[n-]1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000786031056 724954982 /nfs/dbraw/zinc/95/49/82/724954982.db2.gz IIAZJPWDCZMKMF-SECBINFHSA-N -1 3 357.753 3.470 20 30 FGEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1cc(Cl)ccc1F ZINC000811188308 725349584 /nfs/dbraw/zinc/34/95/84/725349584.db2.gz ZVMWMPKUBKLCSG-SECBINFHSA-N -1 3 362.744 3.240 20 30 FGEDHM CC1(C)CC(=N[N-]S(=O)(=O)Cc2ccccc2)c2sccc2O1 ZINC000814816066 727003184 /nfs/dbraw/zinc/00/31/84/727003184.db2.gz JBAUCQAWKHOYKW-UHFFFAOYSA-N -1 3 350.465 3.133 20 30 FGEDHM O=C([N-]Cc1noc(C(F)(F)F)n1)[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000819564960 727382597 /nfs/dbraw/zinc/38/25/97/727382597.db2.gz SIAXMGUMZCVWDN-SECBINFHSA-N -1 3 371.212 3.434 20 30 FGEDHM C=CCCCC(=O)Nc1ccn(-c2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000823894873 729311632 /nfs/dbraw/zinc/31/16/32/729311632.db2.gz YUOKOLXEAPLBTN-UHFFFAOYSA-N -1 3 357.805 3.001 20 30 FGEDHM C=CCCOCCCCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000823899222 729311814 /nfs/dbraw/zinc/31/18/14/729311814.db2.gz QPGLCFCMDLJYTM-UHFFFAOYSA-N -1 3 361.471 3.118 20 30 FGEDHM C=CCCOCCCCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000823899222 729311817 /nfs/dbraw/zinc/31/18/17/729311817.db2.gz QPGLCFCMDLJYTM-UHFFFAOYSA-N -1 3 361.471 3.118 20 30 FGEDHM C=CCN(CC=C)C(=O)[C@H](C)Sc1cccc(Cl)c1-c1nnn[n-]1 ZINC000823904299 729312411 /nfs/dbraw/zinc/31/24/11/729312411.db2.gz ZZGXBHPOLVIFMU-NSHDSACASA-N -1 3 363.874 3.201 20 30 FGEDHM C=CCN(CC=C)C(=O)[C@H](C)Sc1cccc(Cl)c1-c1nn[n-]n1 ZINC000823904299 729312412 /nfs/dbraw/zinc/31/24/12/729312412.db2.gz ZZGXBHPOLVIFMU-NSHDSACASA-N -1 3 363.874 3.201 20 30 FGEDHM CCOc1cc(C=NN[C@@H](C)C(F)(F)F)cc(Br)c1[O-] ZINC000834996112 729849071 /nfs/dbraw/zinc/84/90/71/729849071.db2.gz OBZJVZSBOFXKED-ZETCQYMHSA-N -1 3 355.154 3.428 20 30 FGEDHM CCCCCCCCCS(=O)(=O)[N-]c1ccc(-n2cncn2)cn1 ZINC000844825518 730775526 /nfs/dbraw/zinc/77/55/26/730775526.db2.gz LXSIPKJJBCWTCJ-UHFFFAOYSA-N -1 3 351.476 3.155 20 30 FGEDHM C[C@@]1(CC[N-]S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@]1(F)Cl ZINC000845977163 730914357 /nfs/dbraw/zinc/91/43/57/730914357.db2.gz VBJLOUHWRRTUMH-OLZOCXBDSA-N -1 3 351.230 3.195 20 30 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COc1cccc(CO[C@H](C)C(=O)Nc2n[n-]c(-c3ccccn3)n2)c1 ZINC000053527502 494142315 /nfs/dbraw/zinc/14/23/15/494142315.db2.gz RMRMBECOKMXZDL-GFCCVEGCSA-N -1 3 353.382 3.069 20 30 FGEDHM N#CC(=C([O-])c1cccc(C(N)=O)c1)c1nc2ccccc2n1C(F)F ZINC000041556910 494168347 /nfs/dbraw/zinc/16/83/47/494168347.db2.gz MNYKEGCTTZHZJO-LBPRGKRZSA-N -1 3 354.316 3.020 20 30 FGEDHM CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000065931003 494257028 /nfs/dbraw/zinc/25/70/28/494257028.db2.gz MZTZOBBTQOZGCA-UHFFFAOYSA-N -1 3 374.444 3.016 20 30 FGEDHM CCOc1cc(/C=C/C(=O)c2cn(C)nc2C)cc(Br)c1[O-] ZINC000054806614 494272994 /nfs/dbraw/zinc/27/29/94/494272994.db2.gz GGDUHVORYUIGAV-AATRIKPKSA-N -1 3 365.227 3.491 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCc2cc(F)cc(F)c21 ZINC000043267612 494280727 /nfs/dbraw/zinc/28/07/27/494280727.db2.gz CGEXIBBOQKNSLZ-UHFFFAOYSA-N -1 3 371.387 3.054 20 30 FGEDHM Cc1ccc2cccc(NC(=O)CCc3c(C)[n-]c(=O)c(C#N)c3C)c2n1 ZINC000066462576 494340066 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FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)c2ccncc2)c(F)c1 ZINC000151106881 495738704 /nfs/dbraw/zinc/73/87/04/495738704.db2.gz YFTMQZFABYOHHH-IBGZPJMESA-N -1 3 367.405 3.160 20 30 FGEDHM Cc1[nH]c2ccccc2c1CC[N-]S(=O)(=O)c1ccc(C#N)cc1F ZINC000151140891 495750956 /nfs/dbraw/zinc/75/09/56/495750956.db2.gz QOOCQCQXCWGALJ-UHFFFAOYSA-N -1 3 357.410 3.008 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000182996143 495791285 /nfs/dbraw/zinc/79/12/85/495791285.db2.gz HOENDTHBFIHSSF-AWEZNQCLSA-N -1 3 371.403 3.279 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCOc3ccccc32)c(Cl)c1 ZINC000183621717 496052681 /nfs/dbraw/zinc/05/26/81/496052681.db2.gz HFTTVMFASKLSGN-OAHLLOKOSA-N -1 3 362.838 3.404 20 30 FGEDHM Cc1cnc([C@H](C)C[N-]S(=O)(=O)c2cccc(Cl)c2C#N)s1 ZINC000186730266 496126280 /nfs/dbraw/zinc/12/62/80/496126280.db2.gz RJDJYQOIYCBWDA-SECBINFHSA-N -1 3 355.872 3.059 20 30 FGEDHM CC[C@H]([N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)c1ccc(C)cc1 ZINC000156168200 496175578 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20 30 FGEDHM CC[C@H](C#N)Oc1cccc(CNc2ncc(-c3nn[n-]n3)cc2Cl)c1 ZINC000736308609 598871220 /nfs/dbraw/zinc/87/12/20/598871220.db2.gz FLPPFCQNUJAHFE-CYBMUJFWSA-N -1 3 369.816 3.208 20 30 FGEDHM C[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1F ZINC000735976314 598924355 /nfs/dbraw/zinc/92/43/55/598924355.db2.gz LBUGYXXHSKWSTG-NSHDSACASA-N -1 3 350.357 3.010 20 30 FGEDHM C[C@@H](CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1F ZINC000735976314 598924356 /nfs/dbraw/zinc/92/43/56/598924356.db2.gz LBUGYXXHSKWSTG-NSHDSACASA-N -1 3 350.357 3.010 20 30 FGEDHM N#Cc1ccc(NC(=O)C=Cc2ccc(Cl)cc2)cc1-c1nnn[n-]1 ZINC000737716976 598928533 /nfs/dbraw/zinc/92/85/33/598928533.db2.gz XVNIPKWYHZDVQP-BAQGIRSFSA-N -1 3 350.769 3.044 20 30 FGEDHM N#Cc1ccc(NC(=O)C=Cc2ccc(Cl)cc2)cc1-c1nn[n-]n1 ZINC000737716976 598928535 /nfs/dbraw/zinc/92/85/35/598928535.db2.gz XVNIPKWYHZDVQP-BAQGIRSFSA-N -1 3 350.769 3.044 20 30 FGEDHM CC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1sc(C(C)(C)C)nc1C ZINC000819773167 607254346 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COc1ccc(C=CC(=O)c2c(C)nn(C(C)C)c2C)cc1-c1nnn[n-]1 ZINC000737081355 599155502 /nfs/dbraw/zinc/15/55/02/599155502.db2.gz NPLFGTWWIKUKAF-VURMDHGXSA-N -1 3 366.425 3.166 20 30 FGEDHM COc1ccc(C=CC(=O)c2c(C)nn(C(C)C)c2C)cc1-c1nn[n-]n1 ZINC000737081355 599155504 /nfs/dbraw/zinc/15/55/04/599155504.db2.gz NPLFGTWWIKUKAF-VURMDHGXSA-N -1 3 366.425 3.166 20 30 FGEDHM N#Cc1ccc(NC(=O)Cc2csc3ccccc23)cc1-c1nnn[n-]1 ZINC000737715846 599195696 /nfs/dbraw/zinc/19/56/96/599195696.db2.gz FUCGCSNTOASYHG-UHFFFAOYSA-N -1 3 360.402 3.134 20 30 FGEDHM N#Cc1ccc(NC(=O)Cc2csc3ccccc23)cc1-c1nn[n-]n1 ZINC000737715846 599195698 /nfs/dbraw/zinc/19/56/98/599195698.db2.gz FUCGCSNTOASYHG-UHFFFAOYSA-N -1 3 360.402 3.134 20 30 FGEDHM CN(Cc1cccc(C#N)c1)c1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC000736822005 598275534 /nfs/dbraw/zinc/27/55/34/598275534.db2.gz JYNPAZOVZWVHHK-UHFFFAOYSA-N -1 3 358.327 3.394 20 30 FGEDHM CC(=[NH+][N-]c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(N)cc1 ZINC000735451204 598315562 /nfs/dbraw/zinc/31/55/62/598315562.db2.gz SZOYEBSBMKKUKH-UHFFFAOYSA-N -1 3 361.331 3.304 20 30 FGEDHM C#CCCOC(=O)c1ccccc1SCc1ccc(-c2nnn[n-]2)cc1 ZINC000735375427 598412207 /nfs/dbraw/zinc/41/22/07/598412207.db2.gz ZQLNSNOUTDIPRP-UHFFFAOYSA-N -1 3 364.430 3.339 20 30 FGEDHM C#CCCOC(=O)c1ccccc1SCc1ccc(-c2nn[n-]n2)cc1 ZINC000735375427 598412209 /nfs/dbraw/zinc/41/22/09/598412209.db2.gz ZQLNSNOUTDIPRP-UHFFFAOYSA-N -1 3 364.430 3.339 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1cccc(Cl)c1 ZINC000735421065 598495229 /nfs/dbraw/zinc/49/52/29/598495229.db2.gz XCNPSYNMBXVZRW-UHFFFAOYSA-N -1 3 367.840 3.277 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1cccc(Cl)c1 ZINC000735421065 598495230 /nfs/dbraw/zinc/49/52/30/598495230.db2.gz XCNPSYNMBXVZRW-UHFFFAOYSA-N -1 3 367.840 3.277 20 30 FGEDHM Cc1cc(C(=O)OCCCCC#N)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000737240362 598623093 /nfs/dbraw/zinc/62/30/93/598623093.db2.gz FOVYRPAUCVDNGD-UHFFFAOYSA-N -1 3 364.409 3.125 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1cc(C(C)C)on1 ZINC000819745442 599293715 /nfs/dbraw/zinc/29/37/15/599293715.db2.gz DCTZRVUFOHRGJO-UHFFFAOYSA-N -1 3 367.413 3.198 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1cc(C(C)C)on1 ZINC000819745442 599293718 /nfs/dbraw/zinc/29/37/18/599293718.db2.gz DCTZRVUFOHRGJO-UHFFFAOYSA-N -1 3 367.413 3.198 20 30 FGEDHM C=CCNC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819751156 599296748 /nfs/dbraw/zinc/29/67/48/599296748.db2.gz SIRLXHOBYLDWHO-UHFFFAOYSA-N -1 3 354.345 3.106 20 30 FGEDHM C=CCNC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819751156 599296750 /nfs/dbraw/zinc/29/67/50/599296750.db2.gz SIRLXHOBYLDWHO-UHFFFAOYSA-N -1 3 354.345 3.106 20 30 FGEDHM COc1ccc(C#N)cc1CNc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000821770928 607371989 /nfs/dbraw/zinc/37/19/89/607371989.db2.gz ZZMLKXTWQYPODS-UHFFFAOYSA-N -1 3 364.409 3.146 20 30 FGEDHM COc1ccc(C#N)cc1CNc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000821770928 607371990 /nfs/dbraw/zinc/37/19/90/607371990.db2.gz ZZMLKXTWQYPODS-UHFFFAOYSA-N -1 3 364.409 3.146 20 30 FGEDHM CC(C)Oc1ccc(NCc2ccc(F)c(-c3nnn[n-]3)c2)cc1C#N ZINC000820174813 607372893 /nfs/dbraw/zinc/37/28/93/607372893.db2.gz YMLFQDZZGDLPBX-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM CC(C)Oc1ccc(NCc2ccc(F)c(-c3nn[n-]n3)c2)cc1C#N ZINC000820174813 607372895 /nfs/dbraw/zinc/37/28/95/607372895.db2.gz YMLFQDZZGDLPBX-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM CCO[C@@H]1CC(N=Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1(C)C ZINC000736618017 599458335 /nfs/dbraw/zinc/45/83/35/599458335.db2.gz UDTAINMKWOSHPK-CYBMUJFWSA-N -1 3 368.363 3.488 20 30 FGEDHM CCO[C@@H]1CC(N=Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1(C)C ZINC000736618017 599458338 /nfs/dbraw/zinc/45/83/38/599458338.db2.gz UDTAINMKWOSHPK-CYBMUJFWSA-N -1 3 368.363 3.488 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nnn[n-]3)cn12)c1cccc(Cl)c1 ZINC000737807575 599462209 /nfs/dbraw/zinc/46/22/09/599462209.db2.gz PMHWRXZYCQLXJU-WAYWQWQTSA-N -1 3 350.769 3.064 20 30 FGEDHM O=C(C=Cc1cnc2ccc(-c3nn[n-]n3)cn12)c1cccc(Cl)c1 ZINC000737807575 599462210 /nfs/dbraw/zinc/46/22/10/599462210.db2.gz PMHWRXZYCQLXJU-WAYWQWQTSA-N -1 3 350.769 3.064 20 30 FGEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cncc(F)c1 ZINC000735450711 599534346 /nfs/dbraw/zinc/53/43/46/599534346.db2.gz CLFNMIPLRZGLFP-UHFFFAOYSA-N -1 3 365.294 3.256 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cncc(F)c1 ZINC000735450711 599534348 /nfs/dbraw/zinc/53/43/48/599534348.db2.gz CLFNMIPLRZGLFP-UHFFFAOYSA-N -1 3 365.294 3.256 20 30 FGEDHM C=C(C)CCOC(=O)c1ccc(COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000819722719 599626639 /nfs/dbraw/zinc/62/66/39/599626639.db2.gz PGXKUVIWJOYQNL-UHFFFAOYSA-N -1 3 354.366 3.162 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H](C)C[C@H](C)CC ZINC000819742954 599678236 /nfs/dbraw/zinc/67/82/36/599678236.db2.gz CGWZIJBRQKCYPB-CABCVRRESA-N -1 3 356.474 3.389 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H](C)C[C@H](C)CC ZINC000819742954 599678237 /nfs/dbraw/zinc/67/82/37/599678237.db2.gz CGWZIJBRQKCYPB-CABCVRRESA-N -1 3 356.474 3.389 20 30 FGEDHM CC[C@@H](C#N)Oc1cc(CN[C@H](C(=O)[O-])c2ccc(F)cc2)ccc1OC ZINC000736849818 600437982 /nfs/dbraw/zinc/43/79/82/600437982.db2.gz XFIKTIOYQZKCQQ-LPHOPBHVSA-N -1 3 372.396 3.431 20 30 FGEDHM CC[C@H](C#N)Oc1cc(CN[C@@H](C(=O)[O-])c2ccc(F)cc2)ccc1OC ZINC000736849821 600438010 /nfs/dbraw/zinc/43/80/10/600438010.db2.gz XFIKTIOYQZKCQQ-VQIMIIECSA-N -1 3 372.396 3.431 20 30 FGEDHM COc1cc(C)c([C@H](C)N[C@H](C(=O)[O-])c2cccc(C#N)c2)cc1OC ZINC000831962214 601301137 /nfs/dbraw/zinc/30/11/37/601301137.db2.gz XBUSMOBFCCMWGY-DJJJIMSYSA-N -1 3 354.406 3.360 20 30 FGEDHM N#Cc1cccc([C@H](C(=O)[O-])N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000833074394 601321181 /nfs/dbraw/zinc/32/11/81/601321181.db2.gz XELGULOUJWCPRR-IEBWSBKVSA-N -1 3 366.392 3.418 20 30 FGEDHM Cc1cc(C)n(-c2ccccc2CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)n1 ZINC000832881172 602131994 /nfs/dbraw/zinc/13/19/94/602131994.db2.gz ZJAUDSLXSFCNLF-HXUWFJFHSA-N -1 3 360.417 3.276 20 30 FGEDHM COc1ccc(CNc2ccc(C(F)(F)F)cc2C#N)cc1-c1nnn[n-]1 ZINC000826204104 607557961 /nfs/dbraw/zinc/55/79/61/607557961.db2.gz XQGMPVGGZBVJJN-UHFFFAOYSA-N -1 3 374.326 3.378 20 30 FGEDHM COc1ccc(CNc2ccc(C(F)(F)F)cc2C#N)cc1-c1nn[n-]n1 ZINC000826204104 607557963 /nfs/dbraw/zinc/55/79/63/607557963.db2.gz XQGMPVGGZBVJJN-UHFFFAOYSA-N -1 3 374.326 3.378 20 30 FGEDHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000825379980 607669860 /nfs/dbraw/zinc/66/98/60/607669860.db2.gz NEURQQZPTAOLEM-AWEZNQCLSA-N -1 3 360.421 3.270 20 30 FGEDHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000825379980 607669862 /nfs/dbraw/zinc/66/98/62/607669862.db2.gz NEURQQZPTAOLEM-AWEZNQCLSA-N -1 3 360.421 3.270 20 30 FGEDHM C=CCc1cc(CN2CCc3ccccc3[C@@H]2C(=O)[O-])cc(OC)c1O ZINC000833379599 604670405 /nfs/dbraw/zinc/67/04/05/604670405.db2.gz HVYUFLMGRYTOPV-LJQANCHMSA-N -1 3 353.418 3.313 20 30 FGEDHM Cc1cc(C=NNc2cccc(-c3nnn[n-]3)c2)ccc1Br ZINC000822198759 606036026 /nfs/dbraw/zinc/03/60/26/606036026.db2.gz JGBLQFAAUJCMPD-UHFFFAOYSA-N -1 3 357.215 3.384 20 30 FGEDHM Cc1cc(C=NNc2cccc(-c3nn[n-]n3)c2)ccc1Br ZINC000822198759 606036028 /nfs/dbraw/zinc/03/60/28/606036028.db2.gz JGBLQFAAUJCMPD-UHFFFAOYSA-N -1 3 357.215 3.384 20 30 FGEDHM FC(F)(F)Oc1ccc(NN=Cc2ccc(-c3nnn[n-]3)s2)cc1 ZINC000822718923 606369208 /nfs/dbraw/zinc/36/92/08/606369208.db2.gz VFUIDNHAKQVXRS-UHFFFAOYSA-N -1 3 354.317 3.273 20 30 FGEDHM Cc1cc(Br)ccc1NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000822161687 606370938 /nfs/dbraw/zinc/37/09/38/606370938.db2.gz SOXRKBQYIOCPLN-UHFFFAOYSA-N -1 3 363.244 3.445 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@H]1CCCN1Cc1cc(-c2nn[n-]n2)ccc1F ZINC000822801881 606452146 /nfs/dbraw/zinc/45/21/46/606452146.db2.gz PYSPUIYSXIYHGT-PKOBYXMFSA-N -1 3 362.412 3.278 20 30 FGEDHM C=C(C)CN(CC)C(=O)CSc1ccc(Cl)cc1-c1nnn[n-]1 ZINC000819722247 606627994 /nfs/dbraw/zinc/62/79/94/606627994.db2.gz FFGCJMUXXHTFRA-UHFFFAOYSA-N -1 3 351.863 3.037 20 30 FGEDHM C=C(C)CN(CC)C(=O)CSc1ccc(Cl)cc1-c1nn[n-]n1 ZINC000819722247 606627996 /nfs/dbraw/zinc/62/79/96/606627996.db2.gz FFGCJMUXXHTFRA-UHFFFAOYSA-N -1 3 351.863 3.037 20 30 FGEDHM C=C[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000819729092 606834227 /nfs/dbraw/zinc/83/42/27/606834227.db2.gz BVCGAJOHBJYGPX-GFCCVEGCSA-N -1 3 350.382 3.355 20 30 FGEDHM C=C[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000819729092 606834228 /nfs/dbraw/zinc/83/42/28/606834228.db2.gz BVCGAJOHBJYGPX-GFCCVEGCSA-N -1 3 350.382 3.355 20 30 FGEDHM C=C[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nnn[n-]2)c(F)c1 ZINC000819730295 606835098 /nfs/dbraw/zinc/83/50/98/606835098.db2.gz VLIIVRPSSKPTDS-LLVKDONJSA-N -1 3 368.372 3.494 20 30 FGEDHM C=C[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2-c2nn[n-]n2)c(F)c1 ZINC000819730295 606835100 /nfs/dbraw/zinc/83/51/00/606835100.db2.gz VLIIVRPSSKPTDS-LLVKDONJSA-N -1 3 368.372 3.494 20 30 FGEDHM CC(C)(C)c1ccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000819959108 607238088 /nfs/dbraw/zinc/23/80/88/607238088.db2.gz YQZBYRKNTUVNMS-UHFFFAOYSA-N -1 3 360.421 3.217 20 30 FGEDHM CC(C)(C)c1ccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000819959108 607238089 /nfs/dbraw/zinc/23/80/89/607238089.db2.gz YQZBYRKNTUVNMS-UHFFFAOYSA-N -1 3 360.421 3.217 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccccc2-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000826233995 607884384 /nfs/dbraw/zinc/88/43/84/607884384.db2.gz CSOJMZFWIVWNCD-QXMHVHEDSA-N -1 3 356.389 3.257 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccccc2-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000826233995 607884385 /nfs/dbraw/zinc/88/43/85/607884385.db2.gz CSOJMZFWIVWNCD-QXMHVHEDSA-N -1 3 356.389 3.257 20 30 FGEDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)c1cnn(Cc2ccccc2)c1 ZINC000826402671 607885674 /nfs/dbraw/zinc/88/56/74/607885674.db2.gz ZMMJLYYBLLYEBD-ZHACJKMWSA-N -1 3 356.389 3.008 20 30 FGEDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)c1cnn(Cc2ccccc2)c1 ZINC000826402671 607885675 /nfs/dbraw/zinc/88/56/75/607885675.db2.gz ZMMJLYYBLLYEBD-ZHACJKMWSA-N -1 3 356.389 3.008 20 30 FGEDHM Cc1csc(C=NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)n1 ZINC000826320806 607888645 /nfs/dbraw/zinc/88/86/45/607888645.db2.gz FLOJZPRWDFSMLO-UHFFFAOYSA-N -1 3 353.333 3.096 20 30 FGEDHM Cc1csc(C=NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)n1 ZINC000826320806 607888646 /nfs/dbraw/zinc/88/86/46/607888646.db2.gz FLOJZPRWDFSMLO-UHFFFAOYSA-N -1 3 353.333 3.096 20 30 FGEDHM CC#CCNC(=O)c1cccc(Oc2cccc(Cl)c2-c2nnn[n-]2)c1 ZINC000823944132 608102375 /nfs/dbraw/zinc/10/23/75/608102375.db2.gz YGWLQMRYYDSMIR-UHFFFAOYSA-N -1 3 367.796 3.066 20 30 FGEDHM C=CCC(CC=C)C(=O)Nc1cc(-c2nnn[n-]2)cc([N+](=O)[O-])c1Cl ZINC000823888089 608160361 /nfs/dbraw/zinc/16/03/61/608160361.db2.gz FUMULYMYPOQHAF-UHFFFAOYSA-N -1 3 362.777 3.135 20 30 FGEDHM C=CCC(CC=C)C(=O)Nc1cc(-c2nn[n-]n2)cc([N+](=O)[O-])c1Cl ZINC000823888089 608160363 /nfs/dbraw/zinc/16/03/63/608160363.db2.gz FUMULYMYPOQHAF-UHFFFAOYSA-N -1 3 362.777 3.135 20 30 FGEDHM CCC(=NNCc1ccc(-c2nnn[n-]2)cc1)c1cc(C)ccc1OC ZINC000825029578 608218145 /nfs/dbraw/zinc/21/81/45/608218145.db2.gz WWZNMWPOBXGGDJ-UHFFFAOYSA-N -1 3 350.426 3.088 20 30 FGEDHM CCC(=NNCc1ccc(-c2nn[n-]n2)cc1)c1cc(C)ccc1OC ZINC000825029578 608218147 /nfs/dbraw/zinc/21/81/47/608218147.db2.gz WWZNMWPOBXGGDJ-UHFFFAOYSA-N -1 3 350.426 3.088 20 30 FGEDHM C=CCN(C(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000823903503 608278061 /nfs/dbraw/zinc/27/80/61/608278061.db2.gz BWXFEETYMVOHEO-UHFFFAOYSA-N -1 3 360.421 3.401 20 30 FGEDHM CC(=NOC1CCCC1)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000823962056 608391992 /nfs/dbraw/zinc/39/19/92/608391992.db2.gz DNTWRRYBJVEPAN-UHFFFAOYSA-N -1 3 351.414 3.044 20 30 FGEDHM C[C@H]1CCc2c(F)cccc2C1N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824969395 608535638 /nfs/dbraw/zinc/53/56/38/608535638.db2.gz TYAKNMAFNVNTTH-VIFPVBQESA-N -1 3 371.807 3.453 20 30 FGEDHM C[C@H]1CCc2c(F)cccc2C1N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824969395 608535639 /nfs/dbraw/zinc/53/56/39/608535639.db2.gz TYAKNMAFNVNTTH-VIFPVBQESA-N -1 3 371.807 3.453 20 30 FGEDHM C=CCN(Cc1cnn(C(C)(C)C)c1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823914443 608632623 /nfs/dbraw/zinc/63/26/23/608632623.db2.gz IUPXAKSAAGKYOR-UHFFFAOYSA-N -1 3 351.458 3.006 20 30 FGEDHM Cn1cc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)c(C(C)(C)C)n1 ZINC000826359497 608754467 /nfs/dbraw/zinc/75/44/67/608754467.db2.gz IQJUMNIJBFGRFT-JLHYYAGUSA-N -1 3 362.437 3.110 20 30 FGEDHM Cn1cc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)c(C(C)(C)C)n1 ZINC000826359497 608754471 /nfs/dbraw/zinc/75/44/71/608754471.db2.gz IQJUMNIJBFGRFT-JLHYYAGUSA-N -1 3 362.437 3.110 20 30 FGEDHM O=C(/C=C\c1ccc(F)c(-c2nn[n-]n2)c1)c1c(Cl)nc2sccn21 ZINC000826400515 608880484 /nfs/dbraw/zinc/88/04/84/608880484.db2.gz ARBMDOHKIXNCFN-RQOWECAXSA-N -1 3 374.788 3.265 20 30 FGEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1ccc(F)cn1 ZINC000823958113 608882478 /nfs/dbraw/zinc/88/24/78/608882478.db2.gz CLBMQYBKCFNKOD-UHFFFAOYSA-N -1 3 365.294 3.256 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1ccc(F)cn1 ZINC000823958113 608882482 /nfs/dbraw/zinc/88/24/82/608882482.db2.gz CLBMQYBKCFNKOD-UHFFFAOYSA-N -1 3 365.294 3.256 20 30 FGEDHM O=C(C=Cc1nc2c(s1)CCCC2)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826403391 609133019 /nfs/dbraw/zinc/13/30/19/609133019.db2.gz QTAFYSPVYLSESC-BQYQJAHWSA-N -1 3 355.398 3.237 20 30 FGEDHM O=C(C=Cc1nc2c(s1)CCCC2)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826403391 609133021 /nfs/dbraw/zinc/13/30/21/609133021.db2.gz QTAFYSPVYLSESC-BQYQJAHWSA-N -1 3 355.398 3.237 20 30 FGEDHM COCCn1nc(C)c(C(=O)/C=C/c2cc(Cl)c([O-])c(OC)c2)c1C ZINC000122373548 700688610 /nfs/dbraw/zinc/68/86/10/700688610.db2.gz KCLKXFQMFRRZRI-AATRIKPKSA-N -1 3 364.829 3.410 20 30 FGEDHM CNC(=O)c1cccc(CC/N=C/c2cc(Br)ccc2[O-])c1 ZINC000126560216 700749860 /nfs/dbraw/zinc/74/98/60/700749860.db2.gz KEFAFCUDJRQGJL-RGVLZGJSSA-N -1 3 361.239 3.176 20 30 FGEDHM CNC(=O)COc1ccc(N=Cc2cc(Br)ccc2[O-])cc1 ZINC000255164241 713686444 /nfs/dbraw/zinc/68/64/44/713686444.db2.gz CWEAJSBZRRTECR-UHFFFAOYSA-N -1 3 363.211 3.030 20 30 FGEDHM O=C(NC1CCC(C(=O)NCc2nc(C(F)(F)F)n[n-]2)CC1)C1CC1 ZINC000330005453 713833747 /nfs/dbraw/zinc/83/37/47/713833747.db2.gz DGMHRKAKBSYZAB-UHFFFAOYSA-N -1 3 359.352 3.205 20 30 FGEDHM N#CCc1cccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)c1 ZINC000619462664 714838910 /nfs/dbraw/zinc/83/89/10/714838910.db2.gz YNSDNSGAGTUUAG-UHFFFAOYSA-N -1 3 372.837 3.393 20 30 FGEDHM C=CC(C)(C)CCNC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000626317131 715884060 /nfs/dbraw/zinc/88/40/60/715884060.db2.gz IYWWLAOMEPTWMT-UHFFFAOYSA-N -1 3 369.487 3.181 20 30 FGEDHM Cc1ncc(CO)c(/C=N\CCc2cn(C)c3cc(Cl)ccc23)c1[O-] ZINC000780150485 724451048 /nfs/dbraw/zinc/45/10/48/724451048.db2.gz VNKNNZOXQFDLDM-NKVSQWTQSA-N -1 3 357.841 3.395 20 30 FGEDHM C=CCCCCCN(C)C(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)C)c1 ZINC000739653323 722533608 /nfs/dbraw/zinc/53/36/08/722533608.db2.gz BPSLUKCMFHVMSM-UHFFFAOYSA-N -1 3 370.490 3.331 20 30 FGEDHM CC(=NNc1ccc(Cl)nc1)c1ccc([O-])c(CN2CCOCC2)c1 ZINC000743450462 722567644 /nfs/dbraw/zinc/56/76/44/722567644.db2.gz QQVIIJZOEMYAGO-UHFFFAOYSA-N -1 3 360.845 3.109 20 30 FGEDHM C#CCNC(=O)[C@@H](C)OC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000746077794 722593120 /nfs/dbraw/zinc/59/31/20/722593120.db2.gz BOEMEPDNNJSLHM-GFCCVEGCSA-N -1 3 357.793 3.007 20 30 FGEDHM CC(=NNC(=S)N[C@@H](C)C1CC1)c1ccc(Br)cc1[O-] ZINC000756827588 722970541 /nfs/dbraw/zinc/97/05/41/722970541.db2.gz PUDIRLWVBNAAFZ-QMMMGPOBSA-N -1 3 356.289 3.141 20 30 FGEDHM Cc1ncc(CO)c(/C=N/[C@H](C)Cc2ccccc2Br)c1[O-] ZINC000759644259 723013930 /nfs/dbraw/zinc/01/39/30/723013930.db2.gz QNFNZPAIVYZYDN-YXZFXQPTSA-N -1 3 363.255 3.401 20 30 FGEDHM Cc1n[n-]c(C)c1S(=O)(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000790251068 723117829 /nfs/dbraw/zinc/11/78/29/723117829.db2.gz GXPRGLYFPGEDQC-UHFFFAOYSA-N -1 3 353.403 3.333 20 30 FGEDHM CCc1ccc(NC(=O)C(C#N)=C([O-])c2sc3nccn3c2C)cc1 ZINC000769246925 723680625 /nfs/dbraw/zinc/68/06/25/723680625.db2.gz STDXSGVJVCPGCI-CQSZACIVSA-N -1 3 352.419 3.228 20 30 FGEDHM O=C1[N-]c2c(cc([N+](=O)[O-])cc2F)C1=NN=c1[nH]c2ccccc2s1 ZINC000774311336 723880326 /nfs/dbraw/zinc/88/03/26/723880326.db2.gz NAYUWDFXIOHMGS-UHFFFAOYSA-N -1 3 357.326 3.112 20 30 FGEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Cl)c1[O-] ZINC000775662333 724018721 /nfs/dbraw/zinc/01/87/21/724018721.db2.gz VSLGAMQEQDPMSE-UHFFFAOYSA-N -1 3 357.841 3.121 20 30 FGEDHM COc1ccc2c(c1)C(=N[N-]S(=O)(=O)Cc1ccccc1)CCS2 ZINC000786038476 724955474 /nfs/dbraw/zinc/95/54/74/724955474.db2.gz BKNYHFMRNVDQRO-UHFFFAOYSA-N -1 3 362.476 3.015 20 30 FGEDHM COc1cc(C([O-])=C(C#N)c2nc3ccccc3[nH]2)cnc1Br ZINC000788350770 725059551 /nfs/dbraw/zinc/05/95/51/725059551.db2.gz ZZZHGMIIALSXJH-SNVBAGLBSA-N -1 3 371.194 3.219 20 30 FGEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1cc(Cl)ccc1F ZINC000811188309 725349533 /nfs/dbraw/zinc/34/95/33/725349533.db2.gz ZVMWMPKUBKLCSG-VIFPVBQESA-N -1 3 362.744 3.240 20 30 FGEDHM CC(=O)[C@H](Cc1ccc(Cl)cc1F)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811186875 725349540 /nfs/dbraw/zinc/34/95/40/725349540.db2.gz BSEHWOPRJAIQGY-KRWDZBQOSA-N -1 3 361.756 3.413 20 30 FGEDHM CSc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811188798 725349823 /nfs/dbraw/zinc/34/98/23/725349823.db2.gz XYODERVXDASEBG-LLVKDONJSA-N -1 3 356.403 3.170 20 30 FGEDHM CCOc1cc(C=NNC[C@H]2CCSC2)cc(Br)c1[O-] ZINC000811660077 725375989 /nfs/dbraw/zinc/37/59/89/725375989.db2.gz GDLYQHXWKSAGHE-SNVBAGLBSA-N -1 3 359.289 3.230 20 30 FGEDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nnn[n-]2)cc1 ZINC000826401252 729407869 /nfs/dbraw/zinc/40/78/69/729407869.db2.gz TVYBHITXSDOUNS-SOFGYWHQSA-N -1 3 355.741 3.324 20 30 FGEDHM O=C(C=Cc1ccc([N+](=O)[O-])cc1Cl)c1ccc(-c2nn[n-]n2)cc1 ZINC000826401252 729407870 /nfs/dbraw/zinc/40/78/70/729407870.db2.gz TVYBHITXSDOUNS-SOFGYWHQSA-N -1 3 355.741 3.324 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OCC/C=C/Br ZINC000835797892 729918526 /nfs/dbraw/zinc/91/85/26/729918526.db2.gz MEKXKEYHWNXPLC-XVNBXDOJSA-N -1 3 353.216 3.050 20 30 FGEDHM Cn1nccc1[C@@H]1C[C@H](/N=C\c2cc(Br)ccc2[O-])CCO1 ZINC000840708656 730164666 /nfs/dbraw/zinc/16/46/66/730164666.db2.gz IBZLVAZTLMRBFS-CSBVUPFYSA-N -1 3 364.243 3.227 20 30 FGEDHM Cc1ncc(CO)c(C=Nc2ccc(N(C)C)c(C(F)(F)F)c2)c1[O-] ZINC000840713756 730164971 /nfs/dbraw/zinc/16/49/71/730164971.db2.gz VFNRBVYRHASVNZ-UHFFFAOYSA-N -1 3 353.344 3.423 20 30 FGEDHM O=C(N[C@@H]1CCCN([O-])C1=O)c1csc(-c2ccc(Cl)cc2)c1 ZINC000848131832 731134351 /nfs/dbraw/zinc/13/43/51/731134351.db2.gz DGQCRKSEHABXAX-CYBMUJFWSA-N -1 3 350.827 3.179 20 30 FGEDHM C#C[C@H]([N-]C(=O)C(F)(F)c1ccc(Br)cc1)C1CCOCC1 ZINC000856119747 731983765 /nfs/dbraw/zinc/98/37/65/731983765.db2.gz VXZOXEYBYLAOSN-AWEZNQCLSA-N -1 3 372.209 3.086 20 30 FGEDHM [O-]c1ccc(Br)cc1/C=N/C[C@@H]1CC2(CO1)CCOCC2 ZINC000864348616 733048641 /nfs/dbraw/zinc/04/86/41/733048641.db2.gz NNKKJGHDGGYQKS-RMNBPEERSA-N -1 3 354.244 3.159 20 30 FGEDHM C=CC(C)(C)CCCNC(=O)N1CCC(C[N-]C(=O)C(F)(F)F)CC1 ZINC000873114124 735721367 /nfs/dbraw/zinc/72/13/67/735721367.db2.gz VSNHAYXPGFXDBE-UHFFFAOYSA-N -1 3 363.424 3.079 20 30 FGEDHM C#CCN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C1CSC1 ZINC000878912259 736933284 /nfs/dbraw/zinc/93/32/84/736933284.db2.gz ALLZVNAAPNDAJV-UHFFFAOYSA-N -1 3 357.460 3.208 20 30 FGEDHM O=C(Nc1ccc(C(F)(F)F)c(F)c1)[C@H]1CC[C@@H](C(F)(F)F)[N-]C1=O ZINC000912835461 757382287 /nfs/dbraw/zinc/38/22/87/757382287.db2.gz JBNVNFPMVOAHNE-XCBNKYQSSA-N -1 3 372.240 3.240 20 30 FGEDHM CSc1ccc([O-])c(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)c1 ZINC000912926701 757402212 /nfs/dbraw/zinc/40/22/12/757402212.db2.gz FOBPYEBGOZDADF-UHFFFAOYSA-N -1 3 353.447 3.401 20 30 FGEDHM N#CC(=C([O-])c1cc[n+]([O-])cc1)c1nc2cc(C(F)(F)F)ccc2s1 ZINC000915104555 757879032 /nfs/dbraw/zinc/87/90/32/757879032.db2.gz RIUHZKLDYSNRJV-LLVKDONJSA-N -1 3 363.320 3.439 20 30 FGEDHM CCN1C(=O)C(=NN=Cc2cc(Br)ccc2[O-])c2ccccc21 ZINC000916276623 758061206 /nfs/dbraw/zinc/06/12/06/758061206.db2.gz KJHVJKQRMUBMFF-UHFFFAOYSA-N -1 3 372.222 3.344 20 30 FGEDHM CCOc1cc(C=Nn2c(C)nc3sccc3c2=O)cc(Cl)c1[O-] ZINC000917580525 758244155 /nfs/dbraw/zinc/24/41/55/758244155.db2.gz NXQPDJUUNJJLAQ-UHFFFAOYSA-N -1 3 363.826 3.406 20 30 FGEDHM COc1cc(Br)c(N=Cc2ccc(O)c([O-])c2O)cc1OC ZINC000920174151 758520909 /nfs/dbraw/zinc/52/09/09/758520909.db2.gz KJXWCWBUFHIPNS-UHFFFAOYSA-N -1 3 368.183 3.334 20 30 FGEDHM CO[C@H](c1ccccc1Cl)[C@@H](C)[N-]S(=O)(=O)CC1(C#N)CCC1 ZINC000576712354 505576562 /nfs/dbraw/zinc/57/65/62/505576562.db2.gz KUBORWRIGFYSJU-DOMZBBRYSA-N -1 3 356.875 3.029 20 30 FGEDHM N#Cc1cccc(OCCCCc2nc(-c3ccc4n[n-]nc4c3)no2)c1 ZINC000579906280 505642284 /nfs/dbraw/zinc/64/22/84/505642284.db2.gz ZUZFTJVJMIYINB-UHFFFAOYSA-N -1 3 360.377 3.281 20 30 FGEDHM Cc1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c([O-])c1 ZINC000076691425 493951874 /nfs/dbraw/zinc/95/18/74/493951874.db2.gz ZBWPPSGFESENHL-UHFFFAOYSA-N -1 3 351.406 3.366 20 30 FGEDHM C[C@@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)N(C)CCC#N ZINC000052424586 494023657 /nfs/dbraw/zinc/02/36/57/494023657.db2.gz ITUBQKZOSBOQHP-SNVBAGLBSA-N -1 3 365.459 3.273 20 30 FGEDHM CC1(C)Cc2cccc(OCC(=O)Nc3nnc(-c4ccccn4)[n-]3)c2O1 ZINC000063760364 494084593 /nfs/dbraw/zinc/08/45/93/494084593.db2.gz VXPVUKOYLHGKGY-UHFFFAOYSA-N -1 3 365.393 3.247 20 30 FGEDHM CC1(C)Cc2cccc(OCC(=O)Nc3nc(-c4ccccn4)n[n-]3)c2O1 ZINC000063760364 494084604 /nfs/dbraw/zinc/08/46/04/494084604.db2.gz VXPVUKOYLHGKGY-UHFFFAOYSA-N -1 3 365.393 3.247 20 30 FGEDHM CC1(C)Cc2cccc(OCC(=O)Nc3n[n-]c(-c4ccccn4)n3)c2O1 ZINC000063760364 494084608 /nfs/dbraw/zinc/08/46/08/494084608.db2.gz VXPVUKOYLHGKGY-UHFFFAOYSA-N -1 3 365.393 3.247 20 30 FGEDHM Cc1cc(C(=O)C(C(=S)[N-]C2CC2)[n+]2cc([O-])ccc2C)c(C)s1 ZINC000063850937 494093422 /nfs/dbraw/zinc/09/34/22/494093422.db2.gz COZIGANNZULYIG-UHFFFAOYSA-O -1 3 361.512 3.357 20 30 FGEDHM C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(Br)ccc1[O-] ZINC000085589896 494132653 /nfs/dbraw/zinc/13/26/53/494132653.db2.gz BVSBDKJJNXBFKJ-JTQLQIEISA-N -1 3 361.195 3.432 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](c2ccsc2)C[C@@H]1C ZINC000078199854 494255497 /nfs/dbraw/zinc/25/54/97/494255497.db2.gz ULTYPXJHJSMPNC-BLLLJJGKSA-N -1 3 369.490 3.262 20 30 FGEDHM CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2nnc(C(F)(F)F)[n-]2)C1 ZINC000043997107 494333841 /nfs/dbraw/zinc/33/38/41/494333841.db2.gz UDINOKDXWASYNE-MRVPVSSYSA-N -1 3 363.340 3.059 20 30 FGEDHM CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2nc(C(F)(F)F)n[n-]2)C1 ZINC000043997107 494333842 /nfs/dbraw/zinc/33/38/42/494333842.db2.gz UDINOKDXWASYNE-MRVPVSSYSA-N -1 3 363.340 3.059 20 30 FGEDHM CC1CCC(N2C[C@@H](C(=O)Nc3nnc(-c4ccco4)[n-]3)CC2=O)CC1 ZINC000066927481 494440029 /nfs/dbraw/zinc/44/00/29/494440029.db2.gz ZPISBNNMXGIWEO-CPCZMJQVSA-N -1 3 357.414 3.080 20 30 FGEDHM CC1CCC(N2C[C@@H](C(=O)Nc3nc(-c4ccco4)n[n-]3)CC2=O)CC1 ZINC000066927481 494440031 /nfs/dbraw/zinc/44/00/31/494440031.db2.gz ZPISBNNMXGIWEO-CPCZMJQVSA-N -1 3 357.414 3.080 20 30 FGEDHM CC1CCC(N2C[C@@H](C(=O)Nc3n[n-]c(-c4ccco4)n3)CC2=O)CC1 ZINC000066927481 494440032 /nfs/dbraw/zinc/44/00/32/494440032.db2.gz ZPISBNNMXGIWEO-CPCZMJQVSA-N -1 3 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ZINC000593533179 506673808 /nfs/dbraw/zinc/67/38/08/506673808.db2.gz YXWXKOOSJVRMQN-GFCCVEGCSA-N -1 3 350.465 3.446 20 30 FGEDHM CC(C)(C)Oc1ccc(C[N-]S(=O)(=O)c2ccsc2C#N)cc1 ZINC000593537504 506676640 /nfs/dbraw/zinc/67/66/40/506676640.db2.gz LOVQQOKEQGCOPZ-UHFFFAOYSA-N -1 3 350.465 3.276 20 30 FGEDHM N#Cc1sccc1S(=O)(=O)[N-][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000593574103 506689728 /nfs/dbraw/zinc/68/97/28/506689728.db2.gz ZFAWSVSVMPHMRO-GFCCVEGCSA-N -1 3 368.867 3.465 20 30 FGEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000593592254 506695274 /nfs/dbraw/zinc/69/52/74/506695274.db2.gz VCEMCWGPBRCMRK-AULYBMBSSA-N -1 3 352.868 3.498 20 30 FGEDHM Cc1cc(Br)sc1S(=O)(=O)[N-][C@H]1CC[C@@H](CC#N)C1 ZINC000593603782 506699985 /nfs/dbraw/zinc/69/99/85/506699985.db2.gz YDCPYGMJQBYQGM-UWVGGRQHSA-N -1 3 363.302 3.180 20 30 FGEDHM CN1CCc2c(cccc2[N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 ZINC000604490209 506847988 /nfs/dbraw/zinc/84/79/88/506847988.db2.gz BQQRJHPXPCUREQ-UHFFFAOYSA-N -1 3 361.854 3.000 20 30 FGEDHM N#Cc1ccc(CCC(=O)Nc2nnc(-c3ccc4ccccc4n3)[n-]2)cc1 ZINC000590556225 506858226 /nfs/dbraw/zinc/85/82/26/506858226.db2.gz BCDVYTDBPRQLRM-UHFFFAOYSA-N -1 3 368.400 3.463 20 30 FGEDHM N#Cc1ccc(CCC(=O)Nc2nc(-c3ccc4ccccc4n3)n[n-]2)cc1 ZINC000590556225 506858232 /nfs/dbraw/zinc/85/82/32/506858232.db2.gz BCDVYTDBPRQLRM-UHFFFAOYSA-N -1 3 368.400 3.463 20 30 FGEDHM N#Cc1ccc(CCC(=O)Nc2n[n-]c(-c3ccc4ccccc4n3)n2)cc1 ZINC000590556225 506858236 /nfs/dbraw/zinc/85/82/36/506858236.db2.gz BCDVYTDBPRQLRM-UHFFFAOYSA-N -1 3 368.400 3.463 20 30 FGEDHM CCC1(c2ccccc2)CN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C1 ZINC000590920944 507029556 /nfs/dbraw/zinc/02/95/56/507029556.db2.gz RFXAVTVNPWIXBO-UHFFFAOYSA-N -1 3 363.461 3.399 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CCCC2)c(F)c1 ZINC000610082417 507094114 /nfs/dbraw/zinc/09/41/14/507094114.db2.gz VUFINHMUTMSLQO-UHFFFAOYSA-N -1 3 358.438 3.488 20 30 FGEDHM CC(C)(C[N-]S(=O)(=O)c1ccc(C#N)cc1F)c1ccccc1F ZINC000610084302 507094197 /nfs/dbraw/zinc/09/41/97/507094197.db2.gz HBIINIFFRHZBOS-UHFFFAOYSA-N -1 3 350.390 3.093 20 30 FGEDHM CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3n2CC#N)c([O-])c1 ZINC000610139693 507114689 /nfs/dbraw/zinc/11/46/89/507114689.db2.gz HUYNBUFRLHSRHJ-UHFFFAOYSA-N -1 3 363.373 3.299 20 30 FGEDHM COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2cccc(C#N)c2)c1 ZINC000610339315 507201240 /nfs/dbraw/zinc/20/12/40/507201240.db2.gz PMUUEBFLWILVFH-NSHDSACASA-N -1 3 350.827 3.260 20 30 FGEDHM COc1ccc([C@@H](NCc2ccc(C3(C#N)CC3)cc2)C(=O)[O-])cc1F ZINC000594691095 507240638 /nfs/dbraw/zinc/24/06/38/507240638.db2.gz QNSZNTLPSSLYLD-GOSISDBHSA-N -1 3 354.381 3.305 20 30 FGEDHM CCC1([N-]S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CCOCC1 ZINC000594764632 507271437 /nfs/dbraw/zinc/27/14/37/507271437.db2.gz BXROHYOEGXUCJN-UHFFFAOYSA-N -1 3 364.492 3.319 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@H]1CS[C@H](C)C1 ZINC000594784282 507280762 /nfs/dbraw/zinc/28/07/62/507280762.db2.gz SAJPFYSOVYKUOV-BXKDBHETSA-N -1 3 352.506 3.254 20 30 FGEDHM Cc1c2cc(C#N)ccc2sc1S(=O)(=O)[N-][C@@H]1CCS[C@@H]1C ZINC000594797006 507284100 /nfs/dbraw/zinc/28/41/00/507284100.db2.gz RKPNOVCMAMRGDM-ZWNOBZJWSA-N -1 3 352.506 3.254 20 30 FGEDHM CCc1cccc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1[O-] ZINC000610578837 507300727 /nfs/dbraw/zinc/30/07/27/507300727.db2.gz KWDIDNSRLFGROX-IBGZPJMESA-N -1 3 367.424 3.116 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]C2(CCOCc3ccccc3)CC2)c(F)c1 ZINC000611167675 507543211 /nfs/dbraw/zinc/54/32/11/507543211.db2.gz RYRJNOOEKONQRU-UHFFFAOYSA-N -1 3 374.437 3.115 20 30 FGEDHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(OC(C)(C)C)c(C#N)c1)C(C)C ZINC000592353125 507613893 /nfs/dbraw/zinc/61/38/93/507613893.db2.gz WGQPAVDTWTZNRS-INIZCTEOSA-N -1 3 354.472 3.148 20 30 FGEDHM CC(=O)N1CCc2c(C#N)c([N-]C(=O)c3nc(C(C)C)oc3C)sc2C1 ZINC000598889680 507665356 /nfs/dbraw/zinc/66/53/56/507665356.db2.gz DAPFSAHDPREDSU-UHFFFAOYSA-N -1 3 372.450 3.197 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000735418598 598907298 /nfs/dbraw/zinc/90/72/98/598907298.db2.gz HNXXXVKGMKCBDF-GJZGRUSLSA-N -1 3 368.485 3.389 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000735418598 598907300 /nfs/dbraw/zinc/90/73/00/598907300.db2.gz HNXXXVKGMKCBDF-GJZGRUSLSA-N -1 3 368.485 3.389 20 30 FGEDHM CC(C)COc1cccc(C(=O)Nc2ccc(C#N)c(-c3nnn[n-]3)c2)c1 ZINC000735844475 598914847 /nfs/dbraw/zinc/91/48/47/598914847.db2.gz LIBJEJBFFVCGNK-UHFFFAOYSA-N -1 3 362.393 3.025 20 30 FGEDHM CC(C)COc1cccc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)c1 ZINC000735844475 598914849 /nfs/dbraw/zinc/91/48/49/598914849.db2.gz LIBJEJBFFVCGNK-UHFFFAOYSA-N -1 3 362.393 3.025 20 30 FGEDHM Cc1c2cccc(C)c2oc1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000737214775 598926726 /nfs/dbraw/zinc/92/67/26/598926726.db2.gz QUMNVDCDVSHMPG-UHFFFAOYSA-N -1 3 358.361 3.354 20 30 FGEDHM Cc1c2cccc(C)c2oc1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000737214775 598926727 /nfs/dbraw/zinc/92/67/27/598926727.db2.gz QUMNVDCDVSHMPG-UHFFFAOYSA-N -1 3 358.361 3.354 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1c(F)cc(F)cc1F ZINC000735420226 599073019 /nfs/dbraw/zinc/07/30/19/599073019.db2.gz NKDGIRLJRFMJOL-UHFFFAOYSA-N -1 3 373.338 3.112 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1c(F)cc(F)cc1F ZINC000735420226 599073022 /nfs/dbraw/zinc/07/30/22/599073022.db2.gz NKDGIRLJRFMJOL-UHFFFAOYSA-N -1 3 373.338 3.112 20 30 FGEDHM CC(=O)Nc1ccc(C=C2CCc3cc(-c4nnn[n-]4)ccc3C2=O)cc1 ZINC000819818781 599115112 /nfs/dbraw/zinc/11/51/12/599115112.db2.gz VMJDMZXGOHXDTI-XNTDXEJSSA-N -1 3 359.389 3.038 20 30 FGEDHM CC(=O)Nc1ccc(C=C2CCc3cc(-c4nn[n-]n4)ccc3C2=O)cc1 ZINC000819818781 599115115 /nfs/dbraw/zinc/11/51/15/599115115.db2.gz VMJDMZXGOHXDTI-XNTDXEJSSA-N -1 3 359.389 3.038 20 30 FGEDHM CCc1ccc([C@H](C)CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cc1 ZINC000736692181 599191697 /nfs/dbraw/zinc/19/16/97/599191697.db2.gz ZWLSWQPRBIVIDE-CYBMUJFWSA-N -1 3 360.421 3.433 20 30 FGEDHM CCc1ccc([C@H](C)CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cc1 ZINC000736692181 599191701 /nfs/dbraw/zinc/19/17/01/599191701.db2.gz ZWLSWQPRBIVIDE-CYBMUJFWSA-N -1 3 360.421 3.433 20 30 FGEDHM CC(C)=CCOc1cccc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000735680810 599193750 /nfs/dbraw/zinc/19/37/50/599193750.db2.gz ZKNUSQKFSOWTRB-UHFFFAOYSA-N -1 3 374.404 3.336 20 30 FGEDHM CC(C)=CCOc1cccc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000735680810 599193752 /nfs/dbraw/zinc/19/37/52/599193752.db2.gz ZKNUSQKFSOWTRB-UHFFFAOYSA-N -1 3 374.404 3.336 20 30 FGEDHM CC[C@H](Sc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736388956 599198729 /nfs/dbraw/zinc/19/87/29/599198729.db2.gz AAZNGRFKILIISG-INIZCTEOSA-N -1 3 364.434 3.248 20 30 FGEDHM CC[C@H](Sc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736388956 599198731 /nfs/dbraw/zinc/19/87/31/599198731.db2.gz AAZNGRFKILIISG-INIZCTEOSA-N -1 3 364.434 3.248 20 30 FGEDHM C[C@@H](C#N)COC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819856339 607323232 /nfs/dbraw/zinc/32/32/32/607323232.db2.gz IUCBKQRQUNMRGS-LBPRGKRZSA-N -1 3 365.418 3.334 20 30 FGEDHM C[C@@H](C#N)COC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819856339 607323233 /nfs/dbraw/zinc/32/32/33/607323233.db2.gz IUCBKQRQUNMRGS-LBPRGKRZSA-N -1 3 365.418 3.334 20 30 FGEDHM N#Cc1nccnc1Nc1ccc(Oc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737730889 598348875 /nfs/dbraw/zinc/34/88/75/598348875.db2.gz NQINCMDDERDIDE-UHFFFAOYSA-N -1 3 356.349 3.064 20 30 FGEDHM COc1ccc(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c(Cl)c1OC ZINC000737080589 598417592 /nfs/dbraw/zinc/41/75/92/598417592.db2.gz CWXFCKQGTVGNIT-CLFYSBASSA-N -1 3 370.796 3.433 20 30 FGEDHM COc1ccc(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c(Cl)c1OC ZINC000737080589 598417593 /nfs/dbraw/zinc/41/75/93/598417593.db2.gz CWXFCKQGTVGNIT-CLFYSBASSA-N -1 3 370.796 3.433 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Cc1cc(C)ccc1C ZINC000735420751 598540322 /nfs/dbraw/zinc/54/03/22/598540322.db2.gz SBEXDCRGMMCYGL-UHFFFAOYSA-N -1 3 361.449 3.241 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Cc1cc(C)ccc1C ZINC000735420751 598540325 /nfs/dbraw/zinc/54/03/25/598540325.db2.gz SBEXDCRGMMCYGL-UHFFFAOYSA-N -1 3 361.449 3.241 20 30 FGEDHM c1ccc(N=NCc2cccc(OCc3ccccc3-c3nn[n-]n3)c2)nc1 ZINC000735399334 598545703 /nfs/dbraw/zinc/54/57/03/598545703.db2.gz KOZNQQVNPYHBFD-UHFFFAOYSA-N -1 3 371.404 3.287 20 30 FGEDHM N#Cc1ccc(Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)cc2)nc1 ZINC000737721016 598552063 /nfs/dbraw/zinc/55/20/63/598552063.db2.gz FOPYMSSFEOLUPO-UHFFFAOYSA-N -1 3 369.388 3.456 20 30 FGEDHM N#Cc1ccc(Nc2ccc(OCc3cccc(-c4nn[n-]n4)c3)cc2)nc1 ZINC000737721016 598552065 /nfs/dbraw/zinc/55/20/65/598552065.db2.gz FOPYMSSFEOLUPO-UHFFFAOYSA-N -1 3 369.388 3.456 20 30 FGEDHM C=CCN(Cc1cccs1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735426095 598631551 /nfs/dbraw/zinc/63/15/51/598631551.db2.gz KHKIXFIHMMSHGS-UHFFFAOYSA-N -1 3 358.402 3.287 20 30 FGEDHM C=CCN(Cc1cccs1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735426095 598631553 /nfs/dbraw/zinc/63/15/53/598631553.db2.gz KHKIXFIHMMSHGS-UHFFFAOYSA-N -1 3 358.402 3.287 20 30 FGEDHM COc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737109996 598788824 /nfs/dbraw/zinc/78/88/24/598788824.db2.gz VWQLQNLFVKRFDS-SOFGYWHQSA-N -1 3 372.331 3.373 20 30 FGEDHM COc1ccc(OC(F)F)c(C=CC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737109996 598788826 /nfs/dbraw/zinc/78/88/26/598788826.db2.gz VWQLQNLFVKRFDS-SOFGYWHQSA-N -1 3 372.331 3.373 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](C)c1cccs1 ZINC000735419600 599543174 /nfs/dbraw/zinc/54/31/74/599543174.db2.gz XMBUQENHFPDFFB-CYBMUJFWSA-N -1 3 353.451 3.247 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](C)c1cccs1 ZINC000735419600 599543175 /nfs/dbraw/zinc/54/31/75/599543175.db2.gz XMBUQENHFPDFFB-CYBMUJFWSA-N -1 3 353.451 3.247 20 30 FGEDHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000820939746 599631855 /nfs/dbraw/zinc/63/18/55/599631855.db2.gz XPOVDSVXCYVPLZ-MJEQTWJJSA-N -1 3 368.441 3.051 20 30 FGEDHM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000820939746 599631856 /nfs/dbraw/zinc/63/18/56/599631856.db2.gz XPOVDSVXCYVPLZ-MJEQTWJJSA-N -1 3 368.441 3.051 20 30 FGEDHM CCCCNC(=O)c1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1 ZINC000736998093 600593540 /nfs/dbraw/zinc/59/35/40/600593540.db2.gz FDUAORBNQRPVFK-LJQANCHMSA-N -1 3 365.433 3.004 20 30 FGEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(-c3nnn[n-]3)cc1F)CO2 ZINC000822195088 607458191 /nfs/dbraw/zinc/45/81/91/607458191.db2.gz GYLDUUSYKLQDQG-VGOFMYFVSA-N -1 3 350.353 3.281 20 30 FGEDHM Cc1cc(C)c2c(c1)C(=O)C(=Cc1ccc(-c3nn[n-]n3)cc1F)CO2 ZINC000822195088 607458194 /nfs/dbraw/zinc/45/81/94/607458194.db2.gz GYLDUUSYKLQDQG-VGOFMYFVSA-N -1 3 350.353 3.281 20 30 FGEDHM CCN(C)c1ccc(C(=O)C=Cc2ccc(-c3nnn[n-]3)cc2F)cc1 ZINC000821164532 607459586 /nfs/dbraw/zinc/45/95/86/607459586.db2.gz GLPSMXPVJXXRIF-FLIBITNWSA-N -1 3 351.385 3.358 20 30 FGEDHM CCN(C)c1ccc(C(=O)C=Cc2ccc(-c3nn[n-]n3)cc2F)cc1 ZINC000821164532 607459587 /nfs/dbraw/zinc/45/95/87/607459587.db2.gz GLPSMXPVJXXRIF-FLIBITNWSA-N -1 3 351.385 3.358 20 30 FGEDHM CC(C)(C)n1ncc2c1CCC[C@H]2N[C@@H](C(=O)[O-])c1cccc(C#N)c1 ZINC000826529714 601306526 /nfs/dbraw/zinc/30/65/26/601306526.db2.gz XNFNINUUZUGDCX-SJLPKXTDSA-N -1 3 352.438 3.303 20 30 FGEDHM COc1ccc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1-c1nnn[n-]1 ZINC000826194907 607508848 /nfs/dbraw/zinc/50/88/48/607508848.db2.gz ZLWYKKPQRFQEEA-RBUKOAKNSA-N -1 3 374.448 3.147 20 30 FGEDHM COc1ccc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1-c1nn[n-]n1 ZINC000826194907 607508850 /nfs/dbraw/zinc/50/88/50/607508850.db2.gz ZLWYKKPQRFQEEA-RBUKOAKNSA-N -1 3 374.448 3.147 20 30 FGEDHM CCN(C(=O)c1ccc(-c2nnn[n-]2)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000825379982 607669772 /nfs/dbraw/zinc/66/97/72/607669772.db2.gz NEURQQZPTAOLEM-CQSZACIVSA-N -1 3 360.421 3.270 20 30 FGEDHM CCN(C(=O)c1ccc(-c2nn[n-]n2)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000825379982 607669773 /nfs/dbraw/zinc/66/97/73/607669773.db2.gz NEURQQZPTAOLEM-CQSZACIVSA-N -1 3 360.421 3.270 20 30 FGEDHM C=CCOc1ccc(CN2Cc3ccccc3C[C@H]2C(=O)[O-])cc1OC ZINC000825698814 604462951 /nfs/dbraw/zinc/46/29/51/604462951.db2.gz LHULUUBOLCYWSU-SFHVURJKSA-N -1 3 353.418 3.272 20 30 FGEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000826245316 607698369 /nfs/dbraw/zinc/69/83/69/607698369.db2.gz UNXVTHHKCQILKJ-MOPGFXCFSA-N -1 3 372.432 3.087 20 30 FGEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000826245316 607698370 /nfs/dbraw/zinc/69/83/70/607698370.db2.gz UNXVTHHKCQILKJ-MOPGFXCFSA-N -1 3 372.432 3.087 20 30 FGEDHM N#CCOc1ccc(Cl)cc1CN1C[C@@H]2CCC[C@@H](NC(=O)[O-])[C@@H]2C1 ZINC000833968188 605442923 /nfs/dbraw/zinc/44/29/23/605442923.db2.gz YCVWWKUHXKXVQY-APHBMKBZSA-N -1 3 363.845 3.110 20 30 FGEDHM C=CCN(Cc1csc([C@H](C)OC)n1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000819745711 606158822 /nfs/dbraw/zinc/15/88/22/606158822.db2.gz QGGGKTDJFBRFDT-ZDUSSCGKSA-N -1 3 370.482 3.219 20 30 FGEDHM C=CCN(Cc1csc([C@H](C)OC)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000819745711 606158823 /nfs/dbraw/zinc/15/88/23/606158823.db2.gz QGGGKTDJFBRFDT-ZDUSSCGKSA-N -1 3 370.482 3.219 20 30 FGEDHM C[C@@H](C#N)OC(=O)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000819857762 606236049 /nfs/dbraw/zinc/23/60/49/606236049.db2.gz UWUURHKTFPORFM-NSHDSACASA-N -1 3 351.391 3.087 20 30 FGEDHM C[C@@H](C#N)OC(=O)c1ccc(Sc2ccccc2-c2nn[n-]n2)cc1 ZINC000819857762 606236050 /nfs/dbraw/zinc/23/60/50/606236050.db2.gz UWUURHKTFPORFM-NSHDSACASA-N -1 3 351.391 3.087 20 30 FGEDHM O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823396453 606311626 /nfs/dbraw/zinc/31/16/26/606311626.db2.gz JQTOSRGVUZSZJS-UHFFFAOYSA-N -1 3 372.306 3.094 20 30 FGEDHM O=C(OCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823396453 606311627 /nfs/dbraw/zinc/31/16/27/606311627.db2.gz JQTOSRGVUZSZJS-UHFFFAOYSA-N -1 3 372.306 3.094 20 30 FGEDHM O=C(C=Cc1cnc(-c2ccccn2)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000822936995 606600621 /nfs/dbraw/zinc/60/06/21/606600621.db2.gz YKERQNXTPIYYLA-HJWRWDBZSA-N -1 3 360.402 3.281 20 30 FGEDHM O=C(C=Cc1cnc(-c2ccccn2)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000822936995 606600622 /nfs/dbraw/zinc/60/06/22/606600622.db2.gz YKERQNXTPIYYLA-HJWRWDBZSA-N -1 3 360.402 3.281 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCC[C@@H]1CC ZINC000819743198 606837653 /nfs/dbraw/zinc/83/76/53/606837653.db2.gz FMGPMNUMZIPQQD-DOTOQJQBSA-N -1 3 354.458 3.143 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCC[C@@H]1CC ZINC000819743198 606837654 /nfs/dbraw/zinc/83/76/54/606837654.db2.gz FMGPMNUMZIPQQD-DOTOQJQBSA-N -1 3 354.458 3.143 20 30 FGEDHM CN(C(=O)C=Cc1ccccc1-c1nnn[n-]1)c1cc(Cl)ccc1C#N ZINC000821569625 606962517 /nfs/dbraw/zinc/96/25/17/606962517.db2.gz QBRRQVNOQNQONT-CLFYSBASSA-N -1 3 364.796 3.068 20 30 FGEDHM CN(C(=O)C=Cc1ccccc1-c1nn[n-]n1)c1cc(Cl)ccc1C#N ZINC000821569625 606962518 /nfs/dbraw/zinc/96/25/18/606962518.db2.gz QBRRQVNOQNQONT-CLFYSBASSA-N -1 3 364.796 3.068 20 30 FGEDHM CN(C(=O)C=Cc1ccccc1C#N)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821569748 606962935 /nfs/dbraw/zinc/96/29/35/606962935.db2.gz UNOHJPWGGJGIRF-TWGQIWQCSA-N -1 3 364.796 3.068 20 30 FGEDHM CN(C(=O)C=Cc1ccccc1C#N)c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000821569748 606962937 /nfs/dbraw/zinc/96/29/37/606962937.db2.gz UNOHJPWGGJGIRF-TWGQIWQCSA-N -1 3 364.796 3.068 20 30 FGEDHM N#Cc1cc2c(nc1SCc1cc(F)ccc1-c1nnn[n-]1)CCCC2 ZINC000822823678 607040400 /nfs/dbraw/zinc/04/04/00/607040400.db2.gz XPUSTLAMTXOETA-UHFFFAOYSA-N -1 3 366.425 3.444 20 30 FGEDHM N#Cc1cc2c(nc1SCc1cc(F)ccc1-c1nn[n-]n1)CCCC2 ZINC000822823678 607040401 /nfs/dbraw/zinc/04/04/01/607040401.db2.gz XPUSTLAMTXOETA-UHFFFAOYSA-N -1 3 366.425 3.444 20 30 FGEDHM N#CCCN(Cc1ccco1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822811063 607097248 /nfs/dbraw/zinc/09/72/48/607097248.db2.gz RYMPYOKUCXCOKT-UHFFFAOYSA-N -1 3 371.788 3.061 20 30 FGEDHM N#CCCN(Cc1ccco1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000822811063 607097250 /nfs/dbraw/zinc/09/72/50/607097250.db2.gz RYMPYOKUCXCOKT-UHFFFAOYSA-N -1 3 371.788 3.061 20 30 FGEDHM Cc1ccc(C=NNc2cccc(-c3nnn[n-]3)c2)c(Br)c1 ZINC000826286401 607807956 /nfs/dbraw/zinc/80/79/56/607807956.db2.gz ALLUKEBKIQWOFQ-UHFFFAOYSA-N -1 3 357.215 3.384 20 30 FGEDHM Cc1ccc(C=NNc2cccc(-c3nn[n-]n3)c2)c(Br)c1 ZINC000826286401 607807957 /nfs/dbraw/zinc/80/79/57/607807957.db2.gz ALLUKEBKIQWOFQ-UHFFFAOYSA-N -1 3 357.215 3.384 20 30 FGEDHM C=CCN(CC=C)C(=O)[C@H](C)Sc1ccc(-c2nnn[n-]2)cc1Cl ZINC000823903426 607845195 /nfs/dbraw/zinc/84/51/95/607845195.db2.gz ADQFOJLNMRNXET-NSHDSACASA-N -1 3 363.874 3.201 20 30 FGEDHM C=CCN(CC=C)C(=O)[C@H](C)Sc1ccc(-c2nn[n-]n2)cc1Cl ZINC000823903426 607845196 /nfs/dbraw/zinc/84/51/96/607845196.db2.gz ADQFOJLNMRNXET-NSHDSACASA-N -1 3 363.874 3.201 20 30 FGEDHM Cc1cc(Cl)cc2c1OCC(=Cc1ccccc1-c1nnn[n-]1)C2=O ZINC000826267670 607884876 /nfs/dbraw/zinc/88/48/76/607884876.db2.gz PUWKAMJSOCPBCL-KPKJPENVSA-N -1 3 352.781 3.487 20 30 FGEDHM Cc1cc(Cl)cc2c1OCC(=Cc1ccccc1-c1nn[n-]n1)C2=O ZINC000826267670 607884877 /nfs/dbraw/zinc/88/48/77/607884877.db2.gz PUWKAMJSOCPBCL-KPKJPENVSA-N -1 3 352.781 3.487 20 30 FGEDHM C=C(C)[C@@H](CC(=O)N(CC(C)C)c1ccc(-c2nnn[n-]2)cc1)OCC ZINC000823872701 607889045 /nfs/dbraw/zinc/88/90/45/607889045.db2.gz CSEZLWXYKGVIQV-QGZVFWFLSA-N -1 3 357.458 3.227 20 30 FGEDHM C=C(C)[C@@H](CC(=O)N(CC(C)C)c1ccc(-c2nn[n-]n2)cc1)OCC ZINC000823872701 607889046 /nfs/dbraw/zinc/88/90/46/607889046.db2.gz CSEZLWXYKGVIQV-QGZVFWFLSA-N -1 3 357.458 3.227 20 30 FGEDHM C(=NNCc1ccc(-c2nnn[n-]2)cc1)c1nc(-c2ccccc2)cs1 ZINC000823861683 607889782 /nfs/dbraw/zinc/88/97/82/607889782.db2.gz PLHUDQKLLDRQON-UHFFFAOYSA-N -1 3 361.434 3.114 20 30 FGEDHM C(=NNCc1ccc(-c2nn[n-]n2)cc1)c1nc(-c2ccccc2)cs1 ZINC000823861683 607889783 /nfs/dbraw/zinc/88/97/83/607889783.db2.gz PLHUDQKLLDRQON-UHFFFAOYSA-N -1 3 361.434 3.114 20 30 FGEDHM COc1ccc(C#N)cc1CSCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000826186752 607983376 /nfs/dbraw/zinc/98/33/76/607983376.db2.gz JKJXDSPHABKFLM-UHFFFAOYSA-N -1 3 367.434 3.189 20 30 FGEDHM COc1ccc(C#N)cc1CSCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000826186752 607983377 /nfs/dbraw/zinc/98/33/77/607983377.db2.gz JKJXDSPHABKFLM-UHFFFAOYSA-N -1 3 367.434 3.189 20 30 FGEDHM CC1(C)CC(N=Nc2cc(-c3nnn[n-]3)cc(Cl)n2)c2ccccc2O1 ZINC000824788612 608538595 /nfs/dbraw/zinc/53/85/95/608538595.db2.gz BQIQLRPYWRCSIT-UHFFFAOYSA-N -1 3 369.816 3.292 20 30 FGEDHM CC1(C)CC(N=Nc2cc(-c3nn[n-]n3)cc(Cl)n2)c2ccccc2O1 ZINC000824788612 608538596 /nfs/dbraw/zinc/53/85/96/608538596.db2.gz BQIQLRPYWRCSIT-UHFFFAOYSA-N -1 3 369.816 3.292 20 30 FGEDHM COc1ccccc1CC=CN=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000826218781 608539023 /nfs/dbraw/zinc/53/90/23/608539023.db2.gz KUWVTDSBWBPSJH-QMOVWILESA-N -1 3 355.789 3.035 20 30 FGEDHM COc1ccccc1CC=CN=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000826218781 608539024 /nfs/dbraw/zinc/53/90/24/608539024.db2.gz KUWVTDSBWBPSJH-QMOVWILESA-N -1 3 355.789 3.035 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cc(-c2nnn[n-]2)cs1 ZINC000826379746 608749061 /nfs/dbraw/zinc/74/90/61/608749061.db2.gz ADSNZOLPSWQCKZ-IAGOWNOFSA-N -1 3 350.451 3.200 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@H]1CCCN1Cc1cc(-c2nn[n-]n2)cs1 ZINC000826379746 608749063 /nfs/dbraw/zinc/74/90/63/608749063.db2.gz ADSNZOLPSWQCKZ-IAGOWNOFSA-N -1 3 350.451 3.200 20 30 FGEDHM O=C(C=Cc1nc2c(s1)CCCC2)c1ccc(-c2nnn[n-]2)cc1F ZINC000826403051 609274911 /nfs/dbraw/zinc/27/49/11/609274911.db2.gz IVAJLBFUEMXRFW-BQYQJAHWSA-N -1 3 355.398 3.237 20 30 FGEDHM O=C(C=Cc1nc2c(s1)CCCC2)c1ccc(-c2nn[n-]n2)cc1F ZINC000826403051 609274913 /nfs/dbraw/zinc/27/49/13/609274913.db2.gz IVAJLBFUEMXRFW-BQYQJAHWSA-N -1 3 355.398 3.237 20 30 FGEDHM Cn1cc(C=C2CCCC(C)(C)C2=O)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359327 609309597 /nfs/dbraw/zinc/30/95/97/609309597.db2.gz CRGOEWAMQHAMMU-PTNGSMBKSA-N -1 3 362.437 3.430 20 30 FGEDHM Cn1cc(C=C2CCCC(C)(C)C2=O)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359327 609309600 /nfs/dbraw/zinc/30/96/00/609309600.db2.gz CRGOEWAMQHAMMU-PTNGSMBKSA-N -1 3 362.437 3.430 20 30 FGEDHM Cc1ccccc1C=NOCc1ccc(-c2nnn[n-]2)cc1Br ZINC000826306769 609325957 /nfs/dbraw/zinc/32/59/57/609325957.db2.gz LAEWMFAWKFXHNM-UHFFFAOYSA-N -1 3 372.226 3.488 20 30 FGEDHM Cc1ccccc1C=NOCc1ccc(-c2nn[n-]n2)cc1Br ZINC000826306769 609325959 /nfs/dbraw/zinc/32/59/59/609325959.db2.gz LAEWMFAWKFXHNM-UHFFFAOYSA-N -1 3 372.226 3.488 20 30 FGEDHM CC(C)NC(=O)CSc1ccccc1C([O-])=C(C#N)c1ccccn1 ZINC000049456882 695894791 /nfs/dbraw/zinc/89/47/91/695894791.db2.gz HKLUROJNNQBOCC-OAHLLOKOSA-N -1 3 353.447 3.188 20 30 FGEDHM [O-]c1ccc(Br)cc1/C=N/[C@H]1CCN(c2ncccc2F)C1 ZINC000132468418 700827791 /nfs/dbraw/zinc/82/77/91/700827791.db2.gz FLGMXFMGHNIPGK-QOJWJBQSSA-N -1 3 364.218 3.387 20 30 FGEDHM CN(C)C(=O)c1ccc(C/N=C\c2cc(Br)ccc2[O-])cc1 ZINC000254944230 713677560 /nfs/dbraw/zinc/67/75/60/713677560.db2.gz SMKWFBFCHBSRQZ-ODLFYWEKSA-N -1 3 361.239 3.476 20 30 FGEDHM COc1ccccc1NC(=O)C(C#N)=C([O-])C=CSCc1ccco1 ZINC000255028602 713680972 /nfs/dbraw/zinc/68/09/72/713680972.db2.gz OHWFUEKMNQMETL-GDAGCXPBSA-N -1 3 356.403 3.383 20 30 FGEDHM Cc1sc2[n-]c([C@H](C)OC(=O)c3cc(C#N)ccn3)nc(=O)c2c1C ZINC000803849870 724474309 /nfs/dbraw/zinc/47/43/09/724474309.db2.gz WWZVWTBREWTKGE-VIFPVBQESA-N -1 3 354.391 3.198 20 30 FGEDHM CNS(=O)(=O)c1cccc([C@@H](C)/N=C\c2cc(Cl)ccc2[O-])c1 ZINC000727265753 722442802 /nfs/dbraw/zinc/44/28/02/722442802.db2.gz WZBNKNYJYXYMOB-XEQXHXIFSA-N -1 3 352.843 3.134 20 30 FGEDHM C#CCOc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000730996504 722472545 /nfs/dbraw/zinc/47/25/45/722472545.db2.gz UECKJOPZFMUYSB-UHFFFAOYSA-N -1 3 366.236 3.262 20 30 FGEDHM CC(=N[N-]S(=O)(=O)CCc1ccccc1)c1ccc(OC(C)C)cc1 ZINC000743448273 722567621 /nfs/dbraw/zinc/56/76/21/722567621.db2.gz HUDNGYZPGBQNIO-UHFFFAOYSA-N -1 3 360.479 3.360 20 30 FGEDHM COc1cccc(CC(=N[N-]S(=O)(=O)Cc2ccccc2)C2CC2)c1 ZINC000752728205 722868498 /nfs/dbraw/zinc/86/84/98/722868498.db2.gz WXDFKRCPRCWRGL-UHFFFAOYSA-N -1 3 358.463 3.123 20 30 FGEDHM Cc1ncc(CO)c(/C=N/CCc2ccccc2OC(F)(F)F)c1[O-] ZINC000756776720 722969890 /nfs/dbraw/zinc/96/98/90/722969890.db2.gz ZIOPLTIJMXDJQB-ZVBGSRNCSA-N -1 3 354.328 3.148 20 30 FGEDHM C#CCOc1ccccc1C[N-]C(=O)C(F)(F)c1c(F)cccc1F ZINC000757001998 722973182 /nfs/dbraw/zinc/97/31/82/722973182.db2.gz XPEVTJPMHBSGKV-UHFFFAOYSA-N -1 3 351.299 3.385 20 30 FGEDHM CCc1ccc(C=Nn2c(=S)[n-]nc2[C@H]2COc3ccccc3O2)o1 ZINC000760234358 723044318 /nfs/dbraw/zinc/04/43/18/723044318.db2.gz QHZXXRQVCLVCJR-OAHLLOKOSA-N -1 3 356.407 3.117 20 30 FGEDHM COc1cc(C=CC(=O)c2cc[nH]c(=O)c2)cc(Br)c1[O-] ZINC000791430807 723242846 /nfs/dbraw/zinc/24/28/46/723242846.db2.gz DTDJQSSAYNFOJG-NSCUHMNNSA-N -1 3 350.168 3.160 20 30 FGEDHM Cc1cc(C)c2c(c1)C(=N[N-]S(=O)(=O)Cc1ccccc1)CCCO2 ZINC000763161015 723318006 /nfs/dbraw/zinc/31/80/06/723318006.db2.gz CQYSFIFNQOIOJM-UHFFFAOYSA-N -1 3 358.463 3.300 20 30 FGEDHM [O-]c1c(O)cc(CN=Nc2ncnc3ccsc32)cc1Br ZINC000764835647 723451528 /nfs/dbraw/zinc/45/15/28/723451528.db2.gz ORBUJRGLRRPWOI-UHFFFAOYSA-N -1 3 365.212 3.311 20 30 FGEDHM CN(C)S(=O)(=O)c1cc(N=Cc2cc(Cl)ccc2[O-])ccc1F ZINC000794679860 723540663 /nfs/dbraw/zinc/54/06/63/723540663.db2.gz JMWHQZXCJVLCHI-UHFFFAOYSA-N -1 3 356.806 3.186 20 30 FGEDHM Cc1ccc(C=N[N-]S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000766448129 723574668 /nfs/dbraw/zinc/57/46/68/723574668.db2.gz UAXOZDCBPSDXDW-UHFFFAOYSA-N -1 3 367.814 3.010 20 30 FGEDHM [O-]c1ccc(Br)cc1/C=N/CCc1cn2c(n1)SCC2 ZINC000767339614 723615269 /nfs/dbraw/zinc/61/52/69/723615269.db2.gz VSUUKJOJDVFYIP-LZYBPNLTSA-N -1 3 352.257 3.119 20 30 FGEDHM CC(N=Nc1ncnc2c1cnn2-c1ccccc1)c1sccc1[O-] ZINC000769780249 723694907 /nfs/dbraw/zinc/69/49/07/723694907.db2.gz HDRFUIWATIGYSS-UHFFFAOYSA-N -1 3 350.407 3.419 20 30 FGEDHM COC(=O)N1CCC[C@H]([C@H](C)/N=C/c2cc(Br)ccc2[O-])C1 ZINC000773906053 723837789 /nfs/dbraw/zinc/83/77/89/723837789.db2.gz NYGFRAXPPGXGMI-PWYFUHBBSA-N -1 3 369.259 3.441 20 30 FGEDHM N#Cc1ccc(CN2CCC(C[N-]C(=O)C(F)(F)F)CC2)c(Cl)c1 ZINC000799174317 723995070 /nfs/dbraw/zinc/99/50/70/723995070.db2.gz MXWTWNHHKBUNCO-UHFFFAOYSA-N -1 3 359.779 3.102 20 30 FGEDHM N#Cc1cc([O-])cc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)c1 ZINC000776278783 724127442 /nfs/dbraw/zinc/12/74/42/724127442.db2.gz GHXZMGFCLSGUPP-UHFFFAOYSA-N -1 3 355.737 3.324 20 30 FGEDHM N#CCc1ccccc1CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000777419626 724223993 /nfs/dbraw/zinc/22/39/93/724223993.db2.gz QRUHEMQBLNOMKZ-UHFFFAOYSA-N -1 3 359.223 3.080 20 30 FGEDHM Cc1ncc(CO)c(C=Nc2cc(Br)c(F)cc2F)c1[O-] ZINC000786027675 724954702 /nfs/dbraw/zinc/95/47/02/724954702.db2.gz PFPAGKCDHHRTID-UHFFFAOYSA-N -1 3 357.154 3.379 20 30 FGEDHM C#C[C@@H](NC(=O)NCc1ccc([O-])c(F)c1)c1ccc(Cl)cc1F ZINC000805776802 725094512 /nfs/dbraw/zinc/09/45/12/725094512.db2.gz WWJVFSZYNIXTDV-OAHLLOKOSA-N -1 3 350.752 3.498 20 30 FGEDHM CC(=O)[C@@H](Cc1cccc(Cl)c1F)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811184436 725349376 /nfs/dbraw/zinc/34/93/76/725349376.db2.gz ODCKGZNNNWMKER-MRXNPFEDSA-N -1 3 361.756 3.413 20 30 FGEDHM C[C@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)c1ccc(Br)cc1 ZINC000811184463 725349412 /nfs/dbraw/zinc/34/94/12/725349412.db2.gz OHVYQSWCTSMVPU-JTQLQIEISA-N -1 3 374.190 3.455 20 30 FGEDHM Cc1cc(Cl)ccc1NC(=O)[C@@H](C)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811186039 725349489 /nfs/dbraw/zinc/34/94/89/725349489.db2.gz ZYCATVJYBXLLGT-LLVKDONJSA-N -1 3 358.781 3.410 20 30 FGEDHM CC(=O)[C@@H](Cc1ccc(Cl)cc1F)OC(=O)c1cc([O-])cc(C#N)c1 ZINC000811186876 725349563 /nfs/dbraw/zinc/34/95/63/725349563.db2.gz BSEHWOPRJAIQGY-QGZVFWFLSA-N -1 3 361.756 3.413 20 30 FGEDHM CSc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([O-])cc(C#N)c2)cc1 ZINC000811188648 725349721 /nfs/dbraw/zinc/34/97/21/725349721.db2.gz RSINTXUOJBVJGW-NSHDSACASA-N -1 3 356.403 3.170 20 30 FGEDHM C=CCC(F)(F)C(=O)Nc1cc(I)ccc1[O-] ZINC000815877929 727103619 /nfs/dbraw/zinc/10/36/19/727103619.db2.gz METLXXGHKWBYJD-UHFFFAOYSA-N -1 3 353.106 3.147 20 30 FGEDHM CC(C)c1ccc2c(Cl)c(C(=O)N[C@H]3CCN([O-])C3=O)sc2c1 ZINC000820157459 728971026 /nfs/dbraw/zinc/97/10/26/728971026.db2.gz XMKNMBUZFYGXCP-NSHDSACASA-N -1 3 352.843 3.398 20 30 FGEDHM CCN(C(=O)c1cc(C#N)cs1)c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000825380767 729381085 /nfs/dbraw/zinc/38/10/85/729381085.db2.gz STTWYLUVHGAMQV-UHFFFAOYSA-N -1 3 358.814 3.120 20 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/nfs/dbraw/zinc/70/01/64/731700164.db2.gz FNTPKHNSJUDTGU-UHFFFAOYSA-N -1 3 360.845 3.109 20 30 FGEDHM CCn1cc(C([O-])=C(C#N)C(=O)Nc2ccccc2Cl)c(C2CC2)n1 ZINC000870138111 733815492 /nfs/dbraw/zinc/81/54/92/733815492.db2.gz BSGNAKCIZBJIAF-LBPRGKRZSA-N -1 3 356.813 3.395 20 30 FGEDHM C[C@@H](CC(=O)N([O-])Cc1ccc(F)cc1)n1cc(Br)cn1 ZINC000900094939 743063912 /nfs/dbraw/zinc/06/39/12/743063912.db2.gz VABZHVAAUANGML-JTQLQIEISA-N -1 3 356.195 3.154 20 30 FGEDHM N#C[C@H](NC(=O)c1cnc(C2CC2)[n-]c1=O)c1ccc(Cl)c(Cl)c1 ZINC000900644464 743143005 /nfs/dbraw/zinc/14/30/05/743143005.db2.gz RADJQICCOBZJSO-ZDUSSCGKSA-N -1 3 363.204 3.361 20 30 FGEDHM CS(=O)(=O)C1(C(=O)N([O-])Cc2cc(Cl)cc(Cl)c2)CCCC1 ZINC000901377862 743263104 /nfs/dbraw/zinc/26/31/04/743263104.db2.gz ALAHPWJMITYMDJ-UHFFFAOYSA-N -1 3 366.266 3.069 20 30 FGEDHM O=C([C@H]1CCCn2cc(C(F)(F)F)nc21)N([O-])Cc1ccc(F)cc1 ZINC000904178753 743935693 /nfs/dbraw/zinc/93/56/93/743935693.db2.gz SRYKHILUMNBOPD-LBPRGKRZSA-N -1 3 357.307 3.336 20 30 FGEDHM [O-]c1c(Br)cc(Br)cc1C=NNc1cnccn1 ZINC000912958586 757415039 /nfs/dbraw/zinc/41/50/39/757415039.db2.gz CHAYPJLXFIHEJR-UHFFFAOYSA-N -1 3 372.020 3.153 20 30 FGEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CCCC)[C@H](C)CC)ccc1F ZINC000914611450 757812168 /nfs/dbraw/zinc/81/21/68/757812168.db2.gz ARJHWECSHPRSJD-CQSZACIVSA-N -1 3 370.490 3.331 20 30 FGEDHM CS(=O)(=O)c1ccc(NN=Cc2cc(Br)ccc2[O-])cc1 ZINC000914834362 757848032 /nfs/dbraw/zinc/84/80/32/757848032.db2.gz CQUSYHCSWDXIRB-UHFFFAOYSA-N -1 3 369.240 3.004 20 30 FGEDHM N#Cc1ccc(N2CC[C@H](OC(=O)c3cc4ccsc4[n-]3)C2=O)cc1 ZINC000914891814 757856137 /nfs/dbraw/zinc/85/61/37/757856137.db2.gz UYUCTIHWJVWHGD-HNNXBMFYSA-N -1 3 351.387 3.063 20 30 FGEDHM CCCCCNC(=S)NN=Cc1cc(Br)c([O-])c(OC)c1 ZINC000916361041 758074354 /nfs/dbraw/zinc/07/43/54/758074354.db2.gz PGDDCVRCPYNPPX-UHFFFAOYSA-N -1 3 374.304 3.152 20 30 FGEDHM CCOc1cc(C=NN2C(=S)N=NC2[C@H]2CCCO2)cc(Cl)c1[O-] ZINC000916367003 758074645 /nfs/dbraw/zinc/07/46/45/758074645.db2.gz POMLMMTZUDWVHE-LLVKDONJSA-N -1 3 368.846 3.058 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)OC[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000922286440 758885777 /nfs/dbraw/zinc/88/57/77/758885777.db2.gz XYRRBSTVVUIUDH-SHHSBJBSSA-N -1 3 350.365 3.043 20 30 FGEDHM Cc1noc2nc(C(C)C)cc(C(=O)Nc3nnc(-c4ccccn4)[n-]3)c12 ZINC000097493867 222184961 /nfs/dbraw/zinc/18/49/61/222184961.db2.gz WGQCSNDMZRZXKJ-UHFFFAOYSA-N -1 3 363.381 3.471 20 30 FGEDHM Cc1noc2nc(C(C)C)cc(C(=O)Nc3nc(-c4ccccn4)n[n-]3)c12 ZINC000097493867 222184963 /nfs/dbraw/zinc/18/49/63/222184963.db2.gz WGQCSNDMZRZXKJ-UHFFFAOYSA-N -1 3 363.381 3.471 20 30 FGEDHM C[C@@H]1CCc2sc([N-]C(=O)c3cn([C@@H]4CCOC4)nn3)c(C#N)c2[C@H]1C ZINC000568046814 505603606 /nfs/dbraw/zinc/60/36/06/505603606.db2.gz NXNGPEYATZVPQS-GRYCIOLGSA-N -1 3 371.466 3.111 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](C)Sc1ccccc1 ZINC000081106548 493833512 /nfs/dbraw/zinc/83/35/12/493833512.db2.gz ITCRVFGZWMPVMT-ZDUSSCGKSA-N -1 3 369.490 3.093 20 30 FGEDHM Cc1cc(C(C#N)=C([O-])c2ccc(CN(C)C(=O)C(C)C)cc2)nc(C)n1 ZINC000076822170 493974656 /nfs/dbraw/zinc/97/46/56/493974656.db2.gz VHJNZFFKCUNOJP-SFHVURJKSA-N -1 3 364.449 3.198 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000011448380 494178174 /nfs/dbraw/zinc/17/81/74/494178174.db2.gz JPDYTAGHRJQJEL-JTQLQIEISA-N -1 3 370.478 3.016 20 30 FGEDHM CC(C)Cn1ncc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)c1C(F)F ZINC000089486086 494317307 /nfs/dbraw/zinc/31/73/07/494317307.db2.gz FPGPJEYHOSNHOK-UHFFFAOYSA-N -1 3 361.356 3.293 20 30 FGEDHM CC(C)Cn1ncc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)c1C(F)F ZINC000089486086 494317310 /nfs/dbraw/zinc/31/73/10/494317310.db2.gz FPGPJEYHOSNHOK-UHFFFAOYSA-N -1 3 361.356 3.293 20 30 FGEDHM COc1ccc(COCCCC(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000089689437 494344241 /nfs/dbraw/zinc/34/42/41/494344241.db2.gz DUKWKAOSVWFGQM-UHFFFAOYSA-N -1 3 358.320 3.417 20 30 FGEDHM COc1ccc(COCCCC(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000089689437 494344242 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/nfs/dbraw/zinc/32/38/10/502323810.db2.gz GHQHGBGGAHJDOM-SFHVURJKSA-N -1 3 364.426 3.269 20 30 FGEDHM C[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC000487399431 502434302 /nfs/dbraw/zinc/43/43/02/502434302.db2.gz XNMCZHDYEUJAQG-GFCCVEGCSA-N -1 3 351.428 3.104 20 30 FGEDHM N#Cc1c(Cl)cccc1S(=O)(=O)[N-]C[C@@H]1CCC2(CCCCC2)O1 ZINC000480861127 502692100 /nfs/dbraw/zinc/69/21/00/502692100.db2.gz CRRUGTNJJLGHDS-ZDUSSCGKSA-N -1 3 368.886 3.372 20 30 FGEDHM N#Cc1ccccc1-c1ccccc1C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1 ZINC000473853405 502725554 /nfs/dbraw/zinc/72/55/54/502725554.db2.gz WNKDUSUUXHJSQX-IBGZPJMESA-N -1 3 358.401 3.474 20 30 FGEDHM CC[C@H]([N-]S(=O)(=O)Cc1ccc(C#N)cc1F)c1nc(C)cs1 ZINC000481035512 502734924 /nfs/dbraw/zinc/73/49/24/502734924.db2.gz JRULDIPWEMRMHL-AWEZNQCLSA-N -1 3 353.444 3.033 20 30 FGEDHM Cc1cc(C(C#N)=C([O-])c2cc(Br)cc(N(C)C)c2)nc(C)n1 ZINC000495580904 502852605 /nfs/dbraw/zinc/85/26/05/502852605.db2.gz PWULUJNBSRBBFO-OAHLLOKOSA-N -1 3 373.254 3.412 20 30 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N#Cc1ccc(S(=O)(=O)[N-]CCc2cc3ccccc3o2)c(Cl)c1 ZINC000503504724 503423597 /nfs/dbraw/zinc/42/35/97/503423597.db2.gz JWQVZXHSZXNNEZ-UHFFFAOYSA-N -1 3 360.822 3.479 20 30 FGEDHM CCN=c1[n-]c(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cs1 ZINC000493504025 503430560 /nfs/dbraw/zinc/43/05/60/503430560.db2.gz PQAOHNJTRGEHCM-UHFFFAOYSA-N -1 3 369.475 3.168 20 30 FGEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000508141224 503440408 /nfs/dbraw/zinc/44/04/08/503440408.db2.gz FDBGZXCSRHNKTI-NSHDSACASA-N -1 3 372.821 3.282 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCc1nc(-c2cc(F)cc(F)c2)no1 ZINC000546998631 503951517 /nfs/dbraw/zinc/95/15/17/503951517.db2.gz VZMSQIBKSIDJRF-UHFFFAOYSA-N -1 3 356.332 3.389 20 30 FGEDHM N#CCC[C@@H]([N-]S(=O)(=O)c1ccc(Br)o1)c1ccccc1 ZINC000544720669 504233625 /nfs/dbraw/zinc/23/36/25/504233625.db2.gz UOYODGAGKDNYFI-GFCCVEGCSA-N -1 3 369.240 3.365 20 30 FGEDHM N#CC(=C([O-])c1cccc(OCc2cn3ccccc3n2)c1)c1ccncn1 ZINC000544815116 504267927 /nfs/dbraw/zinc/26/79/27/504267927.db2.gz XVSOAUPNBXABIA-GOSISDBHSA-N -1 3 369.384 3.193 20 30 FGEDHM CS(=O)(=O)[N-]c1ccc(-c2noc(/C=C/c3cccc(C#N)c3)n2)cc1 ZINC000544996081 504324617 /nfs/dbraw/zinc/32/46/17/504324617.db2.gz NHSJIZKGJQGUBX-BJMVGYQFSA-N -1 3 366.402 3.150 20 30 FGEDHM CC#CCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000542467055 504501387 /nfs/dbraw/zinc/50/13/87/504501387.db2.gz STTAOSOJZUOESA-UHFFFAOYSA-N -1 3 370.190 3.160 20 30 FGEDHM C=CC[C@H](CC)[N-]S(=O)(=O)c1cc(Cl)ccc1OCCCOC ZINC000546056625 504692056 /nfs/dbraw/zinc/69/20/56/504692056.db2.gz AXRQRQGQUGEIGP-AWEZNQCLSA-N -1 3 361.891 3.388 20 30 FGEDHM N#C[C@H]([N-]S(=O)(=O)CCc1ccccc1)c1cccc(C(F)(F)F)c1 ZINC000539998104 504756604 /nfs/dbraw/zinc/75/66/04/504756604.db2.gz BUROYVPMXRCRKR-INIZCTEOSA-N -1 3 368.380 3.432 20 30 FGEDHM CCc1ccc([C@H](C#N)N(C)C(=O)CCc2c(C)nc(C)[n-]c2=O)cc1 ZINC000565164031 504813294 /nfs/dbraw/zinc/81/32/94/504813294.db2.gz PHGLNWATDRPEJD-SFHVURJKSA-N -1 3 352.438 3.017 20 30 FGEDHM N#Cc1ccc(N2CC[C@H](C(=O)N3CCCc4cccc([O-])c43)C2)c(F)c1 ZINC000553122508 504832115 /nfs/dbraw/zinc/83/21/15/504832115.db2.gz DIRZZVSBXUUMKY-INIZCTEOSA-N -1 3 365.408 3.209 20 30 FGEDHM CC(C)(C)c1ccc(S(=O)(=O)[N-]CC(=O)c2ccc(C#N)cc2)s1 ZINC000556395386 504862384 /nfs/dbraw/zinc/86/23/84/504862384.db2.gz LOQYJBXIULYXHG-UHFFFAOYSA-N -1 3 362.476 3.078 20 30 FGEDHM C[C@@H]([N-]S(=O)(=O)c1cccnc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000553435081 504914348 /nfs/dbraw/zinc/91/43/48/504914348.db2.gz GFEWVHFTJVDEOP-SNVBAGLBSA-N -1 3 355.341 3.012 20 30 FGEDHM CCOC(=O)c1csc([N-]C(=O)c2cc(-c3cccc(C#N)c3)no2)n1 ZINC000553790162 505011603 /nfs/dbraw/zinc/01/16/03/505011603.db2.gz NOBLXIFEWPRQBE-UHFFFAOYSA-N -1 3 368.374 3.099 20 30 FGEDHM COC(=O)c1cccc2nc(NC(=O)c3cc(C#N)ccc3Cl)[n-]c21 ZINC000556939002 505024220 /nfs/dbraw/zinc/02/42/20/505024220.db2.gz FBKKQCGVVDCGEH-UHFFFAOYSA-N -1 3 354.753 3.127 20 30 FGEDHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc(C#N)ccc3Cl)nc21 ZINC000556939002 505024225 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FGEDHM Cc1ccc(CN2CCSCC2)cc1NC(=O)c1cc([O-])cc(C#N)c1 ZINC000589175013 506471159 /nfs/dbraw/zinc/47/11/59/506471159.db2.gz AYGZPWGUMBZSIM-UHFFFAOYSA-N -1 3 367.474 3.373 20 30 FGEDHM Cc1cc(Br)sc1S(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000593275535 506505058 /nfs/dbraw/zinc/50/50/58/506505058.db2.gz GSAXWSSAHCTIIZ-UHFFFAOYSA-N -1 3 363.302 3.324 20 30 FGEDHM Cn1cc(CN2CCC(CCC(=O)[O-])CC2)c(-c2ccc(C#N)cc2)n1 ZINC000596654491 506513127 /nfs/dbraw/zinc/51/31/27/506513127.db2.gz RORZADFFOUAPJQ-UHFFFAOYSA-N -1 3 352.438 3.036 20 30 FGEDHM Cc1cc([C@@H]([N-]S(=O)(=O)c2ccsc2C#N)C2CC2)ccc1F ZINC000593570833 506688305 /nfs/dbraw/zinc/68/83/05/506688305.db2.gz MZMZFNJPEHCCNL-INIZCTEOSA-N -1 3 350.440 3.497 20 30 FGEDHM N#Cc1sccc1S(=O)(=O)[N-][C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000593591102 506695334 /nfs/dbraw/zinc/69/53/34/506695334.db2.gz SDISONXIDDVVIL-MNOVXSKESA-N -1 3 370.402 3.056 20 30 FGEDHM Cc1cc(S(=O)(=O)[N-]CC2(C#N)CCCC2)sc1Br ZINC000593620192 506706531 /nfs/dbraw/zinc/70/65/31/506706531.db2.gz MEWROMIHGGYSKU-UHFFFAOYSA-N -1 3 363.302 3.181 20 30 FGEDHM COCCOc1cn(-c2ccccc2)nc1C(=O)[N-]c1sccc1C#N ZINC000609215675 506816314 /nfs/dbraw/zinc/81/63/14/506816314.db2.gz RTYRIELHGYLTMY-UHFFFAOYSA-N -1 3 368.418 3.083 20 30 FGEDHM Cc1cnc([C@H]([N-]S(=O)(=O)CC2(C#N)CCCCC2)C2CC2)s1 ZINC000613076507 506896261 /nfs/dbraw/zinc/89/62/61/506896261.db2.gz WCELKHVCUQAJND-CQSZACIVSA-N -1 3 353.513 3.296 20 30 FGEDHM Cc1cc(C([O-])=C(C#N)c2cc(C)nc(C)n2)c(C)n1-c1nccs1 ZINC000613296474 507016242 /nfs/dbraw/zinc/01/62/42/507016242.db2.gz VUOFEDLEFYGGGU-OAHLLOKOSA-N -1 3 351.435 3.448 20 30 FGEDHM COc1ccc(CC[C@H](C)[N-]S(=O)(=O)c2ccc(C#N)cc2F)cc1 ZINC000610083988 507093352 /nfs/dbraw/zinc/09/33/52/507093352.db2.gz AWRFBYYCETZGJW-ZDUSSCGKSA-N -1 3 362.426 3.006 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-]CCCc2ccc(Cl)cc2)c(F)c1 ZINC000610084720 507094155 /nfs/dbraw/zinc/09/41/55/507094155.db2.gz PSYINOWUVMNIPK-UHFFFAOYSA-N -1 3 352.818 3.262 20 30 FGEDHM N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCSc3ccc(F)cc32)c(F)c1 ZINC000610082063 507094536 /nfs/dbraw/zinc/09/45/36/507094536.db2.gz IIABSWSYHVXBNG-CQSZACIVSA-N -1 3 366.414 3.352 20 30 FGEDHM CC[C@@H](Cc1ccc(F)cc1)NC(=O)CCc1c(C)[n-]c(=O)c(C#N)c1C ZINC000597887983 507156134 /nfs/dbraw/zinc/15/61/34/507156134.db2.gz WIYIOBPUUQUHLK-KRWDZBQOSA-N -1 3 369.440 3.485 20 30 FGEDHM Cc1c(Br)cccc1CS(=O)(=O)[N-][C@H](C#N)CC(C)C ZINC000594578771 507193046 /nfs/dbraw/zinc/19/30/46/507193046.db2.gz MMAPOLMDEDCNQC-ZDUSSCGKSA-N -1 3 359.289 3.115 20 30 FGEDHM Cc1c(Br)cccc1CS(=O)(=O)[N-]C1(C#N)CCCCC1 ZINC000594578938 507193808 /nfs/dbraw/zinc/19/38/08/507193808.db2.gz WHMZTPOXYWMIAO-UHFFFAOYSA-N -1 3 371.300 3.403 20 30 FGEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCc1ccnc2ccccc12 ZINC000597980628 507205419 /nfs/dbraw/zinc/20/54/19/507205419.db2.gz UQCRQRUWJHXLCC-UHFFFAOYSA-N -1 3 374.444 3.115 20 30 FGEDHM CO[C@@H](CS(=O)(=O)[N-]c1ccc(OC(C)C)c(C#N)c1)C1CCCC1 ZINC000594706205 507246968 /nfs/dbraw/zinc/24/69/68/507246968.db2.gz QLNFVADBNGYWLE-SFHVURJKSA-N -1 3 366.483 3.292 20 30 FGEDHM CSC[C@](C)(C#N)[N-]S(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC000594726695 507255866 /nfs/dbraw/zinc/25/58/66/507255866.db2.gz ORIIHFKFBBHUKW-HNNXBMFYSA-N -1 3 365.505 3.005 20 30 FGEDHM N#CC1(CS(=O)(=O)[N-]Cc2c(F)c(F)cc(F)c2F)CCCCC1 ZINC000613930880 507304171 /nfs/dbraw/zinc/30/41/71/507304171.db2.gz JYCIYRBXEVBENT-UHFFFAOYSA-N -1 3 364.364 3.136 20 30 FGEDHM CO[C@@H](C[N-]S(=O)(=O)CC1(C#N)CCCCC1)c1ccccc1Cl ZINC000613934784 507306129 /nfs/dbraw/zinc/30/61/29/507306129.db2.gz KFHDPYSBDLQHCV-INIZCTEOSA-N -1 3 370.902 3.421 20 30 FGEDHM Cc1cccc(C2([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CCC2)c1 ZINC000592074969 507476409 /nfs/dbraw/zinc/47/64/09/507476409.db2.gz UGJRUJJHERZUNG-UHFFFAOYSA-N -1 3 371.418 3.133 20 30 FGEDHM N#Cc1cc([O-])cc(C(=O)Nc2ccccc2CN2CCSCC2)c1 ZINC000614364977 507479081 /nfs/dbraw/zinc/47/90/81/507479081.db2.gz QNAKXFMYAHFBNX-UHFFFAOYSA-N -1 3 353.447 3.065 20 30 FGEDHM CC(C)[C@@H](C#N)[N-]S(=O)(=O)Cc1ccc(Br)cc1Cl ZINC000592383453 507630422 /nfs/dbraw/zinc/63/04/22/507630422.db2.gz VQLWAESOLAZRKF-GFCCVEGCSA-N -1 3 365.680 3.070 20 30 FGEDHM O=C(Cc1csc(NC(=O)c2cccc([O-])c2)n1)N1CC[C@@H]2CCC[C@H]21 ZINC000330328103 568244952 /nfs/dbraw/zinc/24/49/52/568244952.db2.gz VWSKATGPNJYSLL-BLLLJJGKSA-N -1 3 371.462 3.429 20 30 FGEDHM O=C(C=Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000737798061 598825274 /nfs/dbraw/zinc/82/52/74/598825274.db2.gz SZPRFNGXEMGUPY-QPJJXVBHSA-N -1 3 355.741 3.324 20 30 FGEDHM O=C(C=Cc1cc(Cl)ccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000737798061 598825275 /nfs/dbraw/zinc/82/52/75/598825275.db2.gz SZPRFNGXEMGUPY-QPJJXVBHSA-N -1 3 355.741 3.324 20 30 FGEDHM C=CC[C@H](C)NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735409023 598889754 /nfs/dbraw/zinc/88/97/54/598889754.db2.gz ARDMCFSDPJAWSN-LBPRGKRZSA-N -1 3 368.466 3.359 20 30 FGEDHM C=CC[C@@H](C)NC(=O)NCc1cccc(-c2ccc(-c3nnn[n-]3)s2)c1 ZINC000735409021 598889825 /nfs/dbraw/zinc/88/98/25/598889825.db2.gz ARDMCFSDPJAWSN-GFCCVEGCSA-N -1 3 368.466 3.359 20 30 FGEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)cc1-c1nnn[n-]1 ZINC000737716790 598927407 /nfs/dbraw/zinc/92/74/07/598927407.db2.gz UWKNTZVJVUMNBS-HOCLYGCPSA-N -1 3 364.796 3.134 20 30 FGEDHM N#Cc1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)cc1-c1nn[n-]n1 ZINC000737716790 598927408 /nfs/dbraw/zinc/92/74/08/598927408.db2.gz UWKNTZVJVUMNBS-HOCLYGCPSA-N -1 3 364.796 3.134 20 30 FGEDHM COc1ccc2cc(C=NNCc3ccc(-c4nnn[n-]4)cc3)ccc2c1 ZINC000821854178 607254520 /nfs/dbraw/zinc/25/45/20/607254520.db2.gz HKESDPAQCJBYFO-UHFFFAOYSA-N -1 3 358.405 3.152 20 30 FGEDHM COc1ccc2cc(C=NNCc3ccc(-c4nn[n-]n4)cc3)ccc2c1 ZINC000821854178 607254521 /nfs/dbraw/zinc/25/45/21/607254521.db2.gz HKESDPAQCJBYFO-UHFFFAOYSA-N -1 3 358.405 3.152 20 30 FGEDHM COc1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)c(SC)cc1OC ZINC000737045286 599033139 /nfs/dbraw/zinc/03/31/39/599033139.db2.gz ZQDWWYXDHHDJBP-UHFFFAOYSA-N -1 3 370.438 3.052 20 30 FGEDHM O=C1c2ccc(-c3nnn[n-]3)cc2CCC1=Cc1cc(F)c(F)c(F)c1 ZINC000823504764 599115331 /nfs/dbraw/zinc/11/53/31/599115331.db2.gz ULFPIWPJQJCYSE-VZUCSPMQSA-N -1 3 356.307 3.497 20 30 FGEDHM O=C1c2ccc(-c3nn[n-]n3)cc2CCC1=Cc1cc(F)c(F)c(F)c1 ZINC000823504764 599115335 /nfs/dbraw/zinc/11/53/35/599115335.db2.gz ULFPIWPJQJCYSE-VZUCSPMQSA-N -1 3 356.307 3.497 20 30 FGEDHM CC(=NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)c1cncs1 ZINC000735451039 599158026 /nfs/dbraw/zinc/15/80/26/599158026.db2.gz NFVHHTQPAKQYER-UHFFFAOYSA-N -1 3 353.333 3.178 20 30 FGEDHM CC(=NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)c1cncs1 ZINC000735451039 599158027 /nfs/dbraw/zinc/15/80/27/599158027.db2.gz NFVHHTQPAKQYER-UHFFFAOYSA-N -1 3 353.333 3.178 20 30 FGEDHM CC(C)(C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1)c1cccc(Cl)c1 ZINC000735581208 599191014 /nfs/dbraw/zinc/19/10/14/599191014.db2.gz PYBCIQQCHVCUFA-UHFFFAOYSA-N -1 3 366.812 3.308 20 30 FGEDHM CC(C)(C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1)c1cccc(Cl)c1 ZINC000735581208 599191017 /nfs/dbraw/zinc/19/10/17/599191017.db2.gz PYBCIQQCHVCUFA-UHFFFAOYSA-N -1 3 366.812 3.308 20 30 FGEDHM CC(=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000735447080 599196227 /nfs/dbraw/zinc/19/62/27/599196227.db2.gz IIRWHCYZAJRKSM-FLIBITNWSA-N -1 3 364.796 3.434 20 30 FGEDHM CC(=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000735447080 599196229 /nfs/dbraw/zinc/19/62/29/599196229.db2.gz IIRWHCYZAJRKSM-FLIBITNWSA-N -1 3 364.796 3.434 20 30 FGEDHM CC[C@@H](Sc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736388958 599198602 /nfs/dbraw/zinc/19/86/02/599198602.db2.gz AAZNGRFKILIISG-MRXNPFEDSA-N -1 3 364.434 3.248 20 30 FGEDHM CC[C@@H](Sc1ccccc1)C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736388958 599198603 /nfs/dbraw/zinc/19/86/03/599198603.db2.gz AAZNGRFKILIISG-MRXNPFEDSA-N -1 3 364.434 3.248 20 30 FGEDHM C#CCCOC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nnn[n-]2)c1 ZINC000735374657 599217417 /nfs/dbraw/zinc/21/74/17/599217417.db2.gz LETJJOREHPWUMC-UHFFFAOYSA-N -1 3 368.780 3.493 20 30 FGEDHM C#CCCOC(=O)c1cccc(Oc2ccc(Cl)cc2-c2nn[n-]n2)c1 ZINC000735374657 599217420 /nfs/dbraw/zinc/21/74/20/599217420.db2.gz LETJJOREHPWUMC-UHFFFAOYSA-N -1 3 368.780 3.493 20 30 FGEDHM C=CCCOCC(=O)Nc1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000735416956 598231349 /nfs/dbraw/zinc/23/13/49/598231349.db2.gz UWVVMLPMEFEGDO-UHFFFAOYSA-N -1 3 365.393 3.190 20 30 FGEDHM C=CCCOCC(=O)Nc1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735416956 598231351 /nfs/dbraw/zinc/23/13/51/598231351.db2.gz UWVVMLPMEFEGDO-UHFFFAOYSA-N -1 3 365.393 3.190 20 30 FGEDHM N#CCCSc1ccccc1NC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737693192 598495677 /nfs/dbraw/zinc/49/56/77/598495677.db2.gz DXKYEGLEVWBHPV-UHFFFAOYSA-N -1 3 364.434 3.054 20 30 FGEDHM N#CCCSc1ccccc1NC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737693192 598495679 /nfs/dbraw/zinc/49/56/79/598495679.db2.gz DXKYEGLEVWBHPV-UHFFFAOYSA-N -1 3 364.434 3.054 20 30 FGEDHM N#Cc1nc(NCCSCc2ccccc2-c2nnn[n-]2)ccc1Cl ZINC000737731617 598572362 /nfs/dbraw/zinc/57/23/62/598572362.db2.gz UTAVJXORROHTFH-UHFFFAOYSA-N -1 3 371.857 3.132 20 30 FGEDHM N#Cc1nc(NCCSCc2ccccc2-c2nn[n-]n2)ccc1Cl ZINC000737731617 598572363 /nfs/dbraw/zinc/57/23/63/598572363.db2.gz UTAVJXORROHTFH-UHFFFAOYSA-N -1 3 371.857 3.132 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(C)c(F)c2)c(-c2nnn[n-]2)c2n1CCC2 ZINC000737331663 598640846 /nfs/dbraw/zinc/64/08/46/598640846.db2.gz YHYUTHWQRBTZIV-FPLPWBNLSA-N -1 3 351.385 3.266 20 30 FGEDHM Cc1c(C(=O)C=Cc2ccc(C)c(F)c2)c(-c2nn[n-]n2)c2n1CCC2 ZINC000737331663 598640847 /nfs/dbraw/zinc/64/08/47/598640847.db2.gz YHYUTHWQRBTZIV-FPLPWBNLSA-N -1 3 351.385 3.266 20 30 FGEDHM C=CCN(CC1CCCCC1)C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000735417131 598760629 /nfs/dbraw/zinc/76/06/29/598760629.db2.gz ZQABYKAWSGCPPN-UHFFFAOYSA-N -1 3 354.458 3.145 20 30 FGEDHM C=CCN(CC1CCCCC1)C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000735417131 598760631 /nfs/dbraw/zinc/76/06/31/598760631.db2.gz ZQABYKAWSGCPPN-UHFFFAOYSA-N -1 3 354.458 3.145 20 30 FGEDHM N#CC1(C(=O)Nc2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)CCCC1 ZINC000822801660 599695532 /nfs/dbraw/zinc/69/55/32/599695532.db2.gz LRFBXUQHWSURKQ-UHFFFAOYSA-N -1 3 365.422 3.013 20 30 FGEDHM N#CC1(C(=O)Nc2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)CCCC1 ZINC000822801660 599695533 /nfs/dbraw/zinc/69/55/33/599695533.db2.gz LRFBXUQHWSURKQ-UHFFFAOYSA-N -1 3 365.422 3.013 20 30 FGEDHM N#Cc1ccc([C@H](C(=O)[O-])N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000739103554 600561748 /nfs/dbraw/zinc/56/17/48/600561748.db2.gz BQJBPFMVJJYIBS-GOSISDBHSA-N -1 3 355.825 3.160 20 30 FGEDHM CCCOc1ccc(CN[C@@H](C(=O)[O-])c2ccc(C#N)cc2)cc1OC ZINC000737032308 600593648 /nfs/dbraw/zinc/59/36/48/600593648.db2.gz ZWLSRYZRVSSIKL-LJQANCHMSA-N -1 3 354.406 3.271 20 30 FGEDHM C=CCSc1nc2ccccc2n1CN1CCSC[C@H]1CC(=O)[O-] ZINC000736114147 600702954 /nfs/dbraw/zinc/70/29/54/600702954.db2.gz IFPYZSXTROWMSG-CYBMUJFWSA-N -1 3 363.508 3.164 20 30 FGEDHM C[C@@H](C(=O)[O-])[C@@H](NCC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000826053137 601204887 /nfs/dbraw/zinc/20/48/87/601204887.db2.gz ILGRIAUVJXVKQK-KZULUSFZSA-N -1 3 371.824 3.202 20 30 FGEDHM N#Cc1cccc([C@H](NCc2ccc(Br)c(F)c2)C(=O)[O-])c1 ZINC000833075549 601303460 /nfs/dbraw/zinc/30/34/60/601303460.db2.gz MARWHCDVUWILDZ-HNNXBMFYSA-N -1 3 363.186 3.375 20 30 FGEDHM CC(C)C[C@@H](CN=Nc1ccc(-c2nnn[n-]2)cc1)NC(=O)OC(C)(C)C ZINC000824229619 607530186 /nfs/dbraw/zinc/53/01/86/607530186.db2.gz SZCDDAVUSJREMB-HNNXBMFYSA-N -1 3 373.461 3.204 20 30 FGEDHM CC(C)C[C@@H](CN=Nc1ccc(-c2nn[n-]n2)cc1)NC(=O)OC(C)(C)C ZINC000824229619 607530188 /nfs/dbraw/zinc/53/01/88/607530188.db2.gz SZCDDAVUSJREMB-HNNXBMFYSA-N -1 3 373.461 3.204 20 30 FGEDHM CN(CCOc1ccc(C#N)cc1)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830791508 601904306 /nfs/dbraw/zinc/90/43/06/601904306.db2.gz DESSREVMSPPXJV-QGZVFWFLSA-N -1 3 364.323 3.112 20 30 FGEDHM Fc1cc(-c2nnn[n-]2)ccc1C=NNc1ccc(C(F)(F)F)cc1 ZINC000826371827 607533417 /nfs/dbraw/zinc/53/34/17/607533417.db2.gz WBYUPFUBVDJGBY-UHFFFAOYSA-N -1 3 350.279 3.471 20 30 FGEDHM Fc1cc(-c2nn[n-]n2)ccc1C=NNc1ccc(C(F)(F)F)cc1 ZINC000826371827 607533418 /nfs/dbraw/zinc/53/34/18/607533418.db2.gz WBYUPFUBVDJGBY-UHFFFAOYSA-N -1 3 350.279 3.471 20 30 FGEDHM CCC[C@H](NC(=O)[O-])C(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000739306946 602671051 /nfs/dbraw/zinc/67/10/51/602671051.db2.gz YSMGVHOAGWIGDU-KBPBESRZSA-N -1 3 373.434 3.431 20 30 FGEDHM CCC(=CC(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1)c1ccc(OC)cc1 ZINC000825029359 607587210 /nfs/dbraw/zinc/58/72/10/607587210.db2.gz QKONEGZTXWROCM-JLHYYAGUSA-N -1 3 374.404 3.179 20 30 FGEDHM CCC(=CC(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1)c1ccc(OC)cc1 ZINC000825029359 607587212 /nfs/dbraw/zinc/58/72/12/607587212.db2.gz QKONEGZTXWROCM-JLHYYAGUSA-N -1 3 374.404 3.179 20 30 FGEDHM CCCCc1ccc(NC(=O)C(C#N)C(=O)[C@H]2CC[C@H](NC(=O)[O-])C2)cc1 ZINC000826847796 604221057 /nfs/dbraw/zinc/22/10/57/604221057.db2.gz NZLIXHQQLHMPGL-BHYGNILZSA-N -1 3 371.437 3.113 20 30 FGEDHM C[C@@H]1CC(=Cc2cnc3ccc(-c4nnn[n-]4)cn23)C(=O)c2ccccc21 ZINC000824857646 607680534 /nfs/dbraw/zinc/68/05/34/607680534.db2.gz DPWHAPVULCADHI-OJLMPMFISA-N -1 3 356.389 3.288 20 30 FGEDHM C[C@@H]1CC(=Cc2cnc3ccc(-c4nn[n-]n4)cn23)C(=O)c2ccccc21 ZINC000824857646 607680535 /nfs/dbraw/zinc/68/05/35/607680535.db2.gz DPWHAPVULCADHI-OJLMPMFISA-N -1 3 356.389 3.288 20 30 FGEDHM CN(C(=O)CN[C@@H](c1ccccc1)C(C)(C)C(=O)[O-])C1(C#N)CCCCC1 ZINC000833685884 605181952 /nfs/dbraw/zinc/18/19/52/605181952.db2.gz MBPNUZGDRLBQNK-SFHVURJKSA-N -1 3 371.481 3.113 20 30 FGEDHM Cc1cc(C=NNc2ccc(-c3nn[n-]n3)cc2)ccc1Br ZINC000822199101 606035854 /nfs/dbraw/zinc/03/58/54/606035854.db2.gz WOGXEVDZKDUAIT-UHFFFAOYSA-N -1 3 357.215 3.384 20 30 FGEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4nnn[n-]4)c[nH]3)cc2)cc1 ZINC000822832873 606264016 /nfs/dbraw/zinc/26/40/16/606264016.db2.gz HFRPQSIEGJBAMM-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4nn[n-]n4)c[nH]3)cc2)cc1 ZINC000822832873 606264018 /nfs/dbraw/zinc/26/40/18/606264018.db2.gz HFRPQSIEGJBAMM-UHFFFAOYSA-N -1 3 371.360 3.111 20 30 FGEDHM N#Cc1csc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)c1 ZINC000822846012 606519916 /nfs/dbraw/zinc/51/99/16/606519916.db2.gz NLEZUNFUWFYBRL-UHFFFAOYSA-N -1 3 364.312 3.071 20 30 FGEDHM N#Cc1csc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)c1 ZINC000822846012 606519918 /nfs/dbraw/zinc/51/99/18/606519918.db2.gz NLEZUNFUWFYBRL-UHFFFAOYSA-N -1 3 364.312 3.071 20 30 FGEDHM Fc1cccc(C=NOCc2ccc(-c3nnn[n-]3)cc2OC(F)F)c1 ZINC000822787284 606595814 /nfs/dbraw/zinc/59/58/14/606595814.db2.gz XDUNBTZIWJVMSB-UHFFFAOYSA-N -1 3 363.299 3.158 20 30 FGEDHM Fc1cccc(C=NOCc2ccc(-c3nn[n-]n3)cc2OC(F)F)c1 ZINC000822787284 606595815 /nfs/dbraw/zinc/59/58/15/606595815.db2.gz XDUNBTZIWJVMSB-UHFFFAOYSA-N -1 3 363.299 3.158 20 30 FGEDHM N#Cc1ccc(Cl)cc1OCc1cn2ccccc2c1-c1nnn[n-]1 ZINC000822825908 606783853 /nfs/dbraw/zinc/78/38/53/606783853.db2.gz QTGJYCAYHVCXLJ-UHFFFAOYSA-N -1 3 350.769 3.223 20 30 FGEDHM N#Cc1ccc(Cl)cc1OCc1cn2ccccc2c1-c1nn[n-]n1 ZINC000822825908 606783854 /nfs/dbraw/zinc/78/38/54/606783854.db2.gz QTGJYCAYHVCXLJ-UHFFFAOYSA-N -1 3 350.769 3.223 20 30 FGEDHM N#CC1(OC(=O)c2cccc(Oc3ccc(-c4nnn[n-]4)cc3)c2)CCC1 ZINC000822801985 606802316 /nfs/dbraw/zinc/80/23/16/606802316.db2.gz SQYSGILXQFFIDU-UHFFFAOYSA-N -1 3 361.361 3.262 20 30 FGEDHM N#CC1(OC(=O)c2cccc(Oc3ccc(-c4nn[n-]n4)cc3)c2)CCC1 ZINC000822801985 606802317 /nfs/dbraw/zinc/80/23/17/606802317.db2.gz SQYSGILXQFFIDU-UHFFFAOYSA-N -1 3 361.361 3.262 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000822801691 607070418 /nfs/dbraw/zinc/07/04/18/607070418.db2.gz MOISLSCYCAGOGH-MOPGFXCFSA-N -1 3 362.412 3.278 20 30 FGEDHM N#C[C@@H](c1ccccc1)[C@@H]1CCCN1Cc1cc(F)ccc1-c1nn[n-]n1 ZINC000822801692 607070804 /nfs/dbraw/zinc/07/08/04/607070804.db2.gz MOISLSCYCAGOGH-OALUTQOASA-N -1 3 362.412 3.278 20 30 FGEDHM N#Cc1ccc(Cl)cc1NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000822826431 607163020 /nfs/dbraw/zinc/16/30/20/607163020.db2.gz XZSVYZQYPWFIBB-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1ccc(Cl)cc1NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000822826431 607163022 /nfs/dbraw/zinc/16/30/22/607163022.db2.gz XZSVYZQYPWFIBB-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM COc1ccc2c(c1)CCC(=Cc1ccc(F)c(-c3nnn[n-]3)c1)C2=O ZINC000826211935 607915652 /nfs/dbraw/zinc/91/56/52/607915652.db2.gz APNCHQKLXBHSFL-MDWZMJQESA-N -1 3 350.353 3.227 20 30 FGEDHM COc1ccc2c(c1)CCC(=Cc1ccc(F)c(-c3nn[n-]n3)c1)C2=O ZINC000826211935 607915653 /nfs/dbraw/zinc/91/56/53/607915653.db2.gz APNCHQKLXBHSFL-MDWZMJQESA-N -1 3 350.353 3.227 20 30 FGEDHM CCc1c(C)sc(NC(=O)c2ccc(CC#N)cc2)c1-c1nnn[n-]1 ZINC000825688401 608004009 /nfs/dbraw/zinc/00/40/09/608004009.db2.gz YOIINGSUAFYPFG-UHFFFAOYSA-N -1 3 352.423 3.117 20 30 FGEDHM CCc1c(C)sc(NC(=O)c2ccc(CC#N)cc2)c1-c1nn[n-]n1 ZINC000825688401 608004010 /nfs/dbraw/zinc/00/40/10/608004010.db2.gz YOIINGSUAFYPFG-UHFFFAOYSA-N -1 3 352.423 3.117 20 30 FGEDHM CC#CCNC(=O)c1ccc(Oc2ccccc2-c2nnn[n-]2)c(Cl)c1 ZINC000823943784 608102852 /nfs/dbraw/zinc/10/28/52/608102852.db2.gz SVVMAUPUIAMIPY-UHFFFAOYSA-N -1 3 367.796 3.066 20 30 FGEDHM CC#CCNC(=O)c1ccc(Oc2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC000823943784 608102853 /nfs/dbraw/zinc/10/28/53/608102853.db2.gz SVVMAUPUIAMIPY-UHFFFAOYSA-N -1 3 367.796 3.066 20 30 FGEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826477066 608109748 /nfs/dbraw/zinc/10/97/48/608109748.db2.gz VAVLMYOZCLIZSL-GFHWABCWSA-N -1 3 368.400 3.214 20 30 FGEDHM O=C1c2cccc3c2[C@H](CCC3)C1=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826477066 608109749 /nfs/dbraw/zinc/10/97/49/608109749.db2.gz VAVLMYOZCLIZSL-GFHWABCWSA-N -1 3 368.400 3.214 20 30 FGEDHM C=C(C)CN(CC)C(=O)CSc1cccc(Cl)c1-c1nnn[n-]1 ZINC000823877957 608205452 /nfs/dbraw/zinc/20/54/52/608205452.db2.gz KRRBDUACJTYWIB-UHFFFAOYSA-N -1 3 351.863 3.037 20 30 FGEDHM C=C(C)CN(CC)C(=O)CSc1cccc(Cl)c1-c1nn[n-]n1 ZINC000823877957 608205453 /nfs/dbraw/zinc/20/54/53/608205453.db2.gz KRRBDUACJTYWIB-UHFFFAOYSA-N -1 3 351.863 3.037 20 30 FGEDHM CCC(N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1)c1cc(C)ccc1OC ZINC000825029756 608218305 /nfs/dbraw/zinc/21/83/05/608218305.db2.gz ZCBQANSUBQNRMH-UHFFFAOYSA-N -1 3 371.832 3.458 20 30 FGEDHM CCC(N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cc(C)ccc1OC ZINC000825029756 608218307 /nfs/dbraw/zinc/21/83/07/608218307.db2.gz ZCBQANSUBQNRMH-UHFFFAOYSA-N -1 3 371.832 3.458 20 30 FGEDHM CCOc1ccc(C(C)=NNc2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000825632121 608228742 /nfs/dbraw/zinc/22/87/42/608228742.db2.gz LQHQQYLSNAPQOV-UHFFFAOYSA-N -1 3 367.369 3.010 20 30 FGEDHM CCOc1ccc(C(C)=NNc2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000825632121 608228744 /nfs/dbraw/zinc/22/87/44/608228744.db2.gz LQHQQYLSNAPQOV-UHFFFAOYSA-N -1 3 367.369 3.010 20 30 FGEDHM C=CC[C@H](C)NC(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000823888514 608355541 /nfs/dbraw/zinc/35/55/41/608355541.db2.gz PFJVRCUMCYSMSB-AWEZNQCLSA-N -1 3 362.437 3.298 20 30 FGEDHM C=CC[C@H](C)NC(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000823888514 608355543 /nfs/dbraw/zinc/35/55/43/608355543.db2.gz PFJVRCUMCYSMSB-AWEZNQCLSA-N -1 3 362.437 3.298 20 30 FGEDHM CC(CCc1ccc(O)cc1)N=Nc1cc(-c2nnn[n-]2)cc(Cl)n1 ZINC000824406525 608541447 /nfs/dbraw/zinc/54/14/47/608541447.db2.gz MCLSNLDYSNCGDE-UHFFFAOYSA-N -1 3 357.805 3.041 20 30 FGEDHM CC(CCc1ccc(O)cc1)N=Nc1cc(-c2nn[n-]n2)cc(Cl)n1 ZINC000824406525 608541449 /nfs/dbraw/zinc/54/14/49/608541449.db2.gz MCLSNLDYSNCGDE-UHFFFAOYSA-N -1 3 357.805 3.041 20 30 FGEDHM N#Cc1cc(NC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)ccc1Cl ZINC000826384470 608573942 /nfs/dbraw/zinc/57/39/42/608573942.db2.gz WQMNREFGQNHDLA-UHFFFAOYSA-N -1 3 359.176 3.297 20 30 FGEDHM N#Cc1cc(NC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)ccc1Cl ZINC000826384470 608573943 /nfs/dbraw/zinc/57/39/43/608573943.db2.gz WQMNREFGQNHDLA-UHFFFAOYSA-N -1 3 359.176 3.297 20 30 FGEDHM CC(=NNCc1cnc2ccccc2c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953542 609160117 /nfs/dbraw/zinc/16/01/17/609160117.db2.gz FVEQYWLUJIKFCV-UHFFFAOYSA-N -1 3 361.384 3.068 20 30 FGEDHM CC(=NNCc1cnc2ccccc2c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953542 609160118 /nfs/dbraw/zinc/16/01/18/609160118.db2.gz FVEQYWLUJIKFCV-UHFFFAOYSA-N -1 3 361.384 3.068 20 30 FGEDHM CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825265770 609248485 /nfs/dbraw/zinc/24/84/85/609248485.db2.gz AZFQVUZROHAMOH-XJKSGUPXSA-N -1 3 358.446 3.015 20 30 FGEDHM CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825265770 609248487 /nfs/dbraw/zinc/24/84/87/609248487.db2.gz AZFQVUZROHAMOH-XJKSGUPXSA-N -1 3 358.446 3.015 20 30 FGEDHM O=C(C=Cc1cccc(Br)n1)c1ccc(-c2nnn[n-]2)cc1F ZINC000826400674 609271346 /nfs/dbraw/zinc/27/13/46/609271346.db2.gz DZRMAUJEVOTWOX-ALCCZGGFSA-N -1 3 374.173 3.059 20 30 FGEDHM O=C(C=Cc1cccc(Br)n1)c1ccc(-c2nn[n-]n2)cc1F ZINC000826400674 609271348 /nfs/dbraw/zinc/27/13/48/609271348.db2.gz DZRMAUJEVOTWOX-ALCCZGGFSA-N -1 3 374.173 3.059 20 30 FGEDHM Cn1cc(C=CC(=O)c2ccsc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359709 609309853 /nfs/dbraw/zinc/30/98/53/609309853.db2.gz OQGAKWMMBRMHAG-SREVYHEPSA-N -1 3 362.418 3.225 20 30 FGEDHM Cn1cc(C=CC(=O)c2ccsc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359709 609309855 /nfs/dbraw/zinc/30/98/55/609309855.db2.gz OQGAKWMMBRMHAG-SREVYHEPSA-N -1 3 362.418 3.225 20 30 FGEDHM COc1ccc(NN=Cc2c[nH]c3ccc(-c4nnn[n-]4)cc23)cc1Cl ZINC000826210362 609449487 /nfs/dbraw/zinc/44/94/87/609449487.db2.gz OFOAMLWGWNMFTF-UHFFFAOYSA-N -1 3 367.800 3.456 20 30 FGEDHM COc1ccc(NN=Cc2c[nH]c3ccc(-c4nn[n-]n4)cc23)cc1Cl ZINC000826210362 609449489 /nfs/dbraw/zinc/44/94/89/609449489.db2.gz OFOAMLWGWNMFTF-UHFFFAOYSA-N -1 3 367.800 3.456 20 30 FGEDHM N#CCc1ccc(CSc2nc3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000826382471 609486562 /nfs/dbraw/zinc/48/65/62/609486562.db2.gz GGIYXPQZPYJGQO-UHFFFAOYSA-N -1 3 362.462 3.499 20 30 FGEDHM N#CCc1ccc(CSc2nc3c(cc2-c2nn[n-]n2)CCCC3)cc1 ZINC000826382471 609486563 /nfs/dbraw/zinc/48/65/63/609486563.db2.gz GGIYXPQZPYJGQO-UHFFFAOYSA-N -1 3 362.462 3.499 20 30 FGEDHM [O-]c1ccc(Br)cc1/C=N/[C@@H]1CCCN(c2ncccn2)C1 ZINC000044012271 695799991 /nfs/dbraw/zinc/79/99/91/695799991.db2.gz SBISRCRJPORKSU-DGURAOSJSA-N -1 3 361.243 3.033 20 30 FGEDHM [O-]c1ccc(Br)cc1/C=N/Cc1ccc(Cn2cncn2)cc1 ZINC000193062651 712881581 /nfs/dbraw/zinc/88/15/81/712881581.db2.gz VYFHQBLLWZIDLL-DJKKODMXSA-N -1 3 371.238 3.414 20 30 FGEDHM CN(Cc1ccccc1)C(=O)C/N=C/c1cc(Br)ccc1[O-] ZINC000193678015 713494537 /nfs/dbraw/zinc/49/45/37/713494537.db2.gz KUGJSOVHHQEWIF-VXLYETTFSA-N -1 3 361.239 3.232 20 30 FGEDHM Cc1ccc(-n2cnnn2)cc1N=Cc1cc(Br)ccc1[O-] ZINC000255194367 713687526 /nfs/dbraw/zinc/68/75/26/713687526.db2.gz GZPWHCLPIBZPSZ-UHFFFAOYSA-N -1 3 358.199 3.189 20 30 FGEDHM O=C(NCc1nc(C(F)(F)F)n[n-]1)N[C@H]1CCCc2ccc(F)cc21 ZINC000329950467 713833382 /nfs/dbraw/zinc/83/33/82/713833382.db2.gz HURFUPMSTDVJNT-NSHDSACASA-N -1 3 357.311 3.044 20 30 FGEDHM C[C@H]([N-]C(=O)c1cc(F)c(F)c(F)c1F)c1nc(C(F)(F)F)no1 ZINC000627811157 716072931 /nfs/dbraw/zinc/07/29/31/716072931.db2.gz OKXLHCBOSOOPEK-VKHMYHEASA-N -1 3 357.185 3.136 20 30 FGEDHM COc1ccc(C=NN[C@H]2CCOC(C)(C)C2)c(Br)c1[O-] ZINC000780253094 724455935 /nfs/dbraw/zinc/45/59/35/724455935.db2.gz ONUMBNMDGXZAOY-NSHDSACASA-N -1 3 357.248 3.044 20 30 FGEDHM C#C[C@H](NC(=O)c1cc(OC)c([O-])c(OC)c1)c1ccc(Cl)cc1F ZINC000804418045 724513760 /nfs/dbraw/zinc/51/37/60/724513760.db2.gz AWKNPMWAOKPMJH-AWEZNQCLSA-N -1 3 363.772 3.306 20 30 FGEDHM C#C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Br)C(C)(C)C ZINC000702236951 722410432 /nfs/dbraw/zinc/41/04/32/722410432.db2.gz ULKBKVSJNYZASC-NSHDSACASA-N -1 3 364.692 3.429 20 30 FGEDHM COc1cc(C=NNC(=S)NCc2ccc(F)cc2)cc(Cl)c1[O-] ZINC000730561636 722469232 /nfs/dbraw/zinc/46/92/32/722469232.db2.gz GWEANJMGUAOFGP-UHFFFAOYSA-N -1 3 367.833 3.192 20 30 FGEDHM C[C@H]1CC(=N[N-]c2[nH+]cnc3[n-]cnc32)c2cccc(Br)c21 ZINC000743437298 722567432 /nfs/dbraw/zinc/56/74/32/722567432.db2.gz FBZRABMZCVUMOU-QMMMGPOBSA-N -1 3 357.215 3.439 20 30 FGEDHM COc1cc(C=NN2C(=S)N=NC2[C@H]2CCCCO2)cc(Cl)c1[O-] ZINC000743452415 722567719 /nfs/dbraw/zinc/56/77/19/722567719.db2.gz QVDLZOHJXKXDQS-LLVKDONJSA-N -1 3 368.846 3.058 20 30 FGEDHM C#CCNC(=O)[C@H](C)OC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000746077797 722593111 /nfs/dbraw/zinc/59/31/11/722593111.db2.gz BOEMEPDNNJSLHM-LBPRGKRZSA-N -1 3 357.793 3.007 20 30 FGEDHM COC(=O)Nc1ccc(C(=O)OCC#Cc2ccccc2Cl)cc1[O-] ZINC000747080039 722629891 /nfs/dbraw/zinc/62/98/91/722629891.db2.gz PDIWRINFVOXNDY-UHFFFAOYSA-N -1 3 359.765 3.432 20 30 FGEDHM CC(N=Nc1nc(Br)cn2ccnc12)c1ccc([O-])c(F)c1 ZINC000749863271 722745332 /nfs/dbraw/zinc/74/53/32/722745332.db2.gz RKVXJAANTPTRBG-UHFFFAOYSA-N -1 3 364.178 3.173 20 30 FGEDHM N#Cc1ccc(OCC[N-]C(=O)C(F)(F)c2c(F)cccc2F)cc1 ZINC000757031250 722973452 /nfs/dbraw/zinc/97/34/52/722973452.db2.gz PTUVRBWICJXPOW-UHFFFAOYSA-N -1 3 352.287 3.123 20 30 FGEDHM [O-]c1c(O)cc(C=NNc2ccnc3ccccc32)cc1Br ZINC000757573749 722977099 /nfs/dbraw/zinc/97/70/99/722977099.db2.gz FBODCFHVBAJTLD-UHFFFAOYSA-N -1 3 358.195 3.276 20 30 FGEDHM COc1ccc(C=NNc2ccc3n[nH]cc3c2)c(Br)c1[O-] ZINC000761010689 723112652 /nfs/dbraw/zinc/11/26/52/723112652.db2.gz BPQUFZVXNIPKHW-UHFFFAOYSA-N -1 3 361.199 3.486 20 30 FGEDHM O=C1Nc2c(c(Cl)ccc2F)C1=N[N-]c1cccc(F)c1[N+](=O)[O-] ZINC000790308855 723125775 /nfs/dbraw/zinc/12/57/75/723125775.db2.gz PRAHHCUXMSLGOT-UHFFFAOYSA-N -1 3 352.684 3.295 20 30 FGEDHM CS(=O)(=O)c1ccc(C/N=C/c2cc(Br)ccc2[O-])s1 ZINC000787139736 725017753 /nfs/dbraw/zinc/01/77/53/725017753.db2.gz BFTNMGILIWZXGW-VIZOYTHASA-N -1 3 374.281 3.239 20 30 FGEDHM COc1ccc(C[C@@](C)(O)C/N=C/c2cc(Cl)ccc2[O-])cc1OC ZINC000811625950 725375168 /nfs/dbraw/zinc/37/51/68/725375168.db2.gz ZHXCFGWHXFEQIY-GWJWUGQSSA-N -1 3 363.841 3.475 20 30 FGEDHM C=CCCCS(=O)(=O)[N-][C@H](C(=O)OCc1ccccc1)C(C)(C)C ZINC000813688548 726905526 /nfs/dbraw/zinc/90/55/26/726905526.db2.gz PEAGONJORYRCGN-MRXNPFEDSA-N -1 3 353.484 3.030 20 30 FGEDHM CCc1ccc(C#CC(=O)NCc2ccc([O-])c(Br)c2)cc1 ZINC000815836725 727100909 /nfs/dbraw/zinc/10/09/09/727100909.db2.gz NBBQMBKEFKVIPN-UHFFFAOYSA-N -1 3 358.235 3.385 20 30 FGEDHM O=C(N[C@H]1CCCN([O-])C1=O)c1ccccc1SCc1cccs1 ZINC000816754066 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FGEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735503053 598495481 /nfs/dbraw/zinc/49/54/81/598495481.db2.gz IIEMCFNUWZXPCQ-LBPRGKRZSA-N -1 3 364.434 3.371 20 30 FGEDHM C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735503053 598495482 /nfs/dbraw/zinc/49/54/82/598495482.db2.gz IIEMCFNUWZXPCQ-LBPRGKRZSA-N -1 3 364.434 3.371 20 30 FGEDHM C#Cc1cccc(N(C(=O)C=Cc2ccccc2-c2nnn[n-]2)C(C)C)c1 ZINC000735389402 598608623 /nfs/dbraw/zinc/60/86/23/598608623.db2.gz BMFOASSDOAMXIA-OUKQBFOZSA-N -1 3 357.417 3.303 20 30 FGEDHM C#Cc1cccc(N(C(=O)C=Cc2ccccc2-c2nn[n-]n2)C(C)C)c1 ZINC000735389402 598608625 /nfs/dbraw/zinc/60/86/25/598608625.db2.gz BMFOASSDOAMXIA-OUKQBFOZSA-N -1 3 357.417 3.303 20 30 FGEDHM C=CCN(CCc1ccccc1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735418338 598626703 /nfs/dbraw/zinc/62/67/03/598626703.db2.gz BCZDQJRSCFLUHB-UHFFFAOYSA-N -1 3 366.400 3.268 20 30 FGEDHM C=CCN(CCc1ccccc1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000735418338 598626704 /nfs/dbraw/zinc/62/67/04/598626704.db2.gz BCZDQJRSCFLUHB-UHFFFAOYSA-N -1 3 366.400 3.268 20 30 FGEDHM C=CCN(CC1CCCCC1)C(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000735416412 598752624 /nfs/dbraw/zinc/75/26/24/598752624.db2.gz JBVCFYRSYPQSBQ-OAHLLOKOSA-N -1 3 369.469 3.229 20 30 FGEDHM C=CCc1ccccc1OCc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000819758677 599381104 /nfs/dbraw/zinc/38/11/04/599381104.db2.gz FSJUAMPVIMMRAN-UHFFFAOYSA-N -1 3 360.377 3.224 20 30 FGEDHM C=CCc1ccccc1OCc1nnc(-c2cccc(-c3nn[n-]n3)c2)o1 ZINC000819758677 599381108 /nfs/dbraw/zinc/38/11/08/599381108.db2.gz FSJUAMPVIMMRAN-UHFFFAOYSA-N -1 3 360.377 3.224 20 30 FGEDHM CC(C)Oc1ccc(NCc2ccc(-c3nnn[n-]3)cc2F)cc1C#N ZINC000820173536 607373880 /nfs/dbraw/zinc/37/38/80/607373880.db2.gz GRCWBXOXIGMPHJ-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM CC(C)Oc1ccc(NCc2ccc(-c3nn[n-]n3)cc2F)cc1C#N ZINC000820173536 607373882 /nfs/dbraw/zinc/37/38/82/607373882.db2.gz GRCWBXOXIGMPHJ-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM C=CCCCN(C)C(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000735413389 599467749 /nfs/dbraw/zinc/46/77/49/599467749.db2.gz TTXGVUGSDCFCBH-UHFFFAOYSA-N -1 3 367.409 3.077 20 30 FGEDHM C=CCCCN(C)C(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000735413389 599467751 /nfs/dbraw/zinc/46/77/51/599467751.db2.gz TTXGVUGSDCFCBH-UHFFFAOYSA-N -1 3 367.409 3.077 20 30 FGEDHM CC[C@@H](Sc1nc(N)c(-c2nnn[n-]2)cc1C#N)c1ccc(F)cc1F ZINC000736391822 599518459 /nfs/dbraw/zinc/51/84/59/599518459.db2.gz PGPMIDDSBXJWRC-CYBMUJFWSA-N -1 3 373.392 3.237 20 30 FGEDHM CC[C@@H](Sc1nc(N)c(-c2nn[n-]n2)cc1C#N)c1ccc(F)cc1F ZINC000736391822 599518460 /nfs/dbraw/zinc/51/84/60/599518460.db2.gz PGPMIDDSBXJWRC-CYBMUJFWSA-N -1 3 373.392 3.237 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccc(C)s1 ZINC000819745576 599549396 /nfs/dbraw/zinc/54/93/96/599549396.db2.gz KSNFXBDUXZYIGV-UHFFFAOYSA-N -1 3 354.439 3.457 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccc(C)s1 ZINC000819745576 599549397 /nfs/dbraw/zinc/54/93/97/599549397.db2.gz KSNFXBDUXZYIGV-UHFFFAOYSA-N -1 3 354.439 3.457 20 30 FGEDHM CCC[C@@H](C#N)NC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736414948 599567349 /nfs/dbraw/zinc/56/73/49/599567349.db2.gz BIKHSCNLWULBQV-KRWDZBQOSA-N -1 3 361.409 3.032 20 30 FGEDHM C=CCC[C@H](NC(=O)COc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000819733888 607404595 /nfs/dbraw/zinc/40/45/95/607404595.db2.gz DQLPPNXECWCDEC-KRWDZBQOSA-N -1 3 363.421 3.069 20 30 FGEDHM C=CCC[C@H](NC(=O)COc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000819733888 607404596 /nfs/dbraw/zinc/40/45/96/607404596.db2.gz DQLPPNXECWCDEC-KRWDZBQOSA-N -1 3 363.421 3.069 20 30 FGEDHM CC1CCN(c2ccc(CN[C@@H](C(=O)[O-])c3ccc(C#N)cc3)cn2)CC1 ZINC000736798946 600594698 /nfs/dbraw/zinc/59/46/98/600594698.db2.gz JTSGSDXSQBUOTM-HXUWFJFHSA-N -1 3 364.449 3.105 20 30 FGEDHM CCCCNC(=O)c1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1 ZINC000829402538 601300947 /nfs/dbraw/zinc/30/09/47/601300947.db2.gz WMVIOHOEESWDJT-LJQANCHMSA-N -1 3 365.433 3.004 20 30 FGEDHM Cc1sc(NC(=O)CN[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c(C#N)c1C ZINC000833036224 601658537 /nfs/dbraw/zinc/65/85/37/601658537.db2.gz IAZCXFYOZZYRFS-SJKOYZFVSA-N -1 3 371.462 3.227 20 30 FGEDHM N#CCC[C@@H](NC(=S)Nc1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000826381808 607649172 /nfs/dbraw/zinc/64/91/72/607649172.db2.gz ZUQXBEOWFOOZAS-OAHLLOKOSA-N -1 3 363.450 3.198 20 30 FGEDHM N#CCC[C@@H](NC(=S)Nc1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000826381808 607649174 /nfs/dbraw/zinc/64/91/74/607649174.db2.gz ZUQXBEOWFOOZAS-OAHLLOKOSA-N -1 3 363.450 3.198 20 30 FGEDHM C=CCN(Cc1ccccc1F)C(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000823919969 607667286 /nfs/dbraw/zinc/66/72/86/607667286.db2.gz UZDSNBPMCTZVTR-UHFFFAOYSA-N -1 3 351.385 3.143 20 30 FGEDHM C=CCN(Cc1ccccc1F)C(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000823919969 607667287 /nfs/dbraw/zinc/66/72/87/607667287.db2.gz UZDSNBPMCTZVTR-UHFFFAOYSA-N -1 3 351.385 3.143 20 30 FGEDHM N#CC(C(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1nc2ccccc2[nH]1 ZINC000831064754 604152629 /nfs/dbraw/zinc/15/26/29/604152629.db2.gz MOTSUWDIOZKWAF-WTUNAVPPSA-N -1 3 352.394 3.050 20 30 FGEDHM Cc1ccc(N=C2NN=C(c3ccc(-c4nnn[n-]4)cc3)CS2)c(C)c1 ZINC000822254153 606020442 /nfs/dbraw/zinc/02/04/42/606020442.db2.gz BIAMYSFTOZNNND-UHFFFAOYSA-N -1 3 363.450 3.212 20 30 FGEDHM Cc1ccc(N=C2NN=C(c3ccc(-c4nn[n-]n4)cc3)CS2)c(C)c1 ZINC000822254153 606020445 /nfs/dbraw/zinc/02/04/45/606020445.db2.gz BIAMYSFTOZNNND-UHFFFAOYSA-N -1 3 363.450 3.212 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cccc2[nH]ccc21 ZINC000819745379 606150538 /nfs/dbraw/zinc/15/05/38/606150538.db2.gz AGYSWIFFNQAHGR-UHFFFAOYSA-N -1 3 358.405 3.176 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cccc2[nH]ccc21 ZINC000819745379 606150540 /nfs/dbraw/zinc/15/05/40/606150540.db2.gz AGYSWIFFNQAHGR-UHFFFAOYSA-N -1 3 358.405 3.176 20 30 FGEDHM COc1ccc(C=C2CCc3cc(F)ccc3C2=O)cc1-c1nnn[n-]1 ZINC000821787395 606154502 /nfs/dbraw/zinc/15/45/02/606154502.db2.gz SIBDTXLAQWHKMJ-MDWZMJQESA-N -1 3 350.353 3.227 20 30 FGEDHM COc1ccc(C=C2CCc3cc(F)ccc3C2=O)cc1-c1nn[n-]n1 ZINC000821787395 606154503 /nfs/dbraw/zinc/15/45/03/606154503.db2.gz SIBDTXLAQWHKMJ-MDWZMJQESA-N -1 3 350.353 3.227 20 30 FGEDHM N#C[C@@H](OC(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000822801813 606206008 /nfs/dbraw/zinc/20/60/08/606206008.db2.gz PCCNKEQKLNDEBP-QGZVFWFLSA-N -1 3 361.361 3.118 20 30 FGEDHM N#C[C@@H](OC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000822801813 606206009 /nfs/dbraw/zinc/20/60/09/606206009.db2.gz PCCNKEQKLNDEBP-QGZVFWFLSA-N -1 3 361.361 3.118 20 30 FGEDHM CCCOc1ccc2c(c1)C(=O)C(=Cc1cc(-c3nnn[n-]3)cs1)CO2 ZINC000821133549 606305260 /nfs/dbraw/zinc/30/52/60/606305260.db2.gz ALUNTAIYRSLRCB-IZZDOVSWSA-N -1 3 368.418 3.376 20 30 FGEDHM CCCOc1ccc2c(c1)C(=O)C(=Cc1cc(-c3nn[n-]n3)cs1)CO2 ZINC000821133549 606305262 /nfs/dbraw/zinc/30/52/62/606305262.db2.gz ALUNTAIYRSLRCB-IZZDOVSWSA-N -1 3 368.418 3.376 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1ncc(-c2nnn[n-]2)cc1Cl ZINC000822802303 606420361 /nfs/dbraw/zinc/42/03/61/606420361.db2.gz YZGYTNHVSIFUCH-ZBFHGGJFSA-N -1 3 365.828 3.191 20 30 FGEDHM N#C[C@H](c1ccccc1)[C@@H]1CCCN1c1ncc(-c2nn[n-]n2)cc1Cl ZINC000822802303 606420362 /nfs/dbraw/zinc/42/03/62/606420362.db2.gz YZGYTNHVSIFUCH-ZBFHGGJFSA-N -1 3 365.828 3.191 20 30 FGEDHM C=C[C@H](C)NC(=O)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000819730347 606814863 /nfs/dbraw/zinc/81/48/63/606814863.db2.gz WWYDBHUAFFWAPY-LBPRGKRZSA-N -1 3 351.435 3.322 20 30 FGEDHM C=C[C@H](C)NC(=O)c1ccccc1Sc1ccccc1-c1nn[n-]n1 ZINC000819730347 606814865 /nfs/dbraw/zinc/81/48/65/606814865.db2.gz WWYDBHUAFFWAPY-LBPRGKRZSA-N -1 3 351.435 3.322 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCC1(CC(C)C)CC1 ZINC000819743489 606835991 /nfs/dbraw/zinc/83/59/91/606835991.db2.gz KMSLUBOPDYDCMY-UHFFFAOYSA-N -1 3 368.485 3.391 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCC1(CC(C)C)CC1 ZINC000819743489 606835993 /nfs/dbraw/zinc/83/59/93/606835993.db2.gz KMSLUBOPDYDCMY-UHFFFAOYSA-N -1 3 368.485 3.391 20 30 FGEDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NCc1ccc(F)c(C#N)c1 ZINC000820154978 606926760 /nfs/dbraw/zinc/92/67/60/606926760.db2.gz FVRZGZHQFVJHHS-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NCc1ccc(F)c(C#N)c1 ZINC000820154978 606926761 /nfs/dbraw/zinc/92/67/61/606926761.db2.gz FVRZGZHQFVJHHS-UHFFFAOYSA-N -1 3 352.373 3.277 20 30 FGEDHM C#CCCCCNC(=O)c1cccc(Nc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819692462 606955345 /nfs/dbraw/zinc/95/53/45/606955345.db2.gz GLNSKRWJTKTGDO-UHFFFAOYSA-N -1 3 360.421 3.144 20 30 FGEDHM C=CCCCCCN(C)C(=O)C(C)(C)Oc1ccc(-c2nnn[n-]2)cc1 ZINC000819739806 607042581 /nfs/dbraw/zinc/04/25/81/607042581.db2.gz IKQPWDWVKRCVFV-UHFFFAOYSA-N -1 3 357.458 3.229 20 30 FGEDHM C=CCCCCCN(C)C(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000819739806 607042583 /nfs/dbraw/zinc/04/25/83/607042583.db2.gz IKQPWDWVKRCVFV-UHFFFAOYSA-N -1 3 357.458 3.229 20 30 FGEDHM C[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1cccc(-c2nnn[n-]2)c1 ZINC000820379581 607204299 /nfs/dbraw/zinc/20/42/99/607204299.db2.gz DQQLWWWVSPBFOX-JTQLQIEISA-N -1 3 367.800 3.274 20 30 FGEDHM C[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1cccc(-c2nn[n-]n2)c1 ZINC000820379581 607204300 /nfs/dbraw/zinc/20/43/00/607204300.db2.gz DQQLWWWVSPBFOX-JTQLQIEISA-N -1 3 367.800 3.274 20 30 FGEDHM CC1(C)C[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000824796235 607777127 /nfs/dbraw/zinc/77/71/27/607777127.db2.gz NIDCWDBMKVMTSJ-STQMWFEESA-N -1 3 364.434 3.213 20 30 FGEDHM CC1(C)C[C@H]1C(=O)[C@H](C#N)c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000824796235 607777128 /nfs/dbraw/zinc/77/71/28/607777128.db2.gz NIDCWDBMKVMTSJ-STQMWFEESA-N -1 3 364.434 3.213 20 30 FGEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NCCC1=CCCC1 ZINC000823909414 607806894 /nfs/dbraw/zinc/80/68/94/607806894.db2.gz CBSHKOKIILZMIT-UHFFFAOYSA-N -1 3 352.442 3.065 20 30 FGEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NCCC1=CCCC1 ZINC000823909414 607806895 /nfs/dbraw/zinc/80/68/95/607806895.db2.gz CBSHKOKIILZMIT-UHFFFAOYSA-N -1 3 352.442 3.065 20 30 FGEDHM N#Cc1ccc(SCC(=O)Nc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000826385872 607844209 /nfs/dbraw/zinc/84/42/09/607844209.db2.gz FWOGYKHWGWQFAL-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM N#Cc1ccc(SCC(=O)Nc2ccc(-c3nn[n-]n3)cc2)c(Cl)c1 ZINC000826385872 607844210 /nfs/dbraw/zinc/84/42/10/607844210.db2.gz FWOGYKHWGWQFAL-UHFFFAOYSA-N -1 3 370.825 3.123 20 30 FGEDHM C=C(C)[C@H](CC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(C)C)OCC ZINC000823873618 607889073 /nfs/dbraw/zinc/88/90/73/607889073.db2.gz OINPBGWCFRJMTK-SFHVURJKSA-N -1 3 371.485 3.223 20 30 FGEDHM C=C(C)[C@H](CC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(C)C)OCC ZINC000823873618 607889074 /nfs/dbraw/zinc/88/90/74/607889074.db2.gz OINPBGWCFRJMTK-SFHVURJKSA-N -1 3 371.485 3.223 20 30 FGEDHM C=CCN(C(=O)c1cccc(Oc2ccc(-c3nnn[n-]3)cc2)c1)C1CC1 ZINC000823903538 608249572 /nfs/dbraw/zinc/24/95/72/608249572.db2.gz CILDTVRXXUPGMC-UHFFFAOYSA-N -1 3 361.405 3.450 20 30 FGEDHM C=CCN(C(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1)C1CC1 ZINC000823903538 608249573 /nfs/dbraw/zinc/24/95/73/608249573.db2.gz CILDTVRXXUPGMC-UHFFFAOYSA-N -1 3 361.405 3.450 20 30 FGEDHM COc1cc(C#N)ccc1CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826177163 608321217 /nfs/dbraw/zinc/32/12/17/608321217.db2.gz VDNSTIRGTMMHIL-UHFFFAOYSA-N -1 3 374.326 3.378 20 30 FGEDHM COc1cc(C#N)ccc1CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826177163 608321219 /nfs/dbraw/zinc/32/12/19/608321219.db2.gz VDNSTIRGTMMHIL-UHFFFAOYSA-N -1 3 374.326 3.378 20 30 FGEDHM C=CCN(C(=O)NCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C1CC1 ZINC000823904228 608355432 /nfs/dbraw/zinc/35/54/32/608355432.db2.gz XCXOBCCKKHIARF-UHFFFAOYSA-N -1 3 374.448 3.394 20 30 FGEDHM C=CCN(C(=O)NCc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C1CC1 ZINC000823904228 608355433 /nfs/dbraw/zinc/35/54/33/608355433.db2.gz XCXOBCCKKHIARF-UHFFFAOYSA-N -1 3 374.448 3.394 20 30 FGEDHM Fc1ccc2c(c1)C(N=Nc1cc(-c3nnn[n-]3)cc(Cl)n1)CCCO2 ZINC000826375779 608541911 /nfs/dbraw/zinc/54/19/11/608541911.db2.gz BJKVNXVGIDMQLT-UHFFFAOYSA-N -1 3 373.779 3.043 20 30 FGEDHM Fc1ccc2c(c1)C(N=Nc1cc(-c3nn[n-]n3)cc(Cl)n1)CCCO2 ZINC000826375779 608541913 /nfs/dbraw/zinc/54/19/13/608541913.db2.gz BJKVNXVGIDMQLT-UHFFFAOYSA-N -1 3 373.779 3.043 20 30 FGEDHM C[C@H](C#N)CN(C)Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000824035528 608596128 /nfs/dbraw/zinc/59/61/28/608596128.db2.gz ZGEHPUKIJJJGEX-OAHLLOKOSA-N -1 3 362.437 3.037 20 30 FGEDHM C[C@H](C#N)CN(C)Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000824035528 608596132 /nfs/dbraw/zinc/59/61/32/608596132.db2.gz ZGEHPUKIJJJGEX-OAHLLOKOSA-N -1 3 362.437 3.037 20 30 FGEDHM C=CCN(Cc1c(Cl)n(C)nc1CC)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823915367 608632877 /nfs/dbraw/zinc/63/28/77/608632877.db2.gz WHPKDVQBXKOOMF-UHFFFAOYSA-N -1 3 371.876 3.004 20 30 FGEDHM C=CCN(Cc1c(Cl)n(C)nc1CC)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823915367 608632879 /nfs/dbraw/zinc/63/28/79/608632879.db2.gz WHPKDVQBXKOOMF-UHFFFAOYSA-N -1 3 371.876 3.004 20 30 FGEDHM Cc1nn(C(C)C)c(C)c1C(=O)C=Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826332901 608880207 /nfs/dbraw/zinc/88/02/07/608880207.db2.gz MCIOMYMZFHTJLQ-SOFGYWHQSA-N -1 3 354.389 3.296 20 30 FGEDHM Cc1nn(C(C)C)c(C)c1C(=O)C=Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826332901 608880209 /nfs/dbraw/zinc/88/02/09/608880209.db2.gz MCIOMYMZFHTJLQ-SOFGYWHQSA-N -1 3 354.389 3.296 20 30 FGEDHM O=C(/C=C/c1ccc(F)c(-c2nn[n-]n2)c1)c1c(Cl)nc2sccn21 ZINC000826400514 608880678 /nfs/dbraw/zinc/88/06/78/608880678.db2.gz ARBMDOHKIXNCFN-DUXPYHPUSA-N -1 3 374.788 3.265 20 30 FGEDHM C=CCN(Cc1ccccc1)C(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000823920139 609289837 /nfs/dbraw/zinc/28/98/37/609289837.db2.gz YESJVKBXBYVJEL-UHFFFAOYSA-N -1 3 353.813 3.349 20 30 FGEDHM C=CCN(Cc1ccccc1)C(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000823920139 609289839 /nfs/dbraw/zinc/28/98/39/609289839.db2.gz YESJVKBXBYVJEL-UHFFFAOYSA-N -1 3 353.813 3.349 20 30 FGEDHM COc1ccc2nc(NN=Cc3cc(-c4nn[n-]n4)cs3)c(C)cc2c1 ZINC000826213784 609307443 /nfs/dbraw/zinc/30/74/43/609307443.db2.gz MFVHWNAMHWTASH-UHFFFAOYSA-N -1 3 365.422 3.239 20 30 FGEDHM Cn1cc(C=CC(=O)c2ccc(F)cc2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359647 609308119 /nfs/dbraw/zinc/30/81/19/609308119.db2.gz MSTDQFDKMBSRMU-DHZHZOJOSA-N -1 3 374.379 3.302 20 30 FGEDHM Cn1cc(C=CC(=O)c2ccc(F)cc2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359647 609308121 /nfs/dbraw/zinc/30/81/21/609308121.db2.gz MSTDQFDKMBSRMU-DHZHZOJOSA-N -1 3 374.379 3.302 20 30 FGEDHM O=C(C=Cc1ccc(-c2nnn[n-]2)s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000826400214 609443016 /nfs/dbraw/zinc/44/30/16/609443016.db2.gz SHOXUISKQNUFRV-DJWKRKHSSA-N -1 3 361.770 3.386 20 30 FGEDHM CC(=[NH+][N-]c1ccc(-c2nn[n-]n2)c(Cl)c1)c1ccccc1N(C)C ZINC000823958215 609470137 /nfs/dbraw/zinc/47/01/37/609470137.db2.gz FXFYWHZYLFGJAY-UHFFFAOYSA-N -1 3 355.833 3.422 20 30 FGEDHM Cc1csc2nc(C)c(C=NNc3ccc(-c4nn[n-]n4)c(Cl)c3)n12 ZINC000826329846 609471768 /nfs/dbraw/zinc/47/17/68/609471768.db2.gz VBNMXKPYWJTSIL-UHFFFAOYSA-N -1 3 372.845 3.292 20 30 FGEDHM N#Cc1ccc(CCC(=O)OCc2ccc(Cl)cc2-c2nnn[n-]2)cc1 ZINC000826384781 609617886 /nfs/dbraw/zinc/61/78/86/609617886.db2.gz JPYBKLVHRFKIGZ-UHFFFAOYSA-N -1 3 367.796 3.068 20 30 FGEDHM N#Cc1ccc(CCC(=O)OCc2ccc(Cl)cc2-c2nn[n-]n2)cc1 ZINC000826384781 609617888 /nfs/dbraw/zinc/61/78/88/609617888.db2.gz JPYBKLVHRFKIGZ-UHFFFAOYSA-N -1 3 367.796 3.068 20 30 FGEDHM