smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[nH]nc(-c2ccccc2)c1NC(=O)CN1CCCCCCC1=O ZINC000330178344 1024343817 /nfs/dbraw/zinc/34/38/17/1024343817.db2.gz LNBNTPJSAXWGDR-UHFFFAOYSA-N 0 0 340.427 3.766 40 30 EHEBRN CCOC(=O)C#C[C@]12CCC(c3ccccc3)(c3ccccc3)C[C@H]1O2 ZINC000004265061 210155265 /nfs/dbraw/zinc/15/52/65/210155265.db2.gz DEIWTPQTXUIODQ-OFNKIYASSA-N 0 0 346.426 3.861 40 30 EHEBRN COc1ccc(NC(=O)Sc2nc3c(cc2C#N)CCC3)cc1 ZINC000012420970 201845744 /nfs/dbraw/zinc/84/57/44/201845744.db2.gz ZQRUWLCFNWFDPP-UHFFFAOYSA-N 0 0 325.393 3.775 40 30 EHEBRN C[C@H]1CC(=O)C2C(=Nc3ncnn3[C@@H]2c2cccc3ccccc32)C1 ZINC000019959647 202028356 /nfs/dbraw/zinc/02/83/56/202028356.db2.gz LIANDGJHRAKPMR-CWTRNNRKSA-N 0 0 330.391 3.699 40 30 EHEBRN Cc1cc(=O)oc2c3c(ccc12)O/C(=C\c1ccc(N(C)C)cc1)C3=O ZINC000000053121 201427860 /nfs/dbraw/zinc/42/78/60/201427860.db2.gz LZPAXSFZUQTBAR-BOPFTXTBSA-N 0 0 347.370 3.784 40 30 EHEBRN CCCCSc1nc(N)c(C#N)c(COc2ccc(C)cc2)n1 ZINC000223686464 241679467 /nfs/dbraw/zinc/67/94/67/241679467.db2.gz SSFOHBFYPYNEJY-UHFFFAOYSA-N 0 0 328.441 3.710 40 30 EHEBRN CCCO[C@]1(C(=O)Nc2ccc(OC)c(C#N)c2)CCC[C@H](C)C1 ZINC000225854435 242062894 /nfs/dbraw/zinc/06/28/94/242062894.db2.gz FMOKRCAUPWPVHN-IFXJQAMLSA-N 0 0 330.428 3.881 40 30 EHEBRN Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2cccc(C#N)c2)n1 ZINC000225916163 242077089 /nfs/dbraw/zinc/07/70/89/242077089.db2.gz LLBFXOBNKGVPPK-UHFFFAOYSA-N 0 0 343.390 3.961 40 30 EHEBRN Cc1ccc(S(=O)(=O)O[C@@H]2CCCCCCCC[C@@H]2O)cc1 ZINC000001709176 201517315 /nfs/dbraw/zinc/51/73/15/201517315.db2.gz HEFXAEAXCPZBCO-DLBZAZTESA-N 0 0 326.458 3.564 40 30 EHEBRN O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000005551418 201655687 /nfs/dbraw/zinc/65/56/87/201655687.db2.gz PWLLJIYGRBNZQR-ZROIWOOFSA-N 0 0 343.339 3.626 40 30 EHEBRN O=C1N/C(=N/c2ccccc2F)S/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000005551373 201655827 /nfs/dbraw/zinc/65/58/27/201655827.db2.gz APXIBYWPHXTBAB-ZROIWOOFSA-N 0 0 343.339 3.626 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@H](O)C[C@]12C ZINC000118917254 204615521 /nfs/dbraw/zinc/61/55/21/204615521.db2.gz JSGVCWDJNUVILL-OUZKAEIWSA-N 0 0 348.458 3.786 40 30 EHEBRN C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C ZINC000118923299 204616196 /nfs/dbraw/zinc/61/61/96/204616196.db2.gz RNDKPONEBPMNRB-FUXKLBNDSA-N 0 0 346.511 3.732 40 30 EHEBRN C=CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225094847 205028448 /nfs/dbraw/zinc/02/84/48/205028448.db2.gz SNFUBLFQFZBQAJ-UHFFFAOYSA-N 0 0 335.400 3.524 40 30 EHEBRN C#CCCCCCCCCCCC[C@@H](O)C[C@H](O)COC(C)=O ZINC000003978496 205675244 /nfs/dbraw/zinc/67/52/44/205675244.db2.gz JAKAZHIACKJNNB-MOPGFXCFSA-N 0 0 326.477 3.586 40 30 endogenous,in-man EHEBRN OCCC[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000095677014 258067307 /nfs/dbraw/zinc/06/73/07/258067307.db2.gz UDRGWQXICZMATL-SCSAIBSYSA-N 0 0 344.120 3.794 40 30 EHEBRN C(=Cc1ccccc1)C=Nn1cnnc1N=NC=CCc1ccccc1 ZINC000036046989 518370651 /nfs/dbraw/zinc/37/06/51/518370651.db2.gz MCOBYYTXIFWZMI-QMDDAROGSA-N 0 0 342.406 3.937 40 30 EHEBRN C=CCn1cc(CN(Cc2ccccc2)Cc2ccncc2)c(C)n1 ZINC000013989262 519277938 /nfs/dbraw/zinc/27/79/38/519277938.db2.gz YUDRSJJIHJUSPA-UHFFFAOYSA-N 0 0 332.451 3.975 40 30 EHEBRN CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1Cl ZINC000003267610 520090717 /nfs/dbraw/zinc/09/07/17/520090717.db2.gz SNRMVAUOGPNQQK-GFCCVEGCSA-N 0 0 330.819 3.587 40 30 EHEBRN COc1cc(CN=Nc2nc(C)cc(C)n2)ccc1OCCC(C)C ZINC000005782491 521995270 /nfs/dbraw/zinc/99/52/70/521995270.db2.gz DQQJZZUJYYPCQS-UDWIEESQSA-N 0 0 342.443 3.973 40 30 EHEBRN c1ccc(OCCSc2n[nH]c(N=NC3CCCCC3)n2)cc1 ZINC000020530010 526486642 /nfs/dbraw/zinc/48/66/42/526486642.db2.gz AWLTUYNWXDURGX-UHFFFAOYSA-N 0 0 331.445 3.708 40 30 EHEBRN CC(O)=C1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000000209477 563260432 /nfs/dbraw/zinc/26/04/32/563260432.db2.gz OMGDMUOMPGYUNH-MRXNPFEDSA-N 0 0 327.767 3.829 40 30 EHEBRN CC/N=C1/S/C(=C/c2ccc(Br)cc2)C(=O)N1CC ZINC000035041864 563390301 /nfs/dbraw/zinc/39/03/01/563390301.db2.gz PMCCTCLJRGNFMM-KDKDSYKCSA-N 0 0 339.258 3.761 40 30 EHEBRN CCOc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OCC ZINC000408593489 563493458 /nfs/dbraw/zinc/49/34/58/563493458.db2.gz PXZVDPVWVCRJCE-XDHOZWIPSA-N 0 0 344.367 3.943 40 30 EHEBRN N#CC(=NNc1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1 ZINC000004262774 563498439 /nfs/dbraw/zinc/49/84/39/563498439.db2.gz RXARXSPFCSUJHD-ZVHZXABRSA-N 0 0 329.285 3.921 40 30 EHEBRN CCN(CC)c1ccc(/N=C2/c3cc([N+](=O)[O-])ccc3NC2=O)cc1 ZINC000004421781 563502442 /nfs/dbraw/zinc/50/24/42/563502442.db2.gz NWXGTBKOJXBIQV-UHFFFAOYSA-N 0 0 338.367 3.514 40 30 EHEBRN Cc1ccc(S(=O)(=O)O[C@@H]2CCC[C@H]3CC(=O)CC[C@]23C)cc1 ZINC000004963715 563516234 /nfs/dbraw/zinc/51/62/34/563516234.db2.gz ZGICQDYFNFBHKT-QGTPRVQTSA-N 0 0 336.453 3.628 40 30 EHEBRN O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccc(O)c(O)c1 ZINC000005376379 563530012 /nfs/dbraw/zinc/53/00/12/563530012.db2.gz RREXYFWFKWJJKQ-ZSOIEALJSA-N 0 0 346.795 3.643 40 30 EHEBRN CC(=C=CC1=CCCCC1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005566091 563539926 /nfs/dbraw/zinc/53/99/26/563539926.db2.gz YWUOEQGTJNOVPT-ATVHPVEESA-N 0 0 328.328 3.795 40 30 EHEBRN Cc1ccccc1NN=Cc1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 ZINC000005884830 563553291 /nfs/dbraw/zinc/55/32/91/563553291.db2.gz HOJIAMARGVIRPO-NHDPSOOVSA-N 0 0 345.358 3.585 40 30 EHEBRN COc1cc(CN=Nc2nc(C(C)(C)C)cs2)ccc1OCC#N ZINC000006306398 563564396 /nfs/dbraw/zinc/56/43/96/563564396.db2.gz FYUCQQVUPOMZAU-VXLYETTFSA-N 0 0 344.440 3.798 40 30 EHEBRN CC(CCc1ccccc1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000017021326 563828920 /nfs/dbraw/zinc/82/89/20/563828920.db2.gz WHTNICIAOKIYQM-SFQUDFHCSA-N 0 0 328.328 3.924 40 30 EHEBRN CN(C)c1ccc(/C=N\NC(=S)Nc2cccc3cccnc32)cc1 ZINC000056696966 563935202 /nfs/dbraw/zinc/93/52/02/563935202.db2.gz GCWROOADOKADGO-BKUYFWCQSA-N 0 0 349.463 3.621 40 30 EHEBRN Cc1ccc(C(=O)CC(=O)C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000104302132 563983581 /nfs/dbraw/zinc/98/35/81/563983581.db2.gz RKGGFRQFJLFABW-DJKKODMXSA-N 0 0 339.435 3.705 40 30 EHEBRN CCOC(=O)c1oc2ccc(Br)c(OCC#N)c2c1C ZINC000085395636 563986278 /nfs/dbraw/zinc/98/62/78/563986278.db2.gz XLDDOHGNWXOWCG-UHFFFAOYSA-N 0 0 338.157 3.583 40 30 EHEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C(C)(C)C(=O)/C(=N\O)C[C@@]43C)[C@@H]1CC[C@H]2O ZINC000118934617 563992518 /nfs/dbraw/zinc/99/25/18/563992518.db2.gz ZGGIESAIKVBIDO-DUGYBDCGSA-N 0 0 345.483 3.955 40 30 EHEBRN C=CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000224632059 563994473 /nfs/dbraw/zinc/99/44/73/563994473.db2.gz SGYOUFSGBGLHKB-UHFFFAOYSA-N 0 0 331.437 3.693 40 30 EHEBRN C=CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224742901 563994817 /nfs/dbraw/zinc/99/48/17/563994817.db2.gz SAQGQXPPLWGPFJ-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN C=CCOc1cccc(NC(=S)NCCOc2ccc(C)cc2)c1 ZINC000225563182 563995953 /nfs/dbraw/zinc/99/59/53/563995953.db2.gz LDPRBACCLBJOQA-UHFFFAOYSA-N 0 0 342.464 3.925 40 30 EHEBRN Cc1cc2cc(C#N)c(SCC(=O)NC(C)(C)C)nc2cc1C ZINC000001354491 564003426 /nfs/dbraw/zinc/00/34/26/564003426.db2.gz ONUYXSFFOIXDHS-UHFFFAOYSA-N 0 0 327.453 3.730 40 30 EHEBRN C=CCOc1c(Cl)cc([C@H]2NC(=O)c3ccccc3O2)cc1OC ZINC000005001215 564005667 /nfs/dbraw/zinc/00/56/67/564005667.db2.gz YTUJZWGAZGAYRH-SFHVURJKSA-N 0 0 345.782 3.734 40 30 EHEBRN C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(C)C2=O)cc1OC ZINC000408815723 564007381 /nfs/dbraw/zinc/00/73/81/564007381.db2.gz RVOWHFRKUKBGBK-WQLSENKSSA-N 0 0 339.800 3.580 40 30 EHEBRN C=CCOc1ccc(/C=C2\S/C(=N/C)N(C)C2=O)cc1CC=C ZINC000408857192 564007650 /nfs/dbraw/zinc/00/76/50/564007650.db2.gz LJHGMOWBLBRXKP-MPOVVXLQSA-N 0 0 328.437 3.512 40 30 EHEBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(CC#N)c2ccccc12 ZINC000408901871 564007901 /nfs/dbraw/zinc/00/79/01/564007901.db2.gz IEHLRAXZQXRSMM-CPNJWEJPSA-N 0 0 340.386 3.971 40 30 EHEBRN C=CCNC(=O)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 ZINC000408981127 564008571 /nfs/dbraw/zinc/00/85/71/564008571.db2.gz ZUEMNVREKAGVNA-UHFFFAOYSA-N 0 0 343.390 3.536 40 30 EHEBRN CCOc1cc(/C=N/O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409040626 564009132 /nfs/dbraw/zinc/00/91/32/564009132.db2.gz HFBLUTIUWIXRPN-VXLYETTFSA-N 0 0 348.786 3.564 40 30 EHEBRN C=CCN1C(=O)S/C(=C/c2ccc(N3CCCCCC3)o2)C1=O ZINC000409071375 564009494 /nfs/dbraw/zinc/00/94/94/564009494.db2.gz NXJSUHIJGOEUAG-WYMLVPIESA-N 0 0 332.425 3.882 40 30 EHEBRN CC[C@H](C)Oc1ccc(CN=Nc2ncccc2[N+](=O)[O-])cc1OC ZINC000409101820 564009947 /nfs/dbraw/zinc/00/99/47/564009947.db2.gz WSBPQDTUCUXTEQ-MKFNJMOCSA-N 0 0 344.371 3.622 40 30 EHEBRN O=C1CSC(=S)N1/N=C/c1ccc(Sc2ccccc2)o1 ZINC000409326674 564011697 /nfs/dbraw/zinc/01/16/97/564011697.db2.gz DEQKUJRTNLSCOZ-OVCLIPMQSA-N 0 0 334.447 3.625 40 30 EHEBRN CCNC(=S)N=NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000001969115 564013229 /nfs/dbraw/zinc/01/32/29/564013229.db2.gz QKODIRIEDULWDK-RGVLZGJSSA-N 0 0 331.416 3.634 40 30 EHEBRN Cc1nc2n(n1)[C@H](c1ccccc1Cl)C1C(=O)C[C@H](C)CC1=N2 ZINC000014164966 564021565 /nfs/dbraw/zinc/02/15/65/564021565.db2.gz YJEFMMIBAUDIRY-JDNHERCYSA-N 0 0 328.803 3.508 40 30 EHEBRN Cc1sc(NC(=S)NC(=O)c2ccccc2F)c(C#N)c1C ZINC000014257834 564021732 /nfs/dbraw/zinc/02/17/32/564021732.db2.gz GBCAWNIDQLRLBE-UHFFFAOYSA-N 0 0 333.413 3.503 40 30 EHEBRN C/C(=N\N=C(\C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000017023240 564024790 /nfs/dbraw/zinc/02/47/90/564024790.db2.gz DMMYLVOVZLJONB-MJZABRMRSA-N 0 0 326.312 3.736 40 30 EHEBRN CC(=O)[C@]12O[C@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000004683864 564028376 /nfs/dbraw/zinc/02/83/76/564028376.db2.gz UQVIXFCYKBWZPJ-YRQPXTNQSA-N 0 0 330.468 3.647 40 30 EHEBRN Cc1cc2c(cc1/C=N/NC(N)=S)[C@H](C)CC(C)(C)N2C(C)C ZINC000223588538 564040440 /nfs/dbraw/zinc/04/04/40/564040440.db2.gz QHPSXEIJEYHSDS-RNDVCUHJSA-N 0 0 332.517 3.663 40 30 EHEBRN C=CCOc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000045054088 564061835 /nfs/dbraw/zinc/06/18/35/564061835.db2.gz OOUDUPQKSOHBDT-AWEZNQCLSA-N 0 0 339.391 3.514 40 30 EHEBRN C=CCNC(=S)Nc1ccc(OC(=O)NC2CCCCC2)cc1 ZINC000005498635 564070583 /nfs/dbraw/zinc/07/05/83/564070583.db2.gz VHAPWYCDKDCHQN-UHFFFAOYSA-N 0 0 333.457 3.580 40 30 EHEBRN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OCCC)cc1 ZINC000007649284 564070870 /nfs/dbraw/zinc/07/08/70/564070870.db2.gz GXDMAIKMMABWQK-UHFFFAOYSA-N 0 0 338.407 3.644 40 30 EHEBRN CC[C@@H](C)Sc1nc(N)c(C#N)c(COc2ccccc2C)n1 ZINC000223682496 564081767 /nfs/dbraw/zinc/08/17/67/564081767.db2.gz RNUWJAGDJPLTIO-GFCCVEGCSA-N 0 0 328.441 3.709 40 30 EHEBRN Cc1cc(C)c(C#N)c(N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000026440512 564082194 /nfs/dbraw/zinc/08/21/94/564082194.db2.gz WFRQKROCDXDWPD-UHFFFAOYSA-N 0 0 326.831 3.550 40 30 EHEBRN C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CF ZINC000004691931 564111731 /nfs/dbraw/zinc/11/17/31/564111731.db2.gz UXQRVGWQURFJGJ-HJTSIMOOSA-N 0 0 348.458 3.644 40 30 in-vitro EHEBRN Cc1ccc(S(=O)(=O)O[C@H]2CCCC[C@H]2c2ccccn2)cc1 ZINC000004137115 564125141 /nfs/dbraw/zinc/12/51/41/564125141.db2.gz VGNOUPQTSJJLHK-WMZOPIPTSA-N 0 0 331.437 3.822 40 30 EHEBRN Cc1ccc(NC(=O)COc2ccc(/C=N\O)cc2Cl)c(C)c1 ZINC000008369200 564127309 /nfs/dbraw/zinc/12/73/09/564127309.db2.gz QMHDMHVEMVGNGK-OCKHKDLRSA-N 0 0 332.787 3.782 40 30 EHEBRN Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccccc1F)CCCC3 ZINC000147319114 564130053 /nfs/dbraw/zinc/13/00/53/564130053.db2.gz UYUSGBSDJSIGTH-KEBDBYFISA-N 0 0 341.411 3.667 40 30 EHEBRN Cc1ccc2cc(C#N)c(SCC(=O)Nc3nccs3)nc2c1 ZINC000000422295 564133207 /nfs/dbraw/zinc/13/32/07/564133207.db2.gz BWXPWAWTPDWVHT-UHFFFAOYSA-N 0 0 340.433 3.602 40 30 EHEBRN N#Cc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 ZINC000409166279 564133707 /nfs/dbraw/zinc/13/37/07/564133707.db2.gz COPUXAAQYWCXOH-RQZCQDPDSA-N 0 0 345.383 3.666 40 30 EHEBRN C=C1C[C@](COc2cc(=O)oc3ccccc23)(c2ccccc2)OC1=O ZINC000003981529 210097238 /nfs/dbraw/zinc/09/72/38/210097238.db2.gz ATSWSVKABBOUBT-NRFANRHFSA-N 0 0 348.354 3.570 40 30 EHEBRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000021984321 202076244 /nfs/dbraw/zinc/07/62/44/202076244.db2.gz VVSMJVQHDZUPIL-MTPAJEGXSA-N 0 0 344.451 3.629 40 30 EHEBRN O=C(C1=C(O)C(=O)N[C@@H]1c1cccc2ccccc21)c1ccc(F)cc1 ZINC000027985694 202162265 /nfs/dbraw/zinc/16/22/65/202162265.db2.gz NDIQRZRRNDNIKT-GOSISDBHSA-N 0 0 347.345 3.845 40 30 EHEBRN C/C(=N/NC(=S)Nc1c(C)cccc1C)c1ccc2c(c1)OCO2 ZINC000034876828 202279362 /nfs/dbraw/zinc/27/93/62/202279362.db2.gz PELBWRSRKHHXHB-MOSHPQCFSA-N 0 0 341.436 3.743 40 30 EHEBRN O=C1N/C(=N/N=C/c2ccc(F)cc2)S/C1=C\c1ccc(F)cc1 ZINC000026507885 212523017 /nfs/dbraw/zinc/52/30/17/212523017.db2.gz DJUKBTCGMSHPCX-ZMSCOZPXSA-N 0 0 343.358 3.559 40 30 EHEBRN C/C(=N\NC(=S)Nc1c(C)cccc1C)c1ccc2c(c1)OCO2 ZINC000007008007 201056691 /nfs/dbraw/zinc/05/66/91/201056691.db2.gz PELBWRSRKHHXHB-DEDYPNTBSA-N 0 0 341.436 3.743 40 30 EHEBRN C#CCOC(=O)c1ccc(OC)c(OCc2ccccc2Cl)c1 ZINC000216805103 241213073 /nfs/dbraw/zinc/21/30/73/241213073.db2.gz KTLAHEKPNFVWLQ-UHFFFAOYSA-N 0 0 330.767 3.718 40 30 EHEBRN C[C@@](O)(C#CCN1CCCC[C@@H]1c1cccnc1)[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000217497335 241253117 /nfs/dbraw/zinc/25/31/17/241253117.db2.gz VVGJPICXZGVUEA-OCFWJZSCSA-N 0 0 336.479 3.575 40 30 EHEBRN N#Cc1c(N)n(Cc2ccccc2Cl)nc1Cc1ccccc1F ZINC000225839470 242058215 /nfs/dbraw/zinc/05/82/15/242058215.db2.gz GIQDGGTVOCUMMG-UHFFFAOYSA-N 0 0 340.789 3.769 40 30 EHEBRN CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)=O)c(C#N)c1 ZINC000225841447 242059354 /nfs/dbraw/zinc/05/93/54/242059354.db2.gz CZPUQQAZALXCNI-LJQANCHMSA-N 0 0 346.427 3.653 40 30 EHEBRN CCCO[C@@]1(C(=O)Nc2ccc(OC)cc2C#N)CCC[C@H](C)C1 ZINC000225854938 242063488 /nfs/dbraw/zinc/06/34/88/242063488.db2.gz ASMUOXSGAQYDKU-LIRRHRJNSA-N 0 0 330.428 3.881 40 30 EHEBRN CC(C)C(/C=C/c1ccccc1)=N/NS(=O)(=O)c1ccccc1 ZINC000005715235 201660487 /nfs/dbraw/zinc/66/04/87/201660487.db2.gz LVUFYTGJAGZJRO-CDSOMVEVSA-N 0 0 328.437 3.690 40 30 EHEBRN COc1cc(C=O)cc(Br)c1OCc1cccc(C#N)c1 ZINC000020156233 212107166 /nfs/dbraw/zinc/10/71/66/212107166.db2.gz VTUAEIRVDHITKI-UHFFFAOYSA-N 0 0 346.180 3.721 40 30 EHEBRN CN1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N/c1nccs1 ZINC000101127969 204002775 /nfs/dbraw/zinc/00/27/75/204002775.db2.gz CHPNMQVUQZPQEM-CZNZVWFISA-N 0 0 340.433 3.858 40 30 EHEBRN C=CCN(c1ccc(CC)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225026440 205006459 /nfs/dbraw/zinc/00/64/59/205006459.db2.gz MPVXDWVGDZYVFD-UHFFFAOYSA-N 0 0 346.408 3.539 40 30 EHEBRN C=CCOc1ccc(NC(=O)C2(C)COC3(CCCC3)OC2)cc1 ZINC000225916095 205103761 /nfs/dbraw/zinc/10/37/61/205103761.db2.gz BTWVKIBTOUWKME-UHFFFAOYSA-N 0 0 331.412 3.513 40 30 EHEBRN N#CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000015228220 211809026 /nfs/dbraw/zinc/80/90/26/211809026.db2.gz PRBWWDLXHJSCSP-VBKFSLOCSA-N 0 0 336.372 3.830 40 30 EHEBRN Cc1nc2sc3c(c2c(=O)n1/N=C/c1cccs1)CCCC3 ZINC000000354839 205438574 /nfs/dbraw/zinc/43/85/74/205438574.db2.gz AKPKUKRIINWAFE-RQZCQDPDSA-N 0 0 329.450 3.589 40 30 EHEBRN CCOc1ccc2cc(C#N)c(SCC(=O)N[C@@H](C)CC)nc2c1 ZINC000001354916 205586894 /nfs/dbraw/zinc/58/68/94/205586894.db2.gz JJOLDBDEDJMLPK-LBPRGKRZSA-N 0 0 343.452 3.512 40 30 EHEBRN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(O)c(OCC)c2)C1=O ZINC000001112280 206269765 /nfs/dbraw/zinc/26/97/65/206269765.db2.gz DYSXJMDTSALTDW-XYOKQWHBSA-N 0 0 339.800 3.667 40 30 EHEBRN CCOc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(OC)cc1 ZINC000007525992 210811053 /nfs/dbraw/zinc/81/10/53/210811053.db2.gz TVIIPNMZLHWVMH-UHFFFAOYSA-N 0 0 331.755 3.838 40 30 EHEBRN C=CCn1nnnc1NCc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000006856438 257865578 /nfs/dbraw/zinc/86/55/78/257865578.db2.gz XIXFRHMGMDNRAZ-UHFFFAOYSA-N 0 0 333.754 3.524 40 30 EHEBRN COc1ccc(CNC=CC(=O)c2ccc(Br)cc2)cc1 ZINC000409055161 257881512 /nfs/dbraw/zinc/88/15/12/257881512.db2.gz DAZWKROAROHJOU-ZHACJKMWSA-N 0 0 346.224 3.944 40 30 EHEBRN C#CCN1C(=O)S/C(=C/c2cccn2-c2ccc(C)cc2C)C1=O ZINC000409045090 257882144 /nfs/dbraw/zinc/88/21/44/257882144.db2.gz HPJZSZLHRZLWNS-SFQUDFHCSA-N 0 0 336.416 3.764 40 30 EHEBRN C/N=C1\S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)N1C ZINC000408782519 257888547 /nfs/dbraw/zinc/88/85/47/257888547.db2.gz JOOKCPKCMPYEKW-WGZDZCCCSA-N 0 0 339.464 3.934 40 30 EHEBRN C=CCc1cc(C(=O)N[C@H](C)COc2ccc(C)cc2)ccc1OC ZINC000218657695 534411559 /nfs/dbraw/zinc/41/15/59/534411559.db2.gz LFRHAGJHJZIYLZ-MRXNPFEDSA-N 0 0 339.435 3.929 40 30 EHEBRN CCOC(=O)[C@@H](C#N)[C@@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000000209709 520998483 /nfs/dbraw/zinc/99/84/83/520998483.db2.gz WJDUCWWSKQGQHE-SQNIBIBYSA-N 0 0 329.440 3.753 40 30 EHEBRN Oc1ccc(CN=Nc2cc(Cl)nc(-c3ccccc3)n2)c(O)c1 ZINC000004713155 526340084 /nfs/dbraw/zinc/34/00/84/526340084.db2.gz BGAGOJXAWGDAGD-VXLYETTFSA-N 0 0 340.770 3.654 40 30 EHEBRN CCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)c(C#N)c1 ZINC000225811042 535270016 /nfs/dbraw/zinc/27/00/16/535270016.db2.gz INUUPDJMELAGLX-UHFFFAOYSA-N 0 0 330.428 3.881 40 30 EHEBRN CC(C)NC(=O)OCCN=C1c2ccccc2CCc2ccccc21 ZINC000001643732 563398840 /nfs/dbraw/zinc/39/88/40/563398840.db2.gz RCIFFPDFCCUSJX-UHFFFAOYSA-N 0 0 336.435 3.757 40 30 EHEBRN CC[C@@H](C)Oc1ccccc1/C=N\n1c(C)nc2ccccc2c1=O ZINC000408603457 563496871 /nfs/dbraw/zinc/49/68/71/563496871.db2.gz QWSWYSFZBJNFJA-SFDYMUJDSA-N 0 0 335.407 3.764 40 30 EHEBRN C=CCOc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000408630641 563505372 /nfs/dbraw/zinc/50/53/72/563505372.db2.gz WEAVQXXIGUYTMQ-UHFFFAOYSA-N 0 0 335.450 3.774 40 30 EHEBRN CC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004803185 563511503 /nfs/dbraw/zinc/51/15/03/563511503.db2.gz UAMNQIUKJVUQMR-JRBOJVLQSA-N 0 0 330.468 3.838 40 30 EHEBRN C=CCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1OC ZINC000408703246 563590632 /nfs/dbraw/zinc/59/06/32/563590632.db2.gz PGJZKMONLPNWSH-UHFFFAOYSA-N 0 0 342.351 3.593 40 30 EHEBRN O=C1N/C(=N\N=C/c2ccccc2Cl)S[C@H]1c1ccccc1 ZINC000009189506 563642143 /nfs/dbraw/zinc/64/21/43/563642143.db2.gz ARLNJOFGYWSEPM-KPYNCUPYSA-N 0 0 329.812 3.634 40 30 EHEBRN CCCCOC1(NC(=O)c2ccc(C)cc2)C(C)=CC(=O)C=C1C ZINC000016779557 563823336 /nfs/dbraw/zinc/82/33/36/563823336.db2.gz TYHZXEQQXBVOTB-UHFFFAOYSA-N 0 0 327.424 3.713 40 30 EHEBRN CCCCC[C@H](C/C=N\N(C)C)C(O)(C(F)(F)F)C(F)(F)F ZINC000017249178 563841584 /nfs/dbraw/zinc/84/15/84/563841584.db2.gz DUQTZXKXIYNAQS-ZHLXBYETSA-N 0 0 336.320 3.976 40 30 EHEBRN Cc1ncc(NC(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)s1 ZINC000328782540 563964890 /nfs/dbraw/zinc/96/48/90/563964890.db2.gz JSHPGNVRHRPMTK-ZDUSSCGKSA-N 0 0 338.477 3.712 40 30 EHEBRN COc1ccc(OC)c(/C=C/C(=O)c2cc(OC)ccc2OC)c1 ZINC000071977019 563965931 /nfs/dbraw/zinc/96/59/31/563965931.db2.gz YAWMOEGTGGJXCG-VMPITWQZSA-N 0 0 328.364 3.617 40 30 EHEBRN CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@H](O)C[C@]12C ZINC000118929295 563992517 /nfs/dbraw/zinc/99/25/17/563992517.db2.gz WHFHAAOGZDECTE-QHOCJJNXSA-N 0 0 346.442 3.707 40 30 EHEBRN C[C@@H]1C[C@H]2[C@@H]3CC/C(=C/CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000118927461 563992525 /nfs/dbraw/zinc/99/25/25/563992525.db2.gz URZZKSAZQICNQI-KUFNXXNWSA-N 0 0 344.495 3.654 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)[C@@H](C)[C@]12C ZINC000118925714 563992528 /nfs/dbraw/zinc/99/25/28/563992528.db2.gz JLOPYNSMWUXMEO-KPJSZBIXSA-N 0 0 344.495 3.940 40 30 EHEBRN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000224644831 563994514 /nfs/dbraw/zinc/99/45/14/563994514.db2.gz VQZAVSTZEKMTFY-UHFFFAOYSA-N 0 0 335.400 3.524 40 30 EHEBRN C=CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224742427 563994846 /nfs/dbraw/zinc/99/48/46/563994846.db2.gz FKTVHJJAIRGWMD-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cccs1 ZINC000225132450 563995677 /nfs/dbraw/zinc/99/56/77/563995677.db2.gz HKHLPSQQSTWNMF-UHFFFAOYSA-N 0 0 343.857 3.791 40 30 EHEBRN N#CCOc1ccccc1/C=C1\SC(=O)N(c2ccccc2)C1=O ZINC000408818667 564007420 /nfs/dbraw/zinc/00/74/20/564007420.db2.gz OJABCGODEPXWSV-VBKFSLOCSA-N 0 0 336.372 3.830 40 30 EHEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(C#N)cc3)S2)cc1 ZINC000408950105 564008220 /nfs/dbraw/zinc/00/82/20/564008220.db2.gz DKOSYIVMARUYRY-GZTJUZNOSA-N 0 0 349.415 3.849 40 30 EHEBRN C#CCOc1ccc(Cl)cc1/C=C1\C(=O)ON=C1c1ccccc1 ZINC000409086045 564009578 /nfs/dbraw/zinc/00/95/78/564009578.db2.gz PXHJLLKRTPMUHE-VBKFSLOCSA-N 0 0 337.762 3.697 40 30 EHEBRN COc1cc(N2CCCC2)c(OC)cc1C=[NH+][N-]c1ccccc1 ZINC000409087626 564009690 /nfs/dbraw/zinc/00/96/90/564009690.db2.gz JFKGRUKCICYLEV-XSFVSMFZSA-N 0 0 325.412 3.750 40 30 EHEBRN COc1ccc(/C=C2\COC/C(=C\c3ccc(OC)cc3)C2=O)cc1 ZINC000016955564 564010558 /nfs/dbraw/zinc/01/05/58/564010558.db2.gz ADOXGRPZVZXSKQ-JYFOCSDGSA-N 0 0 336.387 3.770 40 30 EHEBRN CC(C)OC(=O)COc1ccc(/C=N\c2ccc(N(C)C)cc2)cc1 ZINC000409187404 564010780 /nfs/dbraw/zinc/01/07/80/564010780.db2.gz QAHPIOJXELJQRR-BKUYFWCQSA-N 0 0 340.423 3.834 40 30 EHEBRN CC(C)OC(=O)COc1ccc(/C=N\c2cccc([N+](=O)[O-])c2)cc1 ZINC000409188404 564010824 /nfs/dbraw/zinc/01/08/24/564010824.db2.gz YYONWZOERGAJDB-ODLFYWEKSA-N 0 0 342.351 3.676 40 30 EHEBRN CCCCCN1C(=O)S/C(=C\c2ccccc2OCC#N)C1=O ZINC000409213192 564011111 /nfs/dbraw/zinc/01/11/11/564011111.db2.gz OZWPGERCBUCTCE-QINSGFPZSA-N 0 0 330.409 3.815 40 30 EHEBRN CCNC(=S)N=NCc1ccccc1OCc1ccc(C)cc1 ZINC000001968957 564013230 /nfs/dbraw/zinc/01/32/30/564013230.db2.gz UYCVCGZZMLFXPW-UDWIEESQSA-N 0 0 327.453 3.803 40 30 EHEBRN O=C1c2ccccc2C(=O)C1=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000005590016 564014106 /nfs/dbraw/zinc/01/41/06/564014106.db2.gz UQHFHUKYLCKFQZ-UHFFFAOYSA-N 0 0 348.358 3.658 40 30 EHEBRN COc1ccc(CN=NC(N)=S)cc1OCc1ccccc1Cl ZINC000082375390 564025050 /nfs/dbraw/zinc/02/50/50/564025050.db2.gz XOWLXURNTHMKRG-DJKKODMXSA-N 0 0 349.843 3.506 40 30 EHEBRN Cc1ccccc1/C=N/O[C@H](C)C(=O)Nc1ccc(F)c(F)c1F ZINC000005406664 564032076 /nfs/dbraw/zinc/03/20/76/564032076.db2.gz FJDAJMZGRNVDMV-CPOBKIPGSA-N 0 0 336.313 3.790 40 30 EHEBRN CCCCCCCCCCCCCCCC(=O)[C@H](O)[C@@H](O)CO ZINC000113364022 564065454 /nfs/dbraw/zinc/06/54/54/564065454.db2.gz JDDQUGLCHBTOIL-OALUTQOASA-N 0 0 330.509 3.751 40 30 EHEBRN C=CCO[C@H]1CC2(CCN(c3ccc(C)nn3)CC2)c2ccccc21 ZINC000096079155 564066485 /nfs/dbraw/zinc/06/64/85/564066485.db2.gz QCETYJYSSCBMIW-IBGZPJMESA-N 0 0 335.451 3.971 40 30 EHEBRN C=C1[C@@H]2CC[C@]3(CC[C@@H]4[C@@]5(C)CCC[C@@]4(CN(C(C)=O)C5)[C@H]3C2)[C@H]1O ZINC000005602137 564070598 /nfs/dbraw/zinc/07/05/98/564070598.db2.gz VSDSULQRAFPUQK-ZBWDDEHUSA-N 0 0 343.511 3.769 40 30 EHEBRN COc1cc(OC)c(C(=O)/C=C/c2ccccc2)c(OC(C)=O)c1 ZINC000040566724 564117930 /nfs/dbraw/zinc/11/79/30/564117930.db2.gz CPZXMKMGZVHCTN-MDZDMXLPSA-N 0 0 326.348 3.525 40 30 EHEBRN CCOc1cc(C=NN2C(=S)N=NC2C2CCCCC2)ccc1O ZINC000253616951 564124703 /nfs/dbraw/zinc/12/47/03/564124703.db2.gz DAIHDCGFPBGYBK-UHFFFAOYSA-N 0 0 346.456 3.601 40 30 EHEBRN CCOC(=O)[C@@H](C#N)[C@H](Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000002294065 564125205 /nfs/dbraw/zinc/12/52/05/564125205.db2.gz WJDUCWWSKQGQHE-KURKYZTESA-N 0 0 329.440 3.753 40 30 EHEBRN CCNC(=S)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C ZINC000107753014 564129948 /nfs/dbraw/zinc/12/99/48/564129948.db2.gz HYFNSGJVPRWJHB-RGVLZGJSSA-N 0 0 328.485 3.529 40 30 EHEBRN CCc1ccc([C@@H]2[C@H](C#N)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000242437349 564135338 /nfs/dbraw/zinc/13/53/38/564135338.db2.gz BZWCPGPMNBMHAT-RCCFBDPRSA-N 0 0 345.851 3.982 40 30 EHEBRN COc1cc(/C=N\N=C(\C)c2ccc(F)cc2)cc(OC)c1OC ZINC000017023446 201983709 /nfs/dbraw/zinc/98/37/09/201983709.db2.gz MHSJXUSWGFJHBC-ACXSEBCSSA-N 0 0 330.359 3.695 40 30 EHEBRN C[C@@H]1CC(=O)C2C(=Nc3ncnn3[C@@H]2c2cccc3ccccc32)C1 ZINC000019959642 202028032 /nfs/dbraw/zinc/02/80/32/202028032.db2.gz LIANDGJHRAKPMR-HXPMCKFVSA-N 0 0 330.391 3.699 40 30 EHEBRN CCOC(=O)c1c(C)[nH]c(C(C)=NNc2ccc([N+](=O)[O-])cc2)c1C ZINC000020927008 202058160 /nfs/dbraw/zinc/05/81/60/202058160.db2.gz DLXODSZBVNZVMY-XDHOZWIPSA-N 0 0 344.371 3.553 40 30 EHEBRN COc1ccc(C(C)(C)C)cc1CN=Nc1ccc([N+](=O)[O-])cn1 ZINC000031342738 202204951 /nfs/dbraw/zinc/20/49/51/202204951.db2.gz NVKIINPPQBADQK-GRSHGNNSSA-N 0 0 328.372 3.742 40 30 EHEBRN Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(CC#N)cc3)cc2)n1 ZINC000225286796 241819722 /nfs/dbraw/zinc/81/97/22/241819722.db2.gz KUYVNCGJRVXVPH-UHFFFAOYSA-N 0 0 344.418 3.867 40 30 EHEBRN N#Cc1c(N)n(Cc2ccccc2Cl)nc1OCc1ccccc1 ZINC000225839577 242059026 /nfs/dbraw/zinc/05/90/26/242059026.db2.gz HFJZLEULNFRIKP-UHFFFAOYSA-N 0 0 338.798 3.618 40 30 EHEBRN Cc1cccc(Cn2nc(Cc3ccc(Cl)cc3)c(C#N)c2N)c1 ZINC000225845010 242060422 /nfs/dbraw/zinc/06/04/22/242060422.db2.gz FRYHWYOMQFATJC-UHFFFAOYSA-N 0 0 336.826 3.938 40 30 EHEBRN Cc1ccc(OCCn2c(C#N)cc(N)c2Cc2ccccc2)cc1 ZINC000225861664 242065418 /nfs/dbraw/zinc/06/54/18/242065418.db2.gz CKLTVAFQDPPTCZ-UHFFFAOYSA-N 0 0 331.419 3.920 40 30 EHEBRN Cc1nc2cc(C(=O)Nc3ccc(C4(C#N)CC4)cc3)ccc2n1C ZINC000225893120 242072014 /nfs/dbraw/zinc/07/20/14/242072014.db2.gz PESCFVVQIVLVSQ-UHFFFAOYSA-N 0 0 330.391 3.689 40 30 EHEBRN Cc1cc(C)nc(Nc2ccc(C(=O)Nc3cccc(C#N)c3)cc2)n1 ZINC000225912740 242074423 /nfs/dbraw/zinc/07/44/23/242074423.db2.gz JGVWEQWHMLZHHL-UHFFFAOYSA-N 0 0 343.390 3.961 40 30 EHEBRN Cn1c2ccccc2nc1C(C#N)=NNc1cccc(C(F)(F)F)c1 ZINC000005337974 201647467 /nfs/dbraw/zinc/64/74/67/201647467.db2.gz OFNMQEIZDFIBRM-ZVHZXABRSA-N 0 0 343.312 3.932 40 30 EHEBRN Cc1cc(Br)cc2c1NC(=O)C2=NNc1ccccc1 ZINC000005277040 201645745 /nfs/dbraw/zinc/64/57/45/201645745.db2.gz SDEKMJJQVVLXBJ-UHFFFAOYSA-N 0 0 330.185 3.526 40 30 EHEBRN C=CCN1/C(=N/c2ccccn2)SC[C@@]1(O)c1ccc(CC)cc1 ZINC000005928958 201668023 /nfs/dbraw/zinc/66/80/23/201668023.db2.gz HCFOSRIYXKBMMZ-SRIJWZPRSA-N 0 0 339.464 3.712 40 30 EHEBRN CC(C)c1c(C#N)c(N)nc(SCC(=O)c2ccccc2)c1C#N ZINC000019832219 212072728 /nfs/dbraw/zinc/07/27/28/212072728.db2.gz SNYHSFLRZBUJTB-UHFFFAOYSA-N 0 0 336.420 3.506 40 30 EHEBRN Cc1ccc(C2=NOC(=O)/C2=C\c2c[nH]c3ccccc23)cc1[N+](=O)[O-] ZINC000101662068 204017461 /nfs/dbraw/zinc/01/74/61/204017461.db2.gz AWSVQEQVYFVDBW-NVNXTCNLSA-N 0 0 347.330 3.729 40 30 EHEBRN CCCCCCCCCCCCCCN1COCC1(CO)CO ZINC000104365015 204106580 /nfs/dbraw/zinc/10/65/80/204106580.db2.gz QEBUHZKDGLLSFT-UHFFFAOYSA-N 0 0 329.525 3.701 40 30 EHEBRN C=CCOc1ccc(NC(=S)NCc2ccc(OC)cc2)cc1 ZINC000225314807 205073003 /nfs/dbraw/zinc/07/30/03/205073003.db2.gz ABFJYBXFUMHQNM-UHFFFAOYSA-N 0 0 328.437 3.747 40 30 EHEBRN C=CCOc1ccc(NC(=S)NCCc2ccc(OC)cc2)cc1 ZINC000225315861 205075568 /nfs/dbraw/zinc/07/55/68/205075568.db2.gz ZLDLPLVJYSIIBZ-UHFFFAOYSA-N 0 0 342.464 3.789 40 30 EHEBRN C=CCOc1ccccc1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000012204261 211321143 /nfs/dbraw/zinc/32/11/43/211321143.db2.gz TXNVFGYIGHOTEU-QGZVFWFLSA-N 0 0 329.783 3.847 40 30 EHEBRN O=C1c2ccccc2C2=C1[C@H](c1ccccc1)C1=C(CCCC1=O)N2 ZINC000104709696 257868349 /nfs/dbraw/zinc/86/83/49/257868349.db2.gz DQVDPHQDWHIDHC-GOSISDBHSA-N 0 0 327.383 3.988 40 30 EHEBRN O=C1CSC(=S)N1/N=C\c1ccc(-c2ccc(Cl)cc2)o1 ZINC000409339134 257872900 /nfs/dbraw/zinc/87/29/00/257872900.db2.gz FEHMBALYTZNMLJ-APSNUPSMSA-N 0 0 336.825 3.794 40 30 EHEBRN O=C(N=C1NC(=O)/C(=C/c2ccccc2)S1)c1ccc(Cl)cc1 ZINC000409144204 257877354 /nfs/dbraw/zinc/87/73/54/257877354.db2.gz NNMHBSJEUWSPQK-UVTDQMKNSA-N 0 0 342.807 3.740 40 30 EHEBRN Cc1ccc(-n2cccc2CN=Nc2ncccc2[N+](=O)[O-])c(C)c1 ZINC000409105902 257879067 /nfs/dbraw/zinc/87/90/67/257879067.db2.gz PDQPEXYCUWETLW-UDWIEESQSA-N 0 0 335.367 3.843 40 30 EHEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N\c1ccccc1O ZINC000409108910 257879318 /nfs/dbraw/zinc/87/93/18/257879318.db2.gz ZIQKHFCXOJUOQC-MOSHPQCFSA-N 0 0 326.396 3.760 40 30 EHEBRN CCn1cccc1CN=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409102023 257879654 /nfs/dbraw/zinc/87/96/54/257879654.db2.gz XQIJHPJATPBTDT-GIJQJNRQSA-N 0 0 326.278 3.881 40 30 EHEBRN CCCCCCCC(=O)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000408751417 257889604 /nfs/dbraw/zinc/88/96/04/257889604.db2.gz OMZLULSBNBOUCI-DOMZBBRYSA-N 0 0 334.382 3.986 40 30 EHEBRN COc1ccc(/C(C)=N/NCc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000408711902 257891762 /nfs/dbraw/zinc/89/17/62/257891762.db2.gz PXMYYTAGQFDGTO-YBFXNURJSA-N 0 0 333.775 3.771 40 30 EHEBRN CCOc1cc(CN=NC(N)=S)ccc1OCc1ccc(C)cc1 ZINC000005958788 257927142 /nfs/dbraw/zinc/92/71/42/257927142.db2.gz VXVCIVSRGLLVKR-RGVLZGJSSA-N 0 0 343.452 3.551 40 30 EHEBRN COc1ccc(CN=Nc2nc(-c3ccc(O)cc3)c(C)s2)cc1 ZINC000041104796 523442391 /nfs/dbraw/zinc/44/23/91/523442391.db2.gz KWTRXPCAOZINRH-YBFXNURJSA-N 0 0 339.420 3.701 40 30 EHEBRN CCOC(=O)[C@@H](C#N)[C@@H](c1ccccc1OC)[C@H]1CCOC(C)(C)C1 ZINC000000209754 563260473 /nfs/dbraw/zinc/26/04/73/563260473.db2.gz SRYXQBHPVZMMOV-QILLFSRXSA-N 0 0 345.439 3.687 40 30 EHEBRN COC(=O)c1cccc(/N=C/c2cc(OC)c(OC)cc2C)c1C ZINC000408549162 563451173 /nfs/dbraw/zinc/45/11/73/563451173.db2.gz QDGOOQSCGNFPBS-RGVLZGJSSA-N 0 0 327.380 3.858 40 30 EHEBRN C[C@H]1C[C@H]2[C@@H]3CC[C@](C)(O)[C@@]3(C)CC(=O)[C@]2(F)[C@@]2(C)CCC(=O)C=C12 ZINC000004744001 563510046 /nfs/dbraw/zinc/51/00/46/563510046.db2.gz ROEQORMRPIEYSE-FXZCQDAKSA-N 0 0 348.458 3.786 40 30 in-vitro EHEBRN O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C\c1ccc(O)cc1 ZINC000005376339 563529998 /nfs/dbraw/zinc/52/99/98/563529998.db2.gz KULAYVLSFHVERO-ZROIWOOFSA-N 0 0 330.796 3.937 40 30 EHEBRN O=[N+]([O-])c1ccc(NN=Cc2cc(Br)ccc2O)cc1 ZINC000005513573 563536166 /nfs/dbraw/zinc/53/61/66/563536166.db2.gz GKLPOJYPBQUHCC-OVCLIPMQSA-N 0 0 336.145 3.509 40 30 EHEBRN CCCCCCCCNC(=O)C(=O)NCc1ccc(C(C)C)cc1 ZINC000408706796 563592683 /nfs/dbraw/zinc/59/26/83/563592683.db2.gz DJXXQDCVPCFDNH-UHFFFAOYSA-N 0 0 332.488 3.903 40 30 EHEBRN C=CCOc1ccc(NC(=O)C(=O)NCCCCCCCC)cc1 ZINC000408708685 563595374 /nfs/dbraw/zinc/59/53/74/563595374.db2.gz KRAFZUCCWHHUKF-UHFFFAOYSA-N 0 0 332.444 3.667 40 30 EHEBRN CCCCCCCCCCNC(=O)C(=O)Nc1ccccc1OC ZINC000408709174 563596522 /nfs/dbraw/zinc/59/65/22/563596522.db2.gz PGJXHDRMFJSNOE-UHFFFAOYSA-N 0 0 334.460 3.891 40 30 EHEBRN C=CCOc1ccc(NC(=O)C(=O)NC[C@H](CC)CCCC)cc1 ZINC000408709054 563597540 /nfs/dbraw/zinc/59/75/40/563597540.db2.gz OOIFSRMCKYBGRC-OAHLLOKOSA-N 0 0 332.444 3.523 40 30 EHEBRN CCCCCCCC(=O)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000408751419 563641095 /nfs/dbraw/zinc/64/10/95/563641095.db2.gz OMZLULSBNBOUCI-SWLSCSKDSA-N 0 0 334.382 3.986 40 30 EHEBRN CC=Cc1ccccc1CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000013407780 563697737 /nfs/dbraw/zinc/69/77/37/563697737.db2.gz QYVIXEGCYVRHGB-FXPAIDCSSA-N 0 0 326.312 3.982 40 30 EHEBRN COC(=O)[C@@H]1C(=O)C=C(c2ccccc2)C[C@@H]1c1ccc(N(C)C)cc1 ZINC000068602776 563963275 /nfs/dbraw/zinc/96/32/75/563963275.db2.gz IXNYZELJOUJEOT-CTNGQTDRSA-N 0 0 349.430 3.682 40 30 EHEBRN CC=CC(=O)[C@H](C(=O)OC(C)(C)C)[C@@H](c1ccccc1)[C@H](C)[N+](=O)[O-] ZINC000257346772 563970678 /nfs/dbraw/zinc/97/06/78/563970678.db2.gz HTQLNQIWJBMCJJ-YHCOECPMSA-N 0 0 347.411 3.539 40 30 EHEBRN C[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)C[C@H]3O[C@]312 ZINC000118917879 563992492 /nfs/dbraw/zinc/99/24/92/563992492.db2.gz BAEFASBRYLYOEE-CTJFICDBSA-N 0 0 330.468 3.647 40 30 EHEBRN C=CCc1cc(C(=O)NCCOc2cccc(C)c2)ccc1OC ZINC000224126096 563992607 /nfs/dbraw/zinc/99/26/07/563992607.db2.gz ZTSVRQXHCUDRLR-UHFFFAOYSA-N 0 0 325.408 3.541 40 30 EHEBRN C=CCN(c1ccccc1F)S(=O)(=O)c1ccc(SC)cc1 ZINC000224981967 563995397 /nfs/dbraw/zinc/99/53/97/563995397.db2.gz CHQDVRPPZZGXCY-UHFFFAOYSA-N 0 0 337.441 3.929 40 30 EHEBRN COc1cc(N=NC(C)c2ccc(N)cc2)nc(-c2ccccc2)n1 ZINC000005003452 564005668 /nfs/dbraw/zinc/00/56/68/564005668.db2.gz IJEGQNJDNKLMFC-YDZHTSKRSA-N 0 0 333.395 3.571 40 30 EHEBRN Cc1cc(N2CCOCC2)ccc1/C=N\c1ccc(Cl)cc1O ZINC000409093928 564009656 /nfs/dbraw/zinc/00/96/56/564009656.db2.gz BSRLVHBKRPXOIQ-NDENLUEZSA-N 0 0 330.815 3.941 40 30 EHEBRN Oc1cc(Cl)ccc1/N=C\c1ccc(N2CCOCC2)c(F)c1 ZINC000409140283 564010504 /nfs/dbraw/zinc/01/05/04/564010504.db2.gz RBMFZWFJRFNZBZ-JAIQZWGSSA-N 0 0 334.778 3.772 40 30 EHEBRN CC(=O)Nc1ccc(CN=Nc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000005378330 564014001 /nfs/dbraw/zinc/01/40/01/564014001.db2.gz SOZOPQQBJZWDTP-AERZKKPOSA-N 0 0 343.255 3.787 40 30 EHEBRN C/C(=N\NS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC000013956376 564020747 /nfs/dbraw/zinc/02/07/47/564020747.db2.gz MGQVHXXQYZRYGV-LICLKQGHSA-N 0 0 343.235 3.696 40 30 EHEBRN Cc1nc2n(n1)[C@@H](c1ccc(C(C)C)cc1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000014608131 564023642 /nfs/dbraw/zinc/02/36/42/564023642.db2.gz YYFJVKKCRZJLSQ-BUXKBTBVSA-N 0 0 336.439 3.978 40 30 EHEBRN C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccccc1 ZINC000027391821 564024338 /nfs/dbraw/zinc/02/43/38/564024338.db2.gz VOVXOTYWROWXLW-AWEZNQCLSA-N 0 0 340.448 3.722 40 30 EHEBRN N#CC1(c2ccc(NC(=O)c3cnn(Cc4ccccc4)c3)cc2)CC1 ZINC000225889041 564049916 /nfs/dbraw/zinc/04/99/16/564049916.db2.gz GILDWCXHECYRBN-UHFFFAOYSA-N 0 0 342.402 3.739 40 30 EHEBRN C=C1C(=O)O[C@H]2C[C@H]1CC[C@@]1(C)O[C@H]1CC/C(C)=C\CC[C@]2(C)O ZINC000005430744 564070563 /nfs/dbraw/zinc/07/05/63/564070563.db2.gz YKKJETNBRNDYKN-ZIVFHRHJSA-N 0 0 334.456 3.683 40 30 EHEBRN CCOC(=O)C(Cl)=NNc1ccc(Cl)cc1C(F)(F)F ZINC000008430977 564084090 /nfs/dbraw/zinc/08/40/90/564084090.db2.gz MCIFKBFKKIRXKP-GIJQJNRQSA-N 0 0 329.105 3.886 40 30 EHEBRN C=CCOc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1OC ZINC000058654700 564128595 /nfs/dbraw/zinc/12/85/95/564128595.db2.gz GLPJQFQLJKJEAL-CPNJWEJPSA-N 0 0 341.436 3.581 40 30 EHEBRN Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(C)c(C)c2)n1 ZINC000000411567 564133189 /nfs/dbraw/zinc/13/31/89/564133189.db2.gz BZBWXVNOBFHUGL-UHFFFAOYSA-N 0 0 325.437 3.918 40 30 EHEBRN CCCN(CCC)c1nn(-c2cccc(C(F)(F)F)c2)nc1C#N ZINC000256048920 564134707 /nfs/dbraw/zinc/13/47/07/564134707.db2.gz XBFLZEHPPQJFDK-UHFFFAOYSA-N 0 0 337.349 3.784 40 30 EHEBRN CC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000013955121 201921468 /nfs/dbraw/zinc/92/14/68/201921468.db2.gz GJNUVLIPQNQTSQ-FBMGVBCBSA-N 0 0 336.844 3.741 40 30 EHEBRN CC[C@]1(O)CC[C@@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253505652 291000653 /nfs/dbraw/zinc/00/06/53/291000653.db2.gz ZCFJEQCDYPITIH-GLABIRJZSA-N 0 0 330.468 3.838 40 30 biogenic,in-vitro EHEBRN Cc1ccc2cc(C#N)c(NCCNC(=O)C3CCCCC3)nc2c1 ZINC000020151401 202034111 /nfs/dbraw/zinc/03/41/11/202034111.db2.gz ASRRRZKJBLBEIL-UHFFFAOYSA-N 0 0 336.439 3.523 40 30 EHEBRN Cc1cc(Cl)c(O)c(/C=N/c2ccc(CN3CCOCC3)cc2)c1 ZINC000022248216 202082169 /nfs/dbraw/zinc/08/21/69/202082169.db2.gz FZGBXUIKFUPPPY-CIAFOILYSA-N 0 0 344.842 3.937 40 30 EHEBRN N#Cc1cc2c(cc1C#N)Oc1ccc(Br)cc1C(=O)N2 ZINC000024522964 212424027 /nfs/dbraw/zinc/42/40/27/212424027.db2.gz JZBIBIOUCVJQKX-UHFFFAOYSA-N 0 0 340.136 3.550 40 30 EHEBRN C#CCOC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ccccc21 ZINC000216941480 241225035 /nfs/dbraw/zinc/22/50/35/241225035.db2.gz UHTDFWVNDVXXBY-UHFFFAOYSA-N 0 0 332.315 3.600 40 30 EHEBRN Cc1ccc(Cn2nc(OCc3cc(C)ccc3C)c(C#N)c2N)cc1 ZINC000225846236 242061361 /nfs/dbraw/zinc/06/13/61/242061361.db2.gz UORCKQMDFJTNIX-UHFFFAOYSA-N 0 0 346.434 3.890 40 30 EHEBRN CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C ZINC000004803402 201619408 /nfs/dbraw/zinc/61/94/08/201619408.db2.gz WHFHAAOGZDECTE-OLGWUGKESA-N 0 0 346.442 3.707 40 30 in-vitro EHEBRN CC(=O)n1nc(C(F)(F)F)cc1C(F)(F)C(F)(F)C(F)(F)F ZINC000095708073 203767096 /nfs/dbraw/zinc/76/70/96/203767096.db2.gz QKHAUEMBHMCVLI-UHFFFAOYSA-N 0 0 346.124 3.851 40 30 EHEBRN C/C=C(\C)C(=O)O[C@H]1CC(C)=CC(=O)[C@@]2(C)CC[C@@](O)(C(C)C)[C@H]12 ZINC000004025471 205671129 /nfs/dbraw/zinc/67/11/29/205671129.db2.gz YMWBTMBPEHUMBA-FAKHFBMMSA-N 0 0 334.456 3.587 40 30 biogenic EHEBRN O=C1C=C/C(=N\S(=O)(=O)c2cccc3ccccc32)c2ccccc21 ZINC000005234122 205762322 /nfs/dbraw/zinc/76/23/22/205762322.db2.gz UMUBMSQRNKLAHA-DYTRJAOYSA-N 0 0 347.395 3.770 40 30 EHEBRN CCOc1cc(C#N)ccc1OCC(=O)Nc1ccccc1Cl ZINC000006541031 257866390 /nfs/dbraw/zinc/86/63/90/257866390.db2.gz GPIOGEJDJWFYPC-UHFFFAOYSA-N 0 0 330.771 3.628 40 30 EHEBRN C#C[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@@](O)(C#C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253596441 258014784 /nfs/dbraw/zinc/01/47/84/258014784.db2.gz RGONBQJNKIRXIP-PTNUZCQYSA-N 0 0 340.507 3.758 40 30 EHEBRN Cc1cc(/N=C/c2cc(Cl)ccc2O)ccc1N1CCOCC1 ZINC000057351140 132199761 /nfs/dbraw/zinc/19/97/61/132199761.db2.gz DQTLECPQRBIECB-UDWIEESQSA-N 0 0 330.815 3.941 40 30 EHEBRN C=CCOc1ccc(C=C2SC(Nc3cccnc3)=NC2=O)cc1 ZINC000005375848 519014452 /nfs/dbraw/zinc/01/44/52/519014452.db2.gz ACUYNBKYLPUVPS-LFIBNONCSA-N 0 0 337.404 3.729 40 30 EHEBRN C=CCc1cc(C(=O)NCCCN(C)c2ccccc2)ccc1OC ZINC000218661012 534409589 /nfs/dbraw/zinc/40/95/89/534409589.db2.gz KLYYWKVLPJOQJP-UHFFFAOYSA-N 0 0 338.451 3.680 40 30 EHEBRN CCOc1cc(/C=N\O)cc(Cl)c1OC(=O)c1ccc(OC)cc1 ZINC000216782644 535661639 /nfs/dbraw/zinc/66/16/39/535661639.db2.gz SMMOENYEJDNLNY-GRSHGNNSSA-N 0 0 349.770 3.775 40 30 EHEBRN NOC(=O)[C@H]1[C@@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 ZINC000001707153 563405731 /nfs/dbraw/zinc/40/57/31/563405731.db2.gz UYOXWYCIAHPBLL-WOJBJXKFSA-N 0 0 329.399 3.803 40 30 EHEBRN C#CCn1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000408591792 563491828 /nfs/dbraw/zinc/49/18/28/563491828.db2.gz KNSDRTJITYIOBJ-UDWIEESQSA-N 0 0 333.347 3.733 40 30 EHEBRN CC1(C)CC(=O)C2=C(C1)NC(=S)[C@@H](C#N)[C@@H]2c1ccc(F)cc1 ZINC000005231379 563523721 /nfs/dbraw/zinc/52/37/21/563523721.db2.gz XKUKBYWGAGZROI-WFASDCNBSA-N 0 0 328.412 3.623 40 30 EHEBRN COc1ccc(/C(C)=N\N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000005260571 563524449 /nfs/dbraw/zinc/52/44/49/563524449.db2.gz WSDFLKMNHSKEHV-QNGOZBTKSA-N 0 0 343.858 3.895 40 30 EHEBRN CCOc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(C)o3)S2)cc1 ZINC000005376672 563530093 /nfs/dbraw/zinc/53/00/93/563530093.db2.gz XPDPUMUKGNHBPA-XNTDXEJSSA-N 0 0 328.393 3.878 40 30 EHEBRN CCCc1ccc(C#N)c(SCC(=O)Nc2ccc(C#N)cc2)n1 ZINC000005585145 563541035 /nfs/dbraw/zinc/54/10/35/563541035.db2.gz PIYFKSFQWSJAHQ-UHFFFAOYSA-N 0 0 336.420 3.508 40 30 EHEBRN Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(O)c(O)c3)S2)c1 ZINC000008410884 563629704 /nfs/dbraw/zinc/62/97/04/563629704.db2.gz YDRALUDFQUIYRC-SXGWCWSVSA-N 0 0 340.404 3.606 40 30 EHEBRN COc1cccc(/C=C2\CN(C)C/C(=C/c3cccc(OC)c3)C2=O)c1 ZINC000016189000 563805654 /nfs/dbraw/zinc/80/56/54/563805654.db2.gz UNBGFRDJQOWCBH-OMYAATJGSA-N 0 0 349.430 3.685 40 30 EHEBRN CC(=CC(=O)ONC(=O)c1ccc(C)cc1)Nc1ccc(Cl)cc1 ZINC000016292019 563807758 /nfs/dbraw/zinc/80/77/58/563807758.db2.gz AMJZYEYIKMTWIM-QBFSEMIESA-N 0 0 344.798 3.852 40 30 EHEBRN C=CCc1cc(C(=O)NCCOc2cccc(C)c2C)ccc1OC ZINC000223931079 563991361 /nfs/dbraw/zinc/99/13/61/563991361.db2.gz TZCQKTTZSUFTLD-UHFFFAOYSA-N 0 0 339.435 3.849 40 30 EHEBRN C/C(=N\OC(=O)COc1cc(C)c(Cl)c(C)c1)c1ccncc1 ZINC000000138534 563996141 /nfs/dbraw/zinc/99/61/41/563996141.db2.gz SKYVJTOTKNWJNM-DEDYPNTBSA-N 0 0 332.787 3.698 40 30 EHEBRN C#CCOc1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1OCC ZINC000409015689 564008982 /nfs/dbraw/zinc/00/89/82/564008982.db2.gz DCYKXIRGUVENSH-LFIBNONCSA-N 0 0 345.420 3.542 40 30 EHEBRN CCOc1cc2c(cc1/C=N\c1ccc(C(=O)OC)cc1C)OCO2 ZINC000409094361 564009648 /nfs/dbraw/zinc/00/96/48/564009648.db2.gz DQRRDTVLFDTUQQ-JMIUGGIZSA-N 0 0 341.363 3.660 40 30 EHEBRN COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Cl)c1OC ZINC000409086938 564009686 /nfs/dbraw/zinc/00/96/86/564009686.db2.gz SCMFRBLMNJPFEO-JYRVWZFOSA-N 0 0 343.766 3.702 40 30 EHEBRN O=[N+]([O-])c1ccc([N-][NH+]=Cc2ccc(N3CCCC3)c(F)c2)cc1 ZINC000409096485 564009841 /nfs/dbraw/zinc/00/98/41/564009841.db2.gz DLRSEXXJWXNBRQ-XDHOZWIPSA-N 0 0 328.347 3.780 40 30 EHEBRN Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccn2C)S1 ZINC000409098943 564009907 /nfs/dbraw/zinc/00/99/07/564009907.db2.gz RNGNOVAAVYEUSD-ZROIWOOFSA-N 0 0 331.828 3.879 40 30 EHEBRN C=CCOc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000409233029 564011261 /nfs/dbraw/zinc/01/12/61/564011261.db2.gz CYAMRUICLSZZMI-CPNJWEJPSA-N 0 0 348.402 3.653 40 30 EHEBRN C=CCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OC ZINC000113855373 564019733 /nfs/dbraw/zinc/01/97/33/564019733.db2.gz RYBPASHVYREIPE-VBKFSLOCSA-N 0 0 335.359 3.605 40 30 EHEBRN CCOC(=O)C(CCc1ccccc1)N=Nc1ncnc2ccccc21 ZINC000007786557 564034492 /nfs/dbraw/zinc/03/44/92/564034492.db2.gz CWWJMAJYEBIXLM-NKFKGCMQSA-N 0 0 348.406 3.594 40 30 EHEBRN CC[C@@H]1OC(=O)[C@H](C)C(=O)C(C)=C[C@H](C)C[C@@H](C)C(=O)C=C[C@H]1C ZINC000604378754 564034612 /nfs/dbraw/zinc/03/46/12/564034612.db2.gz IJMBDRQWRQKUCH-QBVBBOAASA-N 0 0 334.456 3.897 40 30 biogenic,in-vitro EHEBRN N#CCc1ccc(NC(=S)NCCCc2ccc(F)cc2)cc1 ZINC000225547024 564047739 /nfs/dbraw/zinc/04/77/39/564047739.db2.gz ASYCJHZDQZGDIZ-UHFFFAOYSA-N 0 0 327.428 3.811 40 30 EHEBRN CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000077302018 564064469 /nfs/dbraw/zinc/06/44/69/564064469.db2.gz QHEQDIOZYZOPKF-HBNHAYAOSA-N 0 0 342.479 3.860 40 30 in-vitro EHEBRN C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]3CC(=O)[C@H](O)[C@]3(C)CC[C@H]21 ZINC000006415851 564070748 /nfs/dbraw/zinc/07/07/48/564070748.db2.gz UPMXTBWCFFZRCM-WQBVUOOHSA-N 0 0 326.436 3.647 40 30 EHEBRN CC(C)CC(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000000570372 564076585 /nfs/dbraw/zinc/07/65/85/564076585.db2.gz SVVRZIUIROCPRB-JTQLQIEISA-N 0 0 335.498 3.604 40 30 EHEBRN C=C(C)COc1cccc(C(=O)Nc2cccc(C(=O)OC)c2)c1 ZINC000219784925 564084166 /nfs/dbraw/zinc/08/41/66/564084166.db2.gz ALJBZINDFUUTEG-UHFFFAOYSA-N 0 0 325.364 3.680 40 30 EHEBRN COc1ccc(OC)c(-c2c(C#N)c(=S)[nH]c3c2CCCC3)c1 ZINC000028465526 564085806 /nfs/dbraw/zinc/08/58/06/564085806.db2.gz POKYLYIEXRBJQW-CQSZACIVSA-N 0 0 326.421 3.953 40 30 EHEBRN N#C[C@]12C(=N)O[C@@]3(CCCCC[C@H]31)O[C@@H](c1ccccc1)C2(C#N)C#N ZINC000005069180 564125279 /nfs/dbraw/zinc/12/52/79/564125279.db2.gz DSWYUGSSEJEZIF-XAMWDVODSA-N 0 0 346.390 3.586 40 30 EHEBRN N#C[C@]12C(=N)O[C@@]3(CCCCC[C@H]31)O[C@H](c1ccccc1)C2(C#N)C#N ZINC000005069173 564125281 /nfs/dbraw/zinc/12/52/81/564125281.db2.gz DSWYUGSSEJEZIF-LNKGRISISA-N 0 0 346.390 3.586 40 30 EHEBRN COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1ccccc1C ZINC000008571001 564127565 /nfs/dbraw/zinc/12/75/65/564127565.db2.gz KXNMFLUPQSOLEI-ITEXZYEPSA-N 0 0 325.364 3.736 40 30 EHEBRN COc1ccc(C(=O)/C=C/c2cc([N+](=O)[O-])c(OC)cc2OC)cc1 ZINC000007939563 564129840 /nfs/dbraw/zinc/12/98/40/564129840.db2.gz KLBLBZVPRIIZBW-RMKNXTFCSA-N 0 0 343.335 3.517 40 30 EHEBRN CC1=C2C3=C(C(=O)CC(C)(C)C3)[C@@H](c3ccc(Cl)cc3)N[C@H]2NN1 ZINC000016607984 564129852 /nfs/dbraw/zinc/12/98/52/564129852.db2.gz GOBFNXFQYFKPEV-JQHSSLGASA-N 0 0 343.858 3.591 40 30 EHEBRN CC[C@@H](C)NC(=O)CSc1nc2c(C)cc(C)cc2cc1C#N ZINC000000416728 564133193 /nfs/dbraw/zinc/13/31/93/564133193.db2.gz ROQWELCNTUVWFM-CYBMUJFWSA-N 0 0 327.453 3.730 40 30 EHEBRN COc1ccc(-c2c(C#N)c(N)ncc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000408979096 564133691 /nfs/dbraw/zinc/13/36/91/564133691.db2.gz LGAGEPCDRVTGSA-UHFFFAOYSA-N 0 0 346.346 3.617 40 30 EHEBRN Cc1ccc(-n2nc(C#N)c(N3CC[C@@H](c4ccccc4)C3)n2)cc1C ZINC000256047553 564134713 /nfs/dbraw/zinc/13/47/13/564134713.db2.gz NCCUBFKQLZRGAO-GOSISDBHSA-N 0 0 343.434 3.750 40 30 EHEBRN CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]12C ZINC000245204770 564168705 /nfs/dbraw/zinc/16/87/05/564168705.db2.gz GZENKSODFLBBHQ-JJFUVHHOSA-N 0 0 344.495 3.940 40 30 EHEBRN C=CCOc1cccc(NC(=O)C2(c3ccccc3)CCOCC2)c1 ZINC000056337613 214371972 /nfs/dbraw/zinc/37/19/72/214371972.db2.gz YSHJYGYZBXQPAW-UHFFFAOYSA-N 0 0 337.419 3.938 40 30 EHEBRN Oc1ccc2ccccc2c1/C=N\N1CCN(Cc2ccccc2)CC1 ZINC000019771677 202019525 /nfs/dbraw/zinc/01/95/25/202019525.db2.gz DPHIYJOMKUPDTA-KQWNVCNZSA-N 0 0 345.446 3.697 40 30 EHEBRN C=C1C(=O)O[C@H]2C[C@H]1CC[C@@]1(C)O[C@H]1CC/C(C)=C\CC[C@]2(C)O ZINC000038192960 213204702 /nfs/dbraw/zinc/20/47/02/213204702.db2.gz YKKJETNBRNDYKN-LZIPEMHPSA-N 0 0 334.456 3.683 40 30 EHEBRN COc1ccc2c(c1)O[C@H](C)C/C2=N\OC(=O)c1ccc(F)cc1 ZINC000021006053 202060530 /nfs/dbraw/zinc/06/05/30/202060530.db2.gz PHYMGDVPYAKNGY-BOZGJOGLSA-N 0 0 329.327 3.566 40 30 EHEBRN C[C@@H]1CC(=O)C2C(=Nc3ncnn3[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000022608021 202088983 /nfs/dbraw/zinc/08/89/83/202088983.db2.gz QMKBMVQFHBMVSM-AYVTZFPOSA-N 0 0 349.221 3.853 40 30 EHEBRN N#Cc1ccc(NCc2ccccc2Br)c([N+](=O)[O-])c1 ZINC000039956394 202166800 /nfs/dbraw/zinc/16/68/00/202166800.db2.gz JRODANIMDCPSAY-UHFFFAOYSA-N 0 0 332.157 3.841 40 30 EHEBRN Cc1cc(=O)n(C2CCCC2)c(SCc2ccc(C#N)cc2)n1 ZINC000028616946 202173613 /nfs/dbraw/zinc/17/36/13/202173613.db2.gz JQIHFBQVDBNJGD-UHFFFAOYSA-N 0 0 325.437 3.831 40 30 EHEBRN CCOC(=O)c1cccc(NC=CC(=O)c2ccc(OC)cc2)c1 ZINC000032100068 202221913 /nfs/dbraw/zinc/22/19/13/202221913.db2.gz LWENPEPPULWCOR-VAWYXSNFSA-N 0 0 325.364 3.680 40 30 EHEBRN C=CCN1c2sc3c(c2C(c2cccs2)=NCC1=O)CCC3 ZINC000000419033 201054951 /nfs/dbraw/zinc/05/49/51/201054951.db2.gz UXZSKUVMVITZFY-UHFFFAOYSA-N 0 0 328.462 3.668 40 30 EHEBRN S=C1N=NC(C2CCCCC2)N1N=Cc1c[nH]c2ccccc12 ZINC000000032489 201424511 /nfs/dbraw/zinc/42/45/11/201424511.db2.gz ATKTZMWHVWBYLZ-YBFXNURJSA-N 0 0 325.441 3.978 40 30 EHEBRN C#CCOC(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000216892073 241217350 /nfs/dbraw/zinc/21/73/50/241217350.db2.gz FDUJOYDBSAUKRW-YRNVUSSQSA-N 0 0 340.350 3.603 40 30 EHEBRN CCc1ccc([C@@H]2[C@H](C#N)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000218565068 241330218 /nfs/dbraw/zinc/33/02/18/241330218.db2.gz DQVARHGFUIUDEZ-OTWHNJEPSA-N 0 0 325.433 3.637 40 30 EHEBRN Cc1ccc(Cn2nc(OCc3ccc(C)c(C)c3)c(C#N)c2N)cc1 ZINC000225846285 242061241 /nfs/dbraw/zinc/06/12/41/242061241.db2.gz WWTPEJQKFQNAOX-UHFFFAOYSA-N 0 0 346.434 3.890 40 30 EHEBRN CCCO[C@@]1(C(=O)Nc2ccc(OC)cc2C#N)CCC[C@@H](C)C1 ZINC000225854897 242063384 /nfs/dbraw/zinc/06/33/84/242063384.db2.gz ASMUOXSGAQYDKU-KUHUBIRLSA-N 0 0 330.428 3.881 40 30 EHEBRN N#Cc1cc(N)c(Oc2ccc3c(c2)OCO3)n1Cc1ccccc1 ZINC000225886338 242071619 /nfs/dbraw/zinc/07/16/19/242071619.db2.gz ZBPJRNLMJIJAPH-UHFFFAOYSA-N 0 0 333.347 3.511 40 30 EHEBRN O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C\c1ccc(O)c(O)c1 ZINC000005376380 201648689 /nfs/dbraw/zinc/64/86/89/201648689.db2.gz JQPJYJRWRFUTNF-ZSOIEALJSA-N 0 0 346.795 3.643 40 30 EHEBRN CCCCCCCCCCS(=O)(=O)N(CCC#N)CCC#N ZINC000100932704 204000124 /nfs/dbraw/zinc/00/01/24/204000124.db2.gz DCVUJKYLKVPDMX-UHFFFAOYSA-N 0 0 327.494 3.586 40 30 EHEBRN O=C1ON=C(c2ccccc2F)/C1=C/c1cccc(Br)c1 ZINC000101662464 204018734 /nfs/dbraw/zinc/01/87/34/204018734.db2.gz NNSQSOLUSMZDRU-LCYFTJDESA-N 0 0 346.155 3.933 40 30 EHEBRN CC(=O)c1cccc(N=Cc2ccc(OCC(=O)OC(C)C)cc2)c1 ZINC000409186508 257875733 /nfs/dbraw/zinc/87/57/33/257875733.db2.gz DAQJYAMAJBZDHP-CIAFOILYSA-N 0 0 339.391 3.970 40 30 EHEBRN COc1ccc(N=C2NC(=O)/C(=C/c3sccc3C)S2)cc1 ZINC000408997915 257883447 /nfs/dbraw/zinc/88/34/47/257883447.db2.gz OWUSAHYUTHFCKS-ZROIWOOFSA-N 0 0 330.434 3.957 40 30 EHEBRN Cc1ccc(C)n1-c1ccc(/N=C\c2ccc(OCC(N)=O)cc2)cc1 ZINC000408904224 257886478 /nfs/dbraw/zinc/88/64/78/257886478.db2.gz GSHYGQZDZBKYRZ-QRVIBDJDSA-N 0 0 347.418 3.709 40 30 EHEBRN C=CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1OCC ZINC000408534599 257897860 /nfs/dbraw/zinc/89/78/60/257897860.db2.gz VQYHBWBVLLVVEZ-UHFFFAOYSA-N 0 0 327.380 3.911 40 30 EHEBRN N#Cc1ccc(C(=O)Nc2ccc(Br)cc2F)c(F)c1 ZINC000014258269 257858814 /nfs/dbraw/zinc/85/88/14/257858814.db2.gz KNAXQYRILHMHRC-UHFFFAOYSA-N 0 0 337.123 3.851 40 30 EHEBRN Clc1cccc(/C=N\N2CCN(c3ccccn3)CC2)c1Cl ZINC000016545973 135710280 /nfs/dbraw/zinc/71/02/80/135710280.db2.gz FQGBDHUHGCHKMN-NDENLUEZSA-N 0 0 335.238 3.545 40 30 EHEBRN C[C@H](CN1c2ccccc2Sc2ccccc21)OS(C)(=O)=O ZINC000001637939 563398107 /nfs/dbraw/zinc/39/81/07/563398107.db2.gz IJBBLIUQGAMVGF-GFCCVEGCSA-N 0 0 335.450 3.654 40 30 EHEBRN CCN(CC)c1ccc([C@@H](O)C2=CC(=O)c3ccccc3C2=O)cc1 ZINC000001689036 563403967 /nfs/dbraw/zinc/40/39/67/563403967.db2.gz ITMUNRMIPBDJRP-HXUWFJFHSA-N 0 0 335.403 3.572 40 30 EHEBRN CC(C)C(=O)Cc1nc2ccc([N+](=O)[O-])cc2nc1CC(=O)C(C)C ZINC000004235780 563497967 /nfs/dbraw/zinc/49/79/67/563497967.db2.gz OWNRXCQUMUTKES-SRKDFGFSSA-N 0 0 343.383 3.650 40 30 EHEBRN COc1ccc(/C(C)=N/N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000004550382 563505023 /nfs/dbraw/zinc/50/50/23/563505023.db2.gz WSDFLKMNHSKEHV-RCCKNPSSSA-N 0 0 343.858 3.895 40 30 EHEBRN CC[C@H]1S/C(=N/N=C\c2ccco2)N(c2ccc(F)cc2)C1=O ZINC000009189567 563642590 /nfs/dbraw/zinc/64/25/90/563642590.db2.gz XCNZYAJNAYUKSU-WVHBNEAGSA-N 0 0 331.372 3.667 40 30 EHEBRN Fc1ccccc1/C=N\N1CCN(Cc2ccccc2Cl)CC1 ZINC000013154653 563691690 /nfs/dbraw/zinc/69/16/90/563691690.db2.gz FPJCKCMLPYYNAN-BKUYFWCQSA-N 0 0 331.822 3.631 40 30 EHEBRN CC/C(=N/N=C1/S[C@H](C)C(=O)N1Cc1ccco1)c1ccccc1 ZINC000013547970 563701034 /nfs/dbraw/zinc/70/10/34/563701034.db2.gz IOQGCFQJRDDVBG-CUSSZXPPSA-N 0 0 341.436 3.914 40 30 EHEBRN N#CCC(=O)c1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)cc1 ZINC000098210924 563982240 /nfs/dbraw/zinc/98/22/40/563982240.db2.gz BNFVABDWXRGFOW-JTQLQIEISA-N 0 0 327.180 3.587 40 30 EHEBRN CCOC(=O)C(Cl)=NNc1ccc(Cl)cc1C(F)(F)F ZINC000100207343 563982412 /nfs/dbraw/zinc/98/24/12/563982412.db2.gz MCIFKBFKKIRXKP-NVMNQCDNSA-N 0 0 329.105 3.886 40 30 EHEBRN CCCCCCCCNC(=O)C(=O)Nc1ccc(OCCC)cc1 ZINC000100994142 563982907 /nfs/dbraw/zinc/98/29/07/563982907.db2.gz TVZBIKAOQKFDDF-UHFFFAOYSA-N 0 0 334.460 3.891 40 30 EHEBRN C=CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000224577729 563994388 /nfs/dbraw/zinc/99/43/88/563994388.db2.gz AUSPTPOJMBNKKS-UHFFFAOYSA-N 0 0 331.437 3.775 40 30 EHEBRN C=CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(C)cc1 ZINC000224692078 563994630 /nfs/dbraw/zinc/99/46/30/563994630.db2.gz NJFLLSLMJBEJRO-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000224850458 563995020 /nfs/dbraw/zinc/99/50/20/563995020.db2.gz YHCBWTOGBYHTHO-UHFFFAOYSA-N 0 0 337.828 3.730 40 30 EHEBRN N#Cc1ccc(/C=N/NC(=S)Nc2ccccc2C(F)(F)F)cc1 ZINC000006299731 564006409 /nfs/dbraw/zinc/00/64/09/564006409.db2.gz LDLZDKCVFDDZQM-UFFVCSGVSA-N 0 0 348.353 3.898 40 30 EHEBRN Cc1cc(N2CCOCC2)ccc1/C=N\c1ccc([N+](=O)[O-])cc1C ZINC000409068690 564009382 /nfs/dbraw/zinc/00/93/82/564009382.db2.gz HORSDGMVTOFVOR-MOSHPQCFSA-N 0 0 339.395 3.799 40 30 EHEBRN CC[C@@H](C)Oc1ccc(CN=Nc2ncccc2[N+](=O)[O-])cc1OC ZINC000409101823 564009948 /nfs/dbraw/zinc/00/99/48/564009948.db2.gz WSBPQDTUCUXTEQ-ZGXHQARYSA-N 0 0 344.371 3.622 40 30 EHEBRN CC1=C2C3=C(C(=O)CC(C)(C)C3)[C@H](c3ccc(Cl)cc3)N[C@@H]2NN1 ZINC000104882250 564013966 /nfs/dbraw/zinc/01/39/66/564013966.db2.gz GOBFNXFQYFKPEV-BPQIPLTHSA-N 0 0 343.858 3.591 40 30 EHEBRN O=C1ON=C(c2ccc(Cl)c([N+](=O)[O-])c2)/C1=C/c1ccccc1 ZINC000012375784 564038968 /nfs/dbraw/zinc/03/89/68/564038968.db2.gz JPQVKQGXUMAFAZ-WQLSENKSSA-N 0 0 328.711 3.593 40 30 EHEBRN CCC(=NOC/C=C\Cl)C1C(=O)CC(C2CCOCC2)CC1=O ZINC000299888411 564060895 /nfs/dbraw/zinc/06/08/95/564060895.db2.gz IOYNQIMAUDJVEI-PPNJGFEFSA-N 0 0 341.835 3.739 40 30 EHEBRN Cc1ccccc1OCc1nc(SC2CCCC2)nc(N)c1C#N ZINC000223682730 564081750 /nfs/dbraw/zinc/08/17/50/564081750.db2.gz WNPRFOXYCLRQRR-UHFFFAOYSA-N 0 0 340.452 3.853 40 30 EHEBRN Cc1ccc(S(=O)(=O)O[C@@H]2CCCC[C@@H]2c2ccccn2)cc1 ZINC000004137109 564125138 /nfs/dbraw/zinc/12/51/38/564125138.db2.gz VGNOUPQTSJJLHK-SJLPKXTDSA-N 0 0 331.437 3.822 40 30 EHEBRN CC(C)N1c2ccccc2C(=NN=c2[nH]c3ccccc3s2)C1=O ZINC000111679135 564130046 /nfs/dbraw/zinc/13/00/46/564130046.db2.gz KZNLCVTYQAQINM-CAPFRKAQSA-N 0 0 336.420 3.868 40 30 EHEBRN N#Cc1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc1 ZINC000214379917 564133114 /nfs/dbraw/zinc/13/31/14/564133114.db2.gz WTIZGVZBLGRMPC-CXUHLZMHSA-N 0 0 338.363 3.934 40 30 EHEBRN Cc1ccc(C)c2nc(SCC(=O)NC3CCCC3)c(C#N)cc12 ZINC000000410920 564133186 /nfs/dbraw/zinc/13/31/86/564133186.db2.gz DCVDEZPSUTUYGW-UHFFFAOYSA-N 0 0 339.464 3.874 40 30 EHEBRN CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C ZINC000253617978 564133251 /nfs/dbraw/zinc/13/32/51/564133251.db2.gz GZENKSODFLBBHQ-GKAPPGOESA-N 0 0 344.495 3.940 40 30 EHEBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(C#N)cc3)S2)cc1 ZINC000408776688 564133660 /nfs/dbraw/zinc/13/36/60/564133660.db2.gz QCIIFEKCWXJHCF-XGHXRCDJSA-N 0 0 335.432 3.720 40 30 EHEBRN COCc1cc(C)nc(SCC(=O)c2ccc(C)cc2)c1C#N ZINC000408999475 564133713 /nfs/dbraw/zinc/13/37/13/564133713.db2.gz LHVCNTFOSAUFEA-UHFFFAOYSA-N 0 0 326.421 3.692 40 30 EHEBRN CCCN(CCC)c1nn(-c2ccccc2C(F)(F)F)nc1C#N ZINC000256048798 564134708 /nfs/dbraw/zinc/13/47/08/564134708.db2.gz WFTAJBUTRFCQJN-UHFFFAOYSA-N 0 0 337.349 3.784 40 30 EHEBRN CC(C)(C)Nc1nc(Nc2cccc(C#N)c2)cc(-c2ccncc2)n1 ZINC000329062925 564137668 /nfs/dbraw/zinc/13/76/68/564137668.db2.gz XASBGZYBDNDSGB-UHFFFAOYSA-N 0 0 344.422 3.786 40 30 EHEBRN Cc1cc(C)n(-c2nnc(C)n2/N=C/c2cccc(Cl)c2Cl)n1 ZINC000015015693 201947691 /nfs/dbraw/zinc/94/76/91/201947691.db2.gz ZSKMIXIPONDLQB-QGMBQPNBSA-N 0 0 349.225 3.578 40 30 EHEBRN C=C[C@@](C)(O)/C=C\C=C(\C)[C@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C\C ZINC000104203343 219361114 /nfs/dbraw/zinc/36/11/14/219361114.db2.gz VXKDXPKKPDBCSU-KGCPBTOYSA-N 0 0 334.456 3.871 40 30 EHEBRN N#Cc1c(N)n(-c2cc(C(F)(F)F)ccn2)nc1-c1cccc(F)c1 ZINC000039955076 213245363 /nfs/dbraw/zinc/24/53/63/213245363.db2.gz KEAPOEUCGABMJL-UHFFFAOYSA-N 0 0 347.275 3.546 40 30 EHEBRN CCSc1nc2n(n1)[C@@H](c1cccs1)C1C(=O)C[C@H](C)CC1=N2 ZINC000019959601 202027704 /nfs/dbraw/zinc/02/77/04/202027704.db2.gz BDBUBGRUZFQMFT-OTYXRUKQSA-N 0 0 346.481 3.720 40 30 EHEBRN COc1cc([C@@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)ccc1O ZINC000020797151 202054300 /nfs/dbraw/zinc/05/43/00/202054300.db2.gz XKZUYXZXSYKXMH-LJQANCHMSA-N 0 0 349.390 3.628 40 30 EHEBRN N#C[C@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1cccc2ccccc21 ZINC000020638026 202051514 /nfs/dbraw/zinc/05/15/14/202051514.db2.gz DAXIGOQJDYOASA-VQIMIIECSA-N 0 0 338.370 3.871 40 30 EHEBRN CSc1nc2n(n1)[C@H](c1ccc(C)cc1)C1C(=O)C[C@H](C)CC1=N2 ZINC000022608281 202088385 /nfs/dbraw/zinc/08/83/85/202088385.db2.gz GLPKGQKXWJPBEU-BDJLRTHQSA-N 0 0 340.452 3.576 40 30 EHEBRN CC(C)(C)OC(=O)N1CC[C@H](COc2ccc(C#N)c(Cl)c2)C1 ZINC000039954302 202165157 /nfs/dbraw/zinc/16/51/57/202165157.db2.gz QQXOEZNUGAWLRR-LBPRGKRZSA-N 0 0 336.819 3.847 40 30 EHEBRN CC=CC=CC(=O)[C@@H]1c2cccc(O)c2C(=O)c2c(O)cc(C)cc21 ZINC000031394082 202205414 /nfs/dbraw/zinc/20/54/14/202205414.db2.gz DTKWQCFDNRPDGR-OJGHLFLHSA-N 0 0 334.371 3.784 40 30 EHEBRN CC1=N/C(=C/c2ccc(/C=C3/N=C(C)SC3=O)cc2)C(=O)S1 ZINC000033474974 202263154 /nfs/dbraw/zinc/26/31/54/202263154.db2.gz SGSPXCCDDQHYDW-FNCQTZNRSA-N 0 0 328.418 3.752 40 30 EHEBRN C#CCOC(=O)/C=C/c1ccc(OCc2ccccc2C)c(OC)c1 ZINC000216891032 241218449 /nfs/dbraw/zinc/21/84/49/241218449.db2.gz NUQXSKWPRPICSA-ZRDIBKRKSA-N 0 0 336.387 3.772 40 30 EHEBRN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@H]2C#N)cc1 ZINC000218564978 241331570 /nfs/dbraw/zinc/33/15/70/241331570.db2.gz DQVARHGFUIUDEZ-QYZOEREBSA-N 0 0 325.433 3.637 40 30 EHEBRN N#Cc1c(N)nc(SC2CCCC2)nc1Cc1ccccc1F ZINC000223674937 241677698 /nfs/dbraw/zinc/67/76/98/241677698.db2.gz DWECKLUZGMDXJE-UHFFFAOYSA-N 0 0 328.416 3.695 40 30 EHEBRN N#CCc1ccc(NC(=S)NC2(c3cccnc3)CCCC2)cc1 ZINC000225853147 242062561 /nfs/dbraw/zinc/06/25/61/242062561.db2.gz VOYSOQHPRTWQER-UHFFFAOYSA-N 0 0 336.464 3.904 40 30 EHEBRN CCOC(=O)c1sc(OCc2ccccc2Cl)c(C#N)c1N ZINC000225850443 242063219 /nfs/dbraw/zinc/06/32/19/242063219.db2.gz BNINVEQIBKADGM-UHFFFAOYSA-N 0 0 336.800 3.611 40 30 EHEBRN COc1ccc(C2N=NC(=S)N2N=CC=Cc2ccccc2)cc1 ZINC000004680550 201610778 /nfs/dbraw/zinc/61/07/78/201610778.db2.gz JQFPLWBNBKWJKW-XHFQWSKPSA-N 0 0 336.420 3.790 40 30 EHEBRN COc1ccc(C=NNc2nc3ccccc3[nH]2)cc1Br ZINC000005396555 201649672 /nfs/dbraw/zinc/64/96/72/201649672.db2.gz KLXOQFCTZZHLCS-RQZCQDPDSA-N 0 0 345.200 3.780 40 30 EHEBRN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(O)=C(C=O)C[C@]34C)[C@@H]1CCC(=O)O2 ZINC000104356403 204106854 /nfs/dbraw/zinc/10/68/54/204106854.db2.gz IAEXPESVUCYINT-SVYSVUNWSA-N 0 0 332.440 3.946 40 30 EHEBRN N#Cc1ccc(-c2ccccc2)nc1SCc1cn2cccnc2n1 ZINC000016492912 211909128 /nfs/dbraw/zinc/90/91/28/211909128.db2.gz FNRZJPLHCWJGTH-UHFFFAOYSA-N 0 0 343.415 3.955 40 30 EHEBRN C=CCN(c1ccc(C)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225069485 205021613 /nfs/dbraw/zinc/02/16/13/205021613.db2.gz JDCRKEYOBICQQY-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN C=CCN(CC=C)C(=O)c1onc(-c2ccc(Cl)cc2)c1[C@H](C)O ZINC000225436948 205079778 /nfs/dbraw/zinc/07/97/78/205079778.db2.gz QVYNLUHLQFDNOZ-LBPRGKRZSA-N 0 0 346.814 3.863 40 30 biogenic,in-vitro EHEBRN O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1cccc(O)c1 ZINC000408748367 257889610 /nfs/dbraw/zinc/88/96/10/257889610.db2.gz CSKFWJVTVJGOJI-RIYZIHGNSA-N 0 0 330.796 3.937 40 30 EHEBRN C=CCOc1ccc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)cc1 ZINC000408713999 257891753 /nfs/dbraw/zinc/89/17/53/257891753.db2.gz GCSAUBUKBOCXQW-UHFFFAOYSA-N 0 0 349.390 3.574 40 30 EHEBRN CCn1c2ccccc2nc1NN=Cc1cc(Cl)c(O)c(OC)c1 ZINC000408692456 257893030 /nfs/dbraw/zinc/89/30/30/257893030.db2.gz MWYASQGWYWMWFT-VXLYETTFSA-N 0 0 344.802 3.870 40 30 EHEBRN C#CCOc1ccc(/C=N/OCc2ccccc2C#N)cc1OCC ZINC000408592111 257895239 /nfs/dbraw/zinc/89/52/39/257895239.db2.gz LAXQKYNZOKCJDQ-HYARGMPZSA-N 0 0 334.375 3.520 40 30 EHEBRN CCOc1c(OC)cc(C#N)cc1C(=O)Nc1cccc(Cl)c1 ZINC000408583688 257895684 /nfs/dbraw/zinc/89/56/84/257895684.db2.gz WPULTNCGONIHRG-UHFFFAOYSA-N 0 0 330.771 3.871 40 30 EHEBRN CC(C)(C)Nc1nc(Nc2ccccc2C#N)cc(-c2ccccn2)n1 ZINC000328958893 257910391 /nfs/dbraw/zinc/91/03/91/257910391.db2.gz AQKPDFMDFOISNN-UHFFFAOYSA-N 0 0 344.422 3.786 40 30 EHEBRN C=C(C)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C ZINC000253617443 258073434 /nfs/dbraw/zinc/07/34/34/258073434.db2.gz NJXQZDNABHJQBG-CUCLYRJJSA-N 0 0 344.495 3.796 40 30 EHEBRN CCc1cccc(CC)c1NC(=O)CO/N=C/c1ccccc1O ZINC000003209448 524068007 /nfs/dbraw/zinc/06/80/07/524068007.db2.gz WROZOLWVVUCXBG-UDWIEESQSA-N 0 0 326.396 3.506 40 30 EHEBRN O=[N+]([O-])c1ccc(NCCC/N=C/c2ccccc2O)c(Cl)c1 ZINC000016449025 527364505 /nfs/dbraw/zinc/36/45/05/527364505.db2.gz YKLGCRRUNKYYPA-WOJGMQOQSA-N 0 0 333.775 3.875 40 30 EHEBRN COc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)c(C#N)c1 ZINC000225798741 536754032 /nfs/dbraw/zinc/75/40/32/536754032.db2.gz RQEBZEWEWRYPNV-UHFFFAOYSA-N 0 0 332.444 3.983 40 30 EHEBRN C=CCn1c(CCCC)nnc1SCC(=O)N(C)c1ccccc1 ZINC000408560920 563477286 /nfs/dbraw/zinc/47/72/86/563477286.db2.gz RLKICMFCILUDQN-UHFFFAOYSA-N 0 0 344.484 3.562 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005167159 563521658 /nfs/dbraw/zinc/52/16/58/563521658.db2.gz PWCLWZOSAFOXFL-ADDDSGAWSA-N 0 0 330.468 3.694 40 30 EHEBRN CCCCC(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000006634976 563575416 /nfs/dbraw/zinc/57/54/16/563575416.db2.gz MPVRGRLFOPVBBN-JTQLQIEISA-N 0 0 335.498 3.748 40 30 EHEBRN COc1ccccc1CC=CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000006672651 563577797 /nfs/dbraw/zinc/57/77/97/563577797.db2.gz YIJOFBOKYKBABW-ZUCBPKHASA-N 0 0 342.311 3.623 40 30 EHEBRN Cc1ccccc1NN=C1c2cc(Br)ccc2NC1=O ZINC000007892089 563617281 /nfs/dbraw/zinc/61/72/81/563617281.db2.gz QFPLUCQEDLTPJD-UHFFFAOYSA-N 0 0 330.185 3.526 40 30 EHEBRN N#CCc1ccc(NC(=O)CSCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408726469 563625919 /nfs/dbraw/zinc/62/59/19/563625919.db2.gz MJTPNYHGTSMJSY-UHFFFAOYSA-N 0 0 341.392 3.533 40 30 EHEBRN COc1ccc(C2N=NC(=S)N2N=Cc2c[nH]c3ccccc23)cc1 ZINC000054382146 563932863 /nfs/dbraw/zinc/93/28/63/563932863.db2.gz XZSUQZONOBRLTG-JAIQZWGSSA-N 0 0 349.419 3.606 40 30 EHEBRN COc1ccc(/C=C2/CC[C@H]3[C@H](CCCC34OCCO4)C2=O)cc1 ZINC000061953019 563951427 /nfs/dbraw/zinc/95/14/27/563951427.db2.gz VTTUERHBIOYDLZ-DIKOQVDISA-N 0 0 328.408 3.601 40 30 EHEBRN CCOCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(C(C)C)cc1 ZINC000078550077 563970597 /nfs/dbraw/zinc/97/05/97/563970597.db2.gz QVIBSBLUZHNZGZ-GOSISDBHSA-N 0 0 345.439 3.521 40 30 EHEBRN CCOC(=O)c1c(NC(C)=O)sc(/C(C)=N\O)c1-c1ccccc1 ZINC000095845643 563977702 /nfs/dbraw/zinc/97/77/02/563977702.db2.gz IHTFNFQGKDTXIC-GRSHGNNSSA-N 0 0 346.408 3.748 40 30 EHEBRN C=CCNC(=O)c1ccc(OCC)c(COc2cccc(C)c2)c1 ZINC000224380942 563993852 /nfs/dbraw/zinc/99/38/52/563993852.db2.gz XXQLLZWAWUPYGZ-UHFFFAOYSA-N 0 0 325.408 3.889 40 30 EHEBRN C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000224921877 563995253 /nfs/dbraw/zinc/99/52/53/563995253.db2.gz ZMYUEQDZFWXECE-UHFFFAOYSA-N 0 0 335.400 3.606 40 30 EHEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1C ZINC000408799257 564007326 /nfs/dbraw/zinc/00/73/26/564007326.db2.gz YMMMKJCXCSEILZ-SFHVURJKSA-N 0 0 345.398 3.736 40 30 EHEBRN C=CCOc1ccc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc1OC ZINC000408842722 564007494 /nfs/dbraw/zinc/00/74/94/564007494.db2.gz AVPDGNXJSADDDJ-CEVXTBJXSA-N 0 0 346.452 3.572 40 30 EHEBRN CCOc1ccc(/C=C2\S/C(=N/C)N(C)C2=O)c2ccccc12 ZINC000408850396 564007604 /nfs/dbraw/zinc/00/76/04/564007604.db2.gz MWUAUJQQECRHHC-QOOZPXINSA-N 0 0 326.421 3.770 40 30 EHEBRN CC/N=C1\S/C(=C\c2cccc(OC)c2OC(C)C)C(=O)N1CC ZINC000408856031 564007695 /nfs/dbraw/zinc/00/76/95/564007695.db2.gz GZHVMVGMFCVVFP-WWZTWJSKSA-N 0 0 348.468 3.795 40 30 EHEBRN CCN(CC)c1ccc(C=[NH+][N-]c2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000408914949 564008032 /nfs/dbraw/zinc/00/80/32/564008032.db2.gz ZWNGITPKFUWEME-UYRXBGFRSA-N 0 0 342.399 3.896 40 30 EHEBRN Cn1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 ZINC000409040421 564009112 /nfs/dbraw/zinc/00/91/12/564009112.db2.gz IAGGPZMVTXVBOS-AERZKKPOSA-N 0 0 341.230 3.892 40 30 EHEBRN C=CCN1C(=O)N/C(=C/c2ccccc2OCc2ccc(C)cc2)C1=O ZINC000409134516 564010432 /nfs/dbraw/zinc/01/04/32/564010432.db2.gz UGHKOKBSOCBMRM-QGOAFFKASA-N 0 0 348.402 3.653 40 30 EHEBRN Cc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(N2CCOCC2)c(F)c1 ZINC000409139504 564010480 /nfs/dbraw/zinc/01/04/80/564010480.db2.gz APSZSABSIAKJRL-UDWIEESQSA-N 0 0 343.358 3.630 40 30 EHEBRN Cc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000014164934 564021559 /nfs/dbraw/zinc/02/15/59/564021559.db2.gz BUUZDCUFAUGVJR-XXFAHNHDSA-N 0 0 328.803 3.508 40 30 EHEBRN COc1ccc(CN/N=C(\C)c2cc(C)c(OC)c(C)c2)cc1OC ZINC000216058880 564033772 /nfs/dbraw/zinc/03/37/72/564033772.db2.gz OOUAFCLESSRHKO-PXLXIMEGSA-N 0 0 342.439 3.843 40 30 EHEBRN CCCCCCCCCCCCCCCC(=O)[C@@H](O)[C@H](O)CO ZINC000113364024 564065458 /nfs/dbraw/zinc/06/54/58/564065458.db2.gz JDDQUGLCHBTOIL-RTBURBONSA-N 0 0 330.509 3.751 40 30 EHEBRN C=CCOc1ccc(C(=O)N[C@@H](C)COc2ccc(C)cc2)cc1 ZINC000219642036 564084144 /nfs/dbraw/zinc/08/41/44/564084144.db2.gz FWHUFVBKLQMMCS-INIZCTEOSA-N 0 0 325.408 3.757 40 30 EHEBRN C=CCOc1cccc(NS(=O)(=O)c2ccc(SC)cc2)c1 ZINC000052410923 564128569 /nfs/dbraw/zinc/12/85/69/564128569.db2.gz UAULAESMAAKNJE-UHFFFAOYSA-N 0 0 335.450 3.774 40 30 EHEBRN COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000005128824 564129764 /nfs/dbraw/zinc/12/97/64/564129764.db2.gz ISPZPDBBXOCWKO-RMKNXTFCSA-N 0 0 343.335 3.517 40 30 EHEBRN C#CCOc1ccc(Br)cc1C=NNc1ccccc1 ZINC000005975441 564129770 /nfs/dbraw/zinc/12/97/70/564129770.db2.gz YQGQVWBVYARNIA-LDADJPATSA-N 0 0 329.197 3.907 40 30 EHEBRN Cc1ccc2nc(SCC(=O)N3CCC[C@@H](C)C3)c(C#N)cc2c1 ZINC000000422235 564133214 /nfs/dbraw/zinc/13/32/14/564133214.db2.gz YESGCRIHYOOEET-CQSZACIVSA-N 0 0 339.464 3.766 40 30 EHEBRN Cc1cc(/C=N\O)cc(C)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000256053471 564134761 /nfs/dbraw/zinc/13/47/61/564134761.db2.gz RORJFIXJFDPGIY-MFOYZWKCSA-N 0 0 339.800 3.533 40 30 EHEBRN CC(=O)Oc1ccc(NC(=O)C2(c3ccccc3)CCCC2)c(C#N)c1 ZINC000225676333 564146733 /nfs/dbraw/zinc/14/67/33/564146733.db2.gz PNLWGFROILCOSJ-UHFFFAOYSA-N 0 0 348.402 3.934 40 30 EHEBRN CCSc1nc2n(n1)[C@H](c1cccs1)C1C(=O)C[C@H](C)CC1=N2 ZINC000019959597 202028285 /nfs/dbraw/zinc/02/82/85/202028285.db2.gz BDBUBGRUZFQMFT-YMTOWFKASA-N 0 0 346.481 3.720 40 30 EHEBRN C=CCOC(=O)c1ccc(OC)c(-c2cc3ccccc3oc2=O)c1 ZINC000216936905 241225618 /nfs/dbraw/zinc/22/56/18/241225618.db2.gz NBFJGFDSQLNADH-UHFFFAOYSA-N 0 0 336.343 3.811 40 30 EHEBRN C=CCSc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000219806220 241411549 /nfs/dbraw/zinc/41/15/49/241411549.db2.gz FQTZJKVSOYRFSO-UHFFFAOYSA-N 0 0 327.405 3.623 40 30 EHEBRN CCCCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)cc1C#N ZINC000225836375 242056049 /nfs/dbraw/zinc/05/60/49/242056049.db2.gz NUIQOGFDRANMKT-IBGZPJMESA-N 0 0 330.428 3.881 40 30 EHEBRN N#Cc1c(N)n(Cc2ccccc2)nc1OCc1cccc(Cl)c1 ZINC000225838888 242058387 /nfs/dbraw/zinc/05/83/87/242058387.db2.gz VMWWTENOQSTAII-UHFFFAOYSA-N 0 0 338.798 3.618 40 30 EHEBRN N#Cc1c(N)n(Cc2ccccc2F)nc1Cc1ccccc1Cl ZINC000225841019 242059367 /nfs/dbraw/zinc/05/93/67/242059367.db2.gz JWXKVHOHNGRICY-UHFFFAOYSA-N 0 0 340.789 3.769 40 30 EHEBRN Cc1ccc(C)c(COc2nn(Cc3ccccc3C)c(N)c2C#N)c1 ZINC000225844554 242061123 /nfs/dbraw/zinc/06/11/23/242061123.db2.gz RHJHBFRLCZSPPF-UHFFFAOYSA-N 0 0 346.434 3.890 40 30 EHEBRN COc1ccc(NC(=O)[C@@](C)(C#N)c2ccc(Cl)cc2)cc1OC ZINC000225961024 242080885 /nfs/dbraw/zinc/08/08/85/242080885.db2.gz BHIAKGPPAKFFBH-SFHVURJKSA-N 0 0 344.798 3.777 40 30 EHEBRN Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(CC#N)cc1 ZINC000226094485 242089082 /nfs/dbraw/zinc/08/90/82/242089082.db2.gz DQRUWRROZBVFFI-UHFFFAOYSA-N 0 0 334.404 3.832 40 30 EHEBRN O=C(c1ccc(Cl)cc1)[C@@H](O)N=C(S)c1ccc(Cl)cc1 ZINC000006512277 201683394 /nfs/dbraw/zinc/68/33/94/201683394.db2.gz LLWWJZXKLWIDQM-CQSZACIVSA-N 0 0 340.231 3.871 40 30 EHEBRN COc1ccc([C@@H](C#N)NC23CC4CC(CC(C4)C2)C3)cc1OC ZINC000073257661 203261320 /nfs/dbraw/zinc/26/13/20/203261320.db2.gz HCPWOXIASSQVNR-SJFHUFEGSA-N 0 0 326.440 3.827 40 30 EHEBRN CC1=C2CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)C[C@@H](O)[C@@H]3[C@@]2(C)CCC1=O ZINC000118931591 204615731 /nfs/dbraw/zinc/61/57/31/204615731.db2.gz WGWIOQHCYQKREK-MYIINNADSA-N 0 0 332.484 3.630 40 30 EHEBRN C=CCOc1cccc(NC(=S)NC2(CCOC)CCCC2)c1 ZINC000225868751 205101614 /nfs/dbraw/zinc/10/16/14/205101614.db2.gz XWIOLBCSZDNMGD-UHFFFAOYSA-N 0 0 334.485 3.887 40 30 EHEBRN CN(C)N1C(=O)/C(=C/c2cccs2)S/C1=N/c1ccccc1 ZINC000100542995 206247892 /nfs/dbraw/zinc/24/78/92/206247892.db2.gz GHJXHJNHBZBGNB-UGCQAGLLSA-N 0 0 329.450 3.829 40 30 EHEBRN C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)NCCc1ccc(OC)c(OC)c1)C2 ZINC000004867001 210306305 /nfs/dbraw/zinc/30/63/05/210306305.db2.gz PFQQRUIYMVBOQW-KKSFZXQISA-N 0 0 343.467 3.745 40 30 EHEBRN Cc1cc(C=NN2C(=S)N=NC2C)c(C)n1-c1c(C)cccc1C ZINC000408869511 257887147 /nfs/dbraw/zinc/88/71/47/257887147.db2.gz SCNSAVMOZDRRLW-VXLYETTFSA-N 0 0 339.468 3.782 40 30 EHEBRN CSc1nncn1/N=C/c1cn(Cc2ccccc2)c2ccccc12 ZINC000408808963 257888359 /nfs/dbraw/zinc/88/83/59/257888359.db2.gz HDRBBTCLZQPDKN-SRZZPIQSSA-N 0 0 347.447 3.885 40 30 EHEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1C ZINC000408771716 257888744 /nfs/dbraw/zinc/88/87/44/257888744.db2.gz BMGPJAKVBGRNTB-YBEGLDIGSA-N 0 0 325.437 3.842 40 30 EHEBRN CCCOc1ccc(/C=N/NCc2ccccc2OC)cc1OC ZINC000020762934 257855710 /nfs/dbraw/zinc/85/57/10/257855710.db2.gz JQTHPLVKHZSRIT-DEDYPNTBSA-N 0 0 328.412 3.616 40 30 EHEBRN CCN(CC)c1ccc(CN=NC(=S)NCc2ccco2)cc1 ZINC000008684246 520882929 /nfs/dbraw/zinc/88/29/29/520882929.db2.gz VJUNLCDAPXNXGM-XDHOZWIPSA-N 0 0 330.457 3.535 40 30 EHEBRN COC1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCCCC1 ZINC000225805730 536544397 /nfs/dbraw/zinc/54/43/97/536544397.db2.gz HIPODZDKXGZDED-UHFFFAOYSA-N 0 0 330.428 3.881 40 30 EHEBRN CC/N=C1/S/C(=C/c2cccc(Br)c2)C(=O)N1CC ZINC000035041858 563390228 /nfs/dbraw/zinc/39/02/28/563390228.db2.gz MNYKBBWYMNPWIN-KDKDSYKCSA-N 0 0 339.258 3.761 40 30 EHEBRN COc1cc(C=NNc2nc3ccccc3s2)ccc1OCC#N ZINC000034889174 563363057 /nfs/dbraw/zinc/36/30/57/563363057.db2.gz MRKQBLMHPUMZCC-ODLFYWEKSA-N 0 0 338.392 3.653 40 30 EHEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1cccnc1 ZINC000408593547 563493646 /nfs/dbraw/zinc/49/36/46/563493646.db2.gz BEQVWDKPIBQGEK-FSJBWODESA-N 0 0 330.391 3.912 40 30 EHEBRN C[C@@H](CN1c2ccccc2Sc2ccccc21)OS(C)(=O)=O ZINC000005423427 563532392 /nfs/dbraw/zinc/53/23/92/563532392.db2.gz IJBBLIUQGAMVGF-LBPRGKRZSA-N 0 0 335.450 3.654 40 30 EHEBRN CCCCC[C@H](C/C=N/N(C)C)C(O)(C(F)(F)F)C(F)(F)F ZINC000005783384 563550029 /nfs/dbraw/zinc/55/00/29/563550029.db2.gz DUQTZXKXIYNAQS-KTMXNEEYSA-N 0 0 336.320 3.976 40 30 EHEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cccnc2)S1 ZINC000408737276 563638400 /nfs/dbraw/zinc/63/84/00/563638400.db2.gz BGNCWZYIXCTLEZ-ZSOIEALJSA-N 0 0 329.812 3.935 40 30 EHEBRN CCS[C@@H]1C=C(c2ccc(Br)cc2)OC(=O)[C@@H]1C#N ZINC000016693618 563820558 /nfs/dbraw/zinc/82/05/58/563820558.db2.gz AGSWPIANMQNOJV-DGCLKSJQSA-N 0 0 338.226 3.608 40 30 EHEBRN CC1=C/C(=N\c2cccc3c(/N=C4/C=C(C)C(=O)O4)cccc23)OC1=O ZINC000018204088 563851005 /nfs/dbraw/zinc/85/10/05/563851005.db2.gz ZAVKPEYNHNIRKS-QGFZOGOGSA-N 0 0 346.342 3.906 40 30 EHEBRN O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccccc1 ZINC000013914562 563925778 /nfs/dbraw/zinc/92/57/78/563925778.db2.gz DXMXGGCBJIMVIP-PXLXIMEGSA-N 0 0 325.371 3.946 40 30 EHEBRN CCCCCCCCSc1nc2c([nH]1)n(C)c(=S)n(C)c2=O ZINC000095871051 563977715 /nfs/dbraw/zinc/97/77/15/563977715.db2.gz WUJXDMHEUKWCEC-UHFFFAOYSA-N 0 0 340.518 3.782 40 30 EHEBRN CCOc1ccc(C(=O)Nc2sc(C)c(C)c2C#N)cc1[N+](=O)[O-] ZINC000014258573 563983808 /nfs/dbraw/zinc/98/38/08/563983808.db2.gz RCFSZWRSADNTJU-UHFFFAOYSA-N 0 0 345.380 3.796 40 30 EHEBRN CC/N=C1/Sc2nc3c(C)cc(C)cc3cc2CN1CCOC ZINC000004858692 564005405 /nfs/dbraw/zinc/00/54/05/564005405.db2.gz GCPRCOKJXGDXLR-VHEBQXMUSA-N 0 0 329.469 3.782 40 30 EHEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3OC)NC2=O)cc1 ZINC000004974014 564005704 /nfs/dbraw/zinc/00/57/04/564005704.db2.gz OMOAYYNGINEWQI-WJDWOHSUSA-N 0 0 340.404 3.595 40 30 EHEBRN C#CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000408813023 564007352 /nfs/dbraw/zinc/00/73/52/564007352.db2.gz CVAACNRRMQDCNS-LGMDPLHJSA-N 0 0 335.384 3.940 40 30 EHEBRN C=CCN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2C)C1=O ZINC000408962270 564008364 /nfs/dbraw/zinc/00/83/64/564008364.db2.gz XWPYBSHZFAUWDT-VBKFSLOCSA-N 0 0 328.437 3.818 40 30 EHEBRN CCN1c2ccccc2/C(=C/c2ccc(OCC#N)c(OC)c2)C1=O ZINC000409120674 564010334 /nfs/dbraw/zinc/01/03/34/564010334.db2.gz VIXNNEVRJOTSRJ-VBKFSLOCSA-N 0 0 334.375 3.505 40 30 EHEBRN CC(C)/N=C1\S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1C(C)C ZINC000409201008 564011011 /nfs/dbraw/zinc/01/10/11/564011011.db2.gz LESASYMXNFTEMJ-VRXAYQBPSA-N 0 0 332.425 3.504 40 30 EHEBRN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(O)cc1 ZINC000409405094 564012061 /nfs/dbraw/zinc/01/20/61/564012061.db2.gz SPRPCTDAERTWHA-UHFFFAOYSA-N 0 0 341.370 3.651 40 30 EHEBRN C=CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224710160 564043598 /nfs/dbraw/zinc/04/35/98/564043598.db2.gz PPFIHEQGUVZUGL-UHFFFAOYSA-N 0 0 346.839 3.787 40 30 EHEBRN CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000224984902 564044196 /nfs/dbraw/zinc/04/41/96/564044196.db2.gz TYSIKSNPPQOEPT-UHFFFAOYSA-N 0 0 346.477 3.690 40 30 EHEBRN C=CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2Cl)cc1 ZINC000058604199 564050371 /nfs/dbraw/zinc/05/03/71/564050371.db2.gz WGWCKHTXBGBWBT-UHFFFAOYSA-N 0 0 345.782 3.944 40 30 EHEBRN O=C1N/C(=N\Nc2ccccc2)S/C1=C\c1ccc(Cl)cc1 ZINC000059488404 564050833 /nfs/dbraw/zinc/05/08/33/564050833.db2.gz YFNXICADQDODNH-UVTDQMKNSA-N 0 0 329.812 3.927 40 30 EHEBRN Cc1cc(-c2ccco2)c(C#N)c(SCC(=O)C(F)(F)F)n1 ZINC000005798697 564052164 /nfs/dbraw/zinc/05/21/64/564052164.db2.gz JYDLVPUOKHRAGR-UHFFFAOYSA-N 0 0 326.299 3.745 40 30 EHEBRN C=CCNC(=S)Nc1cccc([C@H](C)OC(=O)NC(C)(C)C)c1 ZINC000006625521 564070820 /nfs/dbraw/zinc/07/08/20/564070820.db2.gz RHCDFEYQNFOXJM-LBPRGKRZSA-N 0 0 335.473 3.745 40 30 EHEBRN CCNc1nc(Nc2ccc(NC(C)=O)cc2)cc(-c2ccncc2)n1 ZINC000329044981 564071881 /nfs/dbraw/zinc/07/18/81/564071881.db2.gz SZPAHDDDXXLATA-UHFFFAOYSA-N 0 0 348.410 3.744 40 30 EHEBRN COC(=O)c1ccc(Cl)cc1NN=C1C(=O)C=Cc2ccccc21 ZINC000102949390 564086556 /nfs/dbraw/zinc/08/65/56/564086556.db2.gz VPTRMXXTGYGMMO-HEHNFIMWSA-N 0 0 340.766 3.539 40 30 EHEBRN Cc1ccc(S(=O)(=O)N2CC[C@@H](C#N)CCc3ccccc32)cc1 ZINC000521824658 564118025 /nfs/dbraw/zinc/11/80/25/564118025.db2.gz SPQVJSGVVHTXTQ-INIZCTEOSA-N 0 0 340.448 3.666 40 30 EHEBRN CCCN1c2ccccc2C(=NN=c2[nH]c3ccccc3s2)C1=O ZINC000006879416 564126205 /nfs/dbraw/zinc/12/62/05/564126205.db2.gz YQENOUKABVCRFU-CAPFRKAQSA-N 0 0 336.420 3.869 40 30 EHEBRN Cc1n[nH]c(=S)n1N=Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000041214108 564128499 /nfs/dbraw/zinc/12/84/99/564128499.db2.gz IFHSZLSLNRLOHN-VXLYETTFSA-N 0 0 342.399 3.849 40 30 EHEBRN CCCOc1ccccc1CN=NC(=S)NCc1ccccc1 ZINC000082372371 564128686 /nfs/dbraw/zinc/12/86/86/564128686.db2.gz JCQNEPOZUIPTHL-XSFVSMFZSA-N 0 0 327.453 3.885 40 30 EHEBRN S=C(N/N=C\c1ccc(Br)s1)Nc1ccccc1 ZINC000033318839 564129888 /nfs/dbraw/zinc/12/98/88/564129888.db2.gz ZGYLQQISGWAPIY-ZSOIEALJSA-N 0 0 340.271 3.831 40 30 EHEBRN Cc1cccc2cc(C#N)c(SCC(=O)NCc3ccccc3)nc12 ZINC000000421664 564133213 /nfs/dbraw/zinc/13/32/13/564133213.db2.gz LABSEGDJMZNBLT-UHFFFAOYSA-N 0 0 347.443 3.823 40 30 EHEBRN CCc1ccc(-n2nc(C#N)c(N3CC[C@@H](c4ccccc4)C3)n2)cc1 ZINC000256048322 564134724 /nfs/dbraw/zinc/13/47/24/564134724.db2.gz SEMXZDCIKXHXNJ-GOSISDBHSA-N 0 0 343.434 3.695 40 30 EHEBRN CC[C@H]1CCCCN1c1nn(-c2cccc(C(F)(F)F)c2)nc1C#N ZINC000256049027 564134727 /nfs/dbraw/zinc/13/47/27/564134727.db2.gz XUDBGIZQAZRIBV-ZDUSSCGKSA-N 0 0 349.360 3.927 40 30 EHEBRN Cc1nn(CCC#N)c(C)c1[C@@H]1C=C[C@@H](NC(=O)Nc2ccccc2)C1 ZINC000008636083 564166155 /nfs/dbraw/zinc/16/61/55/564166155.db2.gz SIQBCRROHGPSQT-SJLPKXTDSA-N 0 0 349.438 3.647 40 30 biogenic,in-vitro EHEBRN CCOC(=O)c1nn(-c2ccc(C)cc2)cc1/C=N\Cc1ccccc1 ZINC000071195267 564176368 /nfs/dbraw/zinc/17/63/68/564176368.db2.gz IMBWIXQXIREAHY-HMAPJEAMSA-N 0 0 347.418 3.977 40 30 EHEBRN O=C(N[C@H]1CCc2c[nH]nc2C1)C1(c2ccccc2F)CCCC1 ZINC000329879036 1024232172 /nfs/dbraw/zinc/23/21/72/1024232172.db2.gz LRLKRZHYKBNAST-AWEZNQCLSA-N 0 0 327.403 3.875 40 30 EHEBRN CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(O)cc2)S1 ZINC000006870633 201702646 /nfs/dbraw/zinc/70/26/46/201702646.db2.gz LMXDRLMENDGTMC-WJDWOHSUSA-N 0 0 340.404 3.683 40 30 EHEBRN Cc1ccc(N=C2NC(=Nc3ccc(C)cn3)c3ccccc32)nc1 ZINC000018057917 201992556 /nfs/dbraw/zinc/99/25/56/201992556.db2.gz DMMPCCQYDPXFGZ-UHFFFAOYSA-N 0 0 327.391 3.853 40 30 EHEBRN Cc1cccc(-n2nc(-c3ccc(C(F)(F)F)cc3)c(C#N)c2N)n1 ZINC000039955292 213246322 /nfs/dbraw/zinc/24/63/22/213246322.db2.gz YZKVUXDEKUMXCL-UHFFFAOYSA-N 0 0 343.312 3.715 40 30 EHEBRN N=C(Nc1cccc(C(F)(F)F)c1)c1cnn(-c2ccccc2)c1N ZINC000020799536 202055112 /nfs/dbraw/zinc/05/51/12/202055112.db2.gz SOETVJGIEUTISI-UHFFFAOYSA-N 0 0 345.328 3.510 40 30 EHEBRN CC(C)(C)OC(=O)N1CCC[C@H](Oc2ccc(C#N)c(Cl)c2)C1 ZINC000039954292 202165644 /nfs/dbraw/zinc/16/56/44/202165644.db2.gz SNTCWMMJIUCNGW-AWEZNQCLSA-N 0 0 336.819 3.990 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H]4OC[C@@]5(CCC(=O)C=C45)[C@H]3CC[C@]12C ZINC000030728994 202198613 /nfs/dbraw/zinc/19/86/13/202198613.db2.gz OPWRVUYZIIWQJW-WEEZVYGMSA-N 0 0 328.452 3.712 40 30 in-vitro EHEBRN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000030290795 212694406 /nfs/dbraw/zinc/69/44/06/212694406.db2.gz WEZBYBYCTZKHPL-UHFFFAOYSA-N 0 0 337.828 3.730 40 30 EHEBRN COc1cc2sc(N=C(SC)SC)nc2c([N+](=O)[O-])c1 ZINC000057352497 201139161 /nfs/dbraw/zinc/13/91/61/201139161.db2.gz NXMZWPDOMXPHLB-UHFFFAOYSA-N 0 0 329.428 3.927 40 30 EHEBRN C=CCOc1cccc(NC(=O)c2ccc(Br)c(N)c2)c1 ZINC000216875775 241218325 /nfs/dbraw/zinc/21/83/25/241218325.db2.gz UIBAPLGSMJBDIO-UHFFFAOYSA-N 0 0 347.212 3.848 40 30 EHEBRN CCCCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)c(C#N)c1 ZINC000225836660 242056070 /nfs/dbraw/zinc/05/60/70/242056070.db2.gz UYYGWYXZBZYUPF-IBGZPJMESA-N 0 0 330.428 3.881 40 30 EHEBRN N#Cc1c(N)n(Cc2ccc(F)cc2)nc1Cc1ccc(Cl)cc1 ZINC000225842602 242059307 /nfs/dbraw/zinc/05/93/07/242059307.db2.gz VSUGETJIZWTPRI-UHFFFAOYSA-N 0 0 340.789 3.769 40 30 EHEBRN N#Cc1cc(N)c(Sc2ccc(Cl)cc2)n1C[C@@H]1CCCO1 ZINC000225888903 242071357 /nfs/dbraw/zinc/07/13/57/242071357.db2.gz QKKYXICRQKJMFS-ZDUSSCGKSA-N 0 0 333.844 3.926 40 30 EHEBRN COC(=O)c1ccc(Oc2c(N)cc(C#N)n2Cc2ccccc2)cc1 ZINC000225887347 242072324 /nfs/dbraw/zinc/07/23/24/242072324.db2.gz HSPLWWIZNJSWPP-UHFFFAOYSA-N 0 0 347.374 3.569 40 30 EHEBRN COc1ccc(/C=C2/S/C(=N/c3ccccc3OC)NC2=O)cc1 ZINC000006136557 201674567 /nfs/dbraw/zinc/67/45/67/201674567.db2.gz OMOAYYNGINEWQI-LFIBNONCSA-N 0 0 340.404 3.595 40 30 EHEBRN O[C@H](Nc1ccc(OC(F)(F)F)c(C(F)(F)F)c1)C(F)(F)F ZINC000103638973 204084496 /nfs/dbraw/zinc/08/44/96/204084496.db2.gz VGCASKFJGXJFIY-ZETCQYMHSA-N 0 0 343.145 3.897 40 30 EHEBRN COc1cc(Cl)cc(/N=C/c2ccc(N3CCOCC3)cc2)c1O ZINC000000359097 205437240 /nfs/dbraw/zinc/43/72/40/205437240.db2.gz MCAGAFPJSYHXBM-UDWIEESQSA-N 0 0 346.814 3.641 40 30 EHEBRN COc1cccc(/C=N/NC(=S)Nc2ccc(C)cc2C)c1OC ZINC000006415160 205808017 /nfs/dbraw/zinc/80/80/17/205808017.db2.gz JTZDGSQVRHQBSU-YBFXNURJSA-N 0 0 343.452 3.641 40 30 EHEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCC#N)S2)cc1 ZINC000408807602 257888420 /nfs/dbraw/zinc/88/84/20/257888420.db2.gz CVBYOPIHBIIDOX-ATVHPVEESA-N 0 0 349.415 3.789 40 30 EHEBRN C=CCSc1nnc(NC(=O)CSCc2ccccc2)s1 ZINC000016008322 519086887 /nfs/dbraw/zinc/08/68/87/519086887.db2.gz CNISRWZIMSLMHW-UHFFFAOYSA-N 0 0 337.495 3.688 40 30 EHEBRN C=CCn1c(SCc2ccc(F)cc2)nnc1-c1cnn(CC)c1 ZINC000036631373 519239959 /nfs/dbraw/zinc/23/99/59/519239959.db2.gz XENWUUAJDSJZGQ-UHFFFAOYSA-N 0 0 343.431 3.779 40 30 EHEBRN C=CCn1cc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)c(C)n1 ZINC000013994019 519278099 /nfs/dbraw/zinc/27/80/99/519278099.db2.gz YIVGJLBTMQZTQJ-HXUWFJFHSA-N 0 0 343.446 3.698 40 30 EHEBRN CCOC(=O)c1c(/N=C/N(C)C)sc(C=O)c1-c1ccccc1 ZINC000018140379 521375919 /nfs/dbraw/zinc/37/59/19/521375919.db2.gz YUJCMNBZKNWCFD-WOJGMQOQSA-N 0 0 330.409 3.626 40 30 EHEBRN CC(/C=C/C(=O)c1sc(C(N)=S)nc1C)=C\c1ccccc1 ZINC000001628548 563397784 /nfs/dbraw/zinc/39/77/84/563397784.db2.gz RIQRSGPVNJSTAO-BNFZFUHLSA-N 0 0 328.462 3.928 40 30 EHEBRN CCOC(=O)c1c(/N=C/c2ccc([N+](=O)[O-])o2)sc2c1CCC2 ZINC000003110678 563472535 /nfs/dbraw/zinc/47/25/35/563472535.db2.gz PCDHCJDGPZOTMA-LZYBPNLTSA-N 0 0 334.353 3.665 40 30 EHEBRN CC1=C2C3=C(C(=O)CC(C)(C)C3)[C@H](c3ccc(Cl)cc3)N[C@H]2NN1 ZINC000035193867 563499398 /nfs/dbraw/zinc/49/93/98/563499398.db2.gz GOBFNXFQYFKPEV-NJAFHUGGSA-N 0 0 343.858 3.591 40 30 EHEBRN C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C ZINC000004887121 563514628 /nfs/dbraw/zinc/51/46/28/563514628.db2.gz RNDKPONEBPMNRB-YRYAGHSFSA-N 0 0 346.511 3.732 40 30 EHEBRN Clc1ccc(/C=N\N2CCN(c3ccccn3)CC2)cc1Cl ZINC000005033239 563519436 /nfs/dbraw/zinc/51/94/36/563519436.db2.gz NLVGLOALQAMWFW-NDENLUEZSA-N 0 0 335.238 3.545 40 30 EHEBRN COc1cc(/C=N/NC(C)=S)ccc1OCc1ccc(F)cc1 ZINC000005632318 563543350 /nfs/dbraw/zinc/54/33/50/563543350.db2.gz ZGURPNXFEAVZIP-VXLYETTFSA-N 0 0 332.400 3.684 40 30 EHEBRN CCN(CC)c1ccc(C=[NH+][N-]c2nnc(SC(C)C)[nH]2)cc1 ZINC000005927760 563554192 /nfs/dbraw/zinc/55/41/92/563554192.db2.gz WDLNIASYNJEDRN-GZTJUZNOSA-N 0 0 332.477 3.597 40 30 EHEBRN Cc1ccc(N=Cc2ccc(Sc3nc[nH]n3)c([N+](=O)[O-])c2)cc1 ZINC000005968184 563556235 /nfs/dbraw/zinc/55/62/35/563556235.db2.gz JSHDNSPLAMUKPM-RQZCQDPDSA-N 0 0 339.380 3.923 40 30 EHEBRN COc1ccc([C@@H]2NC(=O)N(c3ccccc3)C(C)=C2C(C)=O)cc1 ZINC000408732268 563634707 /nfs/dbraw/zinc/63/47/07/563634707.db2.gz SZKHWUYVSWSOFV-IBGZPJMESA-N 0 0 336.391 3.829 40 30 EHEBRN COc1ccccc1/C=N\N1CCN(Cc2ccccc2Cl)CC1 ZINC000013114005 563688432 /nfs/dbraw/zinc/68/84/32/563688432.db2.gz XTUYRHZGUBVRJJ-STZFKDTASA-N 0 0 343.858 3.500 40 30 EHEBRN CC(C)C(/C=C/c1ccccc1)=N\NS(=O)(=O)c1ccccc1 ZINC000016952278 563826842 /nfs/dbraw/zinc/82/68/42/563826842.db2.gz LVUFYTGJAGZJRO-YMLWMGJQSA-N 0 0 328.437 3.690 40 30 EHEBRN Cc1ccc(S(=O)(=O)N/N=C2\C=C[C@@]3(CC=CCC3)CC2)cc1 ZINC000017105618 563836358 /nfs/dbraw/zinc/83/63/58/563836358.db2.gz DCCIVMNOLZRSIS-BDBAMQCISA-N 0 0 330.453 3.706 40 30 EHEBRN CCOC(=O)[C@@H](C#N)[C@H](c1ccc(OC)cc1)[C@H]1CCOC(C)(C)C1 ZINC000100698712 563982715 /nfs/dbraw/zinc/98/27/15/563982715.db2.gz ZKJYSYRVQLSDGW-RYQLBKOJSA-N 0 0 345.439 3.687 40 30 EHEBRN C=CCN(c1cc(C)ccc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000224997051 563995390 /nfs/dbraw/zinc/99/53/90/563995390.db2.gz IYOVRRXGUOCEPR-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN C=CCNC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 ZINC000225830682 563995975 /nfs/dbraw/zinc/99/59/75/563995975.db2.gz YBQQJJADIRGFMN-UHFFFAOYSA-N 0 0 333.391 3.638 40 30 EHEBRN CC[C@@H](C)Oc1ccc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1OC ZINC000408913885 564007996 /nfs/dbraw/zinc/00/79/96/564007996.db2.gz VWEOEUOIJSFCOU-FGHSJCFPSA-N 0 0 344.371 3.622 40 30 EHEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(-c3cccc(F)c3)o2)nc1 ZINC000409017231 564008998 /nfs/dbraw/zinc/00/89/98/564008998.db2.gz FHXBQFWZNRMFTQ-VXLYETTFSA-N 0 0 326.287 3.835 40 30 EHEBRN C=CCN1C(=O)/C(=C/c2c(O)ccc3ccccc32)SC1=S ZINC000003030879 564013521 /nfs/dbraw/zinc/01/35/21/564013521.db2.gz OFXWZTQOPHLTRM-GDNBJRDFSA-N 0 0 327.430 3.933 40 30 EHEBRN N#Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000005769908 564033130 /nfs/dbraw/zinc/03/31/30/564033130.db2.gz KNGIPNHFQALCFD-UHFFFAOYSA-N 0 0 327.192 3.666 40 30 EHEBRN C=CCN1C(=O)/C(=C\c2ccc(OCCC)c(OC)c2)SC1=S ZINC000059232971 564050556 /nfs/dbraw/zinc/05/05/56/564050556.db2.gz XYKLLVULOYMPLT-RVDMUPIBSA-N 0 0 349.477 3.871 40 30 EHEBRN C=CCOc1ccc(C(=O)N[C@H](C)COc2ccccc2C)cc1 ZINC000065722073 564066936 /nfs/dbraw/zinc/06/69/36/564066936.db2.gz DZAOUNGGLFTPLU-MRXNPFEDSA-N 0 0 325.408 3.757 40 30 EHEBRN C=C(C)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000005746273 564070644 /nfs/dbraw/zinc/07/06/44/564070644.db2.gz KFIMKSRWHTXSME-UHFFFAOYSA-N 0 0 346.408 3.675 40 30 EHEBRN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1F ZINC000021597999 564077549 /nfs/dbraw/zinc/07/75/49/564077549.db2.gz HUGVNFIKWBTELM-UHFFFAOYSA-N 0 0 332.762 3.647 40 30 EHEBRN C=CCOc1ccc(NC(=O)[C@H](C)Oc2cccc(OC)c2)cc1 ZINC000030851031 564079316 /nfs/dbraw/zinc/07/93/16/564079316.db2.gz CTVCCLMXWILCBN-AWEZNQCLSA-N 0 0 327.380 3.666 40 30 EHEBRN C=CCOc1ccc(C(=O)NCCOc2ccc(C)cc2C)cc1 ZINC000032414681 564079334 /nfs/dbraw/zinc/07/93/34/564079334.db2.gz QQPQTWSHNVISBI-UHFFFAOYSA-N 0 0 325.408 3.677 40 30 EHEBRN C[C@@H]1CCc2c(C#N)c(N)c(C#N)c(-c3ccc(N(C)C)cc3)c2C1 ZINC000016609369 564090647 /nfs/dbraw/zinc/09/06/47/564090647.db2.gz ATYYSTLDZVCLJQ-CYBMUJFWSA-N 0 0 330.435 3.870 40 30 EHEBRN CC(C)c1ccc(/C=N/c2cccc(N(C)S(C)(=O)=O)c2)cc1 ZINC000019855669 564128088 /nfs/dbraw/zinc/12/80/88/564128088.db2.gz ONBGDPFUJTXZOT-CPNJWEJPSA-N 0 0 330.453 3.956 40 30 EHEBRN COc1cc(/C=C/C(=O)c2ccc(C)cc2)c([N+](=O)[O-])cc1OC ZINC000005128016 564129754 /nfs/dbraw/zinc/12/97/54/564129754.db2.gz LNOBIFTVESTTFE-CMDGGOBGSA-N 0 0 327.336 3.817 40 30 EHEBRN CC(C)OC(=O)COc1ccc(/C=N\OCc2ccccc2)cc1 ZINC000033620809 564129880 /nfs/dbraw/zinc/12/98/80/564129880.db2.gz ZOTXUZVQNHZNTC-NDENLUEZSA-N 0 0 327.380 3.568 40 30 EHEBRN CCOc1cc(-c2c(C#N)c(N)ncc2-c2ccccc2)ccc1O ZINC000408979638 564133686 /nfs/dbraw/zinc/13/36/86/564133686.db2.gz NNSYSHRMCHYDTO-UHFFFAOYSA-N 0 0 331.375 3.804 40 30 EHEBRN CN(c1nn(-c2ccccc2C(F)(F)F)nc1C#N)C1CCCCC1 ZINC000256046776 564134682 /nfs/dbraw/zinc/13/46/82/564134682.db2.gz IADWCHSMRMKTHD-UHFFFAOYSA-N 0 0 349.360 3.927 40 30 EHEBRN C[C@@H]1CCCN(c2c(N)cc(C#N)n2Cc2ccccc2Cl)C1 ZINC000225866090 564150851 /nfs/dbraw/zinc/15/08/51/564150851.db2.gz QBRWLPVYBGLWGN-CYBMUJFWSA-N 0 0 328.847 3.880 40 30 EHEBRN C[C@@H]1C[C@@H](C)CN(c2c(N)cc(C#N)n2Cc2cccc(F)c2)C1 ZINC000225868086 564150864 /nfs/dbraw/zinc/15/08/64/564150864.db2.gz BMASLHQGRFAARQ-ZIAGYGMSSA-N 0 0 326.419 3.612 40 30 EHEBRN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C[C@H](O)[C@@]4(C)[C@@H]3CC[C@]12C ZINC000056958840 564153179 /nfs/dbraw/zinc/15/31/79/564153179.db2.gz AARNXMRADQFOEB-WZGFBNHNSA-N 0 0 330.468 3.694 40 30 EHEBRN N#Cc1ccc(/C=C2/SC(=O)N(CNc3ccccc3)C2=O)cc1 ZINC000059457327 564161281 /nfs/dbraw/zinc/16/12/81/564161281.db2.gz PWMOGHUNZWMQLK-MHWRWJLKSA-N 0 0 335.388 3.664 40 30 EHEBRN Fc1ccc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000019771342 202020017 /nfs/dbraw/zinc/02/00/17/202020017.db2.gz AJSRKARIJFFVLH-BKUYFWCQSA-N 0 0 331.822 3.631 40 30 EHEBRN CSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C1C(=O)C[C@H](C)CC1=N2 ZINC000022608283 202088727 /nfs/dbraw/zinc/08/87/27/202088727.db2.gz GLPKGQKXWJPBEU-BZNIZROVSA-N 0 0 340.452 3.576 40 30 EHEBRN O=C(C1=C(O)C(=O)N[C@H]1c1cccc2ccccc21)c1ccc(F)cc1 ZINC000027985699 202162203 /nfs/dbraw/zinc/16/22/03/202162203.db2.gz NDIQRZRRNDNIKT-SFHVURJKSA-N 0 0 347.345 3.845 40 30 EHEBRN C#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@]4(Cl)CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000256073500 201189678 /nfs/dbraw/zinc/18/96/78/201189678.db2.gz LUASCMMEHVJZGP-SXJNSPEGSA-N 0 0 334.887 3.934 40 30 EHEBRN C#CCOC(=O)/C=C/c1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000216891271 241217597 /nfs/dbraw/zinc/21/75/97/241217597.db2.gz IHUALBXAQVNXQR-ZRDIBKRKSA-N 0 0 336.387 3.772 40 30 EHEBRN CCc1ccc2nc(SCC(=O)N[C@H](C)CC)c(C#N)cc2c1 ZINC000000416738 201469873 /nfs/dbraw/zinc/46/98/73/201469873.db2.gz FAPULJDKFYOZBF-GFCCVEGCSA-N 0 0 327.453 3.676 40 30 EHEBRN N#CC1(c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000222985720 241586475 /nfs/dbraw/zinc/58/64/75/241586475.db2.gz PTBWYZINRQVDIM-UHFFFAOYSA-N 0 0 332.812 3.696 40 30 EHEBRN CCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)c(C#N)c1 ZINC000225809177 242046443 /nfs/dbraw/zinc/04/64/43/242046443.db2.gz QBERSZFHWQPQDU-LIRRHRJNSA-N 0 0 330.428 3.881 40 30 EHEBRN Cc1cccc(Cc2nn(Cc3ccccc3Cl)c(N)c2C#N)c1 ZINC000225839429 242058452 /nfs/dbraw/zinc/05/84/52/242058452.db2.gz BINSSFMAMACYHD-UHFFFAOYSA-N 0 0 336.826 3.938 40 30 EHEBRN Cc1ccccc1Cn1nc(Cc2ccc(Cl)cc2)c(C#N)c1N ZINC000225844192 242061508 /nfs/dbraw/zinc/06/15/08/242061508.db2.gz BCAXMHIYAFQMCJ-UHFFFAOYSA-N 0 0 336.826 3.938 40 30 EHEBRN N#CC1(c2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CC3)cc2)CC1 ZINC000225990072 242084411 /nfs/dbraw/zinc/08/44/11/242084411.db2.gz DXXUVTUCJQBNCC-UHFFFAOYSA-N 0 0 347.374 3.820 40 30 EHEBRN CC(C)(C)c1cc(OC[C@H]2CO2)c(C(C)(C)C)cc1OC[C@H]1CO1 ZINC000001688134 201517358 /nfs/dbraw/zinc/51/73/58/201517358.db2.gz IMJWYODDPLPNHC-ZIAGYGMSSA-N 0 0 334.456 3.837 40 30 EHEBRN CCOC(=O)/C(=C\c1cccc(C#N)c1)P(=O)(OCC)OCC ZINC000005723012 201660962 /nfs/dbraw/zinc/66/09/62/201660962.db2.gz URGDBDXCGVUMFR-RVDMUPIBSA-N 0 0 337.312 3.728 40 30 EHEBRN COc1cc(-c2cc(-c3ccc(F)cc3)nc(N)c2C#N)ccc1O ZINC000019550105 212041179 /nfs/dbraw/zinc/04/11/79/212041179.db2.gz NLLABBHPAJMITB-UHFFFAOYSA-N 0 0 335.338 3.723 40 30 EHEBRN C=CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225026085 205005592 /nfs/dbraw/zinc/00/55/92/205005592.db2.gz NOVNSDJRACPOOS-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN C=CCN(c1ccccc1CC)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225096704 205026783 /nfs/dbraw/zinc/02/67/83/205026783.db2.gz LQGWCACYLPZLMV-UHFFFAOYSA-N 0 0 349.427 3.778 40 30 EHEBRN Cc1ccc2cc(C#N)c(SCC(=O)N3CCCCCC3)nc2c1 ZINC000000412214 205449671 /nfs/dbraw/zinc/44/96/71/205449671.db2.gz BUNJXYBHBHOGMA-UHFFFAOYSA-N 0 0 339.464 3.910 40 30 EHEBRN COC(=O)COc1ccc(/C=N\c2ccc(Br)cc2)cc1 ZINC000100284332 206220618 /nfs/dbraw/zinc/22/06/18/206220618.db2.gz OBMFYJMUHGVNIO-ZDLGFXPLSA-N 0 0 348.196 3.752 40 30 EHEBRN N#C[C@@H]1[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000225668263 257684875 /nfs/dbraw/zinc/68/48/75/257684875.db2.gz BXSOYSQGXKOYBI-OWCLPIDISA-N 0 0 335.787 3.559 40 30 EHEBRN C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(CC)cc3)c2C)C1=O ZINC000409137674 257877307 /nfs/dbraw/zinc/87/73/07/257877307.db2.gz XVXSRZYARWSPGF-CPNJWEJPSA-N 0 0 349.434 3.735 40 30 EHEBRN N#Cc1sc(=S)n(-c2ccccc2)c1NC(=O)C(F)(F)F ZINC000408719433 257891038 /nfs/dbraw/zinc/89/10/38/257891038.db2.gz DLZQKHGLBLAGLX-UHFFFAOYSA-N 0 0 329.328 3.641 40 30 EHEBRN CC[C@H](C)Oc1ccccc1/C=N/NC(=S)NCc1ccccc1 ZINC000408604651 257894117 /nfs/dbraw/zinc/89/41/17/257894117.db2.gz VYAGMLGVGMPAGY-HBBMIWKISA-N 0 0 341.480 3.862 40 30 EHEBRN C=CCn1c(SCc2cccc(C)c2)nnc1-c1cnn(CC)c1 ZINC000036631375 519241422 /nfs/dbraw/zinc/24/14/22/519241422.db2.gz XYNOHBIWXFZGRV-UHFFFAOYSA-N 0 0 339.468 3.948 40 30 EHEBRN CCN(CC)c1ccc(C=[NH+][N-]c2nncc3ccccc32)c(O)c1 ZINC000006287671 520882548 /nfs/dbraw/zinc/88/25/48/520882548.db2.gz JZGOVBKOTYPSCT-FYJGNVAPSA-N 0 0 335.411 3.628 40 30 EHEBRN CCCOc1ccc(NC(=O)[C@@](C)(OCCC)C2CC2)c(C#N)c1 ZINC000225858533 535274765 /nfs/dbraw/zinc/27/47/65/535274765.db2.gz RMENINUHUWADBP-IBGZPJMESA-N 0 0 330.428 3.881 40 30 EHEBRN O=C1c2cccc(Cl)c2C/C1=C/N1CCN(c2ccccc2)CC1 ZINC000001562748 563392084 /nfs/dbraw/zinc/39/20/84/563392084.db2.gz LMQPEFFOPZAEAT-PFONDFGASA-N 0 0 338.838 3.785 40 30 EHEBRN NOC(=O)[C@@H]1[C@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 ZINC000001707150 563405648 /nfs/dbraw/zinc/40/56/48/563405648.db2.gz UYOXWYCIAHPBLL-PMACEKPBSA-N 0 0 329.399 3.803 40 30 EHEBRN CCCCCCCCCNC(=O)C(=O)NCc1ccc(OCC)cc1 ZINC000408707839 563594632 /nfs/dbraw/zinc/59/46/32/563594632.db2.gz RFXRYNGMLHFTBK-UHFFFAOYSA-N 0 0 348.487 3.568 40 30 EHEBRN C[C@H]1S/C(=N/N=C\c2ccco2)N(c2ccc(Cl)cc2)C1=O ZINC000009189569 563642704 /nfs/dbraw/zinc/64/27/04/563642704.db2.gz URYRQHGVPAQERO-WLDGERTMSA-N 0 0 333.800 3.791 40 30 EHEBRN FC(F)(F)O[C@](F)(/C=C/I)C(F)(F)F ZINC000016125613 563804052 /nfs/dbraw/zinc/80/40/52/563804052.db2.gz NSLKTPQPESHEBK-SFQFIYLQSA-N 0 0 337.960 3.700 40 30 EHEBRN CCOc1ccccc1/C=N\NC(=S)N[C@H]1CCc2ccccc21 ZINC000016919363 563825655 /nfs/dbraw/zinc/82/56/55/563825655.db2.gz MPAQAUIVFJYIHO-IZQLPPHKSA-N 0 0 339.464 3.571 40 30 EHEBRN N#Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1Br ZINC000037131453 563974933 /nfs/dbraw/zinc/97/49/33/563974933.db2.gz AOFPMKILODBUFK-UHFFFAOYSA-N 0 0 332.157 3.841 40 30 EHEBRN FC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)Br ZINC000095676614 563977626 /nfs/dbraw/zinc/97/76/26/563977626.db2.gz GCVSMPDTTNOVDZ-UHFFFAOYSA-N 0 0 330.928 3.670 40 30 EHEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C(C)(C)C(=O)/C(=N/O)C[C@@]43C)[C@@H]1CC[C@H]2O ZINC000118934616 563992519 /nfs/dbraw/zinc/99/25/19/563992519.db2.gz ZGGIESAIKVBIDO-JHWAMHHHSA-N 0 0 345.483 3.955 40 30 EHEBRN C=CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(OC)cc1 ZINC000224847740 563995014 /nfs/dbraw/zinc/99/50/14/563995014.db2.gz DOTHSVZGUIJJEA-UHFFFAOYSA-N 0 0 331.437 3.693 40 30 EHEBRN CCOc1ccc(OCC)c(/C=C2\C(=O)ON=C2c2ccccc2)c1 ZINC000000138012 563996125 /nfs/dbraw/zinc/99/61/25/563996125.db2.gz OIZAMUNSIRXIMX-LGMDPLHJSA-N 0 0 337.375 3.829 40 30 EHEBRN COc1ccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1 ZINC000000780219 563997994 /nfs/dbraw/zinc/99/79/94/563997994.db2.gz NLMZYAMEAYYCJD-UHFFFAOYSA-N 0 0 337.419 3.738 40 30 EHEBRN O=C1CCCC2=C1C(c1cc(Cl)ccc1O)C1=C(CCCC1=O)N2 ZINC000409032807 564009072 /nfs/dbraw/zinc/00/90/72/564009072.db2.gz DMJJUXQJMNSBNV-UHFFFAOYSA-N 0 0 343.810 3.747 40 30 EHEBRN C=CCc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OC)c1OC ZINC000409080297 564009538 /nfs/dbraw/zinc/00/95/38/564009538.db2.gz MVKMDONHAPXUAK-ATVHPVEESA-N 0 0 349.386 3.777 40 30 EHEBRN CCN1c2ccccc2/C(=N\c2sc3c(c2C#N)CCCC3)C1=O ZINC000409144507 564010532 /nfs/dbraw/zinc/01/05/32/564010532.db2.gz KJPSTSLUWVXFJM-HEHNFIMWSA-N 0 0 335.432 3.986 40 30 EHEBRN COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1cccc(C)c1 ZINC000409200928 564011023 /nfs/dbraw/zinc/01/10/23/564011023.db2.gz UDLKBIVVNJFTLE-ITEXZYEPSA-N 0 0 325.364 3.736 40 30 EHEBRN Cc1nc2n(n1)[C@@H](c1ccc(C(C)C)cc1)C1C(=O)C[C@H](C)CC1=N2 ZINC000014608132 564023610 /nfs/dbraw/zinc/02/36/10/564023610.db2.gz YYFJVKKCRZJLSQ-BLVKFPJESA-N 0 0 336.439 3.978 40 30 EHEBRN N#CCc1ccc(NC(=S)NCCSCc2ccco2)cc1 ZINC000225347584 564046086 /nfs/dbraw/zinc/04/60/86/564046086.db2.gz BEWLKLOYBSVNQK-UHFFFAOYSA-N 0 0 331.466 3.565 40 30 EHEBRN O=C1N/C(=N/N=C/c2ccccc2Cl)S[C@@H]1c1ccccc1 ZINC000059488417 564050819 /nfs/dbraw/zinc/05/08/19/564050819.db2.gz ARLNJOFGYWSEPM-YFEUJDIGSA-N 0 0 329.812 3.634 40 30 EHEBRN C/C(=N/O)C1=CC[C@@H]2[C@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3CC[C@]12C ZINC000245241084 564052386 /nfs/dbraw/zinc/05/23/86/564052386.db2.gz XETDBTMQGVJJOY-GIXMYHIQSA-N 0 0 345.483 3.667 40 30 EHEBRN C=CCN1C(=O)CCC[C@]12CCCN(C(=O)Nc1cccc(C)c1)C2 ZINC000096229942 564066537 /nfs/dbraw/zinc/06/65/37/564066537.db2.gz QGINRMMKIBEPSX-HXUWFJFHSA-N 0 0 341.455 3.560 40 30 EHEBRN C=CCc1cc(/C=C2/SC(=S)N(CCC)C2=O)cc(OC)c1O ZINC000006655456 564070804 /nfs/dbraw/zinc/07/08/04/564070804.db2.gz DYOKPXFDVFVLIQ-GXDHUFHOSA-N 0 0 349.477 3.741 40 30 EHEBRN Cc1cc(C)c2cc(C#N)c(NCCNC(=O)c3ccccc3)nc2c1 ZINC000035291225 564079034 /nfs/dbraw/zinc/07/90/34/564079034.db2.gz KSGJIDGCGBRSGU-UHFFFAOYSA-N 0 0 344.418 3.565 40 30 EHEBRN N#Cc1c(N)nc(SCc2ccccc2)nc1Cc1ccccc1 ZINC000223664320 564081726 /nfs/dbraw/zinc/08/17/26/564081726.db2.gz AYHBIPYIVGLSOQ-UHFFFAOYSA-N 0 0 332.432 3.814 40 30 EHEBRN Cc1cccc2cc(C#N)c(NCCNC(=O)Nc3ccccc3)nc12 ZINC000006234531 564083120 /nfs/dbraw/zinc/08/31/20/564083120.db2.gz SDSXIYLDOAERNA-UHFFFAOYSA-N 0 0 345.406 3.649 40 30 EHEBRN Cc1ccc2cc(C#N)c(SCC(=O)N3CCCCC3)nc2c1C ZINC000000413495 564133179 /nfs/dbraw/zinc/13/31/79/564133179.db2.gz HRQBOBYEHZHYRP-UHFFFAOYSA-N 0 0 339.464 3.828 40 30 EHEBRN COc1ccc2nc(SCC(=O)Nc3ccccc3)c(C#N)cc2c1 ZINC000000422027 564133229 /nfs/dbraw/zinc/13/32/29/564133229.db2.gz FLDCPXSSAYTLSY-UHFFFAOYSA-N 0 0 349.415 3.846 40 30 EHEBRN N#Cc1ccc(COC(=O)c2ccc(-c3ccc(C=O)o3)cc2)cc1 ZINC000409177150 564133718 /nfs/dbraw/zinc/13/37/18/564133718.db2.gz CCAAKIVIUDYAHS-UHFFFAOYSA-N 0 0 331.327 3.988 40 30 EHEBRN C#CCOc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1OCC ZINC000005128381 1037528785 /nfs/dbraw/zinc/52/87/85/1037528785.db2.gz VPPKWJCTLDBZKZ-UHFFFAOYSA-N 0 0 332.355 3.560 40 30 EHEBRN Cc1ccc(/C=N/N2C(=O)CN(C(C)C)[C@H]2c2ccc(C)cc2)cc1 ZINC000055190353 214285553 /nfs/dbraw/zinc/28/55/53/214285553.db2.gz RWMRMHCJOHRTBF-XWRADEMYSA-N 0 0 335.451 3.889 40 30 EHEBRN Cc1ccc(/N=C2\SC[C@@H](C)N2C(=O)C2CCOCC2)c(C)c1 ZINC000102913214 219240578 /nfs/dbraw/zinc/24/05/78/219240578.db2.gz DKULIHMOJFWAAD-ORIGZDJFSA-N 0 0 332.469 3.681 40 30 EHEBRN COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000103289094 219284903 /nfs/dbraw/zinc/28/49/03/219284903.db2.gz OYXHQEQOUXOTIB-QPJJXVBHSA-N 0 0 343.335 3.517 40 30 EHEBRN COc1cccc(C2N=NC(=S)N2N=CC(C)=Cc2ccco2)c1 ZINC000016712474 201978782 /nfs/dbraw/zinc/97/87/82/201978782.db2.gz WDCYXUWRZDERTK-SOWMPKKWSA-N 0 0 340.408 3.773 40 30 EHEBRN N#Cc1c(N)n(-c2ccc(C(F)(F)F)cn2)nc1-c1cccc(F)c1 ZINC000039955078 213244479 /nfs/dbraw/zinc/24/44/79/213244479.db2.gz LSHZIJXQKKQQRZ-UHFFFAOYSA-N 0 0 347.275 3.546 40 30 EHEBRN C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@H]3CC[C@@]21C ZINC000035644194 213043970 /nfs/dbraw/zinc/04/39/70/213043970.db2.gz WHONTIANOSNSAH-AANPDWTMSA-N 0 0 338.447 3.832 40 30 in-vitro EHEBRN N#Cc1ccc(-c2cnc3[nH]cc(NC(=O)c4cccnc4)c3c2)cc1 ZINC000040847911 202465772 /nfs/dbraw/zinc/46/57/72/202465772.db2.gz JTSLALYXYSRPGW-UHFFFAOYSA-N 0 0 339.358 3.749 40 30 in-vitro EHEBRN N#Cc1ccc2oc(-c3cccc(I)c3)nc2c1 ZINC000216792138 241213325 /nfs/dbraw/zinc/21/33/25/241213325.db2.gz VELBFCBCTXSLAH-UHFFFAOYSA-N 0 0 346.127 3.971 40 30 EHEBRN C=CCOC(=O)c1cc(Cl)c(OCc2cccnc2)c(OC)c1 ZINC000216845206 241214575 /nfs/dbraw/zinc/21/45/75/241214575.db2.gz LYZKZZBBGDWCAD-UHFFFAOYSA-N 0 0 333.771 3.665 40 30 EHEBRN C#CCOC(=O)c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000216862692 241215093 /nfs/dbraw/zinc/21/50/93/241215093.db2.gz QYROZNGRHMFGCI-UHFFFAOYSA-N 0 0 345.192 3.818 40 30 EHEBRN C#CCOC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1Cl ZINC000216935338 241225520 /nfs/dbraw/zinc/22/55/20/241225520.db2.gz YFMSSTQSSWYYHB-UHFFFAOYSA-N 0 0 338.746 3.903 40 30 EHEBRN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(Cl)c3)[C@H]2C#N)cc1 ZINC000218528018 241328633 /nfs/dbraw/zinc/32/86/33/241328633.db2.gz HABCYFGCFVRUEK-IXDOHACOSA-N 0 0 331.824 3.728 40 30 EHEBRN Cc1cccc(COc2nn(Cc3cccc(C)c3)c(N)c2C#N)c1 ZINC000225845230 242061416 /nfs/dbraw/zinc/06/14/16/242061416.db2.gz IYKGNRRNZIJYJI-UHFFFAOYSA-N 0 0 332.407 3.581 40 30 EHEBRN N#Cc1cc(N)c(Br)n1Cc1cccc2ccccc21 ZINC000225889696 242072251 /nfs/dbraw/zinc/07/22/51/242072251.db2.gz YMFGNCNBBJDSKX-UHFFFAOYSA-N 0 0 326.197 3.906 40 30 EHEBRN COc1ccccc1-c1nnc(SCC#N)n1Cc1ccccc1 ZINC000004130557 201591498 /nfs/dbraw/zinc/59/14/98/201591498.db2.gz GSRZSNAYDBPREB-UHFFFAOYSA-N 0 0 336.420 3.618 40 30 EHEBRN C=CCN1[C@@H]2CC[C@H]1c1cnc3cc(-c4ccc(OC)cc4)nn3c1C2 ZINC000019558159 212042541 /nfs/dbraw/zinc/04/25/41/212042541.db2.gz PTUMBEICHPMIGK-BEFAXECRSA-N 0 0 346.434 3.653 40 30 EHEBRN FC(F)(F)C(F)(F)C1(Cl)O[C@@](F)(Cl)[C@](F)(Cl)O1 ZINC000095917677 203768643 /nfs/dbraw/zinc/76/86/43/203768643.db2.gz BWYRANFJTUHOHT-PWNYCUMCSA-N 0 0 331.398 3.848 40 30 EHEBRN O=[N+]([O-])c1ccc(N=NC=C2C[C@@H]3C=C[C@H]2C=CC=C3)c([N+](=O)[O-])c1 ZINC000104283337 204103176 /nfs/dbraw/zinc/10/31/76/204103176.db2.gz QGQUUESJKUAXFV-JLFCDQJZSA-N 0 0 338.323 3.755 40 30 EHEBRN O=[N+]([O-])c1ccc(N=NC=C2C[C@H]3C=C[C@@H]2C=CC=C3)c([N+](=O)[O-])c1 ZINC000104283343 204103880 /nfs/dbraw/zinc/10/38/80/204103880.db2.gz QGQUUESJKUAXFV-BIQFZLFZSA-N 0 0 338.323 3.755 40 30 EHEBRN C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C ZINC000118923301 204616497 /nfs/dbraw/zinc/61/64/97/204616497.db2.gz RNDKPONEBPMNRB-NOHKENFHSA-N 0 0 346.511 3.732 40 30 EHEBRN Cc1c(/N=C/c2cn(C)c3ccccc23)c(=O)n(-c2ccccc2)n1C ZINC000101030873 206270700 /nfs/dbraw/zinc/27/07/00/206270700.db2.gz PVOCXPOTAXJKMM-LPYMAVHISA-N 0 0 344.418 3.727 40 30 EHEBRN Brc1cc(/C=N/c2ccccc2)oc1N1CCOCC1 ZINC000059302126 257850553 /nfs/dbraw/zinc/85/05/53/257850553.db2.gz OPKXYUBTKFQVKL-GZTJUZNOSA-N 0 0 335.201 3.629 40 30 EHEBRN C=CCc1cc(C(=O)n2cc(C(=O)OC)c3ccccc32)ccc1OC ZINC000222604801 519129153 /nfs/dbraw/zinc/12/91/53/519129153.db2.gz XNOJSYVHPDTKRL-UHFFFAOYSA-N 0 0 349.386 3.854 40 30 EHEBRN CCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)c(C#N)c1 ZINC000225809162 535275061 /nfs/dbraw/zinc/27/50/61/535275061.db2.gz QBERSZFHWQPQDU-IFXJQAMLSA-N 0 0 330.428 3.881 40 30 EHEBRN CC(C)N=Nc1nc2ccc(I)cc2s1 ZINC000216769394 535371877 /nfs/dbraw/zinc/37/18/77/535371877.db2.gz IEJXQWQHGDZOPR-UHFFFAOYSA-N 0 0 331.182 3.709 40 30 EHEBRN Brc1cc(C=NNc2ccccn2)oc1Br ZINC000015015496 563772185 /nfs/dbraw/zinc/77/21/85/563772185.db2.gz XDRPOZSTMIDEDN-NSIKDUERSA-N 0 0 344.994 3.646 40 30 EHEBRN Cc1ccc(S(=O)(=O)O[C@H]2CCCCCCCC[C@H]2O)cc1 ZINC000001709173 563405656 /nfs/dbraw/zinc/40/56/56/563405656.db2.gz HEFXAEAXCPZBCO-SJORKVTESA-N 0 0 326.458 3.564 40 30 EHEBRN CCOc1ccccc1/C=N/NC(=S)N[C@H]1CCc2ccccc21 ZINC000001709419 563405675 /nfs/dbraw/zinc/40/56/75/563405675.db2.gz MPAQAUIVFJYIHO-NNIWKIFQSA-N 0 0 339.464 3.571 40 30 EHEBRN COc1cc(Cl)c(/C=N/OCc2ccccc2C#N)cc1OC ZINC000408594661 563493714 /nfs/dbraw/zinc/49/37/14/563493714.db2.gz JFQBYROENBTFPT-KEBDBYFISA-N 0 0 330.771 3.780 40 30 EHEBRN Cc1ccc(S(=O)(=O)O[C@@H]2CCC[C@@H]3CC(=O)CC[C@@]32C)cc1 ZINC000004963718 563516334 /nfs/dbraw/zinc/51/63/34/563516334.db2.gz ZGICQDYFNFBHKT-OLMNPRSZSA-N 0 0 336.453 3.628 40 30 EHEBRN Cc1ccc(S(=O)(=O)O[C@H]2CCC[C@@H]3CC(=O)CC[C@@]32C)cc1 ZINC000004963719 563516350 /nfs/dbraw/zinc/51/63/50/563516350.db2.gz ZGICQDYFNFBHKT-JLSDUUJJSA-N 0 0 336.453 3.628 40 30 EHEBRN Cn1c2ccccc2nc1NN=Cc1ccc(Br)cc1 ZINC000408668332 563532896 /nfs/dbraw/zinc/53/28/96/563532896.db2.gz WEBYBWWLIWYJPZ-LICLKQGHSA-N 0 0 329.201 3.782 40 30 EHEBRN CCN1/C(=N/Cc2cccnc2)SC[C@@]1(O)c1ccc(Cl)cc1 ZINC000005928169 563554304 /nfs/dbraw/zinc/55/43/04/563554304.db2.gz NWBVRDAZNKJPJR-XUMLYMLNSA-N 0 0 347.871 3.505 40 30 EHEBRN CCn1c2ccccc2nc1NN=Cc1ccc(OC(C)C)cc1O ZINC000408692574 563573923 /nfs/dbraw/zinc/57/39/23/563573923.db2.gz PNISDPRGZXWIIA-UDWIEESQSA-N 0 0 338.411 3.995 40 30 EHEBRN CCCCCCCCCCCCNC(=O)C(=O)NCCCOCC ZINC000408707201 563595320 /nfs/dbraw/zinc/59/53/20/563595320.db2.gz KWDPRESJRDWZBV-UHFFFAOYSA-N 0 0 342.524 3.566 40 30 EHEBRN COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(F)cc3)S2)cc1 ZINC000007275635 563599068 /nfs/dbraw/zinc/59/90/68/563599068.db2.gz JVTJFZGCRINWMQ-GDNBJRDFSA-N 0 0 328.368 3.726 40 30 EHEBRN CCC[C@H]1NC(=S)NC(c2ccccc2)=C1C(=O)c1ccccc1 ZINC000408731321 563631501 /nfs/dbraw/zinc/63/15/01/563631501.db2.gz LTCDCUZFCMLCRU-MRXNPFEDSA-N 0 0 336.460 3.927 40 30 EHEBRN CCC[C@@H]1NC(=S)NC(c2ccccc2)=C1C(=O)c1ccccc1 ZINC000408731316 563632388 /nfs/dbraw/zinc/63/23/88/563632388.db2.gz LTCDCUZFCMLCRU-INIZCTEOSA-N 0 0 336.460 3.927 40 30 EHEBRN COc1ccc(C2=C/C(=C\c3ccc(OCC#N)cc3)C(=O)O2)cc1 ZINC000408740978 563639575 /nfs/dbraw/zinc/63/95/75/563639575.db2.gz GBKUOGHDWJCUKN-FOWTUZBSSA-N 0 0 333.343 3.579 40 30 EHEBRN O=C1c2ccccc2C(=O)C1=Cc1coc2ccc(Cl)cc2c1=O ZINC000016524288 563814070 /nfs/dbraw/zinc/81/40/70/563814070.db2.gz ZFSFGYQNXWHZFY-UHFFFAOYSA-N 0 0 336.730 3.909 40 30 EHEBRN S=C1N=NC(COc2ccccc2)N1N=Cc1c[nH]c2ccccc12 ZINC000000032492 563964163 /nfs/dbraw/zinc/96/41/63/563964163.db2.gz GGTBJOLBNOYRGP-RGVLZGJSSA-N 0 0 349.419 3.509 40 30 EHEBRN C=CCNC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2)c1 ZINC000224189657 563993158 /nfs/dbraw/zinc/99/31/58/563993158.db2.gz LMTBLNCLKBLMFX-UHFFFAOYSA-N 0 0 325.408 3.807 40 30 EHEBRN C=CCN(c1ccc(C)cc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000224996908 563995387 /nfs/dbraw/zinc/99/53/87/563995387.db2.gz IIWDQPSYHHKLPE-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN C=CCN1C(=O)S/C(=C\c2ccc(N3CCCCC3)cc2)C1=O ZINC000408960682 564008273 /nfs/dbraw/zinc/00/82/73/564008273.db2.gz NTDZRLZLCWKZCL-SSZFMOIBSA-N 0 0 328.437 3.899 40 30 EHEBRN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccn1 ZINC000409249842 564011337 /nfs/dbraw/zinc/01/13/37/564011337.db2.gz PFEVSFYJGNCOOG-UDWIEESQSA-N 0 0 335.367 3.843 40 30 EHEBRN COc1ccc(C(=O)/C=C/c2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 ZINC000005639828 564014225 /nfs/dbraw/zinc/01/42/25/564014225.db2.gz VHRJXKDREMJHPT-XBXARRHUSA-N 0 0 343.335 3.517 40 30 EHEBRN CC1(C)Oc2ccc3ccc(=O)oc3c2C(=CNc2ccccc2)C1=O ZINC000013467969 564020021 /nfs/dbraw/zinc/02/00/21/564020021.db2.gz CJEQLVHKYYCCMD-NTCAYCPXSA-N 0 0 347.370 3.986 40 30 EHEBRN N#Cc1cc(F)c(NC(=O)c2nsc(Cl)c2Cl)cc1F ZINC000000806214 564034484 /nfs/dbraw/zinc/03/44/84/564034484.db2.gz KDBWSQRLCJVXFM-UHFFFAOYSA-N 0 0 334.134 3.852 40 30 EHEBRN COc1ccccc1CCCNC(=S)Nc1ccc(CC#N)cc1 ZINC000225549960 564047740 /nfs/dbraw/zinc/04/77/40/564047740.db2.gz CXSRGJVDYNFREF-UHFFFAOYSA-N 0 0 339.464 3.680 40 30 EHEBRN O=C1c2ccccc2S/C1=C/c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000033303262 564050128 /nfs/dbraw/zinc/05/01/28/564050128.db2.gz MWPUTNKTIZQYAO-GIDUJCDVSA-N 0 0 327.317 3.653 40 30 EHEBRN C/N=C1/S/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C(=O)N1C ZINC000059137332 564050434 /nfs/dbraw/zinc/05/04/34/564050434.db2.gz CZLXHRVHPRGRNF-RRWWAMBHSA-N 0 0 343.427 3.765 40 30 EHEBRN COc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1OC ZINC000007718085 564066473 /nfs/dbraw/zinc/06/64/73/564066473.db2.gz WTYNQRIWIFHIHZ-UXBLZVDNSA-N 0 0 343.335 3.517 40 30 EHEBRN O=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000137934902 564087397 /nfs/dbraw/zinc/08/73/97/564087397.db2.gz YYYONDXERNIFKX-UHFFFAOYSA-N 0 0 348.058 3.924 40 30 EHEBRN Cc1cc(/C=N/NC(N)=S)c(C)n1-c1cccc(Cl)c1Cl ZINC000006044044 564129777 /nfs/dbraw/zinc/12/97/77/564129777.db2.gz XOINRLOLAWNFAY-CNHKJKLMSA-N 0 0 341.267 3.568 40 30 EHEBRN Cc1cc2cc(C#N)c(SCC(=O)NC3CCCC3)nc2cc1C ZINC000000412235 564133227 /nfs/dbraw/zinc/13/32/27/564133227.db2.gz FSCQZTXPKFAEPZ-UHFFFAOYSA-N 0 0 339.464 3.874 40 30 EHEBRN Cc1sc(NC(=S)NC(=O)c2ccc(C)cc2C)c(C#N)c1C ZINC000000558022 564133433 /nfs/dbraw/zinc/13/34/33/564133433.db2.gz SASHNOGXCFSTHK-UHFFFAOYSA-N 0 0 343.477 3.980 40 30 EHEBRN Cc1cc(C)cc(-n2nc(C#N)c(N3CC[C@@H](c4ccccc4)C3)n2)c1 ZINC000256049018 564134726 /nfs/dbraw/zinc/13/47/26/564134726.db2.gz XRQCKGFPLPIUNL-GOSISDBHSA-N 0 0 343.434 3.750 40 30 EHEBRN C[C@@H]1C[C@@H](C)CN(c2c(N)cc(C#N)n2Cc2ccccc2F)C1 ZINC000225868030 564150868 /nfs/dbraw/zinc/15/08/68/564150868.db2.gz SFIMLLYJMGXKNR-ZIAGYGMSSA-N 0 0 326.419 3.612 40 30 EHEBRN N#Cc1cc(Nc2cc3ccccc3cc2N)c([N+](=O)[O-])cc1C#N ZINC000004571313 210224433 /nfs/dbraw/zinc/22/44/33/210224433.db2.gz CUXYKYNCMTYHCK-UHFFFAOYSA-N 0 0 329.319 3.817 40 30 EHEBRN Cc1cc(Br)cc2c1N(C)C(=O)C2=NNc1ccccc1 ZINC000101004902 219113399 /nfs/dbraw/zinc/11/33/99/219113399.db2.gz HACBUGPZPLTMFW-RGEXLXHISA-N 0 0 344.212 3.550 40 30 EHEBRN Cc1sc2ncn(/N=C/c3c(C)cc(C)cc3C)c(=O)c2c1C ZINC000024038005 202112585 /nfs/dbraw/zinc/11/25/85/202112585.db2.gz RWXODTXHXYYWJI-DNTJNYDQSA-N 0 0 325.437 3.882 40 30 EHEBRN CCCC1=N[C@H](S)NC(C(=O)Nc2c(C)cccc2C)=C1CC ZINC000031820259 202210793 /nfs/dbraw/zinc/21/07/93/202210793.db2.gz MLQHAAOMWSJADT-SFHVURJKSA-N 0 0 331.485 3.964 40 30 EHEBRN C#CCOC(=O)/C=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000226257521 201037041 /nfs/dbraw/zinc/03/70/41/201037041.db2.gz JEQMVISPQCINEA-VMPITWQZSA-N 0 0 331.711 3.698 40 30 EHEBRN N#Cc1c(N)n(Cc2ccccc2Cl)nc1Cc1ccc(F)cc1 ZINC000225839504 242058349 /nfs/dbraw/zinc/05/83/49/242058349.db2.gz FHLAFVWGRFAXNZ-UHFFFAOYSA-N 0 0 340.789 3.769 40 30 EHEBRN Cc1ccc(COc2nn(Cc3ccccc3C)c(N)c2C#N)c(C)c1 ZINC000225844582 242061457 /nfs/dbraw/zinc/06/14/57/242061457.db2.gz MRYBPEWDBHDKLQ-UHFFFAOYSA-N 0 0 346.434 3.890 40 30 EHEBRN N#Cc1c(N)nc(SCc2ccc(Cl)cc2)nc1C(F)(F)F ZINC000225894469 242073086 /nfs/dbraw/zinc/07/30/86/242073086.db2.gz FWDJEJRYOPQEHD-UHFFFAOYSA-N 0 0 344.749 3.895 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccccc2C)s1 ZINC000224645607 204872129 /nfs/dbraw/zinc/87/21/29/204872129.db2.gz IMEJQWQZTASEJM-GFCCVEGCSA-N 0 0 349.481 3.921 40 30 EHEBRN CC(=O)[C@H]1[C@H](c2ccsc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N21 ZINC000000340111 205435866 /nfs/dbraw/zinc/43/58/66/205435866.db2.gz NHRZDEAKMKXVGO-QYZOEREBSA-N 0 0 345.427 3.738 40 30 EHEBRN CC(=O)c1sc(NC(=O)CSc2ccccc2)c(C#N)c1C ZINC000409114047 257878602 /nfs/dbraw/zinc/87/86/02/257878602.db2.gz IDDZHIRWFLZUGR-UHFFFAOYSA-N 0 0 330.434 3.862 40 30 EHEBRN COc1cc2c(cc1/C=N\c1cccc(Br)c1)OCO2 ZINC000409065373 257881155 /nfs/dbraw/zinc/88/11/55/257881155.db2.gz LBMYXJWKXQKRTB-IUXPMGMMSA-N 0 0 334.169 3.937 40 30 EHEBRN Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=NNc1ccccc1 ZINC000408999685 257883221 /nfs/dbraw/zinc/88/32/21/257883221.db2.gz RZMHWXVHQHJRSV-UNOMPAQXSA-N 0 0 335.367 3.843 40 30 EHEBRN COc1cc(Cl)c(-c2c(C#N)c(N)nc3c2CCCC3)cc1OC ZINC000408978521 257884200 /nfs/dbraw/zinc/88/42/00/257884200.db2.gz IXJYBKMTSPHJJT-UHFFFAOYSA-N 0 0 343.814 3.582 40 30 EHEBRN CCCCCCCCNC(=O)C(=O)Nc1ccc(OC(C)C)cc1 ZINC000408709837 257891797 /nfs/dbraw/zinc/89/17/97/257891797.db2.gz XSXANYFYRNPEAW-UHFFFAOYSA-N 0 0 334.460 3.889 40 30 EHEBRN C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@H](O)CC[C@@H]4[C@H]3C(=C)C[C@@]21CC ZINC000253535770 518358295 /nfs/dbraw/zinc/35/82/95/518358295.db2.gz ZMLDTNLDYRJTAZ-ZIBLJMHNSA-N 0 0 326.480 3.841 40 30 world EHEBRN C=C(C)COc1ccccc1CN(C)Cc1[nH]nc2c1CCCC2 ZINC000012143734 518621583 /nfs/dbraw/zinc/62/15/83/518621583.db2.gz ACVJKKFUAKHMET-UHFFFAOYSA-N 0 0 325.456 3.875 40 30 EHEBRN C=CCSc1nnc(NC(=O)CCCOc2ccccc2)s1 ZINC000007594302 519086178 /nfs/dbraw/zinc/08/61/78/519086178.db2.gz LEVVMNGVKYKFEW-UHFFFAOYSA-N 0 0 335.454 3.614 40 30 EHEBRN CCOc1cc(/C=N/NC(=S)Nc2c(C)cccc2C)ccc1O ZINC000015347269 520640599 /nfs/dbraw/zinc/64/05/99/520640599.db2.gz SBICQQHBKMUVBP-YBFXNURJSA-N 0 0 343.452 3.728 40 30 EHEBRN C=CCOc1ccc(Cl)cc1/C=C1\SC(=S)N(C)C1=O ZINC000004598859 563926049 /nfs/dbraw/zinc/92/60/49/563926049.db2.gz LWNJNUFQQKACAH-WQLSENKSSA-N 0 0 325.842 3.736 40 30 EHEBRN N#CC1(C#N)[C@@H]2O[C@H](c3ccccc3)[C@@H](C3=C2CCCC3)C1(C#N)C#N ZINC000003847934 563489391 /nfs/dbraw/zinc/48/93/91/563489391.db2.gz YUSRUQKHCDUJDT-GUDVDZBRSA-N 0 0 340.386 3.694 40 30 EHEBRN COc1cc(N2CCCC2)ccc1/C=N/OCc1ccccc1C#N ZINC000408595743 563494378 /nfs/dbraw/zinc/49/43/78/563494378.db2.gz MZOOVCCKAPEBPP-HYARGMPZSA-N 0 0 335.407 3.718 40 30 EHEBRN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C=C2OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004266958 563498722 /nfs/dbraw/zinc/49/87/22/563498722.db2.gz CHVRDANIMSLISG-ACJLOTCBSA-N 0 0 329.352 3.661 40 30 EHEBRN C/C(=N\NS(=O)(=O)c1ccccc1)c1cc(Cl)ccc1Cl ZINC000005163832 563521746 /nfs/dbraw/zinc/52/17/46/563521746.db2.gz VPKPNJMCGYITAH-LICLKQGHSA-N 0 0 343.235 3.696 40 30 EHEBRN CC(N=Nc1nncc2ccccc21)c1ccc(-n2ccnc2)cc1 ZINC000006210366 563561267 /nfs/dbraw/zinc/56/12/67/563561267.db2.gz KTIFVAXAKJXHBR-HYARGMPZSA-N 0 0 328.379 3.652 40 30 EHEBRN C#CCOc1ccc(OC)cc1C=NN=c1[nH]c2ccccc2n1CC ZINC000408692148 563572397 /nfs/dbraw/zinc/57/23/97/563572397.db2.gz FJEQHGKJWIAXBM-KGENOOAVSA-N 0 0 348.406 3.523 40 30 EHEBRN CC=CC=CC(=O)[C@@H]1c2cccc(O)c2C(=O)c2c(O)cc(C)cc21 ZINC000008653505 563634264 /nfs/dbraw/zinc/63/42/64/563634264.db2.gz DTKWQCFDNRPDGR-AYWMVZNQSA-N 0 0 334.371 3.784 40 30 EHEBRN CCc1ccc2nc(SCC(=O)N(CC)CC)c(C#N)cc2c1 ZINC000000410778 563761565 /nfs/dbraw/zinc/76/15/65/563761565.db2.gz XUSQAHSCPIIXTC-UHFFFAOYSA-N 0 0 327.453 3.629 40 30 EHEBRN CCCOc1ccc2ccccc2c1C=NN1C(=O)CSC1=S ZINC000015009114 563771436 /nfs/dbraw/zinc/77/14/36/563771436.db2.gz VHPCRPBODAQIDB-VCHYOVAHSA-N 0 0 344.461 3.823 40 30 EHEBRN COC(=O)CC(=NNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1 ZINC000016189643 563805671 /nfs/dbraw/zinc/80/56/71/563805671.db2.gz LYICCTBSMKQWJY-RGEXLXHISA-N 0 0 347.758 3.628 40 30 EHEBRN CCC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)c(C)c1 ZINC000055107257 563933578 /nfs/dbraw/zinc/93/35/78/563933578.db2.gz QNBXBYXKTDGFHY-GHRIWEEISA-N 0 0 344.327 3.743 40 30 EHEBRN Cc1cc(NN=C2c3ccccc3NC2=O)ccc1Br ZINC000063845327 563956157 /nfs/dbraw/zinc/95/61/57/563956157.db2.gz BFXDAJNFFLJSOX-UHFFFAOYSA-N 0 0 330.185 3.526 40 30 EHEBRN C=CCN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1 ZINC000224683016 563994642 /nfs/dbraw/zinc/99/46/42/563994642.db2.gz SQCRSOLRWSYSOC-UHFFFAOYSA-N 0 0 331.437 3.775 40 30 EHEBRN N#Cc1ccc(Cl)cc1NC(=O)CN1CCCc2ccccc21 ZINC000007587967 563994732 /nfs/dbraw/zinc/99/47/32/563994732.db2.gz CZMIIISILYKPBL-UHFFFAOYSA-N 0 0 325.799 3.603 40 30 EHEBRN C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000224976254 563995307 /nfs/dbraw/zinc/99/53/07/563995307.db2.gz ALLYTPOWYIJRQD-UHFFFAOYSA-N 0 0 349.477 3.798 40 30 EHEBRN C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(SC)cc1 ZINC000224980369 563995386 /nfs/dbraw/zinc/99/53/86/563995386.db2.gz JAJLMRSGOQYWFA-UHFFFAOYSA-N 0 0 349.477 3.798 40 30 EHEBRN C=CCc1cc(C(=O)N[C@H](C)c2ccccc2OC)ccc1OC ZINC000225215091 563995756 /nfs/dbraw/zinc/99/57/56/563995756.db2.gz KDWGQXRFTSHDGW-CQSZACIVSA-N 0 0 325.408 3.923 40 30 EHEBRN O=[N+]([O-])c1cccc(NN=Cc2cc(Br)cs2)c1 ZINC000004855201 564005387 /nfs/dbraw/zinc/00/53/87/564005387.db2.gz TUUUVKBWBDDJFU-AWNIVKPZSA-N 0 0 326.175 3.865 40 30 EHEBRN CC/N=C1/S/C(=C/C=C/c2ccc(N(C)C)cc2)C(=O)N1CC ZINC000408930715 564008088 /nfs/dbraw/zinc/00/80/88/564008088.db2.gz BAUSIYSZORWHEM-HAZSWAFYSA-N 0 0 329.469 3.621 40 30 EHEBRN O=[N+]([O-])c1cc(/N=C/c2ccc(N3CCOCC3)cc2)ccc1Cl ZINC000409102774 564009964 /nfs/dbraw/zinc/00/99/64/564009964.db2.gz VYBNATGRKMPFJJ-XDHOZWIPSA-N 0 0 345.786 3.835 40 30 EHEBRN CCOC(=O)c1ccc(/N=C\c2cc3c(cc2OCC)OCO3)cc1 ZINC000409106250 564010111 /nfs/dbraw/zinc/01/01/11/564010111.db2.gz MWAXNKMPMUHQDU-JAIQZWGSSA-N 0 0 341.363 3.741 40 30 EHEBRN COc1ccccc1/N=C/c1ccc(OCC(=O)OC(C)C)cc1 ZINC000409187415 564010788 /nfs/dbraw/zinc/01/07/88/564010788.db2.gz QDBSSHVCMNCIMJ-UDWIEESQSA-N 0 0 327.380 3.776 40 30 EHEBRN C=CCOc1cccc(NS(=O)(=O)c2c(C)cc(C)cc2C)c1 ZINC000302765923 564013902 /nfs/dbraw/zinc/01/39/02/564013902.db2.gz HIHYLCOIAUYYHJ-UHFFFAOYSA-N 0 0 331.437 3.977 40 30 EHEBRN CN(/N=C/c1cc2c(cc1Br)OCO2)c1ccccc1 ZINC000007350753 564034364 /nfs/dbraw/zinc/03/43/64/564034364.db2.gz JKWDIXWVWAECQB-RQZCQDPDSA-N 0 0 333.185 3.648 40 30 EHEBRN CC(=O)O[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12 ZINC000025542044 564038108 /nfs/dbraw/zinc/03/81/08/564038108.db2.gz KOSODIXFXCTYHT-XDBTUQKASA-N 0 0 344.451 3.629 40 30 EHEBRN Cc1cc2c(cc1/C=N/NC(N)=S)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223588509 564040431 /nfs/dbraw/zinc/04/04/31/564040431.db2.gz QHPSXEIJEYHSDS-NPNVKNKFSA-N 0 0 332.517 3.663 40 30 EHEBRN CN(CCCNC(=S)Nc1ccc(CC#N)cc1)c1ccccc1 ZINC000225747785 564049717 /nfs/dbraw/zinc/04/97/17/564049717.db2.gz AFCCRQKHZQWWII-UHFFFAOYSA-N 0 0 338.480 3.566 40 30 EHEBRN CCCc1ccc(C#N)c(SCC(=O)N2C[C@H](C)C[C@H](C)C2)n1 ZINC000261527061 564056217 /nfs/dbraw/zinc/05/62/17/564056217.db2.gz XYRKAXPHARIPIJ-OKILXGFUSA-N 0 0 331.485 3.502 40 30 EHEBRN N#C[C@H]1[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 ZINC000218654810 564062692 /nfs/dbraw/zinc/06/26/92/564062692.db2.gz BXSOYSQGXKOYBI-OAGGEKHMSA-N 0 0 335.787 3.559 40 30 EHEBRN C=C(C)COc1cccc(C(=O)Nc2cc(OC)ccc2OC)c1 ZINC000008570591 564072556 /nfs/dbraw/zinc/07/25/56/564072556.db2.gz PXWXXFBFOHLQMH-UHFFFAOYSA-N 0 0 327.380 3.911 40 30 EHEBRN Cc1sc(NC(=O)Cn2cc(C=O)c3ccccc32)c(C#N)c1C ZINC000017070904 564116309 /nfs/dbraw/zinc/11/63/09/564116309.db2.gz NYBRXWAUPCTZGK-UHFFFAOYSA-N 0 0 337.404 3.643 40 30 EHEBRN CCOC(=O)[C@@H](C#N)[C@@H](c1ccc(OC)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000002266879 564125225 /nfs/dbraw/zinc/12/52/25/564125225.db2.gz ZKJYSYRVQLSDGW-NJAFHUGGSA-N 0 0 345.439 3.687 40 30 EHEBRN N#Cc1nn(-c2ccc(Cl)cc2)nc1N1CC[C@@H](c2ccccc2)C1 ZINC000256047818 564134702 /nfs/dbraw/zinc/13/47/02/564134702.db2.gz OXXMWYNDRZMSBE-OAHLLOKOSA-N 0 0 349.825 3.786 40 30 EHEBRN CCc1ccc(-n2nc(C#N)c(N(CC)Cc3ccccc3)n2)cc1 ZINC000256047205 564134721 /nfs/dbraw/zinc/13/47/21/564134721.db2.gz LCKAXJJADHJOLQ-UHFFFAOYSA-N 0 0 331.423 3.728 40 30 EHEBRN CC(C)(C)C(=O)/N=C1/N=C2C=CC(Cl)=CN2Cc2ccccc21 ZINC000013302303 564136195 /nfs/dbraw/zinc/13/61/95/564136195.db2.gz WOZBEIATNMPIIN-LTGZKZEYSA-N 0 0 327.815 3.870 40 30 EHEBRN Cc1ccc(F)cc1NC(=O)CSc1nc2c(cc1C#N)CCC2 ZINC000261527057 568419481 /nfs/dbraw/zinc/41/94/81/568419481.db2.gz XUDWYRLEWQFAHF-UHFFFAOYSA-N 0 0 341.411 3.620 40 30 EHEBRN N#Cc1c(N)n(-c2ccc(C(F)(F)F)cn2)nc1-c1ccccc1F ZINC000039955020 213245275 /nfs/dbraw/zinc/24/52/75/213245275.db2.gz PNGTUIXUZDQYCV-UHFFFAOYSA-N 0 0 347.275 3.546 40 30 EHEBRN C[C@@H]1CC(=O)C2C(=Nc3ncnn3[C@H]2c2cccc3ccccc32)C1 ZINC000019959651 202028568 /nfs/dbraw/zinc/02/85/68/202028568.db2.gz LIANDGJHRAKPMR-BUXKBTBVSA-N 0 0 330.391 3.699 40 30 EHEBRN CSc1nc2n(n1)[C@H](c1cccc(C)c1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000022608431 202089004 /nfs/dbraw/zinc/08/90/04/202089004.db2.gz QJRYOYFWPRZLOV-MEDUHNTESA-N 0 0 340.452 3.576 40 30 EHEBRN FC(F)(F)O[C@@](F)(/C=C\I)C(F)(F)F ZINC000036533637 202325924 /nfs/dbraw/zinc/32/59/24/202325924.db2.gz NSLKTPQPESHEBK-HTZFQVBLSA-N 0 0 337.960 3.700 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000004743090 201057000 /nfs/dbraw/zinc/05/70/00/201057000.db2.gz GBYPMNXBNFQGAV-GCOKGBOCSA-N 0 0 330.468 3.694 40 30 in-vitro EHEBRN C#CCOC(=O)/C=C/c1ccc(OCc2cccc(F)c2)c(OC)c1 ZINC000216891896 241217364 /nfs/dbraw/zinc/21/73/64/241217364.db2.gz UBNKRHVTCOQNIM-CSKARUKUSA-N 0 0 340.350 3.603 40 30 EHEBRN CCCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)=O)cc1C#N ZINC000225841404 242059245 /nfs/dbraw/zinc/05/92/45/242059245.db2.gz KTTVHTHUAOLPBA-LJQANCHMSA-N 0 0 346.427 3.653 40 30 EHEBRN N#Cc1c(N)n(Cc2ccc(Cl)cc2)nc1Cc1cccc(F)c1 ZINC000225840322 242059313 /nfs/dbraw/zinc/05/93/13/242059313.db2.gz DVRYPHWPPKPBNA-UHFFFAOYSA-N 0 0 340.789 3.769 40 30 EHEBRN Cc1cccc(Cn2nc(OCc3ccc(C)c(C)c3)c(C#N)c2N)c1 ZINC000225845434 242060829 /nfs/dbraw/zinc/06/08/29/242060829.db2.gz FRCWVJGXJAOLPJ-UHFFFAOYSA-N 0 0 346.434 3.890 40 30 EHEBRN N#Cc1c(N)nc(SCc2ccccc2Cl)nc1C(F)(F)F ZINC000225894444 242072678 /nfs/dbraw/zinc/07/26/78/242072678.db2.gz ZJVMGMKUHRJZRW-UHFFFAOYSA-N 0 0 344.749 3.895 40 30 EHEBRN CCOc1ccccc1/C=N/NC(=S)N[C@@H]1CCc2ccccc21 ZINC000005598914 201657231 /nfs/dbraw/zinc/65/72/31/201657231.db2.gz MPAQAUIVFJYIHO-UOBPLZBXSA-N 0 0 339.464 3.571 40 30 EHEBRN O=C1ON=C(c2ccccc2)C1=CNc1cccc(C(F)(F)F)c1 ZINC000101662241 204018706 /nfs/dbraw/zinc/01/87/06/204018706.db2.gz RJDNXSWFWWCACH-UVTDQMKNSA-N 0 0 332.281 3.962 40 30 EHEBRN C=CCc1cc(C(=O)NCc2ccc(OCC)cc2)ccc1OC ZINC000013668761 211602799 /nfs/dbraw/zinc/60/27/99/211602799.db2.gz CYHWCYQTXAAYAN-UHFFFAOYSA-N 0 0 325.408 3.752 40 30 EHEBRN C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccnc3)c2C)C1=O ZINC000012960532 207266523 /nfs/dbraw/zinc/26/65/23/207266523.db2.gz UTEHWKMFASBCDU-MHWRWJLKSA-N 0 0 339.420 3.711 40 30 EHEBRN Cc1cc(CN=Nc2nc(C)cc(C)n2)c(C)n1CC(F)(F)F ZINC000005577151 210493494 /nfs/dbraw/zinc/49/34/94/210493494.db2.gz RVOQBGDLSFMEJK-FBCYGCLPSA-N 0 0 325.338 3.520 40 30 EHEBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2ccccc2)C1=O ZINC000059516321 257849532 /nfs/dbraw/zinc/84/95/32/257849532.db2.gz HTPNQXWLGKORHR-QGOAFFKASA-N 0 0 333.387 3.872 40 30 EHEBRN C=CCc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(OC)c1O ZINC000113835031 257859590 /nfs/dbraw/zinc/85/95/90/257859590.db2.gz HBCZQPBJVJJDML-LDADJPATSA-N 0 0 348.402 3.935 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@@H](C)Oc2ccccc2C)s1 ZINC000225710678 519087208 /nfs/dbraw/zinc/08/72/08/519087208.db2.gz AFLOJLILNLLLCJ-LLVKDONJSA-N 0 0 335.454 3.531 40 30 EHEBRN Cc1ccccc1OCc1nnc(SCC#N)n1-c1ccccc1 ZINC000004124970 525316170 /nfs/dbraw/zinc/31/61/70/525316170.db2.gz KRMMXEJRGSYYHJ-UHFFFAOYSA-N 0 0 336.420 3.770 40 30 EHEBRN Cc1ccc2c(c1)[nH]c(=S)n2C=C1C(=O)Oc2ccccc2C1=O ZINC000001636013 526215285 /nfs/dbraw/zinc/21/52/85/526215285.db2.gz WIFJNMKIYDTKAJ-XFXZXTDPSA-N 0 0 336.372 3.650 40 30 EHEBRN CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC(C)=O)cc1C#N ZINC000225846921 534958570 /nfs/dbraw/zinc/95/85/70/534958570.db2.gz AAXDNAMBVPIEGJ-LJQANCHMSA-N 0 0 346.427 3.798 40 30 EHEBRN COc1ccc(Oc2c(N)cc(C#N)n2Cc2ccccc2F)cc1 ZINC000225884710 536864508 /nfs/dbraw/zinc/86/45/08/536864508.db2.gz BHIVDJUBDOKBGS-UHFFFAOYSA-N 0 0 337.354 3.930 40 30 EHEBRN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(F)(F)C(F)(F)F ZINC000001572575 563393151 /nfs/dbraw/zinc/39/31/51/563393151.db2.gz KIACNVPTRCLALJ-UHFFFAOYSA-N 0 0 341.217 3.990 40 30 EHEBRN CC(=O)n1nc(C(F)(F)C(F)(F)C(F)(F)F)c(Cl)c1C ZINC000002526334 563439293 /nfs/dbraw/zinc/43/92/93/563439293.db2.gz CMUMCSQNHREMAG-UHFFFAOYSA-N 0 0 326.599 3.794 40 30 EHEBRN C=CCN1/C(=N/c2cccnc2)SC[C@@]1(O)c1ccc(Cl)cc1 ZINC000004575681 563505295 /nfs/dbraw/zinc/50/52/95/563505295.db2.gz FQKNQMUOSLRTBG-XUMLYMLNSA-N 0 0 345.855 3.803 40 30 EHEBRN CC/N=C1\S/C(=C\c2cccc(Br)c2)C(=O)N1CC ZINC000005552168 563538929 /nfs/dbraw/zinc/53/89/29/563538929.db2.gz MNYKBBWYMNPWIN-GNMDZJRLSA-N 0 0 339.258 3.761 40 30 EHEBRN CN(C)/N=C(\COc1ccccc1)c1ccc(Br)cc1 ZINC000408734137 563634702 /nfs/dbraw/zinc/63/47/02/563634702.db2.gz LJXQNMAPXSJFPX-FBMGVBCBSA-N 0 0 333.229 3.794 40 30 EHEBRN COc1ccccc1C(=O)/C=C/c1ccc(OC)c(OC)c1OC ZINC000071977156 563965934 /nfs/dbraw/zinc/96/59/34/563965934.db2.gz WWJZMSYOSPYFBZ-PKNBQFBNSA-N 0 0 328.364 3.617 40 30 EHEBRN CCCCCCCNC(=O)C(=O)Nc1ccc(OCCCC)cc1 ZINC000100993473 563982906 /nfs/dbraw/zinc/98/29/06/563982906.db2.gz MKRAZAHGESFBDR-UHFFFAOYSA-N 0 0 334.460 3.891 40 30 EHEBRN C=CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(OC)cc1 ZINC000224848354 563995031 /nfs/dbraw/zinc/99/50/31/563995031.db2.gz LIYOQZNWCYUYII-UHFFFAOYSA-N 0 0 331.437 3.693 40 30 EHEBRN C#CCOc1ccc(OC)cc1C=NN=c1[nH]c2ccccc2s1 ZINC000008114366 563996358 /nfs/dbraw/zinc/99/63/58/563996358.db2.gz SENWDODWTBRDFX-XDHOZWIPSA-N 0 0 337.404 3.763 40 30 EHEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1C ZINC000408799245 564007311 /nfs/dbraw/zinc/00/73/11/564007311.db2.gz YMMMKJCXCSEILZ-GOSISDBHSA-N 0 0 345.398 3.736 40 30 EHEBRN C/N=C1/S/C(=C/c2ccc(N3CCCCC3)cc2C)C(=O)N1C ZINC000408929438 564008078 /nfs/dbraw/zinc/00/80/78/564008078.db2.gz JNVKCUUHPAMWFW-IRYZSLSISA-N 0 0 329.469 3.517 40 30 EHEBRN CCOc1ccc2ccccc2c1/C=C1/S/C(=N/C)N(C)C1=O ZINC000408930187 564008085 /nfs/dbraw/zinc/00/80/85/564008085.db2.gz TVZIOZNTJKWLME-FLXQFUDPSA-N 0 0 326.421 3.770 40 30 EHEBRN Cc1cc(/C=N/NC(N)=S)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408968050 564008419 /nfs/dbraw/zinc/00/84/19/564008419.db2.gz TZEVAINBXYWUEX-RGVLZGJSSA-N 0 0 328.485 3.559 40 30 EHEBRN O=S(=O)(Oc1ccc(/C=N/O)cc1Cl)c1ccc(Cl)cc1 ZINC000409068788 564009406 /nfs/dbraw/zinc/00/94/06/564009406.db2.gz VRKRBRQEYOUYEX-LZYBPNLTSA-N 0 0 346.191 3.569 40 30 EHEBRN Cc1cc(N2CCCCC2)ccc1CN=Nc1ncccc1[N+](=O)[O-] ZINC000409094548 564009653 /nfs/dbraw/zinc/00/96/53/564009653.db2.gz FRBZSTRLSYPYMR-DEDYPNTBSA-N 0 0 339.399 3.735 40 30 EHEBRN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C3(C#N)CC3)cc2)c(C)c1 ZINC000222974972 564038626 /nfs/dbraw/zinc/03/86/26/564038626.db2.gz VXGNGTOQABDOQD-UHFFFAOYSA-N 0 0 340.448 3.968 40 30 EHEBRN C=CCn1nnnc1NCc1ccc(-c2cccc(Cl)c2C)o1 ZINC000007602289 564070852 /nfs/dbraw/zinc/07/08/52/564070852.db2.gz NRMVITUYEMVCHJ-UHFFFAOYSA-N 0 0 329.791 3.693 40 30 EHEBRN C=C(C)COc1cccc(C(=O)NCc2ccc(OCC)cc2)c1 ZINC000219788171 564084165 /nfs/dbraw/zinc/08/41/65/564084165.db2.gz DZJRQTUXBLKOHC-UHFFFAOYSA-N 0 0 325.408 3.970 40 30 EHEBRN CCNC(=S)N=NCc1ccc(OC)c(OCc2ccccc2)c1 ZINC000006296297 564129773 /nfs/dbraw/zinc/12/97/73/564129773.db2.gz YWNZGQIIEBPSNL-UDWIEESQSA-N 0 0 343.452 3.503 40 30 EHEBRN O=C(COc1ccc(/C=N\O)cc1)Nc1ccc(Cl)c(Cl)c1 ZINC000107806903 564129999 /nfs/dbraw/zinc/12/99/99/564129999.db2.gz UAEFCPXXUUQSJK-LSCVHKIXSA-N 0 0 339.178 3.819 40 30 EHEBRN CCc1ccc2nc(SCC(=O)N[C@@H](C)CC)c(C#N)cc2c1 ZINC000000416737 564133210 /nfs/dbraw/zinc/13/32/10/564133210.db2.gz FAPULJDKFYOZBF-LBPRGKRZSA-N 0 0 327.453 3.676 40 30 EHEBRN Cc1sc(NC(=S)NC(=O)c2cccc(C)c2)c(C#N)c1C ZINC000009140935 564134202 /nfs/dbraw/zinc/13/42/02/564134202.db2.gz AWMNOZCYILDOCC-UHFFFAOYSA-N 0 0 329.450 3.672 40 30 EHEBRN C[C@H]1CCCN(c2c(N)cc(C#N)n2Cc2ccccc2Cl)C1 ZINC000225866106 564150865 /nfs/dbraw/zinc/15/08/65/564150865.db2.gz QBRWLPVYBGLWGN-ZDUSSCGKSA-N 0 0 328.847 3.880 40 30 EHEBRN C=C1C(=O)O[C@H]2C=C(C)C[C@H]3C=C(CCC=C(C)CC[C@H]12)C(=O)O3 ZINC000263601138 1037240627 /nfs/dbraw/zinc/24/06/27/1037240627.db2.gz KTYZKXFERQUCPX-KSZLIROESA-N 0 0 328.408 3.793 40 30 biogenic,in-vitro EHEBRN CCOc1ccc(CN=Nc2ccc([N+](=O)[O-])cn2)c2ccccc12 ZINC000038196101 202130940 /nfs/dbraw/zinc/13/09/40/202130940.db2.gz WPFDPMIOZDMLJD-JAIQZWGSSA-N 0 0 336.351 3.988 40 30 EHEBRN O=[N+]([O-])c1ccc(/C=N/N=C\c2ccc(Br)cc2)cc1 ZINC000025667246 202134230 /nfs/dbraw/zinc/13/42/30/202134230.db2.gz LTOMVKJMKKOUCL-ZAGBYUSBSA-N 0 0 332.157 3.810 40 30 EHEBRN CCOc1cc2c(cc1O)/C(=N/O)C[C@H]1[C@H]3CC[C@H](O)[C@]3(C)CC[C@H]21 ZINC000032068478 202219968 /nfs/dbraw/zinc/21/99/68/202219968.db2.gz SMKGGPJGMFBQDP-NAEAPCFPSA-N 0 0 345.439 3.644 40 30 EHEBRN C=CCOC(=O)/C=C/c1ccc(-c2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000226257428 201037308 /nfs/dbraw/zinc/03/73/08/201037308.db2.gz OFKBCRGMORKRGY-RMKNXTFCSA-N 0 0 329.308 3.606 40 30 EHEBRN O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Br)o1)NO ZINC000226290717 201039027 /nfs/dbraw/zinc/03/90/27/201039027.db2.gz NMRMSRPSLIJBDE-ZZXKWVIFSA-N 0 0 342.576 3.881 40 30 EHEBRN C#CCOC(=O)c1cc2nc(-c3ccccc3F)[nH]c2c(Cl)c1 ZINC000216921506 241223138 /nfs/dbraw/zinc/22/31/38/241223138.db2.gz KLXKPQMEXSCLKV-UHFFFAOYSA-N 0 0 328.730 3.812 40 30 EHEBRN CCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)c(C#N)c1 ZINC000225832815 242055133 /nfs/dbraw/zinc/05/51/33/242055133.db2.gz KOSUKEBPMKQMNT-KUHUBIRLSA-N 0 0 330.428 3.881 40 30 EHEBRN CC[C@H](C)n1nc(Cc2ccc(Br)cc2)c(C#N)c1N ZINC000225833316 242057320 /nfs/dbraw/zinc/05/73/20/242057320.db2.gz FBRPOBBQBLRDSJ-JTQLQIEISA-N 0 0 333.233 3.661 40 30 EHEBRN COc1ccccc1Oc1c(N)cc(C#N)n1Cc1ccccc1F ZINC000225883579 242069990 /nfs/dbraw/zinc/06/99/90/242069990.db2.gz QKMUYWDNAKKZGG-UHFFFAOYSA-N 0 0 337.354 3.930 40 30 EHEBRN CCc1nc2cc(C(=O)Nc3ccc(C4(C#N)CC4)cc3)ccc2n1C ZINC000225895248 242073378 /nfs/dbraw/zinc/07/33/78/242073378.db2.gz JZMLRKACEMAYRW-UHFFFAOYSA-N 0 0 344.418 3.943 40 30 EHEBRN CCCCOc1ccc(NC(=O)C(C)(C)Br)cc1C#N ZINC000225786730 242034983 /nfs/dbraw/zinc/03/49/83/242034983.db2.gz NFSIEFIYVFAYSU-UHFFFAOYSA-N 0 0 339.233 3.849 40 30 EHEBRN Cc1cc(C)c(C#N)c(SCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)n1 ZINC000005643314 201658230 /nfs/dbraw/zinc/65/82/30/201658230.db2.gz FVSYDJLVACZPLK-PJODQICGSA-N 0 0 331.485 3.603 40 30 EHEBRN C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCC(Oc3cccnc3)CC1)C2 ZINC000019460723 212030157 /nfs/dbraw/zinc/03/01/57/212030157.db2.gz WANHKIRIVQJWHE-KKSFZXQISA-N 0 0 340.467 3.834 40 30 EHEBRN C=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000224679338 204877671 /nfs/dbraw/zinc/87/76/71/204877671.db2.gz YZXIGPDLOPXLNH-UHFFFAOYSA-N 0 0 331.437 3.855 40 30 EHEBRN CCc1ccc2nc(SCC(=O)NC(C)(C)C)c(C#N)cc2c1 ZINC000000416734 205452732 /nfs/dbraw/zinc/45/27/32/205452732.db2.gz VTDJUDPTKGGFST-UHFFFAOYSA-N 0 0 327.453 3.676 40 30 EHEBRN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccco1 ZINC000013635071 211595515 /nfs/dbraw/zinc/59/55/15/211595515.db2.gz HICLZXRGKBGJRL-QGZVFWFLSA-N 0 0 335.363 3.647 40 30 EHEBRN CCOc1cc(/C=C/C(=O)c2cc(C)nn2C)ccc1OC(F)F ZINC000006487496 210639102 /nfs/dbraw/zinc/63/91/02/210639102.db2.gz FGIYDSYBJIDZGH-FNORWQNLSA-N 0 0 336.338 3.625 40 30 EHEBRN Cc1cc(CN=Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccccc1 ZINC000409102203 257879682 /nfs/dbraw/zinc/87/96/82/257879682.db2.gz DCTMOXCXNZOVES-NDENLUEZSA-N 0 0 335.367 3.843 40 30 EHEBRN C=CCN1C(=O)S/C(=C\c2cccn2-c2ccc(OC)cc2)C1=O ZINC000408955633 257885285 /nfs/dbraw/zinc/88/52/85/257885285.db2.gz XWGHTYUUOCLKFR-VBKFSLOCSA-N 0 0 340.404 3.708 40 30 EHEBRN CC[C@H](C)Oc1ccc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1OC ZINC000408913886 257886266 /nfs/dbraw/zinc/88/62/66/257886266.db2.gz VWEOEUOIJSFCOU-ZTPSMGMTSA-N 0 0 344.371 3.622 40 30 EHEBRN COC(=O)COc1ccc(/C=N\c2cccc(Br)c2)cc1 ZINC000408815121 257888110 /nfs/dbraw/zinc/88/81/10/257888110.db2.gz PNJBFEGKKKJEEJ-ZDLGFXPLSA-N 0 0 348.196 3.752 40 30 EHEBRN CC1=NN(c2ccccc2)C(=O)C1=CNN=c1ccc2ccccc2[nH]1 ZINC000408743228 257889413 /nfs/dbraw/zinc/88/94/13/257889413.db2.gz ZQSZAZYUPLURRL-VYVDHXHBSA-N 0 0 343.390 3.671 40 30 EHEBRN C#CCOC(=O)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000058823599 518294616 /nfs/dbraw/zinc/29/46/16/518294616.db2.gz BPMYPSVVILJRON-UHFFFAOYSA-N 0 0 330.767 3.718 40 30 EHEBRN CCOC(=O)/C(=N/Nc1ccccc1Cl)N1C[C@H](C)C[C@H](C)C1 ZINC000003166340 520396762 /nfs/dbraw/zinc/39/67/62/520396762.db2.gz RHWHKFRIEKNBTJ-BBKIPHGLSA-N 0 0 337.851 3.606 40 30 EHEBRN COc1cc(CN=NC(N)=S)ccc1OCc1ccc(Cl)cc1 ZINC000004749721 522004899 /nfs/dbraw/zinc/00/48/99/522004899.db2.gz HZWOMCUJMYGUAX-OCKHKDLRSA-N 0 0 349.843 3.506 40 30 EHEBRN CCO[C@@](C)(C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N)C1CC1 ZINC000225836748 535544350 /nfs/dbraw/zinc/54/43/50/535544350.db2.gz RMJZMPRRFTZANJ-BFUOFWGJSA-N 0 0 330.428 3.879 40 30 EHEBRN C=CCOc1ccc(C(=O)Nc2ccccc2OC)cc1OCC ZINC000408528753 563415019 /nfs/dbraw/zinc/41/50/19/563415019.db2.gz FXMYTDMCALWRGZ-UHFFFAOYSA-N 0 0 327.380 3.911 40 30 EHEBRN Cc1nc2ccccc2c(=O)n1/N=C\c1ccc(OCC(C)C)cc1 ZINC000408600764 563495925 /nfs/dbraw/zinc/49/59/25/563495925.db2.gz FYYSGFBODXTGER-MTJSOVHGSA-N 0 0 335.407 3.622 40 30 EHEBRN COc1cc(Cl)c(C=NNc2nc3ccccc3n2C)cc1OC ZINC000408648872 563516609 /nfs/dbraw/zinc/51/66/09/563516609.db2.gz COWNQAUCMBHXQP-VXLYETTFSA-N 0 0 344.802 3.690 40 30 EHEBRN COc1ccc(NC(=S)N/N=C(\C)c2ccc(C)cc2)cc1OC ZINC000006370190 563566408 /nfs/dbraw/zinc/56/64/08/563566408.db2.gz VIZDQIGZTCLVRV-DEDYPNTBSA-N 0 0 343.452 3.723 40 30 EHEBRN N#CCc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000008125931 563621780 /nfs/dbraw/zinc/62/17/80/563621780.db2.gz JIAPYERPNCMJSC-UHFFFAOYSA-N 0 0 334.297 3.789 40 30 EHEBRN CCCc1ccccc1CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000013407769 563697757 /nfs/dbraw/zinc/69/77/57/563697757.db2.gz VOYFOZSLOWFKJR-GZTJUZNOSA-N 0 0 328.328 3.902 40 30 EHEBRN O=C1C(=O)N(c2ccccc2)[C@H](c2ccc(F)cc2)C1=C(O)C1CC1 ZINC000016839824 563824869 /nfs/dbraw/zinc/82/48/69/563824869.db2.gz QGPWFSPUAQBAMF-QGZVFWFLSA-N 0 0 337.350 3.705 40 30 EHEBRN CC(=CC(=NNc1nc(C)cc(=O)[nH]1)c1ccccc1)c1ccccc1 ZINC000017422476 563844529 /nfs/dbraw/zinc/84/45/29/563844529.db2.gz QHGXJCQYAFKFJZ-GHYOEHOBSA-N 0 0 344.418 3.998 40 30 EHEBRN Oc1ccc(Br)cc1/C=N/c1ccc2nccnc2c1 ZINC000059843789 563949475 /nfs/dbraw/zinc/94/94/75/563949475.db2.gz YVWLCGLDXGKIAB-DJKKODMXSA-N 0 0 328.169 3.849 40 30 EHEBRN C=CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(OC)cc1 ZINC000224847991 563995044 /nfs/dbraw/zinc/99/50/44/563995044.db2.gz ZOAJQAYKVCSLRI-UHFFFAOYSA-N 0 0 331.437 3.693 40 30 EHEBRN C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(F)cc1 ZINC000224912599 563995145 /nfs/dbraw/zinc/99/51/45/563995145.db2.gz OEZSUBHJRVMLQN-UHFFFAOYSA-N 0 0 335.400 3.524 40 30 EHEBRN C=CCN(c1ccccc1OCC)S(=O)(=O)c1ccc(F)cc1 ZINC000224908697 563995165 /nfs/dbraw/zinc/99/51/65/563995165.db2.gz PNTDVRMEWBSURS-UHFFFAOYSA-N 0 0 335.400 3.606 40 30 EHEBRN C=C(C)COc1ccc([C@@H]2NC(=O)c3ccccc3O2)cc1OCC ZINC000004997909 564005627 /nfs/dbraw/zinc/00/56/27/564005627.db2.gz DSKUKCIIKHXYSY-HXUWFJFHSA-N 0 0 339.391 3.861 40 30 EHEBRN CC/N=C1\S/C(=C/c2c(C)n(C)c3ccccc23)C(=O)N1CC ZINC000408810643 564007342 /nfs/dbraw/zinc/00/73/42/564007342.db2.gz KHXGDGHAPXULAE-BDYZYUDZSA-N 0 0 327.453 3.799 40 30 EHEBRN C=CCOc1ccccc1/C=C1\N=C(c2ccc(OCC)cc2)OC1=O ZINC000409008871 564008929 /nfs/dbraw/zinc/00/89/29/564008929.db2.gz NXYURQMRXYMYGQ-JXAWBTAJSA-N 0 0 349.386 3.995 40 30 EHEBRN COc1cc(C(=O)C=CNc2ccc(F)cc2F)cc(OC)c1OC ZINC000409056278 564009224 /nfs/dbraw/zinc/00/92/24/564009224.db2.gz BZUKSWIGRMHXDP-VOTSOKGWSA-N 0 0 349.333 3.799 40 30 EHEBRN C=CCN1C(=O)S/C(=C/c2cc(Br)cs2)C1=O ZINC000409071220 564009486 /nfs/dbraw/zinc/00/94/86/564009486.db2.gz PZLXODXXVOJNSC-WEVVVXLNSA-N 0 0 330.228 3.733 40 30 EHEBRN C[C@H]1CCCC(=CNc2ccc(I)cc2)C1=O ZINC000409181097 564010874 /nfs/dbraw/zinc/01/08/74/564010874.db2.gz WEBUBQPDAILVBY-RGAIUGGKSA-N 0 0 341.192 3.976 40 30 EHEBRN CC(C)n1cc(C=Nn2c(=O)[nH]c3ccccc3c2=O)c2ccccc21 ZINC000409347589 564011837 /nfs/dbraw/zinc/01/18/37/564011837.db2.gz QGTJCZSPLWKYSH-UHFFFAOYSA-N 0 0 346.390 3.520 40 30 EHEBRN COc1cc(C=C2CCCC(C(=O)C(F)(F)F)=C2O)ccc1O ZINC000102960852 564013517 /nfs/dbraw/zinc/01/35/17/564013517.db2.gz BETCPQFHPZTBJL-XGQUATGFSA-N 0 0 328.286 3.912 40 30 EHEBRN O=C1N/C(=N\c2ccccc2)S/C1=C/c1cc(Cl)ccc1O ZINC000005124735 564013955 /nfs/dbraw/zinc/01/39/55/564013955.db2.gz LMPPHWMWNVPWHO-NTEUORMPSA-N 0 0 330.796 3.937 40 30 EHEBRN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OC(C)C)cc1 ZINC000008562962 564016386 /nfs/dbraw/zinc/01/63/86/564016386.db2.gz SYXDEXDZUVJDQL-UHFFFAOYSA-N 0 0 338.407 3.642 40 30 EHEBRN O=[N+]([O-])c1ccc(/N=C/c2ccc(Br)cc2)c2nonc21 ZINC000006505930 564025284 /nfs/dbraw/zinc/02/52/84/564025284.db2.gz MNGHZESKYSCDEA-VIZOYTHASA-N 0 0 347.128 3.644 40 30 EHEBRN Cc1ccccc1/C=N/O[C@@H](C)C(=O)Nc1ccc(F)c(F)c1F ZINC000005406663 564032110 /nfs/dbraw/zinc/03/21/10/564032110.db2.gz FJDAJMZGRNVDMV-PQDFQZGZSA-N 0 0 336.313 3.790 40 30 EHEBRN Cc1ccc2c(c1)C(=NNc1cccc(C)c1)C(=O)N2C1CSC1 ZINC000223721077 564040698 /nfs/dbraw/zinc/04/06/98/564040698.db2.gz KUJACELKOPTWSF-UZYVYHOESA-N 0 0 337.448 3.582 40 30 EHEBRN N#C[C@@H]1[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218654890 564062673 /nfs/dbraw/zinc/06/26/73/564062673.db2.gz BXSOYSQGXKOYBI-PMPSAXMXSA-N 0 0 335.787 3.559 40 30 EHEBRN C=CCn1ncc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)c1C ZINC000057811152 564065157 /nfs/dbraw/zinc/06/51/57/564065157.db2.gz FULRDEGIXMFKPE-HXUWFJFHSA-N 0 0 343.446 3.698 40 30 EHEBRN Cc1sc(NC(=O)COC(=O)c2ccccc2Cl)c(C#N)c1C ZINC000003339229 564078709 /nfs/dbraw/zinc/07/87/09/564078709.db2.gz AIDCVFPHWCMHOJ-UHFFFAOYSA-N 0 0 348.811 3.686 40 30 EHEBRN C=CCOc1ccc(C(=O)NCCCc2cccc(OC)c2)cc1 ZINC000219639277 564084133 /nfs/dbraw/zinc/08/41/33/564084133.db2.gz OHUJGWCZTOKDJR-UHFFFAOYSA-N 0 0 325.408 3.623 40 30 EHEBRN CC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1ccc(N(C)C)cc1 ZINC000107676711 564129958 /nfs/dbraw/zinc/12/99/58/564129958.db2.gz MIDCNOUBBSUTFM-FQEVSTJZSA-N 0 0 349.434 3.887 40 30 EHEBRN C=CCOc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000198681908 564130077 /nfs/dbraw/zinc/13/00/77/564130077.db2.gz BIQGFZICLKIKFQ-PDGQHHTCSA-N 0 0 327.340 3.614 40 30 EHEBRN CCc1ccccc1-n1nc(C#N)c(N2CC[C@H](c3ccccc3)C2)n1 ZINC000256046173 564134677 /nfs/dbraw/zinc/13/46/77/564134677.db2.gz DHCSSMTVGKGQSX-SFHVURJKSA-N 0 0 343.434 3.695 40 30 EHEBRN N#Cc1nn(-c2cccc(Cl)c2)nc1N1CC[C@@H](c2ccccc2)C1 ZINC000256046888 564134729 /nfs/dbraw/zinc/13/47/29/564134729.db2.gz IRETWWIHQNBERM-OAHLLOKOSA-N 0 0 349.825 3.786 40 30 EHEBRN CC(C)(C)Nc1nc(Nc2ccccc2C#N)cc(-c2cccnc2)n1 ZINC000329071893 564137667 /nfs/dbraw/zinc/13/76/67/564137667.db2.gz ZTIYDCMUJKCWGY-UHFFFAOYSA-N 0 0 344.422 3.786 40 30 EHEBRN N#C[C@H]1[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000225668298 564150202 /nfs/dbraw/zinc/15/02/02/564150202.db2.gz BXSOYSQGXKOYBI-HRCADAONSA-N 0 0 335.787 3.559 40 30 EHEBRN N#C[C@H]1[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000225668089 564150220 /nfs/dbraw/zinc/15/02/20/564150220.db2.gz RWSGWXTVJVYKEN-HRCADAONSA-N 0 0 335.787 3.559 40 30 EHEBRN C=CCn1cc(C(=O)OCC)c(=O)c2cc(F)c(C(F)(F)F)cc21 ZINC000199736536 1120644806 /nfs/dbraw/zinc/64/48/06/1120644806.db2.gz PZQQYDUFJYLEJY-UHFFFAOYSA-N 0 0 343.276 3.522 40 30 EHEBRN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc[nH]1 ZINC000019418920 202007489 /nfs/dbraw/zinc/00/74/89/202007489.db2.gz OFGIAYXDQJMJKB-UHFFFAOYSA-N 0 0 338.451 3.988 40 30 EHEBRN C#CCN1C(=O)S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C1=O ZINC000001167099 209714153 /nfs/dbraw/zinc/71/41/53/209714153.db2.gz GKUZCZBROCUGLC-GDNBJRDFSA-N 0 0 327.336 3.755 40 30 EHEBRN C[N+](C)([O-])CCC[C@@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 ZINC000022054999 202078934 /nfs/dbraw/zinc/07/89/34/202078934.db2.gz DIOGFDCEWUUSBQ-FQEVSTJZSA-N 0 0 340.398 3.826 40 30 world EHEBRN CNC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 ZINC000030823016 202199600 /nfs/dbraw/zinc/19/96/00/202199600.db2.gz DYGQLYKGSZPTQS-SFHVURJKSA-N 0 0 337.379 3.599 40 30 EHEBRN C#CCOC(=O)c1ccc(OCc2ccccc2)c(Br)c1 ZINC000216817509 241213065 /nfs/dbraw/zinc/21/30/65/241213065.db2.gz LBYDABZNRBGQMO-UHFFFAOYSA-N 0 0 345.192 3.818 40 30 EHEBRN CCCOC1(C(=O)Nc2ccc(OC(C)=O)c(C#N)c2)CCCCC1 ZINC000225852055 242062912 /nfs/dbraw/zinc/06/29/12/242062912.db2.gz HWTSTRMYVRAWOG-UHFFFAOYSA-N 0 0 344.411 3.552 40 30 EHEBRN CC(=O)/N=C1\NC(=O)/C(=C/c2ccc(-c3ccc(C)c(C)c3)o2)S1 ZINC000005753878 201663212 /nfs/dbraw/zinc/66/32/12/201663212.db2.gz JKWUVZAWEHYJMN-SXGWCWSVSA-N 0 0 340.404 3.670 40 30 EHEBRN Cc1ccsc1/C=C1\C(=O)ON=C1c1ccc(C)c([N+](=O)[O-])c1 ZINC000101662071 204018684 /nfs/dbraw/zinc/01/86/84/204018684.db2.gz WQTAEPVVVGNSRD-WQLSENKSSA-N 0 0 328.349 3.618 40 30 EHEBRN CC(=NNC(=S)NCC(C)C)C(C)N=Nc1ccc(Cl)cc1 ZINC000104191924 204099759 /nfs/dbraw/zinc/09/97/59/204099759.db2.gz JKSMUELDJLNQHW-ZAORYEFMSA-N 0 0 339.896 3.624 40 30 EHEBRN C=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1cccs1 ZINC000225142518 205050248 /nfs/dbraw/zinc/05/02/48/205050248.db2.gz OFKKVMKQEXGXAF-UHFFFAOYSA-N 0 0 337.466 3.917 40 30 EHEBRN S=C1N=NC(Cc2cccc3ccccc32)N1N=Cc1ccco1 ZINC000006675484 205820408 /nfs/dbraw/zinc/82/04/08/205820408.db2.gz PAOQKSDCUYYBFJ-XDHOZWIPSA-N 0 0 334.404 3.786 40 30 EHEBRN C=C(C)COc1cccc(C(=O)Nc2ccc(OC)cc2OC)c1 ZINC000008570590 210967456 /nfs/dbraw/zinc/96/74/56/210967456.db2.gz BWVJCDNTGPYLCQ-UHFFFAOYSA-N 0 0 327.380 3.911 40 30 EHEBRN C=CCN1C(=O)/C(=C\c2cccc3ccccc23)C(C(=O)OC)=C1C ZINC000006654844 210672089 /nfs/dbraw/zinc/67/20/89/210672089.db2.gz BNWTYUPBMMIOOQ-AQTBWJFISA-N 0 0 333.387 3.698 40 30 EHEBRN COc1cccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1 ZINC000005128903 210396305 /nfs/dbraw/zinc/39/63/05/210396305.db2.gz LEELPVXBOPLMOH-CMDGGOBGSA-N 0 0 328.364 3.617 40 30 EHEBRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CCC(=O)[C@]4(C)CC[C@H]32)C1 ZINC000253617569 258073381 /nfs/dbraw/zinc/07/33/81/258073381.db2.gz VVSMJVQHDZUPIL-KOPHKXLQSA-N 0 0 344.451 3.629 40 30 EHEBRN C=CCc1cc(C(=O)N[C@@H](C)c2ccc(OC)cc2)ccc1OC ZINC000020110491 519128465 /nfs/dbraw/zinc/12/84/65/519128465.db2.gz JXICJPLOWKCMTC-AWEZNQCLSA-N 0 0 325.408 3.923 40 30 EHEBRN CCOC(=O)c1c2c(c(-c3ccccc3)n1C)C(=O)C(C)=C(C)C2=O ZINC000001585982 563394686 /nfs/dbraw/zinc/39/46/86/563394686.db2.gz SRRGHVIJAJVROS-UHFFFAOYSA-N 0 0 337.375 3.584 40 30 EHEBRN CN(C)/C=N/c1cc2c(cc1Br)-c1ccccc1C2=O ZINC000001673975 563402071 /nfs/dbraw/zinc/40/20/71/563402071.db2.gz ZURKZTVVSYTSCL-GIJQJNRQSA-N 0 0 329.197 3.882 40 30 EHEBRN CC(=O)N(c1ccc(Cl)cc1)C1=CC(=O)c2ccccc2C1=O ZINC000001717526 563406473 /nfs/dbraw/zinc/40/64/73/563406473.db2.gz CMBPBXSPXDLJRT-UHFFFAOYSA-N 0 0 325.751 3.656 40 30 EHEBRN CCOc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(OCC)c1 ZINC000408589174 563487386 /nfs/dbraw/zinc/48/73/86/563487386.db2.gz DDXMUMIVPGRUNN-XDHOZWIPSA-N 0 0 344.367 3.943 40 30 EHEBRN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2cccnc2)cc1 ZINC000004475038 563503220 /nfs/dbraw/zinc/50/32/20/563503220.db2.gz JEEIVAJZEQFQBI-NDENLUEZSA-N 0 0 337.452 3.809 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H]3O[C@H]3[C@]12C ZINC000004705848 563508618 /nfs/dbraw/zinc/50/86/18/563508618.db2.gz WHJDKVBASZLKNZ-LBZTYHDASA-N 0 0 328.452 3.711 40 30 in-vitro EHEBRN CC(CCc1ccccc1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005004387 563518513 /nfs/dbraw/zinc/51/85/13/563518513.db2.gz WHTNICIAOKIYQM-ATVHPVEESA-N 0 0 328.328 3.924 40 30 EHEBRN CCCC1N=NC(=S)N1N=Cc1c(OCC)ccc2ccccc21 ZINC000005686292 563545552 /nfs/dbraw/zinc/54/55/52/563545552.db2.gz ZFNPWUHMGFRNLY-XDHOZWIPSA-N 0 0 340.452 3.953 40 30 EHEBRN CCO[C@H]1Oc2ccc(Cl)cc2C(=O)C1=CNc1nccs1 ZINC000006207017 563561003 /nfs/dbraw/zinc/56/10/03/563561003.db2.gz FBCNCNVJJVGOHP-MSKHEQNASA-N 0 0 336.800 3.730 40 30 EHEBRN CCCCCCCCCCNC(=O)C(=O)Nc1ccc2c(c1)OCO2 ZINC000408709818 563598593 /nfs/dbraw/zinc/59/85/93/563598593.db2.gz XJYANIACWFRYFM-UHFFFAOYSA-N 0 0 348.443 3.611 40 30 EHEBRN N#CCc1ccc(NC(=O)COc2ccc(Br)cc2)cc1 ZINC000008125951 563621745 /nfs/dbraw/zinc/62/17/45/563621745.db2.gz FQMWDJKSLGYLRV-UHFFFAOYSA-N 0 0 345.196 3.533 40 30 EHEBRN COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCC#N ZINC000408740218 563639546 /nfs/dbraw/zinc/63/95/46/563639546.db2.gz AOKVIKAGICAOPR-GZTJUZNOSA-N 0 0 347.370 3.887 40 30 EHEBRN C/N=C1\S/C(=C\c2cc(C)n(-c3cccc(C)c3)c2C)C(=O)N1C ZINC000408753871 563641057 /nfs/dbraw/zinc/64/10/57/563641057.db2.gz KTRFAXFWAHQMHK-WGZDZCCCSA-N 0 0 339.464 3.934 40 30 EHEBRN FC(F)(F)[C@@]1(F)OC(F)(F)[C@](F)(C(F)(F)F)OC1(F)F ZINC000060010138 563759657 /nfs/dbraw/zinc/75/96/57/563759657.db2.gz NCWPXDOVVTVZBC-XIXRPRMCSA-N 0 0 332.040 3.675 40 30 EHEBRN Cc1cc(C(F)(F)F)c2c(n[nH]c2NCc2ccc(C#N)cc2)n1 ZINC000013565856 563930176 /nfs/dbraw/zinc/93/01/76/563930176.db2.gz MMOXYRXSGOCBPN-UHFFFAOYSA-N 0 0 331.301 3.769 40 30 EHEBRN C=CCNC(=O)c1ccccc1NC(=O)CCc1ccc(C)c(C)c1 ZINC000224404520 563994002 /nfs/dbraw/zinc/99/40/02/563994002.db2.gz PMFXIROFEZUHIN-UHFFFAOYSA-N 0 0 336.435 3.791 40 30 EHEBRN C=CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000224578144 563994377 /nfs/dbraw/zinc/99/43/77/563994377.db2.gz NNIBNDSDHJLQKQ-UHFFFAOYSA-N 0 0 331.437 3.775 40 30 EHEBRN C=CCNC(=O)c1ccc(OCC)c(COc2ccccc2OC)c1 ZINC000224573420 563994393 /nfs/dbraw/zinc/99/43/93/563994393.db2.gz KZHIIVYPUAXDIF-UHFFFAOYSA-N 0 0 341.407 3.589 40 30 EHEBRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(OC)cc1 ZINC000224850208 563995013 /nfs/dbraw/zinc/99/50/13/563995013.db2.gz KTOJSLDMXIOXTQ-UHFFFAOYSA-N 0 0 337.828 3.730 40 30 EHEBRN C=CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225096326 563995648 /nfs/dbraw/zinc/99/56/48/563995648.db2.gz MHRXZHJQEYDQKN-UHFFFAOYSA-N 0 0 349.427 3.832 40 30 EHEBRN COc1ccc(N=C2NC(=O)/C(=C/c3cccc(OC)c3)S2)cc1 ZINC000408761894 563997478 /nfs/dbraw/zinc/99/74/78/563997478.db2.gz IETYGZNBHOVOTG-WJDWOHSUSA-N 0 0 340.404 3.595 40 30 EHEBRN CCOc1ccc2nc(SCC(=O)NC(C)(C)C)c(C#N)cc2c1 ZINC000001354805 564003424 /nfs/dbraw/zinc/00/34/24/564003424.db2.gz HEEMKTKMQHHDSB-UHFFFAOYSA-N 0 0 343.452 3.512 40 30 EHEBRN C=CCOc1c(/C=C2\N=C(c3ccccc3)OC2=O)cccc1OC ZINC000005000796 564005684 /nfs/dbraw/zinc/00/56/84/564005684.db2.gz MKRVQRRDCMYVPT-SSZFMOIBSA-N 0 0 335.359 3.605 40 30 EHEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cccs2)S1 ZINC000408845003 564007534 /nfs/dbraw/zinc/00/75/34/564007534.db2.gz DUIKKGYOTHNVHL-ZROIWOOFSA-N 0 0 330.434 3.957 40 30 EHEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccccc2O)S1 ZINC000408863851 564007757 /nfs/dbraw/zinc/00/77/57/564007757.db2.gz QOAUCBZKTBIQSG-YBEGLDIGSA-N 0 0 340.404 3.601 40 30 EHEBRN COC(=O)C1=C(C)N(c2ccccc2)C(=Cc2sccc2C)C1=O ZINC000409000555 564008814 /nfs/dbraw/zinc/00/88/14/564008814.db2.gz YRNICAHOUIBLOV-PTNGSMBKSA-N 0 0 339.416 3.934 40 30 EHEBRN N#Cc1ccc(-c2ccc(CN=Nc3ccc([N+](=O)[O-])cn3)o2)cc1 ZINC000409022789 564009011 /nfs/dbraw/zinc/00/90/11/564009011.db2.gz SULKBLCGJAFVKP-RGVLZGJSSA-N 0 0 333.307 3.567 40 30 EHEBRN C=CCc1cc(/C=C2/SC(=O)N(CC=C)C2=O)cc(OCC)c1O ZINC000409064368 564009352 /nfs/dbraw/zinc/00/93/52/564009352.db2.gz DERFACXZZONDRR-RVDMUPIBSA-N 0 0 345.420 3.742 40 30 EHEBRN CCOc1cc2c(cc1/C=N\c1ccc(NC(C)=O)cc1)OCO2 ZINC000409096348 564009855 /nfs/dbraw/zinc/00/98/55/564009855.db2.gz KURWVKLIWIVGCZ-GRSHGNNSSA-N 0 0 326.352 3.523 40 30 EHEBRN COc1ccc(C/N=C\c2ccc(OCC(=O)OC(C)C)cc2)cc1 ZINC000409186832 564010885 /nfs/dbraw/zinc/01/08/85/564010885.db2.gz IKFYOPMARSJXTB-BKUYFWCQSA-N 0 0 341.407 3.645 40 30 EHEBRN COc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(OC)c1 ZINC000409212466 564011103 /nfs/dbraw/zinc/01/11/03/564011103.db2.gz MMFIWHKDRCRDAM-WBZPAZRCSA-N 0 0 348.468 3.793 40 30 EHEBRN COc1cccc(CN=NC(N)=S)c1OCc1ccc(Cl)cc1 ZINC000006094571 564014434 /nfs/dbraw/zinc/01/44/34/564014434.db2.gz NHABVNBYAJGMAC-DJKKODMXSA-N 0 0 349.843 3.506 40 30 EHEBRN C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1Cl ZINC000008554484 564016345 /nfs/dbraw/zinc/01/63/45/564016345.db2.gz HITNMAQOTHPOCU-VAWYXSNFSA-N 0 0 340.810 3.908 40 30 EHEBRN C=C(C)CSc1nnc2n1c1ccccc1c(=O)n2CCCC ZINC000005437052 564032300 /nfs/dbraw/zinc/03/23/00/564032300.db2.gz WIZPOEUBWDDWQW-UHFFFAOYSA-N 0 0 328.441 3.513 40 30 EHEBRN COc1ccccc1CN/N=C/c1ccc(-c2ccccc2C#N)o1 ZINC000020761801 564033419 /nfs/dbraw/zinc/03/34/19/564033419.db2.gz ZSCRUXIPTRMZIW-OEAKJJBVSA-N 0 0 331.375 3.951 40 30 EHEBRN COCCNC(=S)N/N=C(\C)c1ccc(C2CCCCC2)cc1 ZINC000007040148 564033999 /nfs/dbraw/zinc/03/39/99/564033999.db2.gz RBJGINRIAQDDLZ-XSFVSMFZSA-N 0 0 333.501 3.569 40 30 EHEBRN Cc1ccc(C)c(NN=C2c3ccccc3N(C3CSC3)C2=O)c1 ZINC000223718955 564040674 /nfs/dbraw/zinc/04/06/74/564040674.db2.gz LUFZJRGPYAOWAR-UZYVYHOESA-N 0 0 337.448 3.582 40 30 EHEBRN N=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cn1 ZINC000225237073 564045476 /nfs/dbraw/zinc/04/54/76/564045476.db2.gz CCWAJDKANNQEFL-UHFFFAOYSA-N 0 0 349.350 3.840 40 30 EHEBRN O=[N+]([O-])c1cc(/C=N\NC(=S)Nc2ccccc2)ccc1Cl ZINC000033322987 564050160 /nfs/dbraw/zinc/05/01/60/564050160.db2.gz SHICMNOCHGPLRN-SXGWCWSVSA-N 0 0 334.788 3.569 40 30 EHEBRN CCc1ccc2c(c1)C(=NNc1cc(Cl)ccc1[N+](=O)[O-])C(=O)N2 ZINC000059472584 564050644 /nfs/dbraw/zinc/05/06/44/564050644.db2.gz ADQZKIGNNVYBCE-UHFFFAOYSA-N 0 0 344.758 3.579 40 30 EHEBRN O=S(=O)(C(N=C(Cl)Cl)=C(Cl)Cl)c1ccccc1 ZINC000027489674 564079162 /nfs/dbraw/zinc/07/91/62/564079162.db2.gz WITXTSNNYZBCAL-UHFFFAOYSA-N 0 0 333.023 3.898 40 30 EHEBRN Cc1cccc(OCc2nc(SC3CCCC3)nc(N)c2C#N)c1 ZINC000223684748 564081759 /nfs/dbraw/zinc/08/17/59/564081759.db2.gz CMRSIAOWJUTCBW-UHFFFAOYSA-N 0 0 340.452 3.853 40 30 EHEBRN C=CCOc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)OC)c2)cc1 ZINC000008493534 564127472 /nfs/dbraw/zinc/12/74/72/564127472.db2.gz INEFGFUKEGOIAP-UHFFFAOYSA-N 0 0 345.782 3.944 40 30 EHEBRN Cc1cc(C)c2cc(C#N)c(SCC(=O)NC(C)(C)C)nc2c1 ZINC000000412220 564133197 /nfs/dbraw/zinc/13/31/97/564133197.db2.gz SKMARJZWPMSBAV-UHFFFAOYSA-N 0 0 327.453 3.730 40 30 EHEBRN COc1ccc(-c2c(C#N)c(N)ncc2-c2ccccc2)cc1OC ZINC000408978988 564133694 /nfs/dbraw/zinc/13/36/94/564133694.db2.gz KSJHLGNSYUXMIX-UHFFFAOYSA-N 0 0 331.375 3.717 40 30 EHEBRN CCOc1ccc(-n2nc(C#N)c(N(CC)Cc3ccccc3)n2)cc1 ZINC000256047158 564134718 /nfs/dbraw/zinc/13/47/18/564134718.db2.gz KUKDIYBMUFELHR-UHFFFAOYSA-N 0 0 347.422 3.564 40 30 EHEBRN N#Cc1cccc(Nc2cc(C3CC3)nc(NC3CCCCC3)n2)c1 ZINC000328981269 564137524 /nfs/dbraw/zinc/13/75/24/564137524.db2.gz GTWSUEYJHRGQOQ-UHFFFAOYSA-N 0 0 333.439 3.558 40 30 EHEBRN O=C(N[C@@H]1CCc2c[nH]nc2C1)C1(c2ccccc2F)CCCC1 ZINC000329879037 1024231875 /nfs/dbraw/zinc/23/18/75/1024231875.db2.gz LRLKRZHYKBNAST-CQSZACIVSA-N 0 0 327.403 3.875 40 30 EHEBRN Cc1cccc(NC2=NC(=O)C(=Cc3ccccc3OCC#N)S2)c1 ZINC000208036047 1127933204 /nfs/dbraw/zinc/93/32/04/1127933204.db2.gz WRESCOHFDOWJAN-ATVHPVEESA-N 0 0 349.415 3.980 40 30 EHEBRN CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(O)[C@H]3CC[C@]12C ZINC000263611579 1138332732 /nfs/dbraw/zinc/33/27/32/1138332732.db2.gz XGQPQFRJMKCXBL-LMPAGSGNSA-N 0 0 346.467 3.565 40 30 EHEBRN N#Cc1c(N)n(-c2ccc(Cl)cc2)nc1-c1ccc(F)cc1F ZINC000039955392 213246336 /nfs/dbraw/zinc/24/63/36/213246336.db2.gz CMDUOIMXJHFKFI-UHFFFAOYSA-N 0 0 330.725 3.925 40 30 EHEBRN CC(C)(C)OC(=O)N1CCC[C@H](COc2ccc(C#N)c(F)c2)C1 ZINC000039954321 213245340 /nfs/dbraw/zinc/24/53/40/213245340.db2.gz VHFPUIYVSWYCNG-ZDUSSCGKSA-N 0 0 334.391 3.723 40 30 EHEBRN CCSc1nc2n(n1)[C@H](c1ccccc1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000019959529 202027615 /nfs/dbraw/zinc/02/76/15/202027615.db2.gz KAJSZAIPIVIDFZ-MEDUHNTESA-N 0 0 340.452 3.658 40 30 EHEBRN CCOC(=O)C[C@H](c1ccccc1)[C@](C#N)(c1ccccc1)N(C)C ZINC000031667391 202208260 /nfs/dbraw/zinc/20/82/60/202208260.db2.gz MYACROWMLUCQHY-CTNGQTDRSA-N 0 0 336.435 3.704 40 30 EHEBRN CC[C@@H](Sc1nc(C(F)(F)F)cc(C)c1C#N)C(=O)NC(C)C ZINC000032117742 202221666 /nfs/dbraw/zinc/22/16/66/202221666.db2.gz ZAQCEQIWOAWZDP-LLVKDONJSA-N 0 0 345.390 3.676 40 30 EHEBRN C=CCn1c(C)nc2c(sc3nc(C(F)(F)F)cc(C)c32)c1=O ZINC000032117849 212790642 /nfs/dbraw/zinc/79/06/42/212790642.db2.gz FCHSQLWGEFFUHD-UHFFFAOYSA-N 0 0 339.342 3.828 40 30 EHEBRN Cc1ccc(C(=O)O/N=C2/C(C)=CC(=O)[C@@H]3[C@H]2[C@H]2C=C[C@@H]3CC2)cc1 ZINC000217433568 241250527 /nfs/dbraw/zinc/25/05/27/241250527.db2.gz PBYYFCHSPLMSBR-APMUEFAXSA-N 0 0 335.403 3.865 40 30 EHEBRN N#CCc1ccc(NC(=S)NC2(c3ccccn3)CCCC2)cc1 ZINC000225853127 242062845 /nfs/dbraw/zinc/06/28/45/242062845.db2.gz VOJKDXJTSNUEEY-UHFFFAOYSA-N 0 0 336.464 3.904 40 30 EHEBRN COc1ccc(OCCn2c(C#N)cc(N)c2Cc2ccccc2)cc1 ZINC000225862455 242066406 /nfs/dbraw/zinc/06/64/06/242066406.db2.gz DWDMHDUTEAAEJI-UHFFFAOYSA-N 0 0 347.418 3.620 40 30 EHEBRN C[C@@]1(CCCC#N)N=C(SCCCC#N)N(c2ccccc2)C1=O ZINC000003026545 201555027 /nfs/dbraw/zinc/55/50/27/201555027.db2.gz VOPJSZKNKQDYNU-SFHVURJKSA-N 0 0 340.452 3.879 40 30 EHEBRN N#CC(=NNc1ccc(Br)cc1)c1nc2ccccc2[nH]1 ZINC000005072677 201638058 /nfs/dbraw/zinc/63/80/58/201638058.db2.gz CSIBHELLCSAGAH-KGENOOAVSA-N 0 0 340.184 3.665 40 30 EHEBRN CC(C)(C)C(=O)/N=C1\N=C2C=CC(Cl)=CN2Cc2ccccc21 ZINC000101720503 204020250 /nfs/dbraw/zinc/02/02/50/204020250.db2.gz WOZBEIATNMPIIN-PGMHBOJBSA-N 0 0 327.815 3.870 40 30 EHEBRN C[C@@H]1C[C@H]2[C@@H]3CC/C(=C\CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000118927459 204616620 /nfs/dbraw/zinc/61/66/20/204616620.db2.gz URZZKSAZQICNQI-SPWKKWGFSA-N 0 0 344.495 3.654 40 30 EHEBRN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000224982270 204989023 /nfs/dbraw/zinc/98/90/23/204989023.db2.gz ZPTDMOUBZARKTG-UHFFFAOYSA-N 0 0 337.441 3.929 40 30 EHEBRN C=CCN(c1ccccc1C)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225094233 205030799 /nfs/dbraw/zinc/03/07/99/205030799.db2.gz PGDXIXUHSPAMID-UHFFFAOYSA-N 0 0 335.400 3.524 40 30 EHEBRN Clc1cccc(Cl)c1/C=N/n1nnnc1Nc1ccccc1 ZINC000000027969 205396726 /nfs/dbraw/zinc/39/67/26/205396726.db2.gz PPUPVOZPEGPOLC-RQZCQDPDSA-N 0 0 333.182 3.606 40 30 EHEBRN COc1ccc(-c2c(C#N)c(N)ncc2-c2ccccc2)c(OC)c1 ZINC000408980035 257883947 /nfs/dbraw/zinc/88/39/47/257883947.db2.gz PPDKMRYAGKPRRB-UHFFFAOYSA-N 0 0 331.375 3.717 40 30 EHEBRN C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1 ZINC000010513469 257860468 /nfs/dbraw/zinc/86/04/68/257860468.db2.gz SOHHUEVGRIIOTB-FMIVXFBMSA-N 0 0 340.810 3.908 40 30 EHEBRN CCOc1cc(C=NN2C(=S)N=NC2C2CCCCC2)ccc1O ZINC000002193789 257911394 /nfs/dbraw/zinc/91/13/94/257911394.db2.gz DAIHDCGFPBGYBK-WQRHYEAKSA-N 0 0 346.456 3.601 40 30 EHEBRN FC(F)C(F)(F)C(F)(F)C(F)(F)I ZINC000095681921 258067310 /nfs/dbraw/zinc/06/73/10/258067310.db2.gz YOCZVAMFHOCNFS-UHFFFAOYSA-N 0 0 327.940 3.550 40 30 EHEBRN C/C(=N/O)C1=CC[C@@H]2[C@H]3CC=C4C[C@H](O)C[C@H](O)[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253617580 258073422 /nfs/dbraw/zinc/07/34/22/258073422.db2.gz XETDBTMQGVJJOY-LHZIOQKQSA-N 0 0 345.483 3.667 40 30 EHEBRN C=CCOc1cccc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)c1 ZINC000038755837 519055119 /nfs/dbraw/zinc/05/51/19/519055119.db2.gz QMTNRHSVFRWCHY-CQSZACIVSA-N 0 0 327.380 3.666 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@H](CC)Oc2ccccc2)s1 ZINC000016007907 519088556 /nfs/dbraw/zinc/08/85/56/519088556.db2.gz NPLUUCPMMSGXPM-LBPRGKRZSA-N 0 0 335.454 3.612 40 30 EHEBRN C=CCc1cc(C(=O)N(C)Cc2ccccc2OC)ccc1OC ZINC000020452628 519127849 /nfs/dbraw/zinc/12/78/49/519127849.db2.gz OHEBSJKTZDTISK-UHFFFAOYSA-N 0 0 325.408 3.705 40 30 EHEBRN CCOC(=O)/C(=C\c1ccc(OC)c(OC)c1)C(=O)c1ccccc1 ZINC000005810738 520394457 /nfs/dbraw/zinc/39/44/57/520394457.db2.gz KDSAZSRAGUJYGY-VBKFSLOCSA-N 0 0 340.375 3.533 40 30 EHEBRN CCOC(=O)/C(=N\Nc1ccccc1Cl)N(C)C1CCCCC1 ZINC000005447078 520396432 /nfs/dbraw/zinc/39/64/32/520396432.db2.gz FYJNZHPFVLWURE-CAPFRKAQSA-N 0 0 337.851 3.893 40 30 EHEBRN COc1ccc(/C(C)=N/NCc2ccc(OC)c(OC)c2)cc1Cl ZINC000216058520 523362125 /nfs/dbraw/zinc/36/21/25/523362125.db2.gz CWTIAAGUWCGKLC-CIAFOILYSA-N 0 0 348.830 3.880 40 30 EHEBRN Cc1ccc(NC(=S)[C@@H](C#N)c2nc(Cc3ccccc3)n[nH]2)cc1 ZINC000005531799 525266759 /nfs/dbraw/zinc/26/67/59/525266759.db2.gz UUIVJYBGDUIGFW-INIZCTEOSA-N 0 0 347.447 3.751 40 30 EHEBRN CC(C)CSc1nc(N)c(C#N)c(Cc2ccccc2Cl)n1 ZINC000223666056 535257498 /nfs/dbraw/zinc/25/74/98/535257498.db2.gz SIZHUBKXGSRZPS-UHFFFAOYSA-N 0 0 332.860 3.923 40 30 EHEBRN CCCCCCCc1nnc(SCC(=O)NC(C)(C)C)n1CC ZINC000408560651 563477337 /nfs/dbraw/zinc/47/73/37/563477337.db2.gz MYZBYRTVKZRGHV-UHFFFAOYSA-N 0 0 340.537 3.818 40 30 EHEBRN COc1ccc(C(C)(C)C)cc1CN=Nc1ccc([N+](=O)[O-])cn1 ZINC000005138150 563521195 /nfs/dbraw/zinc/52/11/95/563521195.db2.gz NVKIINPPQBADQK-VXLYETTFSA-N 0 0 328.372 3.742 40 30 EHEBRN COc1cccc(/C=N/c2ccc(N3CCOCC3)c(Cl)c2)c1O ZINC000005570242 563540430 /nfs/dbraw/zinc/54/04/30/563540430.db2.gz LCVBMTHCXNUGIH-UDWIEESQSA-N 0 0 346.814 3.641 40 30 EHEBRN CC=C(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000017013068 563828412 /nfs/dbraw/zinc/82/84/12/563828412.db2.gz YTBLMPFISGIMKB-SAPNQHFASA-N 0 0 342.311 3.514 40 30 EHEBRN COc1cc(/C=N\O)ccc1OCc1ccc(Br)cc1 ZINC000100250291 563982473 /nfs/dbraw/zinc/98/24/73/563982473.db2.gz LMOKKUFIMIOPHH-MFOYZWKCSA-N 0 0 336.185 3.845 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@H]3O[C@H]3[C@]12C ZINC000118936467 563992537 /nfs/dbraw/zinc/99/25/37/563992537.db2.gz ZUTUSHGUIOPVJS-INJPTWLASA-N 0 0 330.468 3.791 40 30 EHEBRN C=CCNC(=O)c1ccccc1-c1ncc(-c2cccc(OC)c2)o1 ZINC000224897327 563995111 /nfs/dbraw/zinc/99/51/11/563995111.db2.gz IJCYKCRJRCKWGO-UHFFFAOYSA-N 0 0 334.375 3.933 40 30 EHEBRN Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(Cl)cc1Cl ZINC000000828740 563999497 /nfs/dbraw/zinc/99/94/97/563999497.db2.gz ZQUNFFKOKSASBD-DJKKODMXSA-N 0 0 332.190 3.894 40 30 EHEBRN Fc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000001302934 564001936 /nfs/dbraw/zinc/00/19/36/564001936.db2.gz MPRBLRBYWZJMMQ-NVMNQCDNSA-N 0 0 332.791 3.909 40 30 EHEBRN C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCN(c3ccccc3F)CC1)C2 ZINC000004758059 564005270 /nfs/dbraw/zinc/00/52/70/564005270.db2.gz YRJWXTZABCETEJ-IIBYNOLFSA-N 0 0 342.458 3.857 40 30 EHEBRN CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1 ZINC000006015110 564006283 /nfs/dbraw/zinc/00/62/83/564006283.db2.gz QMLSLGHJGNXMSJ-SFHVURJKSA-N 0 0 335.403 3.921 40 30 EHEBRN C#CCN1C(=O)S/C(=C/c2ccc(-c3cccc(F)c3)o2)C1=O ZINC000409045569 564009169 /nfs/dbraw/zinc/00/91/69/564009169.db2.gz ZFXOSZHIAJQNON-XNTDXEJSSA-N 0 0 327.336 3.755 40 30 EHEBRN C=CCN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2F)C1=O ZINC000409070918 564009492 /nfs/dbraw/zinc/00/94/92/564009492.db2.gz HIWCCUVFPFTZLV-XNTDXEJSSA-N 0 0 332.400 3.648 40 30 EHEBRN CCOC(=O)/C(=N/Nc1ccccc1Cl)N1[C@H](C)CCC[C@@H]1C ZINC000003179829 564026245 /nfs/dbraw/zinc/02/62/45/564026245.db2.gz BGKMOEGQJHZHRV-BBKIPHGLSA-N 0 0 337.851 3.891 40 30 EHEBRN CC[C@@H]1OC(=O)[C@H](C)C(=O)C(C)=C[C@H](C)C[C@H](C)C(=O)C=C[C@@H]1C ZINC000604378753 564034643 /nfs/dbraw/zinc/03/46/43/564034643.db2.gz IJMBDRQWRQKUCH-OOPZZZSYSA-N 0 0 334.456 3.897 40 30 biogenic,in-vitro EHEBRN COc1cc(C(=O)C=CNc2ccc(F)cc2)cc(OC)c1OC ZINC000059942137 564050932 /nfs/dbraw/zinc/05/09/32/564050932.db2.gz WWENBVFRDMEFAE-CMDGGOBGSA-N 0 0 331.343 3.660 40 30 EHEBRN Cc1ccccc1C1N=NC(=S)N1N=Cc1c(F)cccc1F ZINC000006868586 564081805 /nfs/dbraw/zinc/08/18/05/564081805.db2.gz NBFUONWMBZGFJQ-DJKKODMXSA-N 0 0 330.363 3.703 40 30 EHEBRN O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(Cl)cc1Cl)[C@@H]1C=C[C@H]2CC1 ZINC000017072500 564116364 /nfs/dbraw/zinc/11/63/64/564116364.db2.gz IMGRXSFQDPMUBV-HTKIQOSLSA-N 0 0 349.217 3.525 40 30 EHEBRN Cc1ccc(S(=O)(=O)O[C@@H]2CCCC[C@H]2c2ccccn2)cc1 ZINC000004137112 564125142 /nfs/dbraw/zinc/12/51/42/564125142.db2.gz VGNOUPQTSJJLHK-FUHWJXTLSA-N 0 0 331.437 3.822 40 30 EHEBRN Cc1ccc(S(=O)(=O)O[C@H]2CCCC[C@@H]2c2ccccn2)cc1 ZINC000004137111 564125164 /nfs/dbraw/zinc/12/51/64/564125164.db2.gz VGNOUPQTSJJLHK-AEFFLSMTSA-N 0 0 331.437 3.822 40 30 EHEBRN C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)OCC)cc1 ZINC000008040846 564126974 /nfs/dbraw/zinc/12/69/74/564126974.db2.gz KVSAPYGQKNSMIQ-UHFFFAOYSA-N 0 0 325.364 3.680 40 30 EHEBRN CCCC(=O)Nc1cccc(NC(=O)c2ccc(C#N)cc2F)c1 ZINC000009141912 564134254 /nfs/dbraw/zinc/13/42/54/564134254.db2.gz DNMWNSQQNDOBMU-UHFFFAOYSA-N 0 0 325.343 3.688 40 30 EHEBRN CCN(Cc1ccccc1)c1nn(-c2cccc(Cl)c2)nc1C#N ZINC000256048716 564134730 /nfs/dbraw/zinc/13/47/30/564134730.db2.gz VQBGOUCIIWOMHG-UHFFFAOYSA-N 0 0 337.814 3.819 40 30 EHEBRN Cc1cc(C)c2[nH]c(=O)c(C=NN=c3[nH]c4ccccc4s3)cc2c1 ZINC000041074073 564172990 /nfs/dbraw/zinc/17/29/90/564172990.db2.gz KFOUKKXZMBLZNN-KEBDBYFISA-N 0 0 348.431 3.623 40 30 EHEBRN CC(C)C(/C=C\c1ccccc1)=N/NS(=O)(=O)c1ccccc1 ZINC000017175122 201987898 /nfs/dbraw/zinc/98/78/98/201987898.db2.gz LVUFYTGJAGZJRO-GNZBNVCGSA-N 0 0 328.437 3.690 40 30 EHEBRN COc1ccc(-n2nc(-c3ccc(C)cc3Cl)c(C#N)c2N)cc1 ZINC000039955165 213244880 /nfs/dbraw/zinc/24/48/80/213244880.db2.gz UXWCOQQFOPBALZ-UHFFFAOYSA-N 0 0 338.798 3.964 40 30 EHEBRN CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000020672615 202052790 /nfs/dbraw/zinc/05/27/90/202052790.db2.gz LYKDXZUDYHFSAH-GOSISDBHSA-N 0 0 348.362 3.822 40 30 EHEBRN C=CCN(c1c(C)cccc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000140327910 202321336 /nfs/dbraw/zinc/32/13/36/202321336.db2.gz DUOVZAJMDSXYKW-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN Cc1cccc(Cn2nc(OCc3cc(C)ccc3C)c(C#N)c2N)c1 ZINC000225845389 242061375 /nfs/dbraw/zinc/06/13/75/242061375.db2.gz NOVOKVVJCZKUEP-UHFFFAOYSA-N 0 0 346.434 3.890 40 30 EHEBRN CCOC(=O)c1sc(OCc2cccc(Cl)c2)c(C#N)c1N ZINC000225850463 242063617 /nfs/dbraw/zinc/06/36/17/242063617.db2.gz YEDTUWWIHNOJAD-UHFFFAOYSA-N 0 0 336.800 3.611 40 30 EHEBRN COCCN1C(=O)/C(=C\c2ccc(C)o2)S/C1=N\c1ccccc1 ZINC000002807584 201546676 /nfs/dbraw/zinc/54/66/76/201546676.db2.gz CMEIGAZCGWOWPZ-BOXNHUFISA-N 0 0 342.420 3.838 40 30 EHEBRN CC1(C)CC(=O)C2=C(C1)NC(=S)[C@H](C#N)[C@H]2c1ccc(F)cc1 ZINC000005231368 201643270 /nfs/dbraw/zinc/64/32/70/201643270.db2.gz XKUKBYWGAGZROI-IUODEOHRSA-N 0 0 328.412 3.623 40 30 EHEBRN COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(O)C=C(C(C)C)C(=O)C[C@H]12 ZINC000005715516 201660560 /nfs/dbraw/zinc/66/05/60/201660560.db2.gz HDHZYDQBOSLOST-OHNKGQGDSA-N 0 0 348.483 3.668 40 30 EHEBRN N#Cc1cc([N+](=O)[O-])c(NC(=O)C(F)(F)F)cc1C(F)(F)F ZINC000064370278 202813906 /nfs/dbraw/zinc/81/39/06/202813906.db2.gz GCQNVDPHTGCHNR-UHFFFAOYSA-N 0 0 327.140 3.636 40 30 EHEBRN C[C@]1([C@H]2CC[C@H]3[C@@H]4C[C@H](O)[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)CO1 ZINC000118918027 204615436 /nfs/dbraw/zinc/61/54/36/204615436.db2.gz ZQSQEUPUOWBSRX-OZTKBYJOSA-N 0 0 348.527 3.766 40 30 EHEBRN COc1ccc(-c2cc(-c3ccc(C)o3)nc(N)c2C#N)cc1OC ZINC000019095805 212000321 /nfs/dbraw/zinc/00/03/21/212000321.db2.gz QNGFJMDERNTOJK-UHFFFAOYSA-N 0 0 335.363 3.788 40 30 EHEBRN C=CCOc1ccc(NC(=O)C2(C)COC(c3ccco3)OC2)cc1 ZINC000225917071 205104033 /nfs/dbraw/zinc/10/40/33/205104033.db2.gz PHDXGZIGAUDUPE-UHFFFAOYSA-N 0 0 343.379 3.535 40 30 EHEBRN C#CCCCCCCCCCCC[C@@H](C[C@H](O)CO)OC(C)=O ZINC000015270295 211810691 /nfs/dbraw/zinc/81/06/91/211810691.db2.gz FHGZOCAZNHYWAL-OALUTQOASA-N 0 0 326.477 3.586 40 30 endogenous,in-man EHEBRN C=CCN1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)SC1=S ZINC000001159396 206266518 /nfs/dbraw/zinc/26/65/18/206266518.db2.gz VXJZYQBVEZIGOJ-XNTDXEJSSA-N 0 0 349.477 3.870 40 30 EHEBRN O=C(C=CNc1ccc2c(c1)OCO2)c1ccc(Br)cc1 ZINC000013381916 207384235 /nfs/dbraw/zinc/38/42/35/207384235.db2.gz NGJQFQWVEWCGNY-FPLPWBNLSA-N 0 0 346.180 3.986 40 30 EHEBRN NC(=S)N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1 ZINC000409018000 257882479 /nfs/dbraw/zinc/88/24/79/257882479.db2.gz OUVQEFIBVCOMKX-VIZOYTHASA-N 0 0 327.887 3.720 40 30 EHEBRN O=S(=O)(NCc1ccc(/C=N/c2ccccc2)o1)c1ccccc1 ZINC000408777638 257888557 /nfs/dbraw/zinc/88/85/57/257888557.db2.gz DVBGRAKTEKWNPF-CPNJWEJPSA-N 0 0 340.404 3.509 40 30 EHEBRN Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2ccccc2)S1 ZINC000408754673 257889600 /nfs/dbraw/zinc/88/96/00/257889600.db2.gz XAAKSIIYYRHPQW-XNTDXEJSSA-N 0 0 339.376 3.795 40 30 EHEBRN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC(=O)[C@]4(C)[C@@H]3CC[C@]12C ZINC000245238825 258073048 /nfs/dbraw/zinc/07/30/48/258073048.db2.gz BLCAJJQPGLGJDA-WHHPXKAQSA-N 0 0 328.452 3.903 40 30 EHEBRN C=C(C)COc1cccc(C(=O)NCc2ccccc2OCC)c1 ZINC000219789188 533517995 /nfs/dbraw/zinc/51/79/95/533517995.db2.gz YOOTVTDGBCWADZ-UHFFFAOYSA-N 0 0 325.408 3.970 40 30 EHEBRN C=CCNC(=O)CSc1nc(-c2ccc(C)cc2)nc2ccccc21 ZINC000004895077 518897627 /nfs/dbraw/zinc/89/76/27/518897627.db2.gz FSWBKMOYWAYXRA-UHFFFAOYSA-N 0 0 349.459 4.000 40 30 EHEBRN C=CCc1cc(C(=O)NCCCc2ccccc2OC)ccc1OC ZINC000218655796 534408989 /nfs/dbraw/zinc/40/89/89/534408989.db2.gz XEWUWXIRRUYWNH-UHFFFAOYSA-N 0 0 339.435 3.795 40 30 EHEBRN Oc1ccc(Cl)cc1/C=N/NC(=S)N[C@@H]1CCc2ccccc21 ZINC000001709423 563405688 /nfs/dbraw/zinc/40/56/88/563405688.db2.gz JQAXVONNLCANIP-GDXCHIGESA-N 0 0 345.855 3.531 40 30 EHEBRN CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000002557303 563440920 /nfs/dbraw/zinc/44/09/20/563440920.db2.gz BAIJWZQSAKPKNT-CQMXKPHISA-N 0 0 330.468 3.694 40 30 EHEBRN Cc1nc2ccccc2c(=O)n1/N=C\c1ccccc1OCC(C)C ZINC000408605261 563495814 /nfs/dbraw/zinc/49/58/14/563495814.db2.gz XZVSFZWITQFSMU-MTJSOVHGSA-N 0 0 335.407 3.622 40 30 EHEBRN Brc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)o1 ZINC000005338077 563527149 /nfs/dbraw/zinc/52/71/49/563527149.db2.gz NAIVKWUWIRGIKK-GZTJUZNOSA-N 0 0 335.201 3.629 40 30 EHEBRN COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@]1(O)C=C(C(C)C)C(=O)C[C@H]12 ZINC000005715517 563546963 /nfs/dbraw/zinc/54/69/63/563546963.db2.gz HDHZYDQBOSLOST-UGKANONSSA-N 0 0 348.483 3.668 40 30 EHEBRN C/C(=N\N=C(\C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000016890940 563824816 /nfs/dbraw/zinc/82/48/16/563824816.db2.gz WCXRLAGKRXMKSY-MJZABRMRSA-N 0 0 326.312 3.736 40 30 EHEBRN COc1ccc(/N=C/c2cc3c(cc2Br)OCO3)cc1 ZINC000017062073 563830611 /nfs/dbraw/zinc/83/06/11/563830611.db2.gz NHSAPYPXVPGVME-CAOOACKPSA-N 0 0 334.169 3.937 40 30 EHEBRN COC(=O)[C@]1(C)CCC[C@@]2(C)C(=O)CC[C@@H]3CC(=CC3=O)CC[C@H]12 ZINC000067902830 563920041 /nfs/dbraw/zinc/92/00/41/563920041.db2.gz ZAGGYKLVUQTZDW-HIBPSGHXSA-N 0 0 332.440 3.631 40 30 biogenic,in-vitro EHEBRN CC[C@H](/C(=N/O)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC ZINC000096524596 563956859 /nfs/dbraw/zinc/95/68/59/563956859.db2.gz TUKAJJLHQYYHDN-WQYLVOBCSA-N 0 0 331.437 3.745 40 30 EHEBRN C=CCOc1ccc(NS(=O)(=O)c2c(C)cc(OC)cc2C)cc1 ZINC000222952637 563975728 /nfs/dbraw/zinc/97/57/28/563975728.db2.gz YDMCRCQOATXHJF-UHFFFAOYSA-N 0 0 347.436 3.678 40 30 EHEBRN N#CCC(=O)c1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)cc1 ZINC000098210923 563982251 /nfs/dbraw/zinc/98/22/51/563982251.db2.gz BNFVABDWXRGFOW-SNVBAGLBSA-N 0 0 327.180 3.587 40 30 EHEBRN C=CCc1cc(C(=O)NCCOc2cc(C)ccc2C)ccc1OC ZINC000224010172 563991919 /nfs/dbraw/zinc/99/19/19/563991919.db2.gz HETAIDWWSSTUKX-UHFFFAOYSA-N 0 0 339.435 3.849 40 30 EHEBRN C=CCc1cc(C(=O)NCCOc2ccc(C)c(C)c2)ccc1OC ZINC000224126867 563992602 /nfs/dbraw/zinc/99/26/02/563992602.db2.gz PKUSYMZONZTJAF-UHFFFAOYSA-N 0 0 339.435 3.849 40 30 EHEBRN CCc1cccc2c(C#N)cn(CC(=O)Nc3cccc(OC)c3)c21 ZINC000006945237 563993675 /nfs/dbraw/zinc/99/36/75/563993675.db2.gz KKEVYAXRVNOAPV-UHFFFAOYSA-N 0 0 333.391 3.723 40 30 EHEBRN C=CCN(c1ccccc1F)S(=O)(=O)c1ccc(OCC)cc1 ZINC000224591375 563994439 /nfs/dbraw/zinc/99/44/39/563994439.db2.gz IOPGIGGCVHSUKI-UHFFFAOYSA-N 0 0 335.400 3.606 40 30 EHEBRN C=CCc1cccc(O)c1/C=N/c1sc2c(c1C(N)=O)CCCC2 ZINC000005000289 564005622 /nfs/dbraw/zinc/00/56/22/564005622.db2.gz HTLBCDIOKTXZBD-SRZZPIQSSA-N 0 0 340.448 3.911 40 30 EHEBRN Cc1oc(/N=C/c2ccc(I)o2)c(C#N)c1C ZINC000408918808 564008057 /nfs/dbraw/zinc/00/80/57/564008057.db2.gz PHCROJWSVRAEFO-GIDUJCDVSA-N 0 0 340.120 3.716 40 30 EHEBRN O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(N3CCOCC3)cc2)c1 ZINC000408932848 564008115 /nfs/dbraw/zinc/00/81/15/564008115.db2.gz ZXKDEJGLPWNPMA-XDHOZWIPSA-N 0 0 345.786 3.835 40 30 EHEBRN C=CCOc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000409033121 564009090 /nfs/dbraw/zinc/00/90/90/564009090.db2.gz LCHDENNOMJXFNT-WNFQYIGGSA-N 0 0 344.230 3.965 40 30 EHEBRN Cc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1[N+](=O)[O-] ZINC000409216058 564011132 /nfs/dbraw/zinc/01/11/32/564011132.db2.gz DPMZAGCWJMODKQ-UZGJRFSCSA-N 0 0 347.440 3.992 40 30 EHEBRN COc1cc(N2CCOCC2)ccc1/C=N\c1ccc(Cl)cc1O ZINC000409250565 564011351 /nfs/dbraw/zinc/01/13/51/564011351.db2.gz XIPZBYABEQGXLX-NDENLUEZSA-N 0 0 346.814 3.641 40 30 EHEBRN CC(=NNc1ccccc1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005163128 564031528 /nfs/dbraw/zinc/03/15/28/564031528.db2.gz SEAYFZNBAIRONU-CXUHLZMHSA-N 0 0 334.719 3.993 40 30 EHEBRN CCOC(=O)c1c(C)[nH]c(N=Nc2cccc(C(F)(F)F)c2)c1C ZINC000005957838 564033090 /nfs/dbraw/zinc/03/30/90/564033090.db2.gz JSOLVTJZTZSRQT-HYARGMPZSA-N 0 0 339.317 3.785 40 30 EHEBRN COc1cccc(CCCNC(=S)Nc2ccc(CC#N)cc2)c1 ZINC000225553217 564047759 /nfs/dbraw/zinc/04/77/59/564047759.db2.gz KUUUMJVPBWXKKD-UHFFFAOYSA-N 0 0 339.464 3.680 40 30 EHEBRN O=C(O/N=C(\c1ccncc1)c1ccc(Cl)cc1)c1ccco1 ZINC000030836327 564049847 /nfs/dbraw/zinc/04/98/47/564049847.db2.gz LNSWJUNMQIYCCR-SILNSSARSA-N 0 0 326.739 3.937 40 30 EHEBRN CC/N=C1\S/C(=C\c2ccc(OCC)c(OCC)c2)C(=O)N1CC ZINC000059104613 564050427 /nfs/dbraw/zinc/05/04/27/564050427.db2.gz PRKNWUOXMXSPDL-CEVXTBJXSA-N 0 0 348.468 3.796 40 30 EHEBRN COc1ccc([N+](=O)[O-])cc1C=NN=c1[nH]c2ccccc2s1 ZINC000059514229 564050896 /nfs/dbraw/zinc/05/08/96/564050896.db2.gz XQFDASMPQSNLQK-CXUHLZMHSA-N 0 0 328.353 3.659 40 30 EHEBRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000245240975 564052392 /nfs/dbraw/zinc/05/23/92/564052392.db2.gz VVSMJVQHDZUPIL-MJKWMGEKSA-N 0 0 344.451 3.629 40 30 EHEBRN C=CCN1C(=O)/C(=C\c2ccc(N3CCCC3)cc2C)SC1=S ZINC000015012235 564074197 /nfs/dbraw/zinc/07/41/97/564074197.db2.gz OIPRIVDSGKCEBK-FOWTUZBSSA-N 0 0 344.505 3.982 40 30 EHEBRN N#Cc1c(N)nc(SC2CCCC2)nc1Cc1cccc(F)c1 ZINC000223676820 564081761 /nfs/dbraw/zinc/08/17/61/564081761.db2.gz DTYJHOHCLFQBAI-UHFFFAOYSA-N 0 0 328.416 3.695 40 30 EHEBRN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C[C@H](O)[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000521205750 564089196 /nfs/dbraw/zinc/08/91/96/564089196.db2.gz AARNXMRADQFOEB-LTGKAUERSA-N 0 0 330.468 3.694 40 30 EHEBRN CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C ZINC000033654048 564129876 /nfs/dbraw/zinc/12/98/76/564129876.db2.gz LDWJOIJYCZNGFG-RGVLZGJSSA-N 0 0 328.485 3.529 40 30 EHEBRN Cc1sc(NC(=S)NC(=O)c2ccc(C)c(C)c2)c(C#N)c1C ZINC000000557859 564133438 /nfs/dbraw/zinc/13/34/38/564133438.db2.gz ACHGKQYCWZEANQ-UHFFFAOYSA-N 0 0 343.477 3.980 40 30 EHEBRN N#Cc1nn(-c2cccc(Cl)c2)nc1N1CC[C@H](c2ccccc2)C1 ZINC000256046887 564134719 /nfs/dbraw/zinc/13/47/19/564134719.db2.gz IRETWWIHQNBERM-HNNXBMFYSA-N 0 0 349.825 3.786 40 30 EHEBRN Cc1cc(C)cc(-n2nc(C#N)c(N3CC[C@H](c4ccccc4)C3)n2)c1 ZINC000256049019 564134725 /nfs/dbraw/zinc/13/47/25/564134725.db2.gz XRQCKGFPLPIUNL-SFHVURJKSA-N 0 0 343.434 3.750 40 30 EHEBRN C=C1C(=O)O[C@H]2C=C(C)C[C@H]3C=C(CCC=C(C)CC[C@@H]12)C(=O)O3 ZINC000263601137 1029714981 /nfs/dbraw/zinc/71/49/81/1029714981.db2.gz KTYZKXFERQUCPX-BZSNNMDCSA-N 0 0 328.408 3.793 40 30 biogenic,in-vitro EHEBRN CCOc1cc2c(cc1O)/C(=N\O)C[C@H]1[C@H]3CC[C@H](O)[C@]3(C)CC[C@H]21 ZINC000102845999 219234803 /nfs/dbraw/zinc/23/48/03/219234803.db2.gz SMKGGPJGMFBQDP-FVWQIKEISA-N 0 0 345.439 3.644 40 30 EHEBRN CC(=O)C(C(C)=O)=C1Nc2cc(C(C)C)cc(Br)c2O1 ZINC000040545661 213345609 /nfs/dbraw/zinc/34/56/09/213345609.db2.gz NNVIANIAOMJGPQ-UHFFFAOYSA-N 0 0 338.201 3.766 40 30 EHEBRN COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCC[C@H](C)[C@H]1C ZINC000040107319 213266124 /nfs/dbraw/zinc/26/61/24/213266124.db2.gz HYTMBMKVNRHTFC-UXLLHSPISA-N 0 0 344.455 3.667 40 30 EHEBRN C=CCc1cc(C(=O)NCc2ccccc2OCC)ccc1OC ZINC000038753148 213223108 /nfs/dbraw/zinc/22/31/08/213223108.db2.gz MCSLFSXIHRXTDY-UHFFFAOYSA-N 0 0 325.408 3.752 40 30 EHEBRN C#CCN1C(=O)S/C(=C/c2c(OCC)ccc3ccccc32)C1=O ZINC000000979912 209697344 /nfs/dbraw/zinc/69/73/44/209697344.db2.gz LPNLRZJHCGSQBQ-SFQUDFHCSA-N 0 0 337.400 3.908 40 30 EHEBRN CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@]45O[C@H]4C(=O)CC[C@]5(C)[C@H]3CC[C@]12C ZINC000036433992 213098314 /nfs/dbraw/zinc/09/83/14/213098314.db2.gz ZVCXCQZLHLJONJ-JCGLPCRQSA-N 0 0 346.467 3.661 40 30 EHEBRN CC[C@H](C)NC(=O)CSc1nc2c(C)cc(C)cc2cc1C#N ZINC000000416729 209580326 /nfs/dbraw/zinc/58/03/26/209580326.db2.gz ROQWELCNTUVWFM-ZDUSSCGKSA-N 0 0 327.453 3.730 40 30 EHEBRN C=CCc1cc(C(=O)NCc2ccccc2-n2ccnc2)ccc1OC ZINC000022515406 212303251 /nfs/dbraw/zinc/30/32/51/212303251.db2.gz LSBVUYWJFSRCSD-UHFFFAOYSA-N 0 0 347.418 3.539 40 30 EHEBRN C#CCOC(=O)c1cccc(OC(=O)c2cccc3ccccc32)c1 ZINC000216776830 241210065 /nfs/dbraw/zinc/21/00/65/241210065.db2.gz IDKOYBGHIOJDKH-UHFFFAOYSA-N 0 0 330.339 3.849 40 30 EHEBRN C[N+](C)([O-])CCC[C@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 ZINC000022055003 212274417 /nfs/dbraw/zinc/27/44/17/212274417.db2.gz DIOGFDCEWUUSBQ-HXUWFJFHSA-N 0 0 340.398 3.826 40 30 world EHEBRN C=CCNC(=O)c1ccc(OCC)c(COc2ccc(C)cc2)c1 ZINC000224463893 241762914 /nfs/dbraw/zinc/76/29/14/241762914.db2.gz KDXJHRZZLDRMTM-UHFFFAOYSA-N 0 0 325.408 3.889 40 30 EHEBRN CCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C#N ZINC000225808656 242046531 /nfs/dbraw/zinc/04/65/31/242046531.db2.gz DXMPAKZSDHDXEO-KUHUBIRLSA-N 0 0 330.428 3.881 40 30 EHEBRN CCSc1nc2n(n1)[C@H](c1cccs1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000019959590 212090814 /nfs/dbraw/zinc/09/08/14/212090814.db2.gz BDBUBGRUZFQMFT-LKFCYVNXSA-N 0 0 346.481 3.720 40 30 EHEBRN C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1 ZINC000008073624 210890630 /nfs/dbraw/zinc/89/06/30/210890630.db2.gz FGVBFHFVSSNJMA-UHFFFAOYSA-N 0 0 338.407 3.642 40 30 EHEBRN CC(C)(C)c1cc(C2CCCCC2)cc(/C=N/NC(N)=S)c1O ZINC000005481497 210472839 /nfs/dbraw/zinc/47/28/39/210472839.db2.gz NYZJAIPZNMECRI-RGVLZGJSSA-N 0 0 333.501 3.905 40 30 EHEBRN CC1(C)Cc2c(cc(C#N)c(=O)n2-c2ccc(Cl)cc2)C(=O)C1 ZINC000000034617 208553116 /nfs/dbraw/zinc/55/31/16/208553116.db2.gz NDBMCNDZDHGRRE-UHFFFAOYSA-N 0 0 326.783 3.518 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)[C@@H](C)[C@]12C ZINC000118925721 221204052 /nfs/dbraw/zinc/20/40/52/221204052.db2.gz JLOPYNSMWUXMEO-IQGPPQFQSA-N 0 0 344.495 3.940 40 30 EHEBRN CCCCCCCCCNC(=O)C(=O)NCc1ccc(Cl)cc1 ZINC000409258881 257873039 /nfs/dbraw/zinc/87/30/39/257873039.db2.gz VWVZWMWNUNKQRR-UHFFFAOYSA-N 0 0 338.879 3.823 40 30 EHEBRN COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(C#N)cc2)C(=O)O1 ZINC000409003435 257882770 /nfs/dbraw/zinc/88/27/70/257882770.db2.gz GGWJVRZNKJPWGZ-NVNXTCNLSA-N 0 0 338.750 3.565 40 30 EHEBRN Cc1cc(-c2csc(N=NCc3ccc(O)cc3)n2)ccc1F ZINC000028465488 257855566 /nfs/dbraw/zinc/85/55/66/257855566.db2.gz ZFJNGPJKMIRBFC-DJKKODMXSA-N 0 0 327.384 3.831 40 30 EHEBRN COc1cccc(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1 ZINC000007742308 258012524 /nfs/dbraw/zinc/01/25/24/258012524.db2.gz FYUOPEYJDUMCMY-CSKARUKUSA-N 0 0 328.364 3.617 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccccc2)s1 ZINC000016007906 519088498 /nfs/dbraw/zinc/08/84/98/519088498.db2.gz NPLUUCPMMSGXPM-GFCCVEGCSA-N 0 0 335.454 3.612 40 30 EHEBRN CC/N=C1/S/C(=C/c2ccc(N(CC)CC)cc2)C(=O)N1CC ZINC000033294114 520205280 /nfs/dbraw/zinc/20/52/80/520205280.db2.gz XDMVYAMPPPJNRG-BBDGVTCJSA-N 0 0 331.485 3.845 40 30 EHEBRN CC1=C[C@@H](CC#N)[C@H](C(C)C)C[C@H]1CC(=O)NCc1ccccn1 ZINC000030882533 520882235 /nfs/dbraw/zinc/88/22/35/520882235.db2.gz XRIGZLAFTDTUFI-AOIWGVFYSA-N 0 0 325.456 3.856 40 30 biogenic,in-vitro EHEBRN COc1ccc(/C=C/C(C[C@H](NO)c2ccc(OC)cc2)=N\O)cc1 ZINC000100695917 523405178 /nfs/dbraw/zinc/40/51/78/523405178.db2.gz NJAQMAVGELKCCS-CFGMYTOSSA-N 0 0 342.395 3.657 40 30 EHEBRN COc1ccc(CN/N=C/c2cccc(Br)c2)cc1OC ZINC000020195948 524018167 /nfs/dbraw/zinc/01/81/67/524018167.db2.gz ZCZHGPVUOHIALC-VCHYOVAHSA-N 0 0 349.228 3.590 40 30 EHEBRN CCc1ccc([C@H]2[C@H](C=O)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000218669484 536194914 /nfs/dbraw/zinc/19/49/14/536194914.db2.gz BTOUIDOWHDNYCC-BZSNNMDCSA-N 0 0 348.851 3.657 40 30 EHEBRN O=C1C=C(Nc2ccc(Br)cc2)c2ccccc2C1=O ZINC000001625332 563397850 /nfs/dbraw/zinc/39/78/50/563397850.db2.gz KUPUNXIKYHJSFU-UHFFFAOYSA-N 0 0 328.165 3.668 40 30 EHEBRN COc1cc(OC)c(C=NNc2nc3ccccc3[nH]2)cc1Cl ZINC000408586953 563486645 /nfs/dbraw/zinc/48/66/45/563486645.db2.gz DFPAOMIGAGAPSJ-GIJQJNRQSA-N 0 0 330.775 3.680 40 30 EHEBRN COc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3)NC2=O)cc1 ZINC000005214550 563522835 /nfs/dbraw/zinc/52/28/35/563522835.db2.gz VSAGMEZNFORFFX-WJDWOHSUSA-N 0 0 340.404 3.595 40 30 EHEBRN COCCN1C(=O)/C(=C\c2ccsc2)S/C1=N\c1ccccc1 ZINC000005660842 563544042 /nfs/dbraw/zinc/54/40/42/563544042.db2.gz QWELRPCWRVMYBZ-ODVGHASUSA-N 0 0 344.461 3.999 40 30 EHEBRN C=CCSC1=N/C(=C\c2cc(Cl)cc(OC)c2O)C(=O)S1 ZINC000015016426 563772370 /nfs/dbraw/zinc/77/23/70/563772370.db2.gz GOZNEDKJGSLHQU-POHAHGRESA-N 0 0 341.841 3.944 40 30 EHEBRN CCCc1ccc(S(=O)(=O)N/N=C(\C)[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000017070530 563832758 /nfs/dbraw/zinc/83/27/58/563832758.db2.gz HTVCQQBVBMJBTE-CXKPETEKSA-N 0 0 334.485 3.730 40 30 EHEBRN CCCC1=N[C@@H](S)NC(C(=O)Nc2c(C)cccc2C)=C1CC ZINC000031820262 563913122 /nfs/dbraw/zinc/91/31/22/563913122.db2.gz MLQHAAOMWSJADT-GOSISDBHSA-N 0 0 331.485 3.964 40 30 EHEBRN CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1C#N ZINC000225793913 563967549 /nfs/dbraw/zinc/96/75/49/563967549.db2.gz PWNFXUNWWHQMGD-LJQANCHMSA-N 0 0 332.444 3.983 40 30 EHEBRN OCCSc1nc2ccc(/N=C\c3ccccc3O)cc2s1 ZINC000104213514 563983546 /nfs/dbraw/zinc/98/35/46/563983546.db2.gz UAFACBBWDIKVJR-YVLHZVERSA-N 0 0 330.434 3.837 40 30 EHEBRN C=CCN(c1ccccc1CC)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224743260 563994849 /nfs/dbraw/zinc/99/48/49/563994849.db2.gz BFRVJUBSEZULJP-UHFFFAOYSA-N 0 0 346.408 3.539 40 30 EHEBRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000224908016 563995183 /nfs/dbraw/zinc/99/51/83/563995183.db2.gz KWKMPRJLIYJLFN-UHFFFAOYSA-N 0 0 325.792 3.860 40 30 EHEBRN Oc1ccc(/C=N\C2CCCCC2)cc1I ZINC000408904094 564007894 /nfs/dbraw/zinc/00/78/94/564007894.db2.gz DOTFSVHBQCTYGV-DHDCSXOGSA-N 0 0 329.181 3.748 40 30 EHEBRN C(=N/c1ccc(N2CCOCC2)cc1)\c1ccc(N2CCCC2)cc1 ZINC000408931905 564008077 /nfs/dbraw/zinc/00/80/77/564008077.db2.gz RWDKPOWGYSQIHZ-OQKWZONESA-N 0 0 335.451 3.874 40 30 EHEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cccn3CC)S2)cc1 ZINC000408932362 564008129 /nfs/dbraw/zinc/00/81/29/564008129.db2.gz WEQYPYLYAZVKQA-VBKFSLOCSA-N 0 0 325.437 3.962 40 30 EHEBRN C=CCN1C(=O)N/C(=C/c2ccc(Sc3ccc(C)cc3)o2)C1=O ZINC000409136636 564010469 /nfs/dbraw/zinc/01/04/69/564010469.db2.gz SINQUQVGDUNSTD-RVDMUPIBSA-N 0 0 340.404 3.818 40 30 EHEBRN Cc1ccc(CN=Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 ZINC000005698463 564032950 /nfs/dbraw/zinc/03/29/50/564032950.db2.gz PLBMLMMOSWGXNX-RGVLZGJSSA-N 0 0 338.798 3.640 40 30 EHEBRN C=CCSc1nnc2c(n1)O[C@H](c1ccc[nH]1)Nc1ccccc1-2 ZINC000005480646 564070596 /nfs/dbraw/zinc/07/05/96/564070596.db2.gz QFDOPGCIPKOGOH-OAHLLOKOSA-N 0 0 337.408 3.648 40 30 EHEBRN C=C(C)COc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2C)c1 ZINC000219779346 564084157 /nfs/dbraw/zinc/08/41/57/564084157.db2.gz HCNLHEVFORQMSR-UHFFFAOYSA-N 0 0 339.391 3.989 40 30 EHEBRN C=C(C)COc1cccc(C(=O)NCCCN(C)c2ccccc2)c1 ZINC000219794711 564084170 /nfs/dbraw/zinc/08/41/70/564084170.db2.gz CQGJNVLSJGOIIV-UHFFFAOYSA-N 0 0 338.451 3.898 40 30 EHEBRN Oc1ccc(/C=N/NCc2ccc(Cl)cc2)cc1Br ZINC000010118698 564127682 /nfs/dbraw/zinc/12/76/82/564127682.db2.gz PDILYNVMCWKMPH-GIJQJNRQSA-N 0 0 339.620 3.932 40 30 EHEBRN C=CCOc1ccc(/C=N\OCC(=O)Nc2ccccc2)cc1Cl ZINC000033382617 564129896 /nfs/dbraw/zinc/12/98/96/564129896.db2.gz CEOSICGSABKHRM-NDENLUEZSA-N 0 0 344.798 3.894 40 30 EHEBRN CN(C)CC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000408528237 564133655 /nfs/dbraw/zinc/13/36/55/564133655.db2.gz UQUKLEAIBXGLGY-UHFFFAOYSA-N 0 0 345.402 3.985 40 30 EHEBRN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C#N)[C@H]2c2cccc(Cl)c2)cc1 ZINC000252515098 564133779 /nfs/dbraw/zinc/13/37/79/564133779.db2.gz HABCYFGCFVRUEK-BRWVUGGUSA-N 0 0 331.824 3.728 40 30 EHEBRN COc1ccccc1/C=C/C=N\N1CCN(Cc2ccc(C)cc2)CC1 ZINC000028350766 564150998 /nfs/dbraw/zinc/15/09/98/564150998.db2.gz YHOKILMBDHHKIH-HATGEPTDSA-N 0 0 349.478 3.820 40 30 EHEBRN C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H]3C=C(CC/C=C(\C)CC[C@H]12)C(=O)O3 ZINC000144803173 565200089 /nfs/dbraw/zinc/20/00/89/565200089.db2.gz KTYZKXFERQUCPX-QLODZUBGSA-N 0 0 328.408 3.793 40 30 biogenic,in-vitro EHEBRN C=C1C(=O)O[C@@H]2C=C(C)C[C@H]3C=C(CCC=C(C)CC[C@H]12)C(=O)O3 ZINC000263601140 1037240695 /nfs/dbraw/zinc/24/06/95/1037240695.db2.gz KTYZKXFERQUCPX-RCCFBDPRSA-N 0 0 328.408 3.793 40 30 biogenic,in-vitro EHEBRN Cc1c(/N=C\c2c[nH]c3ccccc23)c(=O)n(-c2ccccc2)n1C ZINC000100509831 219101174 /nfs/dbraw/zinc/10/11/74/219101174.db2.gz ARNAILKDEILBEV-XKZIYDEJSA-N 0 0 330.391 3.716 40 30 EHEBRN Cc1ccc(S(=O)(=O)N/N=C2\C[C@H]3CC[C@@H]2c2ccccc23)cc1 ZINC000043761755 213596839 /nfs/dbraw/zinc/59/68/39/213596839.db2.gz AZHKYGPUGQHNLW-BTHIWHLCSA-N 0 0 340.448 3.694 40 30 EHEBRN O=C1C=C(Nc2ccc3ccccc3c2[N+](=O)[O-])c2ccccc2C1=O ZINC000104108575 219346926 /nfs/dbraw/zinc/34/69/26/219346926.db2.gz UPVDXMMLFJJSTE-UHFFFAOYSA-N 0 0 344.326 3.966 40 30 EHEBRN N#Cc1ccc(NCc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000039956398 213246271 /nfs/dbraw/zinc/24/62/71/213246271.db2.gz WNWSSKBHMAYRRM-UHFFFAOYSA-N 0 0 332.157 3.841 40 30 EHEBRN Cc1ccnc(-n2nc(-c3cccc(C(F)(F)F)c3)c(C#N)c2N)c1 ZINC000039955231 213246031 /nfs/dbraw/zinc/24/60/31/213246031.db2.gz YGHNRJYUECLPGT-UHFFFAOYSA-N 0 0 343.312 3.715 40 30 EHEBRN C=CCNC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1OC ZINC000022614224 212311344 /nfs/dbraw/zinc/31/13/44/212311344.db2.gz GLSNFRVGGLPNQA-UHFFFAOYSA-N 0 0 344.798 3.517 40 30 EHEBRN O/N=C\c1cc(Cl)c(OCc2cccnc2)c(Br)c1 ZINC000216910566 241220152 /nfs/dbraw/zinc/22/01/52/241220152.db2.gz ZVQPLBWALXXLKI-IDUWFGFVSA-N 0 0 341.592 3.885 40 30 EHEBRN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](C#N)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000218533233 241330897 /nfs/dbraw/zinc/33/08/97/241330897.db2.gz QXSVQYIHIIZGRS-ULQDDVLXSA-N 0 0 331.824 3.728 40 30 EHEBRN C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224703582 241775045 /nfs/dbraw/zinc/77/50/45/241775045.db2.gz QLGPIHSRXNPCDL-UHFFFAOYSA-N 0 0 337.828 3.730 40 30 EHEBRN C=CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000224907870 241783062 /nfs/dbraw/zinc/78/30/62/241783062.db2.gz SKJVDEYCNTZVMZ-UHFFFAOYSA-N 0 0 325.792 3.860 40 30 EHEBRN C=CCN(c1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000224907739 241783281 /nfs/dbraw/zinc/78/32/81/241783281.db2.gz SDMOUAILOOGJFD-UHFFFAOYSA-N 0 0 325.792 3.860 40 30 EHEBRN Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(CC#N)cc2)cc1 ZINC000225640717 241965151 /nfs/dbraw/zinc/96/51/51/241965151.db2.gz LDVFGSJFXRGYQS-OAHLLOKOSA-N 0 0 339.464 3.815 40 30 EHEBRN CCCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)c(C#N)c1 ZINC000225836681 242057061 /nfs/dbraw/zinc/05/70/61/242057061.db2.gz UYYGWYXZBZYUPF-LJQANCHMSA-N 0 0 330.428 3.881 40 30 EHEBRN COc1ccc2c(c1)O[C@@H](C)C/C2=N\OC(=O)c1cccc(F)c1 ZINC000021006050 212198805 /nfs/dbraw/zinc/19/88/05/212198805.db2.gz DDDABDPISZGTQJ-NABPABCNSA-N 0 0 329.327 3.566 40 30 EHEBRN C=CCOc1ccc(NC(=O)CSc2ccc(OC)cc2)cc1 ZINC000020050622 212098083 /nfs/dbraw/zinc/09/80/83/212098083.db2.gz BILJFZSLXIAZQL-UHFFFAOYSA-N 0 0 329.421 3.991 40 30 EHEBRN COc1cc(/C=N/N=C(/C)c2ccc(F)cc2)cc(OC)c1OC ZINC000017023448 211945317 /nfs/dbraw/zinc/94/53/17/211945317.db2.gz MHSJXUSWGFJHBC-PXQYURKDSA-N 0 0 330.359 3.695 40 30 EHEBRN C=CCOc1ccccc1NC(=O)c1c(C)onc1-c1ccncc1 ZINC000012204232 211319733 /nfs/dbraw/zinc/31/97/33/211319733.db2.gz IKHAPPKMEGRBMR-UHFFFAOYSA-N 0 0 335.363 3.862 40 30 EHEBRN CC(C)Cc1csc(C(C#N)=NNc2ccccc2[N+](=O)[O-])n1 ZINC000095117464 218281365 /nfs/dbraw/zinc/28/13/65/218281365.db2.gz MGICTLCYYFAZPA-CPNJWEJPSA-N 0 0 329.385 3.590 40 30 EHEBRN COC1=C(C)[C@H]2CC(=O)O[C@@H]3C[C@H]4CCCC[C@]4(C)[C@@H](C1=O)[C@]32C ZINC000008659488 210977909 /nfs/dbraw/zinc/97/79/09/210977909.db2.gz GQMXVFMCJJFXBG-JCKPQHEUSA-N 0 0 332.440 3.644 40 30 EHEBRN COc1ccc(-c2c(C#N)c(=S)[nH]c3c2CCCC3)cc1OC ZINC000006721879 210690347 /nfs/dbraw/zinc/69/03/47/210690347.db2.gz ZWNPEHCEGJWZML-UHFFFAOYSA-N 0 0 326.421 3.805 40 30 EHEBRN Cc1oc(/C=N/NC(=S)Nc2ccccc2)cc1Br ZINC000006265981 210609865 /nfs/dbraw/zinc/60/98/65/210609865.db2.gz AVBXYNHWQIHXGP-OVCLIPMQSA-N 0 0 338.230 3.671 40 30 EHEBRN C=CC(=O)N1C/C(=C/c2ccccc2)C(=O)/C(=C\c2ccccc2)C1 ZINC000005891988 210553784 /nfs/dbraw/zinc/55/37/84/210553784.db2.gz FYXRGLSUYBQDPY-AXPXABNXSA-N 0 0 329.399 3.751 40 30 EHEBRN C=CCOc1ccc(CN=Nc2ccccn2)cc1Br ZINC000408744269 257889428 /nfs/dbraw/zinc/88/94/28/257889428.db2.gz ZGTYQOCXARUYFX-WOJGMQOQSA-N 0 0 332.201 3.855 40 30 EHEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(N3CCCC3)cc2F)c1 ZINC000408594123 257895009 /nfs/dbraw/zinc/89/50/09/257895009.db2.gz SJVSMQCPLPKJLX-UDWIEESQSA-N 0 0 343.358 3.885 40 30 EHEBRN CCOc1ccc(/C=N/NCc2ccccc2OC)c(OCC)c1 ZINC000020762024 257856130 /nfs/dbraw/zinc/85/61/30/257856130.db2.gz IFQFJEAWLVHKHF-KGENOOAVSA-N 0 0 328.412 3.616 40 30 EHEBRN C[C@H]1C[C@H]2[C@@H]3CC/C(=C/CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000004538942 257911442 /nfs/dbraw/zinc/91/14/42/257911442.db2.gz URZZKSAZQICNQI-IRLIXZRPSA-N 0 0 344.495 3.654 40 30 EHEBRN CC(=NNc1nc(C)cc(=O)[nH]1)c1ccc(Oc2ccccc2)cc1 ZINC000026507841 518452628 /nfs/dbraw/zinc/45/26/28/518452628.db2.gz NLESWGDZOIHQFM-HMAPJEAMSA-N 0 0 334.379 3.707 40 30 EHEBRN C/C(=N/OCc1coc(-c2ccccc2Cl)n1)c1cnn(C)c1 ZINC000060356025 518457523 /nfs/dbraw/zinc/45/75/23/518457523.db2.gz JIABDPLRCDHRRF-JAIQZWGSSA-N 0 0 330.775 3.669 40 30 EHEBRN C=CCc1cc(C(=O)N[C@@H](C)COc2ccc(C)cc2)ccc1OC ZINC000218657618 534411521 /nfs/dbraw/zinc/41/15/21/534411521.db2.gz LFRHAGJHJZIYLZ-INIZCTEOSA-N 0 0 339.435 3.929 40 30 EHEBRN CCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C#N ZINC000225808678 535274841 /nfs/dbraw/zinc/27/48/41/535274841.db2.gz DXMPAKZSDHDXEO-IFXJQAMLSA-N 0 0 330.428 3.881 40 30 EHEBRN CCN(CC)C(=S)SN1CCC(C#N)(c2ccccc2)CC1 ZINC000006779448 563586040 /nfs/dbraw/zinc/58/60/40/563586040.db2.gz XWOPYPOLUARBKJ-UHFFFAOYSA-N 0 0 333.526 3.819 40 30 EHEBRN O=C1c2cccc(Cl)c2C/C1=C\N1CCN(c2ccccc2)CC1 ZINC000001562747 563392080 /nfs/dbraw/zinc/39/20/80/563392080.db2.gz LMQPEFFOPZAEAT-CCEZHUSRSA-N 0 0 338.838 3.785 40 30 EHEBRN O=C1C=C(CCC2=CC(=O)c3ccccc3C2=O)C(=O)c2ccccc21 ZINC000001589537 563395100 /nfs/dbraw/zinc/39/51/00/563395100.db2.gz JDEWXUIKOKUSAO-UHFFFAOYSA-N 0 0 342.350 3.778 40 30 EHEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(Br)s2)c1 ZINC000408594152 563493735 /nfs/dbraw/zinc/49/37/35/563493735.db2.gz SOHSUWJPZGBFLJ-VGOFMYFVSA-N 0 0 341.186 3.970 40 30 EHEBRN Cc1ccc(C(=O)/C=C/c2cn(CCC(N)=O)c3ccccc23)cc1 ZINC000408691841 563571960 /nfs/dbraw/zinc/57/19/60/563571960.db2.gz TXYWLBROWNGZHC-ZHACJKMWSA-N 0 0 332.403 3.721 40 30 EHEBRN COc1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3OC)S2)cc1 ZINC000007275670 563599039 /nfs/dbraw/zinc/59/90/39/563599039.db2.gz MLZGDNYSAFHBSG-WJDWOHSUSA-N 0 0 340.404 3.595 40 30 EHEBRN O=C(C=CNCC(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000100661831 563982699 /nfs/dbraw/zinc/98/26/99/563982699.db2.gz RUCFERPZNMQJAP-KHPPLWFESA-N 0 0 344.208 3.618 40 30 EHEBRN COc1ccccc1C(=O)/C=C/c1cc(OC)c(OC)cc1OC ZINC000072408118 563992281 /nfs/dbraw/zinc/99/22/81/563992281.db2.gz UHEDFYFRQUCDLX-MDZDMXLPSA-N 0 0 328.364 3.617 40 30 EHEBRN C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000224669288 563994607 /nfs/dbraw/zinc/99/46/07/563994607.db2.gz LFNFYPAMBXHHJY-UHFFFAOYSA-N 0 0 337.828 3.730 40 30 EHEBRN C=CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224711727 563994723 /nfs/dbraw/zinc/99/47/23/563994723.db2.gz XKBGPLFGMGPJDE-UHFFFAOYSA-N 0 0 325.792 3.860 40 30 EHEBRN C=CCN(c1ccc(CC)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000224856677 563995034 /nfs/dbraw/zinc/99/50/34/563995034.db2.gz DAEMMAQRZJKWLP-UHFFFAOYSA-N 0 0 331.437 3.639 40 30 EHEBRN C=CCOc1ccc(NC(=S)NC2(CCOC)CCCC2)cc1 ZINC000225868269 563996024 /nfs/dbraw/zinc/99/60/24/563996024.db2.gz PRQZYHXBXZTXPB-UHFFFAOYSA-N 0 0 334.485 3.887 40 30 EHEBRN CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1O ZINC000408911917 564007979 /nfs/dbraw/zinc/00/79/79/564007979.db2.gz OYZSLMJEHAYNKO-MFOYZWKCSA-N 0 0 335.747 3.799 40 30 EHEBRN CCOc1c(Cl)cc(/C=C2/S/C(=N/C)N(C)C2=O)cc1Cl ZINC000408929534 564008068 /nfs/dbraw/zinc/00/80/68/564008068.db2.gz KQYBGRGIZBMSKS-SQNOIRBYSA-N 0 0 345.251 3.924 40 30 EHEBRN CCCOc1c(Br)cc(/C=N/O)cc1Br ZINC000409049384 564009193 /nfs/dbraw/zinc/00/91/93/564009193.db2.gz WLUQSMFMBAPASB-AWNIVKPZSA-N 0 0 337.011 3.809 40 30 EHEBRN C#CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(C(C)C)C1=O ZINC000409061132 564009390 /nfs/dbraw/zinc/00/93/90/564009390.db2.gz VXGJSEVASLMSET-ZROIWOOFSA-N 0 0 335.812 3.797 40 30 EHEBRN C=CCn1nnnc1NCc1ccc2c(c1)c1ccccc1n2CC ZINC000006871207 564015218 /nfs/dbraw/zinc/01/52/18/564015218.db2.gz NFNFIGLALLEPJH-UHFFFAOYSA-N 0 0 332.411 3.599 40 30 EHEBRN Cc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1C(=O)C[C@H](C)CC1=N2 ZINC000014164938 564021561 /nfs/dbraw/zinc/02/15/61/564021561.db2.gz BUUZDCUFAUGVJR-JDNHERCYSA-N 0 0 328.803 3.508 40 30 EHEBRN Cc1cccc([C@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ncnn32)c1 ZINC000014165190 564021619 /nfs/dbraw/zinc/02/16/19/564021619.db2.gz JVJRGVHDUSPTSG-KUHUBIRLSA-N 0 0 346.390 3.595 40 30 EHEBRN CC[NH+](CC)CCS/C(=N\[O-])c1ccc(Br)cc1 ZINC000038811202 564043010 /nfs/dbraw/zinc/04/30/10/564043010.db2.gz OUPYOOXTKDZJPH-SQFISAMPSA-N 0 0 331.279 3.660 40 30 EHEBRN CC1CCN(c2c(N)cc(C#N)n2Cc2ccccc2Cl)CC1 ZINC000225866761 564049873 /nfs/dbraw/zinc/04/98/73/564049873.db2.gz YLZKTKYOJRHNHL-UHFFFAOYSA-N 0 0 328.847 3.880 40 30 EHEBRN COc1ccc(/C=C2/C(=O)ON=C2c2ccc(Cl)cc2)c(OC)c1 ZINC000059483084 564050796 /nfs/dbraw/zinc/05/07/96/564050796.db2.gz REQGTWZYQCONQK-OQLLNIDSSA-N 0 0 343.766 3.702 40 30 EHEBRN C=CCOc1cccc(NC(=S)NCc2ccc(OC)cc2)c1 ZINC000063790934 564066441 /nfs/dbraw/zinc/06/64/41/564066441.db2.gz FNUHMRHFCIRAEY-UHFFFAOYSA-N 0 0 328.437 3.747 40 30 EHEBRN C[C@](O)(C(=O)N(O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000006442046 564081786 /nfs/dbraw/zinc/08/17/86/564081786.db2.gz XUTSAJJKKLBVDN-OAHLLOKOSA-N 0 0 326.179 3.623 40 30 EHEBRN CCc1ccc([C@@H]2[C@H](C#N)[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000242463968 564137729 /nfs/dbraw/zinc/13/77/29/564137729.db2.gz DQVARHGFUIUDEZ-IPMKNSEASA-N 0 0 325.433 3.637 40 30 EHEBRN Clc1ccc(OCC#CI)c(Cl)c1 ZINC000098175236 219086603 /nfs/dbraw/zinc/08/66/03/219086603.db2.gz ORLXZGKYNAAJMT-UHFFFAOYSA-N 0 0 326.948 3.768 40 30 EHEBRN CCOC(=O)[C@@H](C#N)[C@@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000100737515 219104802 /nfs/dbraw/zinc/10/48/02/219104802.db2.gz WJDUCWWSKQGQHE-BZSNNMDCSA-N 0 0 329.440 3.753 40 30 EHEBRN O=C(O/N=C1\c2ccccc2-c2nc3ccccc3nc21)c1ccco1 ZINC000100766215 219105522 /nfs/dbraw/zinc/10/55/22/219105522.db2.gz WBSWWONMTZEOGS-PTGBLXJZSA-N 0 0 341.326 3.813 40 30 in-vitro EHEBRN CCOC(=O)c1sc2nc(-c3ccccc3)c(C)c(C#N)c2c1N ZINC000035324068 213021816 /nfs/dbraw/zinc/02/18/16/213021816.db2.gz GACAWOJPNYWVPS-UHFFFAOYSA-N 0 0 337.404 3.902 40 30 EHEBRN CCN(CC)C(=O)CSc1nc2cc(C)c(C)cc2cc1C#N ZINC000000412234 209575793 /nfs/dbraw/zinc/57/57/93/209575793.db2.gz YWVVRMIMTQIHHT-UHFFFAOYSA-N 0 0 327.453 3.684 40 30 EHEBRN Cc1ccccc1OCCn1c(C#N)cc(N)c1Cc1ccccc1 ZINC000225862120 242066400 /nfs/dbraw/zinc/06/64/00/242066400.db2.gz XMJBOTIXKNXOSX-UHFFFAOYSA-N 0 0 331.419 3.920 40 30 EHEBRN COc1ccc(NC(=O)[C@@](C)(C#N)c2ccc(Cl)cc2)c(OC)c1 ZINC000225960986 242081584 /nfs/dbraw/zinc/08/15/84/242081584.db2.gz UZBCSMHZGOLULI-SFHVURJKSA-N 0 0 344.798 3.777 40 30 EHEBRN C=CCOC(=O)/C=C/c1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1 ZINC000226257288 242093525 /nfs/dbraw/zinc/09/35/25/242093525.db2.gz HVFAJVAOOFATFZ-RMKNXTFCSA-N 0 0 329.308 3.606 40 30 EHEBRN CC(C)c1ccc([C@@H]2[C@@H](C#N)C(=O)Nc3nc4ccccc4n32)cc1 ZINC000020637424 212157994 /nfs/dbraw/zinc/15/79/94/212157994.db2.gz CTWFWDYCRFLXQL-CRAIPNDOSA-N 0 0 330.391 3.841 40 30 EHEBRN C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)NCCn1nc(C)c(Cl)c1C)C2 ZINC000019578263 212046700 /nfs/dbraw/zinc/04/67/00/212046700.db2.gz NZDHBXFWDBFVML-KSSFIOAISA-N 0 0 335.879 3.652 40 30 EHEBRN CCOc1cc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)ccc1O ZINC000019095802 212000371 /nfs/dbraw/zinc/00/03/71/212000371.db2.gz IWPRRVSKUNQSTO-UHFFFAOYSA-N 0 0 347.374 3.679 40 30 EHEBRN C#CCCCCCCCCCCC[C@H](C[C@@H](O)CO)OC(C)=O ZINC000015270293 211811092 /nfs/dbraw/zinc/81/10/92/211811092.db2.gz FHGZOCAZNHYWAL-RTBURBONSA-N 0 0 326.477 3.586 40 30 endogenous,in-man EHEBRN CC(=O)N(Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1C#N ZINC000013997973 211667850 /nfs/dbraw/zinc/66/78/50/211667850.db2.gz GUIOFWRAAWBFIZ-UHFFFAOYSA-N 0 0 329.743 3.673 40 30 EHEBRN C/N=C1\Sc2nc3cc4c(cc3cc2CN1C1CCCC1)OCO4 ZINC000013511112 211569390 /nfs/dbraw/zinc/56/93/90/211569390.db2.gz SBDIHPWBCNKDJX-HNENSFHCSA-N 0 0 341.436 3.800 40 30 EHEBRN COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3C[C@H]4O[C@@]4(C(C)C)[C@H]4O[C@]43CC[C@@H]12 ZINC000005086734 210386114 /nfs/dbraw/zinc/38/61/14/210386114.db2.gz WNZDGJFVLRXZST-ZLVFLBSUSA-N 0 0 348.483 3.717 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC(=O)[C@]4(C)[C@H]3CC[C@]12C ZINC000118914660 221203109 /nfs/dbraw/zinc/20/31/09/221203109.db2.gz BLCAJJQPGLGJDA-DVFHKXEWSA-N 0 0 328.452 3.903 40 30 EHEBRN CC(=O)[C@@]12C[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1O2 ZINC000118917465 221203547 /nfs/dbraw/zinc/20/35/47/221203547.db2.gz AEJAEAUKXCTTKY-VNMDENKTSA-N 0 0 330.468 3.647 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C ZINC000118916616 221203666 /nfs/dbraw/zinc/20/36/66/221203666.db2.gz WKLSIBAACVYLOP-ZFPRXJIWSA-N 0 0 348.458 3.642 40 30 EHEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccc(O)c2)C1=O ZINC000409157987 257876948 /nfs/dbraw/zinc/87/69/48/257876948.db2.gz QWBMEGAGKRFPNV-CXUHLZMHSA-N 0 0 336.372 3.500 40 30 EHEBRN CCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OCC ZINC000409084838 257880505 /nfs/dbraw/zinc/88/05/05/257880505.db2.gz NADSPCLHDJJGAN-VBKFSLOCSA-N 0 0 337.375 3.829 40 30 EHEBRN Brc1ccccc1/N=C\c1ccc(N2CCOCC2)o1 ZINC000409017509 257882653 /nfs/dbraw/zinc/88/26/53/257882653.db2.gz XAFVKQNEHKDTRX-BOPFTXTBSA-N 0 0 335.201 3.629 40 30 EHEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3[N+](=O)[O-])S2)cc1 ZINC000408886860 257887019 /nfs/dbraw/zinc/88/70/19/257887019.db2.gz JHMWBEURUCPKDZ-GDNBJRDFSA-N 0 0 339.376 3.795 40 30 EHEBRN COCc1cc(C)nc(N=NCc2ccccc2OC(C)C)c1C#N ZINC000408600723 257894614 /nfs/dbraw/zinc/89/46/14/257894614.db2.gz FNCJEIYDXRRRPC-SRZZPIQSSA-N 0 0 338.411 3.641 40 30 EHEBRN CCOc1ccc(NC(=O)c2cc(C#N)cc(OC)c2OCC)cc1 ZINC000408583674 257895701 /nfs/dbraw/zinc/89/57/01/257895701.db2.gz WHGBUTMGQBNIHI-UHFFFAOYSA-N 0 0 340.379 3.617 40 30 EHEBRN CC1=C2C3=C(C(=O)CC(C)(C)C3)[C@H](c3ccc(Cl)cc3)N[C@H]2NN1 ZINC000016607980 257857370 /nfs/dbraw/zinc/85/73/70/257857370.db2.gz GOBFNXFQYFKPEV-SZMVWBNQSA-N 0 0 343.858 3.591 40 30 EHEBRN COc1cc(C=NNc2ccc(C(F)(F)F)cc2)cc2c1OCO2 ZINC000408931535 262505511 /nfs/dbraw/zinc/50/55/11/262505511.db2.gz MXBTWPWSCPKAQL-ZBKNUEDVSA-N 0 0 338.285 3.889 40 30 EHEBRN CCOC1(C(=O)Nc2ccc(OC(C)=O)cc2C#N)CCCCCC1 ZINC000225830878 535743975 /nfs/dbraw/zinc/74/39/75/535743975.db2.gz MHEYAAYDQYIJDX-UHFFFAOYSA-N 0 0 344.411 3.552 40 30 EHEBRN CC(=O)N(c1ccc(C)cc1)C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000001717348 563406532 /nfs/dbraw/zinc/40/65/32/563406532.db2.gz PUNWNYFAMITUOE-UHFFFAOYSA-N 0 0 339.778 3.878 40 30 EHEBRN C=CCOc1ccc(C(=O)OCC(=O)c2ccccc2)cc1OCC ZINC000408533175 563423324 /nfs/dbraw/zinc/42/33/24/563423324.db2.gz PZHNAAMUMHOPDU-UHFFFAOYSA-N 0 0 340.375 3.690 40 30 EHEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000408595068 563494274 /nfs/dbraw/zinc/49/42/74/563494274.db2.gz VNPVRIHQVLNVCQ-LZYBPNLTSA-N 0 0 335.703 3.707 40 30 EHEBRN COc1cc(OC)c(C=NNc2nc3ccccc3n2C)cc1Cl ZINC000408651125 563518588 /nfs/dbraw/zinc/51/85/88/563518588.db2.gz GOHFHIJHUSHPHZ-VXLYETTFSA-N 0 0 344.802 3.690 40 30 EHEBRN CC1(C)CC(=O)C2=C(C1)NC(=S)[C@@H](C#N)[C@H]2c1ccc(F)cc1 ZINC000005231366 563523649 /nfs/dbraw/zinc/52/36/49/563523649.db2.gz XKUKBYWGAGZROI-SWLSCSKDSA-N 0 0 328.412 3.623 40 30 EHEBRN COc1ccc(/C=C\C(=N/O)c2ccc(OC)c(OC)c2)cc1OC ZINC000008642507 563633990 /nfs/dbraw/zinc/63/39/90/563633990.db2.gz BZSHTKNCRMVXSF-UCWAMJPJSA-N 0 0 343.379 3.613 40 30 EHEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccncc2)S1 ZINC000408738925 563640326 /nfs/dbraw/zinc/64/03/26/563640326.db2.gz QCVPFSAGKXQCJM-ZROIWOOFSA-N 0 0 329.812 3.935 40 30 EHEBRN CCCOC1(NC(=O)c2ccccc2Cl)C(C)=CC(=O)C=C1C ZINC000016807561 563824509 /nfs/dbraw/zinc/82/45/09/563824509.db2.gz SXELWNPBFQJMGT-UHFFFAOYSA-N 0 0 333.815 3.668 40 30 EHEBRN O=C(Nc1ccc2ccc(Cl)cc2n1)C1(N2CCOCC2)CCC1 ZINC000328637161 563860732 /nfs/dbraw/zinc/86/07/32/563860732.db2.gz APQUUZHZCXISST-UHFFFAOYSA-N 0 0 345.830 3.731 40 30 EHEBRN COc1cc(/C=N\O)c(Br)cc1OCc1ccccc1 ZINC000013747585 563925658 /nfs/dbraw/zinc/92/56/58/563925658.db2.gz HMEUQDIDYJFNBI-MFOYZWKCSA-N 0 0 336.185 3.845 40 30 EHEBRN C=CCN(c1ccccc1CC)S(=O)(=O)c1ccc(OC)cc1 ZINC000224849434 563995007 /nfs/dbraw/zinc/99/50/07/563995007.db2.gz ATHJWZZFYJLUQI-UHFFFAOYSA-N 0 0 331.437 3.639 40 30 EHEBRN C=CCN(c1ccc(CC)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225104546 563995656 /nfs/dbraw/zinc/99/56/56/563995656.db2.gz USPJHEWWTOOYIV-UHFFFAOYSA-N 0 0 349.427 3.778 40 30 EHEBRN CC(C)NC(=O)COc1ccc(/C=N\c2cccc(Cl)c2)cc1 ZINC000408800512 564007316 /nfs/dbraw/zinc/00/73/16/564007316.db2.gz NHIXNPCXUDTTQI-JAIQZWGSSA-N 0 0 330.815 3.994 40 30 EHEBRN CN(C)c1oc(/C=N\c2cccc([N+](=O)[O-])c2)cc1Br ZINC000408842614 564007495 /nfs/dbraw/zinc/00/74/95/564007495.db2.gz BFMHRXDBTSWDKM-NVNXTCNLSA-N 0 0 338.161 3.767 40 30 EHEBRN C#CCn1cc(/C=C2/S/C(=N/CC)N(CC)C2=O)c2ccccc21 ZINC000408928978 564008083 /nfs/dbraw/zinc/00/80/83/564008083.db2.gz GFPOYTBDCGURNN-KFBYJWCXSA-N 0 0 337.448 3.587 40 30 EHEBRN Cc1ccc(/N=C\c2ccc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-] ZINC000409123188 564010358 /nfs/dbraw/zinc/01/03/58/564010358.db2.gz FNDQRWUBOYQREE-NDENLUEZSA-N 0 0 343.358 3.630 40 30 EHEBRN C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O ZINC000409137214 564010476 /nfs/dbraw/zinc/01/04/76/564010476.db2.gz USBPHKMWDBOLMC-LDADJPATSA-N 0 0 349.434 3.790 40 30 EHEBRN CN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225055882 564044585 /nfs/dbraw/zinc/04/45/85/564044585.db2.gz HBAGTPLEKFVPOR-UHFFFAOYSA-N 0 0 336.416 3.731 40 30 EHEBRN C=CCOc1ccc(CN(C)S(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000007246402 564060431 /nfs/dbraw/zinc/06/04/31/564060431.db2.gz LDPCLJVIWAVWKT-UHFFFAOYSA-N 0 0 345.464 3.689 40 30 EHEBRN CCNc1nc(Nc2ccc(NC(C)=O)cc2)cc(C(F)(F)F)n1 ZINC000329044427 564071896 /nfs/dbraw/zinc/07/18/96/564071896.db2.gz SXNGOGDNCYSSEE-UHFFFAOYSA-N 0 0 339.321 3.701 40 30 EHEBRN CC(=O)Nc1ccc(-c2c(C#N)c(N)c(C#N)c3c2CCCC3)cc1 ZINC000016321387 564081888 /nfs/dbraw/zinc/08/18/88/564081888.db2.gz FNNGUDNELOJOCD-UHFFFAOYSA-N 0 0 330.391 3.516 40 30 EHEBRN N#Cc1c(=O)[nH]c(=S)[nH]c1-c1ccc(OCc2ccccc2)cc1 ZINC000017070608 564116313 /nfs/dbraw/zinc/11/63/13/564116313.db2.gz HDDVNAUQQMDTFE-UHFFFAOYSA-N 0 0 335.388 3.962 40 30 EHEBRN C[C@@H]1C[C@@H](C)CN(c2c(N)cc(C#N)n2Cc2ccc(F)cc2)C1 ZINC000225868138 564150850 /nfs/dbraw/zinc/15/08/50/564150850.db2.gz LUSREIZEPXEFJT-ZIAGYGMSSA-N 0 0 326.419 3.612 40 30 EHEBRN CC(=O)C(=NNc1cccc(C)c1C)C(=O)Nc1ccc(Cl)cc1 ZINC000002663382 568417758 /nfs/dbraw/zinc/41/77/58/568417758.db2.gz NFDJJUFWZVIGBM-OQKWZONESA-N 0 0 343.814 3.952 40 30 EHEBRN CCOC(=O)[C@@H](C#N)[C@H](Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000100737510 219105140 /nfs/dbraw/zinc/10/51/40/219105140.db2.gz WJDUCWWSKQGQHE-KSZLIROESA-N 0 0 329.440 3.753 40 30 EHEBRN CC1(C)[C@H]2CC[C@]1(C)C(=O)C=C2OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004266957 210155960 /nfs/dbraw/zinc/15/59/60/210155960.db2.gz CHVRDANIMSLISG-SCLBCKFNSA-N 0 0 329.352 3.661 40 30 EHEBRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC=C2C(=O)CO ZINC000004025309 210101633 /nfs/dbraw/zinc/10/16/33/210101633.db2.gz WEOYXWGUTMJDSH-RNEDXHKXSA-N 0 0 328.452 3.616 40 30 biogenic EHEBRN CN(C)/C=N\c1cc2c(cc1Br)-c1ccccc1C2=O ZINC000104147752 219353112 /nfs/dbraw/zinc/35/31/12/219353112.db2.gz ZURKZTVVSYTSCL-NVMNQCDNSA-N 0 0 329.197 3.882 40 30 EHEBRN CC1=C/C(=N\c2cccc3c(/N=C4\C=C(C)C(=O)O4)cccc23)OC1=O ZINC000104392521 219383989 /nfs/dbraw/zinc/38/39/89/219383989.db2.gz ZAVKPEYNHNIRKS-KSTNYAOJSA-N 0 0 346.342 3.906 40 30 EHEBRN CCCN(CCC)O[S@](=O)c1ccc(C(=O)SCC)cc1 ZINC000001608624 209766735 /nfs/dbraw/zinc/76/67/35/209766735.db2.gz CNWURIGAWIKNJE-OAQYLSRUSA-N 0 0 329.487 3.656 40 30 EHEBRN C=CCN1C(=O)SC(=CNc2ccc(Br)cc2)C1=O ZINC000036636243 213106097 /nfs/dbraw/zinc/10/60/97/213106097.db2.gz SDGHHPSFDUAWRR-FLIBITNWSA-N 0 0 339.214 3.584 40 30 EHEBRN COc1ccc([C@H](C#N)NC23CC4CC(CC(C4)C2)C3)cc1OC ZINC000073257662 216370266 /nfs/dbraw/zinc/37/02/66/216370266.db2.gz HCPWOXIASSQVNR-SOZFHFLDSA-N 0 0 326.440 3.827 40 30 EHEBRN CCCCCCCC(=O)N1[C@H]2C[C@H]3CC[C@]2(CS1(=O)=O)C3(C)C ZINC000073351234 216380767 /nfs/dbraw/zinc/38/07/67/216380767.db2.gz JSPHNRUWCOHPAN-RVKKMQEKSA-N 0 0 341.517 3.714 40 30 EHEBRN C#CCOC(=O)/C=C/c1ccc(OCc2ccccc2F)c(OC)c1 ZINC000216891454 241217246 /nfs/dbraw/zinc/21/72/46/241217246.db2.gz KYOPEABUERLZGS-PKNBQFBNSA-N 0 0 340.350 3.603 40 30 EHEBRN C=CCOC(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000216887724 241217670 /nfs/dbraw/zinc/21/76/70/241217670.db2.gz YIWLRKYWPOARCH-KPKJPENVSA-N 0 0 339.347 3.916 40 30 EHEBRN C=CCOc1ccc(NC(=S)NCc2cccc(OC)c2)cc1 ZINC000225834871 242056350 /nfs/dbraw/zinc/05/63/50/242056350.db2.gz ZMLLHOLIQGNQNT-UHFFFAOYSA-N 0 0 328.437 3.747 40 30 EHEBRN Cc1ccc(COc2nn(Cc3ccccc3)c(N)c2C#N)cc1C ZINC000225839002 242058840 /nfs/dbraw/zinc/05/88/40/242058840.db2.gz BYQXZFVIKGAXRH-UHFFFAOYSA-N 0 0 332.407 3.581 40 30 EHEBRN Cc1ccc(Cc2nn(Cc3ccccc3Cl)c(N)c2C#N)cc1 ZINC000225839451 242059286 /nfs/dbraw/zinc/05/92/86/242059286.db2.gz MDPXCMGPMZYRKK-UHFFFAOYSA-N 0 0 336.826 3.938 40 30 EHEBRN CCCO[C@]1(C(=O)Nc2ccc(OC)cc2C#N)CCC[C@@H](C)C1 ZINC000225854918 242062900 /nfs/dbraw/zinc/06/29/00/242062900.db2.gz ASMUOXSGAQYDKU-AUUYWEPGSA-N 0 0 330.428 3.881 40 30 EHEBRN CCc1nc(SCc2ccc(Br)cc2)nc(N)c1C#N ZINC000225891621 242071918 /nfs/dbraw/zinc/07/19/18/242071918.db2.gz BLFLEBOXBDYJKL-UHFFFAOYSA-N 0 0 349.257 3.548 40 30 EHEBRN Cc1nc(SCc2ccc(Cl)cc2Cl)nc(N)c1C#N ZINC000225891035 242072081 /nfs/dbraw/zinc/07/20/81/242072081.db2.gz KYDNPIGEJGYYGL-UHFFFAOYSA-N 0 0 325.224 3.838 40 30 EHEBRN CC(C)COc1ccc(NC(=O)C(Cl)(Cl)Cl)c(C#N)c1 ZINC000225784256 242034426 /nfs/dbraw/zinc/03/44/26/242034426.db2.gz VJIMBPLNYXWFHJ-UHFFFAOYSA-N 0 0 335.618 3.902 40 30 EHEBRN N#Cc1cn(C(=O)c2ccccc2Br)c2ccccc12 ZINC000226361437 242102304 /nfs/dbraw/zinc/10/23/04/242102304.db2.gz PVECYVNYEYRZJL-UHFFFAOYSA-N 0 0 325.165 3.964 40 30 EHEBRN N#C[C@@H]1C(=O)Nc2nc3ccccc3n2[C@@H]1c1cccc2ccccc21 ZINC000020638019 212158787 /nfs/dbraw/zinc/15/87/87/212158787.db2.gz DAXIGOQJDYOASA-QFBILLFUSA-N 0 0 338.370 3.871 40 30 EHEBRN CCCc1ccc(C#N)c(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)n1 ZINC000261527062 244597137 /nfs/dbraw/zinc/59/71/37/244597137.db2.gz XYRKAXPHARIPIJ-ZIAGYGMSSA-N 0 0 331.485 3.502 40 30 EHEBRN CCOCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(C(C)C)cc1 ZINC000078550083 217072612 /nfs/dbraw/zinc/07/26/12/217072612.db2.gz QVIBSBLUZHNZGZ-SFHVURJKSA-N 0 0 345.439 3.521 40 30 EHEBRN Cc1ccc2c(c1)[nH]c(=S)n2C=C1C(=O)Oc2ccccc2C1=O ZINC000017221766 211960498 /nfs/dbraw/zinc/96/04/98/211960498.db2.gz WIFJNMKIYDTKAJ-FMIVXFBMSA-N 0 0 336.372 3.650 40 30 EHEBRN COc1ccc(CC(C)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000005480194 210472458 /nfs/dbraw/zinc/47/24/58/210472458.db2.gz PPAXMRXTMSODCO-GZTJUZNOSA-N 0 0 344.327 3.542 40 30 EHEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3F)NC2=O)cc1 ZINC000005376417 210451441 /nfs/dbraw/zinc/45/14/41/210451441.db2.gz BIZFFTCSJSWHKO-GDNBJRDFSA-N 0 0 328.368 3.726 40 30 EHEBRN NC(=O)COc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1 ZINC000006282393 257866670 /nfs/dbraw/zinc/86/66/70/257866670.db2.gz ASNPEKNTUWEETK-HZHRSRAPSA-N 0 0 345.402 3.723 40 30 EHEBRN COc1cccc(CN=Nc2c(F)c(F)c(F)c(F)c2F)c1O ZINC000005514866 257867687 /nfs/dbraw/zinc/86/76/87/257867687.db2.gz OCFLNUJZQFVZGS-DENHBWNVSA-N 0 0 332.228 3.542 40 30 EHEBRN C=CCN1C(=O)N/C(=C/c2ccc(OCc3cccc(C)c3)cc2)C1=O ZINC000409138677 257877147 /nfs/dbraw/zinc/87/71/47/257877147.db2.gz GJZFYYAFCRDKJO-CPNJWEJPSA-N 0 0 348.402 3.653 40 30 EHEBRN C=CCOc1ccccc1/C=N\NC(F)(F)C(F)(F)C(F)(F)F ZINC000409036560 257882162 /nfs/dbraw/zinc/88/21/62/257882162.db2.gz LPUYNPZNUFUPNO-WNFQYIGGSA-N 0 0 344.230 3.965 40 30 EHEBRN CC/N=C1/S/C(=C/c2ccccc2Br)C(=O)N1CC ZINC000408929659 257885958 /nfs/dbraw/zinc/88/59/58/257885958.db2.gz MFZBTKBXOHUISQ-KDKDSYKCSA-N 0 0 339.258 3.761 40 30 EHEBRN C=CCc1cc(C(=O)Nc2cc(OC)ccc2OC)ccc1OC ZINC000408705471 257892496 /nfs/dbraw/zinc/89/24/96/257892496.db2.gz GQRGSPIHUMMKID-UHFFFAOYSA-N 0 0 327.380 3.693 40 30 EHEBRN CC[C@@H](C)Oc1ccccc1/C=N/NC(=S)NCc1ccccc1 ZINC000408604654 257894331 /nfs/dbraw/zinc/89/43/31/257894331.db2.gz VYAGMLGVGMPAGY-HFITWMCCSA-N 0 0 341.480 3.862 40 30 EHEBRN COc1ccc(-n2cccc2/C=N/OCc2ccccc2C#N)cc1 ZINC000408597074 257894653 /nfs/dbraw/zinc/89/46/53/257894653.db2.gz VMWVKHRPOCHRLF-HYARGMPZSA-N 0 0 331.375 3.908 40 30 EHEBRN CC(C)COc1ccccc1/C=N/NC(=S)NCc1ccccc1 ZINC000408600922 257894658 /nfs/dbraw/zinc/89/46/58/257894658.db2.gz HGRNKJWQCVUWPC-FYJGNVAPSA-N 0 0 341.480 3.720 40 30 EHEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)S2)cc1 ZINC000008411961 257911871 /nfs/dbraw/zinc/91/18/71/257911871.db2.gz SSYAQKSMRQVBFV-GDNBJRDFSA-N 0 0 339.376 3.795 40 30 EHEBRN C=CCc1cc(C(=O)N[C@@H](C)COc2ccccc2C)ccc1OC ZINC000218657447 534410633 /nfs/dbraw/zinc/41/06/33/534410633.db2.gz SIFREQIWFADNTR-INIZCTEOSA-N 0 0 339.435 3.929 40 30 EHEBRN CCOc1ccc(Cl)cc1/C=N/NCc1ccc(OC)c(OC)c1 ZINC000020195667 521015240 /nfs/dbraw/zinc/01/52/40/521015240.db2.gz UPWDZSTVCXNZJM-CIAFOILYSA-N 0 0 348.830 3.880 40 30 EHEBRN COc1cc(NN=Cc2ccccc2[N+](=O)[O-])nc(-c2ccccc2)n1 ZINC000005003451 522630891 /nfs/dbraw/zinc/63/08/91/522630891.db2.gz ZOPBJRDTWWDBAO-XDHOZWIPSA-N 0 0 349.350 3.506 40 30 EHEBRN Oc1ccccc1CN=Nc1ccnc(SCc2ccccc2)n1 ZINC000004595761 526369966 /nfs/dbraw/zinc/36/99/66/526369966.db2.gz ISXOKFUSLJHXNG-UDWIEESQSA-N 0 0 336.420 3.921 40 30 EHEBRN CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC(C)=O)c(C#N)c1 ZINC000225827909 535139776 /nfs/dbraw/zinc/13/97/76/535139776.db2.gz OLRLOPGJUBGGIC-IBGZPJMESA-N 0 0 346.427 3.798 40 30 EHEBRN CCO[C@](C)(C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N)C1CC1 ZINC000225836730 535650787 /nfs/dbraw/zinc/65/07/87/535650787.db2.gz RMJZMPRRFTZANJ-DJJJIMSYSA-N 0 0 330.428 3.879 40 30 EHEBRN Cc1ccc(S(=O)(=O)O[C@@H]2CCCCCCCC[C@H]2O)cc1 ZINC000001709174 563405659 /nfs/dbraw/zinc/40/56/59/563405659.db2.gz HEFXAEAXCPZBCO-IAGOWNOFSA-N 0 0 326.458 3.564 40 30 EHEBRN COc1cc(C)c(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC ZINC000408548377 563447350 /nfs/dbraw/zinc/44/73/50/563447350.db2.gz HEVSECCQTJUJBV-KGENOOAVSA-N 0 0 340.423 3.599 40 30 EHEBRN COC(=O)c1ccc(/N=C/c2cc(OC)c(OC)cc2C)c(C)c1 ZINC000408549478 563452959 /nfs/dbraw/zinc/45/29/59/563452959.db2.gz UHBLAEGPEKGGPJ-RGVLZGJSSA-N 0 0 327.380 3.858 40 30 EHEBRN CC(=O)N1CCC(=NOC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000408609857 563498418 /nfs/dbraw/zinc/49/84/18/563498418.db2.gz PEFXIQQTMQEUKA-UHFFFAOYSA-N 0 0 336.391 3.509 40 30 EHEBRN COc1ccc(/N=C2/NC(=O)/C(=C/C=C/c3ccco3)S2)cc1 ZINC000005374540 563529329 /nfs/dbraw/zinc/52/93/29/563529329.db2.gz FBEAFECLSJNFGP-RPGBBNPCSA-N 0 0 326.377 3.736 40 30 EHEBRN C/C(=N\O)[C@@H](c1ccccc1)n1c(C)[n+]([O-])c(C)c1-c1ccccc1 ZINC000005537328 563537660 /nfs/dbraw/zinc/53/76/60/563537660.db2.gz SKWATZTTWMKJGV-ORTNRGLGSA-N 0 0 335.407 3.845 40 30 EHEBRN CCn1c2ccccc2[nH]c1=NN=C(C)c1ccc(OC)cc1OC ZINC000408692588 563573964 /nfs/dbraw/zinc/57/39/64/563573964.db2.gz PXRYVEQOOPOTQD-BKUYFWCQSA-N 0 0 338.411 3.910 40 30 EHEBRN CCNC(=S)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000006891522 563590889 /nfs/dbraw/zinc/59/08/89/563590889.db2.gz JRIGVNRXRFIUHB-RGVLZGJSSA-N 0 0 335.517 3.805 40 30 EHEBRN N#C[C@@H]1[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]2[C@H]1C#N ZINC000008380957 563628302 /nfs/dbraw/zinc/62/83/02/563628302.db2.gz ZXXQHIZONCRTHR-VNTMZGSJSA-N 0 0 325.371 3.559 40 30 EHEBRN CCOC(=O)c1ccc(NC=C2C(=O)N(c3ccccc3)N=C2C)cc1 ZINC000408740545 563639530 /nfs/dbraw/zinc/63/95/30/563639530.db2.gz LLBPSMKNZFYQAO-LANLRWRYSA-N 0 0 349.390 3.605 40 30 EHEBRN O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1ccc(O)cc1 ZINC000408748511 563640704 /nfs/dbraw/zinc/64/07/04/563640704.db2.gz DHEOMWMTNRDBPY-RIYZIHGNSA-N 0 0 330.796 3.937 40 30 EHEBRN COc1cc(C=NNc2nc3ccccc3s2)cc(OC)c1OC ZINC000033384261 563915994 /nfs/dbraw/zinc/91/59/94/563915994.db2.gz KDWWNDGRDYNHLQ-ZDLGFXPLSA-N 0 0 343.408 3.768 40 30 EHEBRN NC(=S)N/N=C\c1cc(Cl)c2nc(-c3ccccc3)ccc2c1 ZINC000034856377 563919859 /nfs/dbraw/zinc/91/98/59/563919859.db2.gz UEQSMIMSCLQGKM-JMIUGGIZSA-N 0 0 340.839 3.722 40 30 EHEBRN O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1cccc(O)c1 ZINC000075286061 563921470 /nfs/dbraw/zinc/92/14/70/563921470.db2.gz YRDVMWWOWMYCBV-NTEUORMPSA-N 0 0 330.796 3.937 40 30 EHEBRN C=CCNC(=S)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000017072447 563981970 /nfs/dbraw/zinc/98/19/70/563981970.db2.gz XQYMOSXJCJPVLB-UHFFFAOYSA-N 0 0 348.475 3.689 40 30 EHEBRN COc1ccc2nc(NC(=O)c3ccc(C#N)cc3F)sc2c1 ZINC000014257988 563983780 /nfs/dbraw/zinc/98/37/80/563983780.db2.gz ASDLTSKBKJMORZ-UHFFFAOYSA-N 0 0 327.340 3.568 40 30 EHEBRN C=CCOc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000224721403 563994770 /nfs/dbraw/zinc/99/47/70/563994770.db2.gz MOBPMBBYZAIGPZ-UHFFFAOYSA-N 0 0 337.828 3.730 40 30 EHEBRN Oc1ccc(/C=N/c2ccc(F)cc2)cc1I ZINC000408904992 564007875 /nfs/dbraw/zinc/00/78/75/564007875.db2.gz RQLPVPQPIMULAZ-LZYBPNLTSA-N 0 0 341.123 3.887 40 30 EHEBRN CCOCCN1C(=O)/C(=C/c2ccoc2)S/C1=N/c1ccccc1 ZINC000408928982 564008082 /nfs/dbraw/zinc/00/80/82/564008082.db2.gz GGSQGHAKNUHNGM-MPOVVXLQSA-N 0 0 342.420 3.920 40 30 EHEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1c[nH]c2ccccc12 ZINC000409037743 564009115 /nfs/dbraw/zinc/00/91/15/564009115.db2.gz YWJGPCUASGZPDR-MPUCSWFWSA-N 0 0 327.203 3.882 40 30 EHEBRN COc1ccc(C)cc1NC=CC(=O)c1ccc(OC)c(OC)c1 ZINC000409057289 564009273 /nfs/dbraw/zinc/00/92/73/564009273.db2.gz VKRYPVALOYSMAA-MDZDMXLPSA-N 0 0 327.380 3.829 40 30 EHEBRN O=S(=O)(Oc1c(Cl)cc(/C=N/O)cc1Cl)c1ccccc1 ZINC000409075178 564009414 /nfs/dbraw/zinc/00/94/14/564009414.db2.gz PHJQGUXLDFQYCQ-LZYBPNLTSA-N 0 0 346.191 3.569 40 30 EHEBRN C#CCOc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1OC ZINC000409103892 564009825 /nfs/dbraw/zinc/00/98/25/564009825.db2.gz HNRXYHJVECLRQX-LSHDLFTRSA-N 0 0 349.312 3.567 40 30 EHEBRN C=CCOc1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000009696393 564016931 /nfs/dbraw/zinc/01/69/31/564016931.db2.gz ZNIMRIDCCJTOJN-UHFFFAOYSA-N 0 0 337.828 3.847 40 30 EHEBRN Cc1ccnc(N=C2NC(=Nc3cc(C)ccn3)c3ccccc32)c1 ZINC000018129770 564018327 /nfs/dbraw/zinc/01/83/27/564018327.db2.gz RICYEEKUSJZLMZ-UHFFFAOYSA-N 0 0 327.391 3.853 40 30 EHEBRN CC1=C2C3=C(C(=O)CC(C)(C)C3)[C@H](c3ccc(Cl)cc3)N[C@@H]2NN1 ZINC000016607982 564024636 /nfs/dbraw/zinc/02/46/36/564024636.db2.gz GOBFNXFQYFKPEV-RYQLBKOJSA-N 0 0 343.858 3.591 40 30 EHEBRN C[C@]1(CCCC#N)N=C(SCCCC#N)N(c2ccccc2)C1=O ZINC000003026542 564026122 /nfs/dbraw/zinc/02/61/22/564026122.db2.gz VOPJSZKNKQDYNU-GOSISDBHSA-N 0 0 340.452 3.879 40 30 EHEBRN CC(=O)Nc1ccc(-c2csc(N=NCc3ccncc3)n2)cc1 ZINC000006781164 564033497 /nfs/dbraw/zinc/03/34/97/564033497.db2.gz GBPXPPAOHDJOCU-VXLYETTFSA-N 0 0 337.408 3.610 40 30 EHEBRN CC1=C2C3=C(C(=O)CC(C)(C)C3)[C@@H](c3ccc(Cl)cc3)N[C@H]2NN1 ZINC000222094129 564033652 /nfs/dbraw/zinc/03/36/52/564033652.db2.gz GOBFNXFQYFKPEV-NXHRZFHOSA-N 0 0 343.858 3.591 40 30 EHEBRN C/N=C1\S/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C)C(=O)N1C ZINC000223470988 564040163 /nfs/dbraw/zinc/04/01/63/564040163.db2.gz IBFGLLCGJDDETA-XXUJCTABSA-N 0 0 341.480 3.850 40 30 EHEBRN CCc1ccc(NN=C2c3cc(Br)ccc3NC2=O)cc1 ZINC000223763658 564040818 /nfs/dbraw/zinc/04/08/18/564040818.db2.gz JLXWGVFWNFPOGG-UHFFFAOYSA-N 0 0 344.212 3.780 40 30 EHEBRN O=C1N/C(=N\c2ccc(Cl)cc2)S/C1=C/c1ccccc1O ZINC000029135327 564047512 /nfs/dbraw/zinc/04/75/12/564047512.db2.gz AAWXYVYCCMMZCM-NTEUORMPSA-N 0 0 330.796 3.937 40 30 EHEBRN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000245227628 564052382 /nfs/dbraw/zinc/05/23/82/564052382.db2.gz LASCNIPXMJNRGS-WSYNCDOCSA-N 0 0 328.452 3.903 40 30 EHEBRN C=C[C@@H]1ON(Cc2ccccc2)CCc2cc(OC)c(OC)cc21 ZINC000006005382 564070667 /nfs/dbraw/zinc/07/06/67/564070667.db2.gz OZWWEIDSIBLVQN-SFHVURJKSA-N 0 0 325.408 3.921 40 30 EHEBRN O=C1Nc2cc(O)c(Cl)cc2[C@](C#CC2CC2)(C(F)(F)F)O1 ZINC000006524607 564070793 /nfs/dbraw/zinc/07/07/93/564070793.db2.gz GZMDZAYFVCXHFM-CYBMUJFWSA-N 0 0 331.677 3.779 40 30 in-vitro EHEBRN c1ccc(C(=NOCn2nnc3ccccc32)c2ccccc2)cc1 ZINC000015771828 564073772 /nfs/dbraw/zinc/07/37/72/564073772.db2.gz NPOGYQDAKUYKSB-UHFFFAOYSA-N 0 0 328.375 3.858 40 30 EHEBRN CC[C@H](C)Sc1nc(N)c(C#N)c(COc2ccc(F)cc2)n1 ZINC000223688629 564081814 /nfs/dbraw/zinc/08/18/14/564081814.db2.gz AMLQAMXLYROHHK-JTQLQIEISA-N 0 0 332.404 3.539 40 30 EHEBRN C=CCSc1ccccc1C(=O)NCCN(C)c1ccccc1 ZINC000219813993 564084241 /nfs/dbraw/zinc/08/42/41/564084241.db2.gz FGGQFDVEILIUHS-UHFFFAOYSA-N 0 0 326.465 3.831 40 30 EHEBRN CC(C)CC(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000000570373 564133423 /nfs/dbraw/zinc/13/34/23/564133423.db2.gz SVVRZIUIROCPRB-SNVBAGLBSA-N 0 0 335.498 3.604 40 30 EHEBRN COc1ccc(OC)c(-c2c(C#N)c(N)ncc2-c2ccccc2)c1 ZINC000408979580 564133688 /nfs/dbraw/zinc/13/36/88/564133688.db2.gz MZCXTFBPCIMSHA-UHFFFAOYSA-N 0 0 331.375 3.717 40 30 EHEBRN CCN(Cc1ccccc1)c1nn(-c2ccc(C)cc2C)nc1C#N ZINC000256049344 564134769 /nfs/dbraw/zinc/13/47/69/564134769.db2.gz ZLZBAYIRXKJUFQ-UHFFFAOYSA-N 0 0 331.423 3.782 40 30 EHEBRN Clc1ccc([C@H]2NN=C3NC(=Nc4ccccc4)S[C@H]32)cc1 ZINC000101510670 219129526 /nfs/dbraw/zinc/12/95/26/219129526.db2.gz WFJFZWNIGMZTOU-KGLIPLIRSA-N 0 0 328.828 3.691 40 30 EHEBRN COc1ccc(/N=C\c2cc3c(cc2Br)OCO3)cc1 ZINC000104190756 219358307 /nfs/dbraw/zinc/35/83/07/219358307.db2.gz NHSAPYPXVPGVME-IUXPMGMMSA-N 0 0 334.169 3.937 40 30 EHEBRN Oc1ccc(Cl)cc1/C=N/NC(=S)N[C@H]1CCc2ccccc21 ZINC000001709425 209784409 /nfs/dbraw/zinc/78/44/09/209784409.db2.gz JQAXVONNLCANIP-RPJLVFAOSA-N 0 0 345.855 3.531 40 30 EHEBRN C#CCOC(=O)c1cc2nc(-c3ccc(F)cc3)[nH]c2c(Cl)c1 ZINC000216922313 241223624 /nfs/dbraw/zinc/22/36/24/241223624.db2.gz ZWHUHPCQMLCLOX-UHFFFAOYSA-N 0 0 328.730 3.812 40 30 EHEBRN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](C#N)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000218527939 241328896 /nfs/dbraw/zinc/32/88/96/241328896.db2.gz HABCYFGCFVRUEK-ULQDDVLXSA-N 0 0 331.824 3.728 40 30 EHEBRN C=CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225095330 241794705 /nfs/dbraw/zinc/79/47/05/241794705.db2.gz NSUCDKBPVDFBAQ-UHFFFAOYSA-N 0 0 349.427 3.832 40 30 EHEBRN CCOC1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCCC1 ZINC000225828979 242054707 /nfs/dbraw/zinc/05/47/07/242054707.db2.gz JYMJDBNCJQVHAP-UHFFFAOYSA-N 0 0 330.428 3.881 40 30 EHEBRN N#Cc1c(N)n(Cc2ccc(Cl)cc2)nc1Cc1ccc(F)cc1 ZINC000225840343 242058742 /nfs/dbraw/zinc/05/87/42/242058742.db2.gz ZIRJWBZNEAFJRO-UHFFFAOYSA-N 0 0 340.789 3.769 40 30 EHEBRN COc1ccccc1Oc1c(N)cc(C#N)n1Cc1cccc(F)c1 ZINC000225883597 242070584 /nfs/dbraw/zinc/07/05/84/242070584.db2.gz OGVOHZACCNPZOU-UHFFFAOYSA-N 0 0 337.354 3.930 40 30 EHEBRN COc1ccc(NC(=O)[C@](C)(C#N)c2ccc(Cl)cc2)cc1OC ZINC000225961039 242081603 /nfs/dbraw/zinc/08/16/03/242081603.db2.gz BHIAKGPPAKFFBH-GOSISDBHSA-N 0 0 344.798 3.777 40 30 EHEBRN O=C1N/C(=N\N=C/c2ccccc2Cl)S[C@@H]1c1ccccc1 ZINC000009189505 211049938 /nfs/dbraw/zinc/04/99/38/211049938.db2.gz ARLNJOFGYWSEPM-FNHQQPGVSA-N 0 0 329.812 3.634 40 30 EHEBRN Cc1cccc(C)c1NC(=S)NC=C1C(=O)c2ccccc2C1=O ZINC000005579625 210494733 /nfs/dbraw/zinc/49/47/33/210494733.db2.gz NQFWUVWFOYZSPB-UHFFFAOYSA-N 0 0 336.416 3.553 40 30 EHEBRN COc1ccccc1/C=C1\S/C(=N\c2ccccc2F)NC1=O ZINC000005006599 210358862 /nfs/dbraw/zinc/35/88/62/210358862.db2.gz LEYROMZJWRTRNK-GDNBJRDFSA-N 0 0 328.368 3.726 40 30 EHEBRN Cc1cc(Br)ccc1/N=C\c1ccc(N2CCOCC2)o1 ZINC000409015755 257882469 /nfs/dbraw/zinc/88/24/69/257882469.db2.gz SBWLEUZHJDYNKM-WQRHYEAKSA-N 0 0 349.228 3.938 40 30 EHEBRN CC/N=C1/S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1CC ZINC000408928859 257886054 /nfs/dbraw/zinc/88/60/54/257886054.db2.gz FKKPZVSZCGOQCS-LUOFJIKJSA-N 0 0 339.804 3.560 40 30 EHEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cccc(O)c2)S1 ZINC000408868395 257886994 /nfs/dbraw/zinc/88/69/94/257886994.db2.gz MIZIQXYSLMCYSI-YBEGLDIGSA-N 0 0 340.404 3.601 40 30 EHEBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(C#N)cc3)S2)cc1 ZINC000408776685 257888328 /nfs/dbraw/zinc/88/83/28/257888328.db2.gz QCIIFEKCWXJHCF-DPWKNNTCSA-N 0 0 335.432 3.720 40 30 EHEBRN C=CCc1cc(C(=O)Nc2cc(C(=O)OC)ccc2C)ccc1OC ZINC000408702847 257892667 /nfs/dbraw/zinc/89/26/67/257892667.db2.gz HZDYBPRCZMYBEH-UHFFFAOYSA-N 0 0 339.391 3.771 40 30 EHEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000408587994 257895154 /nfs/dbraw/zinc/89/51/54/257895154.db2.gz AWGHPLANPPZGFX-LZYBPNLTSA-N 0 0 335.703 3.707 40 30 EHEBRN C/C(=N/O)C1=CC[C@@H]2[C@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253617579 258073407 /nfs/dbraw/zinc/07/34/07/258073407.db2.gz XETDBTMQGVJJOY-KBEPTELBSA-N 0 0 345.483 3.667 40 30 EHEBRN C=CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000224631714 518815692 /nfs/dbraw/zinc/81/56/92/518815692.db2.gz MITREEYLPXVIOM-UHFFFAOYSA-N 0 0 331.437 3.693 40 30 EHEBRN CCCOc1ccc(/C=N/NCc2ccc(OC)c(OC)c2)cc1 ZINC000020196349 520322485 /nfs/dbraw/zinc/32/24/85/520322485.db2.gz ITRGQAOEMTVTBX-DEDYPNTBSA-N 0 0 328.412 3.616 40 30 EHEBRN CCCCCn1c(C#N)cc(N)c1Oc1ccc(C(=O)OC)cc1 ZINC000225887240 535147446 /nfs/dbraw/zinc/14/74/46/535147446.db2.gz QSRQYXIRFXCHEG-UHFFFAOYSA-N 0 0 327.384 3.711 40 30 EHEBRN CCO[C@](C)(C(=O)Nc1ccc(OCC(C)C)cc1C#N)C1CC1 ZINC000225836826 535650741 /nfs/dbraw/zinc/65/07/41/535650741.db2.gz PLZOBEQCGAEAHG-IBGZPJMESA-N 0 0 330.428 3.737 40 30 EHEBRN CCc1ccc([C@H]2[C@H](C#N)[C@@H]2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000218565149 536194927 /nfs/dbraw/zinc/19/49/27/536194927.db2.gz DQVARHGFUIUDEZ-FHWLQOOXSA-N 0 0 325.433 3.637 40 30 EHEBRN CC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Cl)ccc2O)cc1 ZINC000000570330 563349447 /nfs/dbraw/zinc/34/94/47/563349447.db2.gz STZQMHIPJRBZTB-GIJQJNRQSA-N 0 0 347.827 3.629 40 30 EHEBRN CC(C)C1=CC(=NC(=O)c2ccc([N+](=O)[O-])cc2)C=C(C(C)C)C1=O ZINC000003078241 563471262 /nfs/dbraw/zinc/47/12/62/563471262.db2.gz AIKWJKNTJXKNFH-UHFFFAOYSA-N 0 0 340.379 3.924 40 30 EHEBRN N#Cc1ccccc1CO/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000408596771 563495180 /nfs/dbraw/zinc/49/51/80/563495180.db2.gz UMCKZHRSKNNXMG-FYJGNVAPSA-N 0 0 346.346 3.808 40 30 EHEBRN COc1ccc(/C=C/C(=N/O)c2ccc(OC)c(OC)c2)cc1OC ZINC000005208638 563522826 /nfs/dbraw/zinc/52/28/26/563522826.db2.gz BZSHTKNCRMVXSF-ZEUYVESBSA-N 0 0 343.379 3.613 40 30 EHEBRN CSc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000005515320 563536135 /nfs/dbraw/zinc/53/61/35/563536135.db2.gz LSGXXZNIQOHSFZ-OQLLNIDSSA-N 0 0 332.341 3.671 40 30 EHEBRN O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1ccc([N+](=O)[O-])cc1 ZINC000005581016 563541109 /nfs/dbraw/zinc/54/11/09/563541109.db2.gz SOOVJBNIZSFYKV-UHFFFAOYSA-N 0 0 338.363 3.819 40 30 EHEBRN CCOc1cc(Cl)cc(/C=N/c2ccc(C(=O)OC)cc2)c1O ZINC000006595488 563573977 /nfs/dbraw/zinc/57/39/77/563573977.db2.gz JXEDRODHIBEQAY-VXLYETTFSA-N 0 0 333.771 3.982 40 30 EHEBRN CSC1=N[C@@H](c2ccc(Br)cc2)C(C(C)=O)=C(C)N1 ZINC000408730276 563630518 /nfs/dbraw/zinc/63/05/18/563630518.db2.gz GROXELDLISLIAK-ZDUSSCGKSA-N 0 0 339.258 3.675 40 30 EHEBRN Oc1ccc(Cl)cc1/C=N\NC(=S)N[C@@H]1CCc2ccccc21 ZINC000016919366 563825675 /nfs/dbraw/zinc/82/56/75/563825675.db2.gz JQAXVONNLCANIP-SMLKNPDNSA-N 0 0 345.855 3.531 40 30 EHEBRN Cc1ccccc1C(=O)/N=C1\SCCN1C(=O)c1ccccc1C ZINC000017071022 563833935 /nfs/dbraw/zinc/83/39/35/563833935.db2.gz XTKMHUJONGGSGE-VXPUYCOJSA-N 0 0 338.432 3.689 40 30 EHEBRN CC/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)c(C)c1 ZINC000017109877 563836871 /nfs/dbraw/zinc/83/68/71/563836871.db2.gz ZLDBUXUWUXNOJS-HNENSFHCSA-N 0 0 330.453 3.704 40 30 EHEBRN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)C(F)(F)F)n1 ZINC000033707128 563916463 /nfs/dbraw/zinc/91/64/63/563916463.db2.gz IMYNYUQANNKQEQ-UHFFFAOYSA-N 0 0 328.237 3.504 40 30 EHEBRN C=CCN(c1ccccc1CC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225019031 563995477 /nfs/dbraw/zinc/99/54/77/563995477.db2.gz UBRUGDUBNSTCLN-UHFFFAOYSA-N 0 0 346.408 3.539 40 30 EHEBRN Clc1cc2c(cc1/C=N/c1ccc(N3CCOCC3)cc1)OCO2 ZINC000000359088 563996914 /nfs/dbraw/zinc/99/69/14/563996914.db2.gz HCOVPVDSQRDCAE-RGVLZGJSSA-N 0 0 344.798 3.656 40 30 EHEBRN CN1C(=O)S/C(=C\c2cc(Cl)c(OCC#N)c(Cl)c2)C1=O ZINC000408814977 564007405 /nfs/dbraw/zinc/00/74/05/564007405.db2.gz SQXUSVQEGKYHJJ-POHAHGRESA-N 0 0 343.191 3.562 40 30 EHEBRN Cc1cc2c(cc1/C=C1\SC(=Nc3ccccc3)NC1=O)OCO2 ZINC000408989827 564008650 /nfs/dbraw/zinc/00/86/50/564008650.db2.gz MGRIMXIKWBXVFN-SXGWCWSVSA-N 0 0 338.388 3.615 40 30 EHEBRN COc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)c(OC)c1C ZINC000409065948 564009346 /nfs/dbraw/zinc/00/93/46/564009346.db2.gz LCZMFOAQKQRLOC-ODCIPOBUSA-N 0 0 339.317 3.872 40 30 EHEBRN COC(=O)c1ccc(/N=C/c2ccc(N3CCCC3)c(F)c2)cc1 ZINC000409096601 564009843 /nfs/dbraw/zinc/00/98/43/564009843.db2.gz KAQFIFDPONTMSE-FYJGNVAPSA-N 0 0 326.371 3.963 40 30 EHEBRN Fc1cc(/C=N\NC(=S)Nc2ccccc2)ccc1N1CCCC1 ZINC000409102941 564009968 /nfs/dbraw/zinc/00/99/68/564009968.db2.gz WUTMYWPAPXMGPV-MOSHPQCFSA-N 0 0 342.443 3.746 40 30 EHEBRN C#CCOc1ccc(/C=C2/c3ccccc3N(CC)C2=O)cc1OC ZINC000409116335 564010382 /nfs/dbraw/zinc/01/03/82/564010382.db2.gz PDYKJORGOPPHFA-LGMDPLHJSA-N 0 0 333.387 3.614 40 30 EHEBRN COc1cc(N2CCOCC2)ccc1/C=N/c1cccc(Cl)c1 ZINC000409243725 564011375 /nfs/dbraw/zinc/01/13/75/564011375.db2.gz XWKPBMMFPINCDD-DEDYPNTBSA-N 0 0 330.815 3.936 40 30 EHEBRN CC[C@@H](C)N1C(=O)S/C(=C/c2cn(CC#N)c3ccccc23)C1=O ZINC000409382567 564011932 /nfs/dbraw/zinc/01/19/32/564011932.db2.gz UDGWFMAXVZTSAT-HMHNVIDESA-N 0 0 339.420 4.000 40 30 EHEBRN NC(=O)Cn1cc(/C=N/c2ccc(F)c(Cl)c2)c2ccccc21 ZINC000409385405 564011968 /nfs/dbraw/zinc/01/19/68/564011968.db2.gz LAWDCUHVZNQEIX-ODCIPOBUSA-N 0 0 329.762 3.670 40 30 EHEBRN CCCCCCCCCNC(=O)C(=O)Nc1ccc(OCC)cc1 ZINC000103762823 564013733 /nfs/dbraw/zinc/01/37/33/564013733.db2.gz ZXUGTCHWLBAZCB-UHFFFAOYSA-N 0 0 334.460 3.891 40 30 EHEBRN CCOc1ccc(C(C)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000005316765 564013982 /nfs/dbraw/zinc/01/39/82/564013982.db2.gz XCHPJATYPSOWHG-GZTJUZNOSA-N 0 0 344.327 3.738 40 30 EHEBRN C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCC)cc1 ZINC000008073627 564015977 /nfs/dbraw/zinc/01/59/77/564015977.db2.gz IAGXUEIINCLJFD-UHFFFAOYSA-N 0 0 338.407 3.644 40 30 EHEBRN C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)c(OC)cc4[C@H]3CC[C@@]21C ZINC000005764429 564033136 /nfs/dbraw/zinc/03/31/36/564033136.db2.gz NRGDXTWZJCEVEB-PVHGPHFFSA-N 0 0 326.436 3.621 40 30 in-vitro EHEBRN Cc1ccc(C(C)N=Nc2c(F)c(F)nc(F)c2F)cc1[N+](=O)[O-] ZINC000008403567 564035591 /nfs/dbraw/zinc/03/55/91/564035591.db2.gz PWCPDUMMRAFQEU-IFRROFPPSA-N 0 0 342.252 3.691 40 30 EHEBRN CCc1ccc(NN=C2c3ccccc3N(C3CSC3)C2=O)cc1 ZINC000223718679 564040679 /nfs/dbraw/zinc/04/06/79/564040679.db2.gz JKNAWFUYCLRQDE-UZYVYHOESA-N 0 0 337.448 3.527 40 30 EHEBRN Cc1cccn(C(=O)c2ccccc2)/c1=N/[C@H](C#N)c1ccccc1 ZINC000223813016 564040932 /nfs/dbraw/zinc/04/09/32/564040932.db2.gz UTYBPDXAYOITRC-VKQKAZQBSA-N 0 0 327.387 3.651 40 30 EHEBRN CC1(C)COc2c1cccc2C(=O)Nc1nc2c(cc1C#N)CCCC2 ZINC000333073395 564053283 /nfs/dbraw/zinc/05/32/83/564053283.db2.gz DAQSIMWRSFLTHC-UHFFFAOYSA-N 0 0 347.418 3.754 40 30 EHEBRN CCOc1ccc2nc(SCC(=O)N[C@H](C)CC)c(C#N)cc2c1 ZINC000001354857 564063261 /nfs/dbraw/zinc/06/32/61/564063261.db2.gz AQYSMVCFWGJAJZ-GFCCVEGCSA-N 0 0 343.452 3.512 40 30 EHEBRN O=C1/C(=C/c2ccc([N+](=O)[O-])o2)CCC/C1=C/c1ccc([N+](=O)[O-])o1 ZINC000002747058 564065700 /nfs/dbraw/zinc/06/57/00/564065700.db2.gz LRTHCMHYZDMXSG-PNQPDEHRSA-N 0 0 344.279 3.909 40 30 EHEBRN N#Cc1cccn1-c1cc(Br)ccc1Br ZINC000223744520 564081911 /nfs/dbraw/zinc/08/19/11/564081911.db2.gz ABWXQDTXCMNAPN-UHFFFAOYSA-N 0 0 325.991 3.874 40 30 EHEBRN CCOc1ccccc1C=NN1C(=S)N=NC1c1ccc(C)cc1 ZINC000253616995 564124706 /nfs/dbraw/zinc/12/47/06/564124706.db2.gz PAXBCTBMFWUHDH-UHFFFAOYSA-N 0 0 338.436 3.823 40 30 EHEBRN CCOc1cc(/C=N\O)ccc1OCC(=O)Nc1cccc(C)c1C ZINC000006960876 564126404 /nfs/dbraw/zinc/12/64/04/564126404.db2.gz BJLGRAPZYYSTRC-JAIQZWGSSA-N 0 0 342.395 3.528 40 30 EHEBRN Cc1ccc(C)c(NC(=O)COc2ccc(/C=N\O)cc2Cl)c1 ZINC000008369971 564127327 /nfs/dbraw/zinc/12/73/27/564127327.db2.gz BYWWEDLRQFQBOU-OCKHKDLRSA-N 0 0 332.787 3.782 40 30 EHEBRN COc1cccc(CN=Nc2ccc(C(F)(F)F)cn2)c1OC ZINC000006297132 564129797 /nfs/dbraw/zinc/12/97/97/564129797.db2.gz VJRJQDMISLKOQR-DNTJNYDQSA-N 0 0 325.290 3.564 40 30 EHEBRN Cc1csc(N=NCc2ccc(OC(=O)c3ccccc3)cc2)n1 ZINC000016666544 564129841 /nfs/dbraw/zinc/12/98/41/564129841.db2.gz FMTLEGMNXMJZRG-YBFXNURJSA-N 0 0 337.404 3.539 40 30 EHEBRN C[C@H]1OCC[C@H]1NC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000330218592 1024357209 /nfs/dbraw/zinc/35/72/09/1024357209.db2.gz OVLAAVKNGKIPRA-SDBHATRESA-N 0 0 343.254 3.920 40 30 EHEBRN COc1ccc2c(c1[N+](=O)[O-])CCC/C2=N/OC(=O)c1ccccc1 ZINC000004402352 210187991 /nfs/dbraw/zinc/18/79/91/210187991.db2.gz YNKZOFXBOFGRBG-CYVLTUHYSA-N 0 0 340.335 3.501 40 30 EHEBRN C#CCCCCCCCCCCC[C@@H](O)C[C@@H](O)COC(C)=O ZINC000003978495 210097851 /nfs/dbraw/zinc/09/78/51/210097851.db2.gz JAKAZHIACKJNNB-RTBURBONSA-N 0 0 326.477 3.586 40 30 endogenous,in-man EHEBRN CC/N=c1/scc(-c2ccccc2F)n1/N=C/c1cccnc1 ZINC000102960639 219244136 /nfs/dbraw/zinc/24/41/36/219244136.db2.gz LECIHVBMLAYVKJ-DJTJUKJSSA-N 0 0 326.400 3.554 40 30 EHEBRN CCO/C=C1\C(=O)C=C(C)C[C@H]1c1ccc(OC)c(OC)c1OC ZINC000001668917 209779542 /nfs/dbraw/zinc/77/95/42/209779542.db2.gz QQAVAYYMUFZIKB-XFNCEPBJSA-N 0 0 332.396 3.636 40 30 EHEBRN N#Cc1c(N)n(-c2ccccn2)nc1-c1ccc(Cl)cc1Cl ZINC000039955337 213245952 /nfs/dbraw/zinc/24/59/52/213245952.db2.gz WDVKBHFTJBPBAW-UHFFFAOYSA-N 0 0 330.178 3.695 40 30 EHEBRN FC(F)(F)O[C@](F)(/C=C\I)C(F)(F)F ZINC000036533639 213099811 /nfs/dbraw/zinc/09/98/11/213099811.db2.gz NSLKTPQPESHEBK-PWFNBVKNSA-N 0 0 337.960 3.700 40 30 EHEBRN Cc1cc(C)c2nc(SCC(=O)NC3CCCC3)c(C#N)cc2c1 ZINC000000410795 209574415 /nfs/dbraw/zinc/57/44/15/209574415.db2.gz AGAVVOJCKFAUES-UHFFFAOYSA-N 0 0 339.464 3.874 40 30 EHEBRN C=C1C(=O)O[C@H]2/C=C(\C)C[C@H]3C=C(CC/C=C(\C)CC[C@@H]12)C(=O)O3 ZINC000031155717 212724897 /nfs/dbraw/zinc/72/48/97/212724897.db2.gz KTYZKXFERQUCPX-KJBZNBRFSA-N 0 0 328.408 3.793 40 30 biogenic,in-vitro EHEBRN C#CCOC(=O)c1cc(-c2cc3ccccc3oc2=O)ccc1Cl ZINC000216936964 241226146 /nfs/dbraw/zinc/22/61/46/241226146.db2.gz SIDAEKLDGRZVMB-UHFFFAOYSA-N 0 0 338.746 3.903 40 30 EHEBRN C=CCN(c1ccccc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225068805 241792353 /nfs/dbraw/zinc/79/23/53/241792353.db2.gz XECKYCZMMBSSJX-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN COC(C)(C)CCOc1c(N)cc(C#N)n1Cc1ccccc1Cl ZINC000225878260 242068205 /nfs/dbraw/zinc/06/82/05/242068205.db2.gz WYPYXXPSESZYLM-UHFFFAOYSA-N 0 0 347.846 3.838 40 30 EHEBRN Cn1ccnc1Cn1c(C#N)cc(N)c1Sc1ccc(Cl)cc1 ZINC000225888937 242071279 /nfs/dbraw/zinc/07/12/79/242071279.db2.gz MDLGITWRLCODCX-UHFFFAOYSA-N 0 0 343.843 3.528 40 30 EHEBRN Cc1ccccc1Cn1c(C#N)cc(N)c1Oc1ccc2c(c1)OCO2 ZINC000225886368 242072263 /nfs/dbraw/zinc/07/22/63/242072263.db2.gz WRGDOMGSKJYOSK-UHFFFAOYSA-N 0 0 347.374 3.820 40 30 EHEBRN COc1ccc(NC(=O)[C@](C)(C#N)c2ccc(Cl)cc2)c(OC)c1 ZINC000225961002 242081927 /nfs/dbraw/zinc/08/19/27/242081927.db2.gz UZBCSMHZGOLULI-GOSISDBHSA-N 0 0 344.798 3.777 40 30 EHEBRN CC(C)COc1ccc(NC(=O)C(C)(C)Br)c(C#N)c1 ZINC000225786991 242034638 /nfs/dbraw/zinc/03/46/38/242034638.db2.gz ZWHJUERSVAYITN-UHFFFAOYSA-N 0 0 339.233 3.705 40 30 EHEBRN CCOC(=O)C1C(C)=Nc2sc(C#N)c(N)c2[C@H]1c1cccs1 ZINC000012412684 211371790 /nfs/dbraw/zinc/37/17/90/211371790.db2.gz PFYLCWYWUBRQTL-LBPRGKRZSA-N 0 0 345.449 3.658 40 30 EHEBRN N#CCCc1c(=O)[nH]c(N2CCc3ccccc32)nc1-c1ccccc1 ZINC000010342438 211167697 /nfs/dbraw/zinc/16/76/97/211167697.db2.gz JMNABVICFLXTOA-UHFFFAOYSA-N 0 0 342.402 3.587 40 30 EHEBRN Cc1cccc2cc(C#N)c(SCC(=O)NC3CCCC3)nc12 ZINC000004849019 210298780 /nfs/dbraw/zinc/29/87/80/210298780.db2.gz YOIUFDCBPOYNAM-UHFFFAOYSA-N 0 0 325.437 3.566 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@]45O[C@@H]4C(=O)CC[C@]5(C)[C@H]3CC[C@]12C ZINC000004783132 210276715 /nfs/dbraw/zinc/27/67/15/210276715.db2.gz AHUAGQAMTIBPDR-CTDFXWGSSA-N 0 0 330.468 3.935 40 30 EHEBRN CC(=O)[C@@]12C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1O2 ZINC000118917467 221203528 /nfs/dbraw/zinc/20/35/28/221203528.db2.gz AEJAEAUKXCTTKY-YRQPXTNQSA-N 0 0 330.468 3.647 40 30 EHEBRN C[C@@H]1C[C@H]2[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC(=O)[C@]2(F)[C@@]2(C)CCC(=O)C=C12 ZINC000118930676 221205180 /nfs/dbraw/zinc/20/51/80/221205180.db2.gz ROEQORMRPIEYSE-VCVJTVPDSA-N 0 0 348.458 3.786 40 30 EHEBRN C[C@H]1C[C@H]2[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC(=O)[C@]2(F)[C@@]2(C)CCC(=O)C=C12 ZINC000118930677 221205473 /nfs/dbraw/zinc/20/54/73/221205473.db2.gz ROEQORMRPIEYSE-SCFOJQAASA-N 0 0 348.458 3.786 40 30 EHEBRN COc1cc(C#N)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000004494087 257868476 /nfs/dbraw/zinc/86/84/76/257868476.db2.gz AIQPBYDQXRJEBN-UHFFFAOYSA-N 0 0 330.771 3.546 40 30 EHEBRN C=C[C@@H](C)N1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O ZINC000408961325 257885321 /nfs/dbraw/zinc/88/53/21/257885321.db2.gz ROGAIJWJGRREJL-OPCAMPFDSA-N 0 0 328.437 3.898 40 30 EHEBRN CC(C)COc1ccc(/C=N/NC(=S)NCc2ccccc2)cc1 ZINC000408600993 257894713 /nfs/dbraw/zinc/89/47/13/257894713.db2.gz IFLZMVNIEQQHHR-FYJGNVAPSA-N 0 0 341.480 3.720 40 30 EHEBRN C=CCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC ZINC000014397154 257858598 /nfs/dbraw/zinc/85/85/98/257858598.db2.gz IIFUBNKQXCYWII-UHFFFAOYSA-N 0 0 326.352 3.893 40 30 EHEBRN COc1ccccc1/C=C/C=N\N1CCN(Cc2ccccc2)CC1 ZINC000019771554 258057361 /nfs/dbraw/zinc/05/73/61/258057361.db2.gz SXOUUKQWOKMHEP-QWQNUTRASA-N 0 0 335.451 3.512 40 30 EHEBRN CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC(C)=O)cc1C#N ZINC000225827840 535129187 /nfs/dbraw/zinc/12/91/87/535129187.db2.gz XIZMRPLTBSNIEK-LJQANCHMSA-N 0 0 346.427 3.798 40 30 EHEBRN N=C(NOC(=O)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl ZINC000006511641 563570798 /nfs/dbraw/zinc/57/07/98/563570798.db2.gz JQDJELYHQZNUIS-UHFFFAOYSA-N 0 0 330.986 3.531 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)[C@H](C)[C@]12C ZINC000030728862 563910338 /nfs/dbraw/zinc/91/03/38/563910338.db2.gz JLOPYNSMWUXMEO-FJKSHLSCSA-N 0 0 344.495 3.940 40 30 in-vitro EHEBRN Cc1cc(Cl)nc(NC(=N)Nc2ccc(Cl)c(Cl)c2)n1 ZINC000031717025 563912923 /nfs/dbraw/zinc/91/29/23/563912923.db2.gz UPBWVYJXRIWICO-UHFFFAOYSA-N 0 0 330.606 3.804 40 30 EHEBRN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OC)c(Cl)c1 ZINC000222651228 563966530 /nfs/dbraw/zinc/96/65/30/563966530.db2.gz GKTKFRMPPXQHNW-UHFFFAOYSA-N 0 0 344.798 3.517 40 30 EHEBRN N#CCN1CCC2(CC1)OCCN(c1ccccc1)c1ccccc12 ZINC000096080323 563979117 /nfs/dbraw/zinc/97/91/17/563979117.db2.gz XVIJUPJTMRPGTC-UHFFFAOYSA-N 0 0 333.435 3.670 40 30 EHEBRN CCOC(=O)c1sc2nc3c(c(C#N)c2c1N)CCCCCC3 ZINC000085409557 563986328 /nfs/dbraw/zinc/98/63/28/563986328.db2.gz QJLVPMBALYSCLR-UHFFFAOYSA-N 0 0 329.425 3.586 40 30 EHEBRN C=CCNC(=O)c1ccc(OC)c(COc2ccccc2Cl)c1 ZINC000224131467 563992584 /nfs/dbraw/zinc/99/25/84/563992584.db2.gz IJSONLYUTGYXRY-UHFFFAOYSA-N 0 0 331.799 3.843 40 30 EHEBRN C=CCNC(=O)c1ccccc1NC(=S)Nc1ccc(C)cc1 ZINC000225453489 563995862 /nfs/dbraw/zinc/99/58/62/563995862.db2.gz VJMJGSQONIERAH-UHFFFAOYSA-N 0 0 325.437 3.720 40 30 EHEBRN C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(C(C)(C)C)cc1 ZINC000408770972 564007158 /nfs/dbraw/zinc/00/71/58/564007158.db2.gz CXOQGNNSEOTTDX-HMMYKYKNSA-N 0 0 344.480 3.995 40 30 EHEBRN C#CCn1cc(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000408931432 564008105 /nfs/dbraw/zinc/00/81/05/564008105.db2.gz LMIWZHKEUHULTB-XQNSMLJCSA-N 0 0 343.430 3.862 40 30 EHEBRN C=CCOc1cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000409030210 564009071 /nfs/dbraw/zinc/00/90/71/564009071.db2.gz CMNDPXPYNQYDGK-ODCIPOBUSA-N 0 0 344.230 3.965 40 30 EHEBRN C=CCOc1c(Br)cc(/C=N/O)cc1Br ZINC000409041075 564009077 /nfs/dbraw/zinc/00/90/77/564009077.db2.gz ICNNBTVYKFLLNN-AWNIVKPZSA-N 0 0 334.995 3.585 40 30 EHEBRN C=CCOc1ccc(/C=C2\SC(=O)N(C(C)C)C2=O)cc1OC ZINC000409062207 564009324 /nfs/dbraw/zinc/00/93/24/564009324.db2.gz PTCRCETZGCBYMF-GDNBJRDFSA-N 0 0 333.409 3.705 40 30 EHEBRN N#Cc1ccccc1-c1ccc(CN=Nc2ncccc2[N+](=O)[O-])o1 ZINC000409108097 564010190 /nfs/dbraw/zinc/01/01/90/564010190.db2.gz RTQSMQCGMQVTDN-RGVLZGJSSA-N 0 0 333.307 3.567 40 30 EHEBRN C#CCN1C(=O)S/C(=C\c2cn(CC(C)C)c3ccccc23)C1=O ZINC000409140264 564010491 /nfs/dbraw/zinc/01/04/91/564010491.db2.gz QSMKSQSHSAGAND-YVLHZVERSA-N 0 0 338.432 3.967 40 30 EHEBRN C=CCN1C(=O)N/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)C1=O ZINC000409148923 564010493 /nfs/dbraw/zinc/01/04/93/564010493.db2.gz UMXWAZDZDJUNDR-LFIBNONCSA-N 0 0 341.798 3.518 40 30 EHEBRN Cc1ccc(Sc2ccc(C=NN3C(=O)CSC3=S)o2)cc1 ZINC000409350505 564011827 /nfs/dbraw/zinc/01/18/27/564011827.db2.gz YHFIIXZTTLKNQA-LZYBPNLTSA-N 0 0 348.474 3.933 40 30 EHEBRN C[C@@H](NC(=S)N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000013556499 564020228 /nfs/dbraw/zinc/02/02/28/564020228.db2.gz NPDAWMNNMAFEEV-MRXNPFEDSA-N 0 0 325.481 3.856 40 30 EHEBRN CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC#N)cc1 ZINC000013758738 564020684 /nfs/dbraw/zinc/02/06/84/564020684.db2.gz HNRZDNFXDSDREU-QHAWAJNXSA-N 0 0 341.499 3.724 40 30 EHEBRN CC(=O)C1=CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000118926660 564025065 /nfs/dbraw/zinc/02/50/65/564025065.db2.gz XDMKIFRLARGPLV-NNRXQORDSA-N 0 0 328.452 3.903 40 30 EHEBRN C/N=C1\S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)C(=O)N1C ZINC000223525117 564040302 /nfs/dbraw/zinc/04/03/02/564040302.db2.gz OLSIWUOCUFMGSI-KXMZAXPHSA-N 0 0 343.496 3.941 40 30 EHEBRN CCCCCCCCCCCCCCCC(=O)[C@H](O)[C@H](O)CO ZINC000113364025 564065434 /nfs/dbraw/zinc/06/54/34/564065434.db2.gz JDDQUGLCHBTOIL-MOPGFXCFSA-N 0 0 330.509 3.751 40 30 EHEBRN COc1ccc(OC)c(C(=O)/C=C/c2cccc(OC)c2OC)c1 ZINC000005129405 564066143 /nfs/dbraw/zinc/06/61/43/564066143.db2.gz NJMAUFDDOYNISH-CSKARUKUSA-N 0 0 328.364 3.617 40 30 EHEBRN CCCCSc1nc(N)c(C#N)c(COc2ccccc2C)n1 ZINC000223682418 564081753 /nfs/dbraw/zinc/08/17/53/564081753.db2.gz SIAJYYFCDUDDPS-UHFFFAOYSA-N 0 0 328.441 3.710 40 30 EHEBRN CC[C@@H](C)Sc1nc(N)c(C#N)c(COc2ccc(F)cc2)n1 ZINC000223688572 564081810 /nfs/dbraw/zinc/08/18/10/564081810.db2.gz AMLQAMXLYROHHK-SNVBAGLBSA-N 0 0 332.404 3.539 40 30 EHEBRN C=CCOc1ccc(C(=O)Nc2ccc(C(=O)OCC)cc2C)cc1 ZINC000219640301 564084148 /nfs/dbraw/zinc/08/41/48/564084148.db2.gz TTZFJTMLPKSVON-UHFFFAOYSA-N 0 0 339.391 3.989 40 30 EHEBRN C=CCOc1ccc(C(=O)N[C@@H](C)COc2ccccc2C)cc1 ZINC000219641917 564084159 /nfs/dbraw/zinc/08/41/59/564084159.db2.gz DZAOUNGGLFTPLU-INIZCTEOSA-N 0 0 325.408 3.757 40 30 EHEBRN C=C(C)COc1cccc(C(=O)NCCSCc2ccco2)c1 ZINC000219779557 564084174 /nfs/dbraw/zinc/08/41/74/564084174.db2.gz IUHGGWVLTHVMRY-UHFFFAOYSA-N 0 0 331.437 3.898 40 30 EHEBRN COc1ccc(OC)c(-c2c(C#N)c(=S)[nH]c3c2CCCC3)c1 ZINC000028465531 564085798 /nfs/dbraw/zinc/08/57/98/564085798.db2.gz POKYLYIEXRBJQW-AWEZNQCLSA-N 0 0 326.421 3.953 40 30 EHEBRN O=[N+]([O-])c1cc(C=NN=c2[nH]c3ccccc3s2)cc([N+](=O)[O-])c1 ZINC000253575288 564124688 /nfs/dbraw/zinc/12/46/88/564124688.db2.gz UKYSDVRURRAZBU-OVCLIPMQSA-N 0 0 343.324 3.559 40 30 EHEBRN C#CCOc1ccc(/C=N/NCc2ccc(Cl)cc2)cc1OCC ZINC000009879480 564127632 /nfs/dbraw/zinc/12/76/32/564127632.db2.gz NVTHAHLEULVARM-HYARGMPZSA-N 0 0 342.826 3.874 40 30 EHEBRN COc1cc(C)c(CN=Nc2ccc([N+](=O)[O-])cn2)cc1C(C)C ZINC000015231210 564129859 /nfs/dbraw/zinc/12/98/59/564129859.db2.gz GUIROXCTPPWDMA-OCKHKDLRSA-N 0 0 328.372 3.876 40 30 EHEBRN Cc1ccc2cc(C#N)c(SCC(=O)NC3CCCC3)nc2c1C ZINC000000413494 564133176 /nfs/dbraw/zinc/13/31/76/564133176.db2.gz UBSNDWQSJUUJOG-UHFFFAOYSA-N 0 0 339.464 3.874 40 30 EHEBRN CCOC(=O)C[C@@H](n1nc(C(F)F)cc1C(F)F)C(F)(F)F ZINC000685936626 564133270 /nfs/dbraw/zinc/13/32/70/564133270.db2.gz LQQPGCQOSUYBRI-SSDOTTSWSA-N 0 0 336.207 3.815 40 30 EHEBRN COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCC[C@H](C)[C@@H]1C ZINC000109033982 564133464 /nfs/dbraw/zinc/13/34/64/564133464.db2.gz HYTMBMKVNRHTFC-ZOBUZTSGSA-N 0 0 344.455 3.667 40 30 EHEBRN FC(F)(F)C(F)(F)[C@@]1(Cl)O[C@](F)(Cl)[C@](F)(Cl)O1 ZINC000258330041 564135137 /nfs/dbraw/zinc/13/51/37/564135137.db2.gz BWYRANFJTUHOHT-KPIAHEAESA-N 0 0 331.398 3.848 40 30 EHEBRN N#Cc1c(N)n(-c2cccnc2)nc1-c1ccc(Cl)cc1Cl ZINC000039955338 213246174 /nfs/dbraw/zinc/24/61/74/213246174.db2.gz PEGRNWNRAFPQJS-UHFFFAOYSA-N 0 0 330.178 3.695 40 30 EHEBRN Cc1ccc(F)cc1-n1nc(-c2ccc(F)cc2F)c(C#N)c1N ZINC000039955419 213246178 /nfs/dbraw/zinc/24/61/78/213246178.db2.gz LGKJIDQTGZUTOB-UHFFFAOYSA-N 0 0 328.297 3.719 40 30 EHEBRN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C#N)[C@@H]2c2cccc(Cl)c2)cc1 ZINC000218527857 241328362 /nfs/dbraw/zinc/32/83/62/241328362.db2.gz HABCYFGCFVRUEK-YESZJQIVSA-N 0 0 331.824 3.728 40 30 EHEBRN C=CCOc1ccc(C(=O)NCCCc2ccccc2OC)cc1 ZINC000219639171 241401120 /nfs/dbraw/zinc/40/11/20/241401120.db2.gz QNSMVEPVNLAJTK-UHFFFAOYSA-N 0 0 325.408 3.623 40 30 EHEBRN CCCOC1(C(=O)Nc2ccc(OC(C)=O)cc2C#N)CCCCC1 ZINC000225852032 242062505 /nfs/dbraw/zinc/06/25/05/242062505.db2.gz UUGLNGMMBSOJJG-UHFFFAOYSA-N 0 0 344.411 3.552 40 30 EHEBRN COc1ccc([C@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000020672517 212160049 /nfs/dbraw/zinc/16/00/49/212160049.db2.gz XEBUHWHKKYYDQN-IBGZPJMESA-N 0 0 333.391 3.923 40 30 EHEBRN COc1ccccc1[C@H]1C(C(C)=O)C(C)=Nc2nc3ccccc3n21 ZINC000020672612 212160896 /nfs/dbraw/zinc/16/08/96/212160896.db2.gz PIGNCOINVIZIQF-IBGZPJMESA-N 0 0 333.391 3.923 40 30 EHEBRN CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C[C@@H]3O[C@@]32C1 ZINC000012655546 211429715 /nfs/dbraw/zinc/42/97/15/211429715.db2.gz RUQCGCWODJEVJZ-QKWYZMCSSA-N 0 0 346.467 3.661 40 30 EHEBRN COc1ccc(/C(C)=N\N=C\c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000005503097 210477592 /nfs/dbraw/zinc/47/75/92/210477592.db2.gz KGJYOQSRHMLPQG-STLXZYOISA-N 0 0 342.395 3.564 40 30 EHEBRN O=[N+]([O-])c1ccccc1CN=Nc1nnc(Cl)c2ccccc21 ZINC000005003785 210359454 /nfs/dbraw/zinc/35/94/54/210359454.db2.gz DWMBCEAZVVUZSC-RQZCQDPDSA-N 0 0 327.731 3.637 40 30 EHEBRN C/C(=N/O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C ZINC000118914869 221203016 /nfs/dbraw/zinc/20/30/16/221203016.db2.gz XETDBTMQGVJJOY-ZBPJAWPCSA-N 0 0 345.483 3.667 40 30 EHEBRN C[C@@H](O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C ZINC000118923298 221204193 /nfs/dbraw/zinc/20/41/93/221204193.db2.gz RNDKPONEBPMNRB-VYPWCMSWSA-N 0 0 346.511 3.732 40 30 EHEBRN Cc1ccc(/N=C/c2cn(CC(N)=O)c3ccccc23)cc1Cl ZINC000409385864 257871497 /nfs/dbraw/zinc/87/14/97/257871497.db2.gz NODUQLFZLYDZBL-ZVBGSRNCSA-N 0 0 325.799 3.839 40 30 EHEBRN CN(c1cccc(/N=C/c2cccc3ccccc23)c1)S(C)(=O)=O ZINC000409184595 257875778 /nfs/dbraw/zinc/87/57/78/257875778.db2.gz MHDDRPKPBGWARO-XSFVSMFZSA-N 0 0 338.432 3.986 40 30 EHEBRN O=[N+]([O-])c1cccnc1N=NCc1ccc(-c2ccc(F)cc2)o1 ZINC000409108278 257879069 /nfs/dbraw/zinc/87/90/69/257879069.db2.gz ZGVHQAYZKVMHER-VXLYETTFSA-N 0 0 326.287 3.835 40 30 EHEBRN CCCCCCCC(=O)N1NC2=C(CCCC2)[C@@]1(O)C(F)(F)F ZINC000408751418 257889214 /nfs/dbraw/zinc/88/92/14/257889214.db2.gz OMZLULSBNBOUCI-IUODEOHRSA-N 0 0 334.382 3.986 40 30 EHEBRN COc1cc(Cl)c(C=NNc2nc3ccccc3[nH]2)cc1OC ZINC000408590563 257895016 /nfs/dbraw/zinc/89/50/16/257895016.db2.gz PQDVSSROVIXKRQ-GIJQJNRQSA-N 0 0 330.775 3.680 40 30 EHEBRN N#Cc1c2c(sc1NC(=O)c1ccc3nsnc3c1)CCCC2 ZINC000059294604 257850657 /nfs/dbraw/zinc/85/06/57/257850657.db2.gz TVMXJJVBNZSMPK-UHFFFAOYSA-N 0 0 340.433 3.756 40 30 EHEBRN C=CCSc1nnc(NC(=O)COc2ccccc2C(C)C)s1 ZINC000007594258 519086964 /nfs/dbraw/zinc/08/69/64/519086964.db2.gz RDSVNFRYBPEEIA-UHFFFAOYSA-N 0 0 349.481 3.957 40 30 EHEBRN C=CCc1cc(C(=O)NCCCc2ccc(OC)cc2)ccc1OC ZINC000218656002 534408032 /nfs/dbraw/zinc/40/80/32/534408032.db2.gz WTVLJLRVDSXAPG-UHFFFAOYSA-N 0 0 339.435 3.795 40 30 EHEBRN C=CCc1cc(C(=O)N[C@H](C)COc2ccccc2C)ccc1OC ZINC000218657522 534411449 /nfs/dbraw/zinc/41/14/49/534411449.db2.gz SIFREQIWFADNTR-MRXNPFEDSA-N 0 0 339.435 3.929 40 30 EHEBRN Cc1ccccc1CSc1nnc(NN=Cc2ccccc2O)[nH]1 ZINC000006318951 525186759 /nfs/dbraw/zinc/18/67/59/525186759.db2.gz NJPFUALZNPZXHS-VCHYOVAHSA-N 0 0 339.424 3.557 40 30 EHEBRN CCCOc1ccc(NC(=O)[C@@](C)(OCCC)C2CC2)cc1C#N ZINC000225858238 535275293 /nfs/dbraw/zinc/27/52/93/535275293.db2.gz UYCONQXCLTWTGK-IBGZPJMESA-N 0 0 330.428 3.881 40 30 EHEBRN CCOc1c(I)cc(C(C)(C)C)cc1C#N ZINC000225292816 535654568 /nfs/dbraw/zinc/65/45/68/535654568.db2.gz CMULFOQPMDVFCL-UHFFFAOYSA-N 0 0 329.181 3.859 40 30 EHEBRN C#CCOc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1OCC ZINC000408557299 563475931 /nfs/dbraw/zinc/47/59/31/563475931.db2.gz MJLRWGLDZPYRCK-UHFFFAOYSA-N 0 0 326.352 3.618 40 30 EHEBRN CCN1/C(=N/c2cccnc2)SC[C@@]1(O)c1ccc(Cl)cc1 ZINC000005928261 563554336 /nfs/dbraw/zinc/55/43/36/563554336.db2.gz FDJVWXRSYLGFAD-URTGMZOISA-N 0 0 333.844 3.637 40 30 EHEBRN COc1ccc(/C=C/C(C[C@H](NO)c2ccc(OC)cc2)=N/O)cc1 ZINC000006018141 563557436 /nfs/dbraw/zinc/55/74/36/563557436.db2.gz NJAQMAVGELKCCS-LFRVSSIJSA-N 0 0 342.395 3.657 40 30 EHEBRN CC(C)(C)C(=O)O/N=C1/c2ccccc2-c2nc3ccccc3nc21 ZINC000038821784 563893332 /nfs/dbraw/zinc/89/33/32/563893332.db2.gz SILDTDFOFHGEIQ-QJOMJCCJSA-N 0 0 331.375 3.952 40 30 EHEBRN C#Cc1cccc(OCc2ccccc2I)c1 ZINC000199770398 563971192 /nfs/dbraw/zinc/97/11/92/563971192.db2.gz CWJQARVZPPFVDJ-UHFFFAOYSA-N 0 0 334.156 3.852 40 30 EHEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN(C)C)sc2C1 ZINC000014218213 563983463 /nfs/dbraw/zinc/98/34/63/563983463.db2.gz LCRRYUCTODCQBZ-GFCCVEGCSA-N 0 0 333.501 3.661 40 30 EHEBRN C=CCNC(=O)c1ccc(OC)c(COc2ccc(Cl)cc2)c1 ZINC000224154169 563992642 /nfs/dbraw/zinc/99/26/42/563992642.db2.gz IDVKBGOSCGWEJC-UHFFFAOYSA-N 0 0 331.799 3.843 40 30 EHEBRN C=CCNC(=O)c1ccc(OCC)c(COCc2ccccc2)c1 ZINC000224744541 563994847 /nfs/dbraw/zinc/99/48/47/563994847.db2.gz PEQXRRDHGPNSPE-UHFFFAOYSA-N 0 0 325.408 3.718 40 30 EHEBRN C=CCOc1cccc(NC(=S)NCc2ccccc2OC)c1 ZINC000225313468 563995811 /nfs/dbraw/zinc/99/58/11/563995811.db2.gz LVXLDDBSTJHCOJ-UHFFFAOYSA-N 0 0 328.437 3.747 40 30 EHEBRN C=CCOc1ccc(NC(=S)NCCN(C)c2ccccc2)cc1 ZINC000225572035 563995951 /nfs/dbraw/zinc/99/59/51/563995951.db2.gz JHMQAKZTRRNVPM-UHFFFAOYSA-N 0 0 341.480 3.674 40 30 EHEBRN COc1ccc(C2N=NC(=S)N2N=Cc2c[nH]c3ccccc23)cc1 ZINC000245242051 563996040 /nfs/dbraw/zinc/99/60/40/563996040.db2.gz XZSUQZONOBRLTG-UHFFFAOYSA-N 0 0 349.419 3.606 40 30 EHEBRN Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(F)cc1)CCCC3 ZINC000000356817 563996898 /nfs/dbraw/zinc/99/68/98/563996898.db2.gz DKIBIBMRDIZRKP-KEBDBYFISA-N 0 0 341.411 3.667 40 30 EHEBRN COc1ccc(C(=O)C=CNc2cccc([C@H](C)O)c2)cc1OC ZINC000409057384 564009260 /nfs/dbraw/zinc/00/92/60/564009260.db2.gz PBQSIBOMGKTNFC-LXKVQUBZSA-N 0 0 327.380 3.566 40 30 EHEBRN COc1cc(C(=O)C=CN[C@@H](C)c2ccccc2)cc(OC)c1OC ZINC000409060128 564009282 /nfs/dbraw/zinc/00/92/82/564009282.db2.gz TUGPWTKQUSVGJX-VNDWYCCKSA-N 0 0 341.407 3.760 40 30 EHEBRN C#CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CC)C1=O ZINC000409075381 564009396 /nfs/dbraw/zinc/00/93/96/564009396.db2.gz XUUYEELQLIVIIY-SFQUDFHCSA-N 0 0 337.400 3.908 40 30 EHEBRN CC/N=C1\S/C(=C\c2ccc(N3CCCC3)c(F)c2)C(=O)N1CC ZINC000409069194 564009397 /nfs/dbraw/zinc/00/93/97/564009397.db2.gz WOJPGQDXFPMLQU-SOBIRXOSSA-N 0 0 347.459 3.738 40 30 EHEBRN COc1ccc(/N=C/c2cn(CC(N)=O)c3ccccc23)cc1Cl ZINC000409385129 564011933 /nfs/dbraw/zinc/01/19/33/564011933.db2.gz JKARNYRMNBSGLC-ZVBGSRNCSA-N 0 0 341.798 3.539 40 30 EHEBRN Cc1cc(/C=N\n2cnnc2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000014137938 564021479 /nfs/dbraw/zinc/02/14/79/564021479.db2.gz LHFCTTCCMKYDKR-SCDVKCJHSA-N 0 0 334.210 3.875 40 30 EHEBRN Cc1nc2n(n1)[C@H](c1ccc(C(C)C)cc1)C1C(=O)C[C@H](C)CC1=N2 ZINC000014608130 564023628 /nfs/dbraw/zinc/02/36/28/564023628.db2.gz YYFJVKKCRZJLSQ-CWTRNNRKSA-N 0 0 336.439 3.978 40 30 EHEBRN COc1ccc(CN/N=C(\C)c2cc(C)c(O)c(C)c2)cc1OC ZINC000216058829 564033781 /nfs/dbraw/zinc/03/37/81/564033781.db2.gz GVUNHRUJLCIUBP-KGENOOAVSA-N 0 0 328.412 3.540 40 30 EHEBRN N#Cc1cc2ccccc2nc1SCC(=O)N1CCc2ccccc21 ZINC000001331045 564063168 /nfs/dbraw/zinc/06/31/68/564063168.db2.gz USVVWARYILWLOM-UHFFFAOYSA-N 0 0 345.427 3.788 40 30 EHEBRN C=CCn1ncc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)c1C ZINC000057811147 564065190 /nfs/dbraw/zinc/06/51/90/564065190.db2.gz FULRDEGIXMFKPE-FQEVSTJZSA-N 0 0 343.446 3.698 40 30 EHEBRN C=CCOc1cccc(NC(=O)CCc2ccc(OC)c(OC)c2)c1 ZINC000030849247 564079297 /nfs/dbraw/zinc/07/92/97/564079297.db2.gz QXHDAYDQHUXLRA-UHFFFAOYSA-N 0 0 341.407 3.840 40 30 EHEBRN C#CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC ZINC000033436363 564079372 /nfs/dbraw/zinc/07/93/72/564079372.db2.gz XDMUGGSDOZLKNG-QGOAFFKASA-N 0 0 346.386 3.513 40 30 EHEBRN O=C(c1ccccc1)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccco1 ZINC000107587590 564129960 /nfs/dbraw/zinc/12/99/60/564129960.db2.gz XSCWUAWURGWXEM-LJQANCHMSA-N 0 0 344.370 3.928 40 30 EHEBRN CCc1ccc2nc(SCC(=O)N3CCCCC3)c(C#N)cc2c1 ZINC000000411053 564133171 /nfs/dbraw/zinc/13/31/71/564133171.db2.gz PLKOHEZGMLKTIT-UHFFFAOYSA-N 0 0 339.464 3.773 40 30 EHEBRN CCOc1c(OC)cc(C#N)cc1C(=O)Nc1ccccc1Cl ZINC000408583173 564133644 /nfs/dbraw/zinc/13/36/44/564133644.db2.gz SDQLGZDRXMNXAT-UHFFFAOYSA-N 0 0 330.771 3.871 40 30 EHEBRN CC(C)Nc1nc(Nc2cccc(F)c2C#N)cc(-c2ccccc2)n1 ZINC000329070957 564137659 /nfs/dbraw/zinc/13/76/59/564137659.db2.gz ZMFGGFRERXXHPN-UHFFFAOYSA-N 0 0 347.397 3.562 40 30 EHEBRN C[C@@H]1C[C@H](C)CN(c2c(N)cc(C#N)n2Cc2cccc(F)c2)C1 ZINC000225868102 564150854 /nfs/dbraw/zinc/15/08/54/564150854.db2.gz BMASLHQGRFAARQ-OKILXGFUSA-N 0 0 326.419 3.612 40 30 EHEBRN C=C1C(=O)O[C@@H]2C=C(C)C[C@H]3C=C(CCC=C(C)CC[C@@H]12)C(=O)O3 ZINC000263601139 1037241555 /nfs/dbraw/zinc/24/15/55/1037241555.db2.gz KTYZKXFERQUCPX-OKZBNKHCSA-N 0 0 328.408 3.793 40 30 biogenic,in-vitro EHEBRN N#CCc1ccc(NC(=O)Cc2cccc(Br)c2)cc1 ZINC000051606133 214098799 /nfs/dbraw/zinc/09/87/99/214098799.db2.gz IAKWYIYMBROOHK-UHFFFAOYSA-N 0 0 329.197 3.696 40 30 EHEBRN COc1ccc(C(=O)C=C(C)Nc2ccc(OC)cc2OC)cc1 ZINC000003058747 209959764 /nfs/dbraw/zinc/95/97/64/209959764.db2.gz PWLWGNMARPQVML-ACCUITESSA-N 0 0 327.380 3.911 40 30 EHEBRN Fc1c(F)c(F)c(C(F)(F)F)c(I)c1F ZINC000001583747 209762009 /nfs/dbraw/zinc/76/20/09/209762009.db2.gz KRPNOQJVTIUPHA-UHFFFAOYSA-N 0 0 343.967 3.866 40 30 EHEBRN COc1cccc(-n2nc(-c3ccc(C)cc3Cl)c(C#N)c2N)c1 ZINC000039955158 213244948 /nfs/dbraw/zinc/24/49/48/213244948.db2.gz DFMSKQUTUWNGIO-UHFFFAOYSA-N 0 0 338.798 3.964 40 30 EHEBRN CO[C@]1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCC[C@H](C)C1 ZINC000225808776 242046912 /nfs/dbraw/zinc/04/69/12/242046912.db2.gz CBWHVLZLNIJAEC-IFXJQAMLSA-N 0 0 330.428 3.879 40 30 EHEBRN CCOC1(C(=O)Nc2ccc(OCC(C)C)cc2C#N)CCCC1 ZINC000225829194 242054109 /nfs/dbraw/zinc/05/41/09/242054109.db2.gz XLRDWQHCOQTRKO-UHFFFAOYSA-N 0 0 330.428 3.881 40 30 EHEBRN COc1cc([C@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)ccc1O ZINC000020797154 212171166 /nfs/dbraw/zinc/17/11/66/212171166.db2.gz XKZUYXZXSYKXMH-IBGZPJMESA-N 0 0 349.390 3.628 40 30 EHEBRN CCOc1cccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c1 ZINC000019972682 212092992 /nfs/dbraw/zinc/09/29/92/212092992.db2.gz FIBVDRJPDKAJRE-UHFFFAOYSA-N 0 0 337.419 3.786 40 30 EHEBRN CC/N=C1\S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1C1CCCC1 ZINC000017084808 211954511 /nfs/dbraw/zinc/95/45/11/211954511.db2.gz DFSVEJXBWMJEBL-OHBWFZAWSA-N 0 0 344.436 3.650 40 30 EHEBRN C=CCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCCC2 ZINC000015609357 211835222 /nfs/dbraw/zinc/83/52/22/211835222.db2.gz PAQFEOBFQDRIGR-UHFFFAOYSA-N 0 0 334.419 3.734 40 30 EHEBRN COc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000012481842 211392443 /nfs/dbraw/zinc/39/24/43/211392443.db2.gz XLSVIBMMSWWCPK-KGENOOAVSA-N 0 0 343.858 3.500 40 30 EHEBRN COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(O)C=C(C(C)C)C(=O)C[C@H]12 ZINC000005715500 210523012 /nfs/dbraw/zinc/52/30/12/210523012.db2.gz HDHZYDQBOSLOST-KZEVZHLLSA-N 0 0 348.483 3.668 40 30 EHEBRN CC(=O)[C@H]1C[C@@H](O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005167210 210404817 /nfs/dbraw/zinc/40/48/17/210404817.db2.gz LEWIUXKKQXGQRR-XCEZYFHXSA-N 0 0 330.468 3.694 40 30 in-vitro EHEBRN C=CCNc1c(C)c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn21 ZINC000004966214 210341530 /nfs/dbraw/zinc/34/15/30/210341530.db2.gz QUTAMGLURGDQBC-UHFFFAOYSA-N 0 0 338.411 3.628 40 30 EHEBRN Cc1ccc(C(=O)O/N=C2/C(C)=CC(=O)[C@H]3[C@H]4C=C[C@H](CC4)[C@H]23)cc1 ZINC000004844022 210297844 /nfs/dbraw/zinc/29/78/44/210297844.db2.gz PBYYFCHSPLMSBR-AMJSUBBZSA-N 0 0 335.403 3.865 40 30 EHEBRN Cc1ccc(C(C)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C ZINC000006672641 257865929 /nfs/dbraw/zinc/86/59/29/257865929.db2.gz NUCBMPJBUNBNNT-SFQUDFHCSA-N 0 0 328.328 3.956 40 30 EHEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cccn2C)S1 ZINC000409099699 257879601 /nfs/dbraw/zinc/87/96/01/257879601.db2.gz SDNZCAFJWHHFPC-ZROIWOOFSA-N 0 0 331.828 3.879 40 30 EHEBRN COc1cc(Cl)cc(C=NNc2ccc(C(F)(F)F)cn2)c1O ZINC000409093825 257879923 /nfs/dbraw/zinc/87/99/23/257879923.db2.gz AOUXMRMCNYOOAS-CGOBSMCZSA-N 0 0 345.708 3.914 40 30 EHEBRN C=CCOc1c(/C=C2\SC(=O)N(CCC)C2=O)cccc1OC ZINC000408536423 257897626 /nfs/dbraw/zinc/89/76/26/257897626.db2.gz ZJIGCWCKWACING-KAMYIIQDSA-N 0 0 333.409 3.706 40 30 EHEBRN C=CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=S ZINC000033636384 257855111 /nfs/dbraw/zinc/85/51/11/257855111.db2.gz UGIBEWDIBNVIIU-QINSGFPZSA-N 0 0 330.478 3.674 40 30 EHEBRN C=C(C)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]21C ZINC000253617446 258073489 /nfs/dbraw/zinc/07/34/89/258073489.db2.gz NJXQZDNABHJQBG-UKUMXFBISA-N 0 0 344.495 3.796 40 30 EHEBRN C=CCNC(=O)c1ccc([N+](=O)[O-])cc1SCc1ccccc1 ZINC000003617177 518938609 /nfs/dbraw/zinc/93/86/09/518938609.db2.gz RMYGQBXWUSIYNS-UHFFFAOYSA-N 0 0 328.393 3.803 40 30 EHEBRN C=CCOc1cccc(NC(=S)NCCc2ccc(OC)cc2)c1 ZINC000063790955 519057470 /nfs/dbraw/zinc/05/74/70/519057470.db2.gz PPRUKNXUUUKYIQ-UHFFFAOYSA-N 0 0 342.464 3.789 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@H](CC)Oc2ccc(C)cc2)s1 ZINC000222553362 519089471 /nfs/dbraw/zinc/08/94/71/519089471.db2.gz MCLSNVJBRUCDPE-ZDUSSCGKSA-N 0 0 349.481 3.921 40 30 EHEBRN C=CCn1cc(CN(Cc2ccc(F)cc2)C[C@@H]2CCCO2)c(C)n1 ZINC000013993915 519278713 /nfs/dbraw/zinc/27/87/13/519278713.db2.gz SQBRJCNEGDIPGW-FQEVSTJZSA-N 0 0 343.446 3.698 40 30 EHEBRN CCOC(=O)/C(=N\Nc1ccccc1Cl)N1CCCC[C@H]1CC ZINC000003180085 520399265 /nfs/dbraw/zinc/39/92/65/520399265.db2.gz WUVXNDRYXAVHCA-MMOSJZJFSA-N 0 0 337.851 3.893 40 30 EHEBRN FC(F)(F)[C@@]1(F)OC(F)(F)[C@@](F)(C(F)(F)F)OC1(F)F ZINC000060010134 537699478 /nfs/dbraw/zinc/69/94/78/537699478.db2.gz NCWPXDOVVTVZBC-JCYAYHJZSA-N 0 0 332.040 3.675 40 30 EHEBRN FC(F)(F)O[C@@](F)(/C=C/I)C(F)(F)F ZINC000016125611 563803915 /nfs/dbraw/zinc/80/39/15/563803915.db2.gz NSLKTPQPESHEBK-GODVDRNPSA-N 0 0 337.960 3.700 40 30 EHEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(Br)o2)c1 ZINC000408587885 563486394 /nfs/dbraw/zinc/48/63/94/563486394.db2.gz ALDABHRKUKRYIY-VGOFMYFVSA-N 0 0 325.118 3.501 40 30 EHEBRN CCCCCCCNC(=O)C(=O)Nc1ccccc1C(F)(F)F ZINC000408708921 563595996 /nfs/dbraw/zinc/59/59/96/563595996.db2.gz NFNXXBIJNWCHKC-UHFFFAOYSA-N 0 0 330.350 3.731 40 30 EHEBRN C=CCOc1ccc(N(CC=C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000224925199 563995217 /nfs/dbraw/zinc/99/52/17/563995217.db2.gz XBRUTKBAPVPTKD-UHFFFAOYSA-N 0 0 347.411 3.772 40 30 EHEBRN C=CCN1C(=O)/C(=C\c2ccc(C(C)C)cc2)C(C(=O)OC)=C1C ZINC000408770367 564007136 /nfs/dbraw/zinc/00/71/36/564007136.db2.gz WPGZRGHQHZAFDC-ATVHPVEESA-N 0 0 325.408 3.669 40 30 EHEBRN O=C1CCCC2=C1C(c1c[nH]c3ccccc31)C1=C(CCCC1=O)N2 ZINC000408897660 564007872 /nfs/dbraw/zinc/00/78/72/564007872.db2.gz NPTMEXXAEFOQQW-UHFFFAOYSA-N 0 0 332.403 3.869 40 30 EHEBRN COc1ccc(-n2cccc2C=C2C(=O)c3ccccc3C2=O)cc1 ZINC000408954728 564008237 /nfs/dbraw/zinc/00/82/37/564008237.db2.gz UVTDTKFKLTUSRQ-UHFFFAOYSA-N 0 0 329.355 3.949 40 30 EHEBRN C#CCOc1ccc(/C=C2\SC(=O)N(CCCCC)C2=O)cc1 ZINC000409203333 564011056 /nfs/dbraw/zinc/01/10/56/564011056.db2.gz XFXREVIUSGEWDU-SSZFMOIBSA-N 0 0 329.421 3.925 40 30 EHEBRN CCn1cccc1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000409404065 564012041 /nfs/dbraw/zinc/01/20/41/564012041.db2.gz JYBULQMQNNFPAA-UHFFFAOYSA-N 0 0 342.402 3.767 40 30 EHEBRN COc1cc(OC)c(OC)cc1C=NN=c1[nH]c2ccccc2s1 ZINC000007894724 564015808 /nfs/dbraw/zinc/01/58/08/564015808.db2.gz CIIXSUUHCXWQIH-VCHYOVAHSA-N 0 0 343.408 3.768 40 30 EHEBRN CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(C#N)cc2F)c1 ZINC000014258454 564021921 /nfs/dbraw/zinc/02/19/21/564021921.db2.gz KVAPYEWWPWCEBL-UHFFFAOYSA-N 0 0 325.343 3.544 40 30 EHEBRN Cc1ccc(N2CCC(C(=O)Nc3ccc(CC#N)cc3)CC2)cc1 ZINC000219852826 564035493 /nfs/dbraw/zinc/03/54/93/564035493.db2.gz XCSQBANKGAXOFG-UHFFFAOYSA-N 0 0 333.435 3.916 40 30 EHEBRN Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(CC#N)cc1 ZINC000225635218 564048760 /nfs/dbraw/zinc/04/87/60/564048760.db2.gz RMEACRLATGAIHV-OAHLLOKOSA-N 0 0 339.464 3.815 40 30 EHEBRN C=CCO[C@@H]1CC2(CCN(c3ccc(C)nn3)CC2)c2ccccc21 ZINC000096079156 564066493 /nfs/dbraw/zinc/06/64/93/564066493.db2.gz QCETYJYSSCBMIW-LJQANCHMSA-N 0 0 335.451 3.971 40 30 EHEBRN C=CCSc1nnc(NC(=O)c2ccc3c(c2)CCCC3)s1 ZINC000008061403 564072233 /nfs/dbraw/zinc/07/22/33/564072233.db2.gz XTARCETVJGSOFZ-UHFFFAOYSA-N 0 0 331.466 3.947 40 30 EHEBRN COc1cc(/C=N\O)ccc1OCc1cccc(Br)c1 ZINC000216853306 564079096 /nfs/dbraw/zinc/07/90/96/564079096.db2.gz JGJLTWUVMWXHFQ-MFOYZWKCSA-N 0 0 336.185 3.845 40 30 EHEBRN N#Cc1c(N)nc(SC2CCCC2)nc1Cc1ccc(F)cc1 ZINC000223678817 564081757 /nfs/dbraw/zinc/08/17/57/564081757.db2.gz AQJSWCFMQAOQPX-UHFFFAOYSA-N 0 0 328.416 3.695 40 30 EHEBRN CCOc1cc(/C=N/O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000006960819 564126394 /nfs/dbraw/zinc/12/63/94/564126394.db2.gz GXEJBGACQMBGJE-VXLYETTFSA-N 0 0 348.786 3.564 40 30 EHEBRN CCOc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCC#N ZINC000006960619 564126400 /nfs/dbraw/zinc/12/64/00/564126400.db2.gz KIVCLKJQPYOIHQ-GOSISDBHSA-N 0 0 339.420 3.684 40 30 EHEBRN Cc1cc(/C=N/NC(N)=S)c(C)n1-c1cc(Cl)ccc1Cl ZINC000006044008 564129793 /nfs/dbraw/zinc/12/97/93/564129793.db2.gz NMIXAGFAPSPGEL-CNHKJKLMSA-N 0 0 341.267 3.568 40 30 EHEBRN CN(C)c1ccc(C=NN2C(=S)N=NC2C2CCCCC2)cc1 ZINC000252429438 1124986479 /nfs/dbraw/zinc/98/64/79/1124986479.db2.gz PDYBCZFHAAOLDH-UHFFFAOYSA-N 0 0 329.473 3.563 40 30 EHEBRN N#Cc1ccc2c(c1)C1(CN2)CCN(C(=O)OCc2ccccc2)CC1 ZINC000051943323 214108400 /nfs/dbraw/zinc/10/84/00/214108400.db2.gz VFZBJEFCGGYVIA-UHFFFAOYSA-N 0 0 347.418 3.654 40 30 EHEBRN Fc1cccc(Cl)c1C=NN1C(=S)N=NC1c1ccccc1 ZINC000004680290 210246803 /nfs/dbraw/zinc/24/68/03/210246803.db2.gz BOZXHBBXDMIVJD-NVMNQCDNSA-N 0 0 332.791 3.909 40 30 EHEBRN N#CCSc1nnc(-c2ccc(O)cc2)n1-c1cccc(Cl)c1 ZINC000004126147 210127754 /nfs/dbraw/zinc/12/77/54/210127754.db2.gz FWBWSPNRRSVBCD-UHFFFAOYSA-N 0 0 342.811 3.909 40 30 EHEBRN Cc1[nH]nc(C(F)(F)C(F)(F)C(F)(F)F)c1Br ZINC000072265856 216087227 /nfs/dbraw/zinc/08/72/27/216087227.db2.gz WDDUCRITVXHQAD-UHFFFAOYSA-N 0 0 329.013 3.770 40 30 EHEBRN CSc1nc2n(n1)[C@@H](c1cccc(C)c1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000022608433 212310259 /nfs/dbraw/zinc/31/02/59/212310259.db2.gz QJRYOYFWPRZLOV-ZBEGNZNMSA-N 0 0 340.452 3.576 40 30 EHEBRN C#CCOC(=O)/C=C/c1ccc(OC)c(OCc2ccc(F)cc2)c1 ZINC000216899336 241219632 /nfs/dbraw/zinc/21/96/32/241219632.db2.gz FUDBAXGWUUCJQM-YRNVUSSQSA-N 0 0 340.350 3.603 40 30 EHEBRN COc1ccc(CCCNC(=S)Nc2ccc(CC#N)cc2)cc1 ZINC000225556336 241926181 /nfs/dbraw/zinc/92/61/81/241926181.db2.gz VIPCEFZEPWRMLG-UHFFFAOYSA-N 0 0 339.464 3.680 40 30 EHEBRN CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cc1C#N ZINC000225832237 242054861 /nfs/dbraw/zinc/05/48/61/242054861.db2.gz LMIZDUPSMJBCKP-AUUYWEPGSA-N 0 0 330.428 3.881 40 30 EHEBRN CCCCCn1nc(Cc2ccc(Br)cc2)c(C#N)c1N ZINC000225836226 242055948 /nfs/dbraw/zinc/05/59/48/242055948.db2.gz CUFDZUBYRBEWQT-UHFFFAOYSA-N 0 0 347.260 3.880 40 30 EHEBRN CCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)c(C#N)c1 ZINC000225834833 242056060 /nfs/dbraw/zinc/05/60/60/242056060.db2.gz NHDYJRXMVIYHEA-UHFFFAOYSA-N 0 0 330.428 3.881 40 30 EHEBRN Cc1ccc(COc2nn(Cc3cccc(C)c3)c(N)c2C#N)cc1 ZINC000225845251 242061281 /nfs/dbraw/zinc/06/12/81/242061281.db2.gz BOFDFKYRBIUQLL-UHFFFAOYSA-N 0 0 332.407 3.581 40 30 EHEBRN CCN(CC)c1ccc(/C=N/NC(=S)NC2CCCCC2)cc1 ZINC000019800646 212070335 /nfs/dbraw/zinc/07/03/35/212070335.db2.gz OHANDFDMRNPTOB-XMHGGMMESA-N 0 0 332.517 3.664 40 30 EHEBRN Cc1ccc(CN2CCN(/N=C\c3ccccc3Cl)CC2)cc1 ZINC000019594614 212050417 /nfs/dbraw/zinc/05/04/17/212050417.db2.gz URRRVATYNFBLTP-STZFKDTASA-N 0 0 327.859 3.800 40 30 EHEBRN C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCCN(c3ccccn3)CC1)C2 ZINC000019460733 212030113 /nfs/dbraw/zinc/03/01/13/212030113.db2.gz BUDOJGMQMYTKOY-DYESRHJHSA-N 0 0 339.483 3.503 40 30 EHEBRN C=C1C(=O)O[C@@H]2/C=C(\C)C[C@@H]3C=C(CC/C=C(/C)CC[C@@H]12)C(=O)O3 ZINC000005566206 210490904 /nfs/dbraw/zinc/49/09/04/210490904.db2.gz KTYZKXFERQUCPX-UXJRKTKRSA-N 0 0 328.408 3.793 40 30 EHEBRN C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CF ZINC000118934251 221205003 /nfs/dbraw/zinc/20/50/03/221205003.db2.gz UXQRVGWQURFJGJ-IIJALIKYSA-N 0 0 348.458 3.644 40 30 EHEBRN CCNc1nc(Nc2ccc(NC(C)=O)cc2)cc(-c2ccccn2)n1 ZINC000328971632 257908810 /nfs/dbraw/zinc/90/88/10/257908810.db2.gz DQRPIZZFHCYPDI-UHFFFAOYSA-N 0 0 348.410 3.744 40 30 EHEBRN C#CCOc1ccccc1CN(Cc1ccc(C)o1)C[C@@H]1CCCO1 ZINC000013994809 518332640 /nfs/dbraw/zinc/33/26/40/518332640.db2.gz AJRBFEMUGMVYKK-IBGZPJMESA-N 0 0 339.435 3.781 40 30 EHEBRN C/C=C/[C@H](CCC=CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCC ZINC000004903321 518548423 /nfs/dbraw/zinc/54/84/23/518548423.db2.gz QTLNLSHMWXMGLF-XIFPEZEISA-N 0 0 348.359 3.828 40 30 EHEBRN C=CCNC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1F ZINC000223496887 518940010 /nfs/dbraw/zinc/94/00/10/518940010.db2.gz LPPLGMNKHIEWEL-UHFFFAOYSA-N 0 0 346.789 3.576 40 30 EHEBRN COc1ccc(/C=C/C(=N\O)c2ccc(OC)c(OC)c2)cc1OC ZINC000104181527 523382974 /nfs/dbraw/zinc/38/29/74/523382974.db2.gz BZSHTKNCRMVXSF-VGMHCLCTSA-N 0 0 343.379 3.613 40 30 EHEBRN O=C(O/N=C(\c1ccc(F)cc1)c1cccnc1)c1ccc(F)cc1 ZINC000000375808 526413312 /nfs/dbraw/zinc/41/33/12/526413312.db2.gz XOILGEJVYLVEJD-PTGBLXJZSA-N 0 0 338.313 3.969 40 30 EHEBRN C#CCOc1ccccc1/C=C1\SC(=Nc2ccc(C)cc2)NC1=O ZINC000408530845 563416781 /nfs/dbraw/zinc/41/67/81/563416781.db2.gz KKPQOTLSTAXVQT-AQTBWJFISA-N 0 0 348.427 3.899 40 30 EHEBRN C=C[C@H](C)N1C(=O)S/C(=C\c2cc(OC)c(OC)cc2C)C1=O ZINC000408547995 563446981 /nfs/dbraw/zinc/44/69/81/563446981.db2.gz BNSYLPPOYLCONF-GPILYODUSA-N 0 0 333.409 3.623 40 30 EHEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cccc(Br)c2)c1 ZINC000408593468 563493578 /nfs/dbraw/zinc/49/35/78/563493578.db2.gz PRGGKYCMQPBJIK-CXUHLZMHSA-N 0 0 335.157 3.908 40 30 EHEBRN CC(=C\c1ccccc1)/C=C\C(=O)c1sc(C(N)=S)nc1C ZINC000005810454 563551093 /nfs/dbraw/zinc/55/10/93/563551093.db2.gz RIQRSGPVNJSTAO-QNRZBPGKSA-N 0 0 328.462 3.928 40 30 EHEBRN O=[N+]([O-])c1ccc(C=NNC(=Nc2ccccc2)c2ccccn2)cc1 ZINC000006644132 563575962 /nfs/dbraw/zinc/57/59/62/563575962.db2.gz HVRBOIXSNLTJMO-KGENOOAVSA-N 0 0 345.362 3.883 40 30 EHEBRN C=CCOc1ccc(NC(=O)C(=O)NC[C@@H](CC)CCCC)cc1 ZINC000408709052 563597574 /nfs/dbraw/zinc/59/75/74/563597574.db2.gz OOIFSRMCKYBGRC-HNNXBMFYSA-N 0 0 332.444 3.523 40 30 EHEBRN CCCCCCCCCCNC(=O)C(=O)Nc1ccc(OC)cc1 ZINC000408709862 563599066 /nfs/dbraw/zinc/59/90/66/563599066.db2.gz YJVIWPOHUJMPSU-UHFFFAOYSA-N 0 0 334.460 3.891 40 30 EHEBRN CCOC(=O)C[C@@H](c1ccccc1)[C@@](C#N)(c1ccccc1)N(C)C ZINC000031667393 563912887 /nfs/dbraw/zinc/91/28/87/563912887.db2.gz MYACROWMLUCQHY-PZJWPPBQSA-N 0 0 336.435 3.704 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@H](C)Oc2ccccc2CC)s1 ZINC000223268943 563981510 /nfs/dbraw/zinc/98/15/10/563981510.db2.gz QYEXNOQDMVIMMT-NSHDSACASA-N 0 0 349.481 3.785 40 30 EHEBRN C=CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2C)cc1 ZINC000224618590 563994436 /nfs/dbraw/zinc/99/44/36/563994436.db2.gz AVRHAQYWOSIASV-UHFFFAOYSA-N 0 0 347.436 3.678 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)s1 ZINC000224979552 563995299 /nfs/dbraw/zinc/99/52/99/563995299.db2.gz LIDZRRGGZFCTDG-GFCCVEGCSA-N 0 0 349.481 3.839 40 30 EHEBRN C=CCSc1ccccc1C(=O)NC[C@H]1COc2ccccc2O1 ZINC000225272395 563995754 /nfs/dbraw/zinc/99/57/54/563995754.db2.gz PERODORCGQZLBI-AWEZNQCLSA-N 0 0 341.432 3.535 40 30 EHEBRN CC(=O)Oc1ccccc1C(=O)O/N=C1\C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000006318129 564001899 /nfs/dbraw/zinc/00/18/99/564001899.db2.gz IFSBDYLEDYOOOC-MHRIWXKKSA-N 0 0 329.396 3.971 40 30 EHEBRN C#CCN1C(=O)S/C(=C/c2cc(C(C)C)c(OC)cc2C)C1=O ZINC000409048028 564009176 /nfs/dbraw/zinc/00/91/76/564009176.db2.gz QJXIUPHDBVLSCX-MHWRWJLKSA-N 0 0 329.421 3.797 40 30 EHEBRN COc1ccc(OC)c(CN=Nc2ccc(C(F)(F)F)cn2)c1 ZINC000409066465 564009377 /nfs/dbraw/zinc/00/93/77/564009377.db2.gz AUSONPTUJYIALD-DNTJNYDQSA-N 0 0 325.290 3.564 40 30 EHEBRN CCN(CC)c1ccc(/N=C/c2cn(CC(N)=O)c3ccccc23)cc1 ZINC000409386514 564012022 /nfs/dbraw/zinc/01/20/22/564012022.db2.gz VCACZHRPONLFMB-YDZHTSKRSA-N 0 0 348.450 3.723 40 30 EHEBRN COc1cccc(CN=Nc2c(F)c(F)c(F)c(F)c2F)c1OC ZINC000005514923 564014077 /nfs/dbraw/zinc/01/40/77/564014077.db2.gz ABCIKDRYJLJRTE-AERZKKPOSA-N 0 0 346.255 3.845 40 30 EHEBRN C=CCOc1cccc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)c1 ZINC000014783756 564023777 /nfs/dbraw/zinc/02/37/77/564023777.db2.gz QDKAVHOGDLMUGU-AWEZNQCLSA-N 0 0 327.380 3.666 40 30 EHEBRN COc1ccc(CN/N=C(\C)c2cc(C)ccc2OC)cc1OC ZINC000216057918 564033751 /nfs/dbraw/zinc/03/37/51/564033751.db2.gz SFHWPJPWTMVVII-KGENOOAVSA-N 0 0 328.412 3.535 40 30 EHEBRN COc1ccc(CN/N=C(\C)c2cc(Cl)ccc2O)cc1OC ZINC000216058011 564033763 /nfs/dbraw/zinc/03/37/63/564033763.db2.gz DSJRLMONPZHBIR-RGVLZGJSSA-N 0 0 334.803 3.577 40 30 EHEBRN CC[C@@H]1OC(=O)[C@H](C)C(=O)C(C)=C[C@H](C)C[C@@H](C)C(=O)C=C[C@@H]1C ZINC000604378755 564034639 /nfs/dbraw/zinc/03/46/39/564034639.db2.gz IJMBDRQWRQKUCH-XNFPPLRGSA-N 0 0 334.456 3.897 40 30 biogenic,in-vitro EHEBRN CC(=O)Nc1ccc(Nc2cc(C3CC3)nc(NC(C)C)n2)cc1 ZINC000328959347 564070950 /nfs/dbraw/zinc/07/09/50/564070950.db2.gz ATJZFECXRKLHMG-UHFFFAOYSA-N 0 0 325.416 3.948 40 30 EHEBRN COc1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000245232558 564124144 /nfs/dbraw/zinc/12/41/44/564124144.db2.gz XLSVIBMMSWWCPK-UHFFFAOYSA-N 0 0 343.858 3.500 40 30 EHEBRN Cc1ccc(C2N=NC(=S)N2N=Cc2c[nH]c3ccccc23)cc1 ZINC000054382142 214235529 /nfs/dbraw/zinc/23/55/29/214235529.db2.gz ZKTIUCLAQMGPJT-JAIQZWGSSA-N 0 0 333.420 3.906 40 30 EHEBRN N#CCCn1cc([C@@H]2CC(c3ccccc3)=NNC2=O)c2ccccc21 ZINC000004458868 210193439 /nfs/dbraw/zinc/19/34/39/210193439.db2.gz WGGOWGCKWYSHCV-KRWDZBQOSA-N 0 0 342.402 3.563 40 30 EHEBRN NOC(=O)[C@@H]1[C@@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 ZINC000001707151 209784857 /nfs/dbraw/zinc/78/48/57/209784857.db2.gz UYOXWYCIAHPBLL-UXHICEINSA-N 0 0 329.399 3.803 40 30 EHEBRN CC(C)(C)c1cc(OC[C@@H]2CO2)c(C(C)(C)C)cc1OC[C@@H]1CO1 ZINC000001688137 209782047 /nfs/dbraw/zinc/78/20/47/209782047.db2.gz IMJWYODDPLPNHC-KBPBESRZSA-N 0 0 334.456 3.837 40 30 EHEBRN Cc1cccc(-n2nc(-c3cccc(C(F)(F)F)c3)c(C#N)c2N)n1 ZINC000039955233 213245881 /nfs/dbraw/zinc/24/58/81/213245881.db2.gz QKIRGLGIIRZTEE-UHFFFAOYSA-N 0 0 343.312 3.715 40 30 EHEBRN COc1cc(C#N)ccc1OC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000039954308 213244924 /nfs/dbraw/zinc/24/49/24/213244924.db2.gz YHNZODQKFOEGBT-HNNXBMFYSA-N 0 0 346.427 3.593 40 30 EHEBRN C[C@@H]1CC(=O)C2C(=Nc3ncnn3[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000022608017 212310449 /nfs/dbraw/zinc/31/04/49/212310449.db2.gz QMKBMVQFHBMVSM-VXJOIVPMSA-N 0 0 349.221 3.853 40 30 EHEBRN C#CCOC(=O)c1ccc(OCc2ccc(F)cc2)c(OCC)c1 ZINC000216821185 241213419 /nfs/dbraw/zinc/21/34/19/241213419.db2.gz BJHADCKIJKJULD-UHFFFAOYSA-N 0 0 328.339 3.593 40 30 EHEBRN Cc1cccc(Cc2nn(Cc3ccc(Cl)cc3)c(N)c2C#N)c1 ZINC000225840255 242058773 /nfs/dbraw/zinc/05/87/73/242058773.db2.gz HLIQCXNETJYOFE-UHFFFAOYSA-N 0 0 336.826 3.938 40 30 EHEBRN CCOC(=O)c1sc(OCc2cc(C)ccc2C)c(C#N)c1N ZINC000225850521 242062958 /nfs/dbraw/zinc/06/29/58/242062958.db2.gz URBOSPWHFCMYBV-UHFFFAOYSA-N 0 0 330.409 3.575 40 30 EHEBRN CCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)cc1C#N ZINC000225858259 242064183 /nfs/dbraw/zinc/06/41/83/242064183.db2.gz UYCONQXCLTWTGK-LJQANCHMSA-N 0 0 330.428 3.881 40 30 EHEBRN Cc1nn(-c2ccccc2)c(N)c1N=Nc1ccccc1OC(F)F ZINC000007168315 210764795 /nfs/dbraw/zinc/76/47/95/210764795.db2.gz KGLWRZOXXYIPRS-TUWFNWFCSA-N 0 0 343.337 3.929 40 30 EHEBRN C=C1C(=O)O[C@H]2C[C@H]1CC[C@@]1(C)O[C@H]1CC/C(C)=C\CC[C@@]2(C)O ZINC000005430742 210462350 /nfs/dbraw/zinc/46/23/50/210462350.db2.gz YKKJETNBRNDYKN-GLVCYTQRSA-N 0 0 334.456 3.683 40 30 EHEBRN CC1=C2CC[C@H]3[C@@H]4CC[C@@](C)(O)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CCC1=O ZINC000118931588 221205283 /nfs/dbraw/zinc/20/52/83/221205283.db2.gz WGWIOQHCYQKREK-ZUPUKHRQSA-N 0 0 332.484 3.630 40 30 EHEBRN C=CCN1C(=O)/C(=C/c2cn(CC#N)c3ccccc23)SC1=S ZINC000409376667 257872175 /nfs/dbraw/zinc/87/21/75/257872175.db2.gz CJVRPHIYACTYFX-GDNBJRDFSA-N 0 0 339.445 3.552 40 30 EHEBRN COc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(C)c1 ZINC000409047911 257881871 /nfs/dbraw/zinc/88/18/71/257881871.db2.gz VEPFTDPQDFWCDQ-IOXNKQMXSA-N 0 0 332.219 3.718 40 30 EHEBRN CCOC(=O)c1ccccc1NC1=CC(=O)C[C@H](c2ccco2)C1 ZINC000408751540 257889592 /nfs/dbraw/zinc/88/95/92/257889592.db2.gz VWOUKLLNXDRTNO-CYBMUJFWSA-N 0 0 325.364 3.899 40 30 EHEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cc3c(cc2Cl)OCO3)c1 ZINC000408590710 257894985 /nfs/dbraw/zinc/89/49/85/257894985.db2.gz HQGYPSDILRKJCR-REZTVBANSA-N 0 0 334.715 3.528 40 30 EHEBRN CC(=O)Nc1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1 ZINC000059475479 257850187 /nfs/dbraw/zinc/85/01/87/257850187.db2.gz JQZNGNPXKDCRQJ-UHFFFAOYSA-N 0 0 333.203 3.943 40 30 EHEBRN CC1(C)[C@H]2C[C@@H]1CCC2=CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005734266 520645034 /nfs/dbraw/zinc/64/50/34/520645034.db2.gz OPBYQHHZJNCLID-BBOWQOMZSA-N 0 0 330.344 3.893 40 30 EHEBRN COc1ccc(CN/N=C/c2ccc(OC(C)C)cc2)cc1OC ZINC000020196351 524017714 /nfs/dbraw/zinc/01/77/14/524017714.db2.gz PZCGAXXSZLVVFK-UDWIEESQSA-N 0 0 328.412 3.615 40 30 EHEBRN N#CC(C(=O)CCc1nc2ccccc2[nH]1)c1nc2ccccc2s1 ZINC000005647318 526489297 /nfs/dbraw/zinc/48/92/97/526489297.db2.gz PMYMBJRNLNJLFE-LBPRGKRZSA-N 0 0 346.415 3.982 40 30 EHEBRN N#C[C@@H](C(=O)CCC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000001622639 526489361 /nfs/dbraw/zinc/48/93/61/526489361.db2.gz WOEBZJIRQNFHLB-MRXNPFEDSA-N 0 0 326.783 3.935 40 30 EHEBRN CCCCN(CCC#N)CCNc1cc(OC)cc2cccnc21 ZINC000001600862 563395804 /nfs/dbraw/zinc/39/58/04/563395804.db2.gz YQUFAVWPJNSJFX-UHFFFAOYSA-N 0 0 326.444 3.671 40 30 EHEBRN C=CCOc1ccc(C(=S)NCCc2ccc(OC)cc2)cc1 ZINC000408578840 563481251 /nfs/dbraw/zinc/48/12/51/563481251.db2.gz ZPSGYZWXMAHUJT-UHFFFAOYSA-N 0 0 327.449 3.768 40 30 EHEBRN COc1cccc(NC(=O)CSc2nc(C(C)C)ccc2C#N)c1 ZINC000005481974 563534665 /nfs/dbraw/zinc/53/46/65/563534665.db2.gz NXXWZUAIHRGJBN-UHFFFAOYSA-N 0 0 341.436 3.816 40 30 EHEBRN C/C(=N/NC(=S)N1CCCCCC1)c1cccc2cccnc21 ZINC000005551185 563538936 /nfs/dbraw/zinc/53/89/36/563538936.db2.gz KKURDNASMPVGKT-ZHZULCJRSA-N 0 0 326.469 3.709 40 30 EHEBRN CCCCCCCCCCNC(=O)C(=O)NCc1ccc(OC)cc1 ZINC000408707659 563593905 /nfs/dbraw/zinc/59/39/05/563593905.db2.gz QENVOJWHPMWXHM-UHFFFAOYSA-N 0 0 348.487 3.568 40 30 EHEBRN N#CC(C(=O)CCc1nc2ccccc2[nH]1)c1nc2ccccc2s1 ZINC000013217419 563692367 /nfs/dbraw/zinc/69/23/67/563692367.db2.gz PMYMBJRNLNJLFE-GFCCVEGCSA-N 0 0 346.415 3.982 40 30 EHEBRN Cc1ccc(C(=O)N=C2C=C(C)C(=O)C(Br)=C2C)cc1 ZINC000016807754 563824439 /nfs/dbraw/zinc/82/44/39/563824439.db2.gz JKPSGVWEUFHWHH-QGOAFFKASA-N 0 0 332.197 3.774 40 30 EHEBRN COC(=O)[C@H](C)O/N=C1\C=C[C@@](C)(C(Cl)(Cl)Cl)C=C1C ZINC000016952840 563826805 /nfs/dbraw/zinc/82/68/05/563826805.db2.gz WXOZSZPEXKXRJM-DQIXWIIUSA-N 0 0 340.634 3.813 40 30 EHEBRN O=C(c1ccccc1)C1(C(=O)c2ccccc2)/C(=N/O)[C@H]2CC[C@@H]1C2 ZINC000017027452 563829404 /nfs/dbraw/zinc/82/94/04/563829404.db2.gz ZUQYVXPKGUCPHN-VDWHKPSJSA-N 0 0 333.387 3.999 40 30 EHEBRN C=CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000224649262 563994512 /nfs/dbraw/zinc/99/45/12/563994512.db2.gz GSQFXYHKOPLPTA-UHFFFAOYSA-N 0 0 335.400 3.524 40 30 EHEBRN C=CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(C)cc1 ZINC000224692481 563994613 /nfs/dbraw/zinc/99/46/13/563994613.db2.gz YVFDALUUCMISEB-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN Cc1sc(NC(=O)COC(=O)c2cccc(Cl)c2)c(C#N)c1C ZINC000008332614 563997497 /nfs/dbraw/zinc/99/74/97/563997497.db2.gz VAUORMMKZQYNFH-UHFFFAOYSA-N 0 0 348.811 3.686 40 30 EHEBRN S=C(N/N=C/c1ccc(OC2CSC2)cc1)Nc1ccccc1 ZINC000408832206 564007462 /nfs/dbraw/zinc/00/74/62/564007462.db2.gz XENZQEXRLBXOAY-VCHYOVAHSA-N 0 0 343.477 3.501 40 30 EHEBRN CC/C(=N\NC(=S)Nc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000408863894 564007740 /nfs/dbraw/zinc/00/77/40/564007740.db2.gz QWGXEMOZGFTHKA-HMMYKYKNSA-N 0 0 343.452 3.805 40 30 EHEBRN CC/N=C1/S/C(=C/c2ccc(OC(C)C)c(OC)c2)C(=O)N1CC ZINC000408930186 564008081 /nfs/dbraw/zinc/00/80/81/564008081.db2.gz TVSCDNFMTSZGPC-FLXQFUDPSA-N 0 0 348.468 3.795 40 30 EHEBRN CC/N=C1/S/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1CC ZINC000408930397 564008084 /nfs/dbraw/zinc/00/80/84/564008084.db2.gz WLDLTYJPAWUYRM-LUOFJIKJSA-N 0 0 339.804 3.560 40 30 EHEBRN C=CCN1C(=O)S/C(=C/c2cc(OC)c(OC)cc2Cl)C1=O ZINC000409066332 564009362 /nfs/dbraw/zinc/00/93/62/564009362.db2.gz BVINRKUSMAVUNJ-NTUHNPAUSA-N 0 0 339.800 3.580 40 30 EHEBRN CCN1C(=O)/C(=N/c2ccc(O)cc2)c2cc(Br)ccc21 ZINC000409190650 564010920 /nfs/dbraw/zinc/01/09/20/564010920.db2.gz UNPYIVSVQSWLGR-OBGWFSINSA-N 0 0 345.196 3.642 40 30 EHEBRN C[C@@H](O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000002539368 564013331 /nfs/dbraw/zinc/01/33/31/564013331.db2.gz MASCESDECGBIBB-HRXJDSDTSA-N 0 0 332.484 3.630 40 30 EHEBRN C#C[C@@](O)(c1ccc(C)cc1)[C@H]1CC[C@@H]1[C@@](O)(C#C)c1ccc(C)cc1 ZINC000006845915 564015185 /nfs/dbraw/zinc/01/51/85/564015185.db2.gz BHRAKBJCLIOPRY-CJRSTVEYSA-N 0 0 344.454 3.671 40 30 EHEBRN C#CCOc1ccc2ccccc2c1/C=N/NCc1ccccc1OC ZINC000020762209 564033436 /nfs/dbraw/zinc/03/34/36/564033436.db2.gz LLHNRWBJGFBBBQ-LFVJCYFKSA-N 0 0 344.414 3.984 40 30 EHEBRN C=CCO[C@@H]1CC2(CCN(C(=O)N(C)C)CC2)c2ccc(C)cc21 ZINC000096241847 564066579 /nfs/dbraw/zinc/06/65/79/564066579.db2.gz QTKMCVSBMDPDKT-GOSISDBHSA-N 0 0 328.456 3.658 40 30 EHEBRN C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]3CC(=O)[C@H](O)[C@@]3(C)CC[C@@H]21 ZINC000006417261 564070730 /nfs/dbraw/zinc/07/07/30/564070730.db2.gz UPMXTBWCFFZRCM-OEUJLIAZSA-N 0 0 326.436 3.647 40 30 EHEBRN C=C(C)COc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000008570645 564072533 /nfs/dbraw/zinc/07/25/33/564072533.db2.gz SVWLAVIUYXKNIN-UHFFFAOYSA-N 0 0 342.351 3.811 40 30 EHEBRN C[C@H]1CCc2c(C#N)c(N)c(C#N)c(-c3ccc(N(C)C)cc3)c2C1 ZINC000016609372 564090645 /nfs/dbraw/zinc/09/06/45/564090645.db2.gz ATYYSTLDZVCLJQ-ZDUSSCGKSA-N 0 0 330.435 3.870 40 30 EHEBRN CCCc1ccc(S(=O)(=O)N/N=C(\C)[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000017070529 564116379 /nfs/dbraw/zinc/11/63/79/564116379.db2.gz HTVCQQBVBMJBTE-NCWMKRCDSA-N 0 0 334.485 3.730 40 30 EHEBRN CCc1ccc2nc(SCC(=O)NC3CCCC3)c(C#N)cc2c1 ZINC000000411038 564133195 /nfs/dbraw/zinc/13/31/95/564133195.db2.gz VNULXTYUOXDHPF-UHFFFAOYSA-N 0 0 339.464 3.820 40 30 EHEBRN Cc1ccc2nc(SCC(=O)NC3CCCCC3)c(C#N)cc2c1 ZINC000000422231 564133257 /nfs/dbraw/zinc/13/32/57/564133257.db2.gz KOFHFKNPKOEYMJ-UHFFFAOYSA-N 0 0 339.464 3.956 40 30 EHEBRN CCN(Cc1ccccc1)c1nn(-c2cc(C)cc(C)c2)nc1C#N ZINC000256047527 564134711 /nfs/dbraw/zinc/13/47/11/564134711.db2.gz MYNIVNXYIVAFAI-UHFFFAOYSA-N 0 0 331.423 3.782 40 30 EHEBRN CCc1noc(C)c1C(=O)N1CCCS/C1=N\c1ccccc1 ZINC000012882649 564135680 /nfs/dbraw/zinc/13/56/80/564135680.db2.gz WRWRCKRNJCKNRG-ZCXUNETKSA-N 0 0 329.425 3.812 40 30 EHEBRN COc1ccc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)cc1OC ZINC000013126438 564136023 /nfs/dbraw/zinc/13/60/23/564136023.db2.gz UUXOMHWPPRGDHN-UHFFFAOYSA-N 0 0 347.374 3.592 40 30 EHEBRN COc1cc([N+](=O)[O-])cc2sc(N=C(SC)SC)nc21 ZINC000057352494 214421580 /nfs/dbraw/zinc/42/15/80/214421580.db2.gz FCQWJQMPOQWSQL-UHFFFAOYSA-N 0 0 329.428 3.927 40 30 EHEBRN CCCCCCCCCCC(C(=O)OCC)=C(O)C(=O)OCC ZINC000100301540 219096281 /nfs/dbraw/zinc/09/62/81/219096281.db2.gz ZOANUFSGMIBOMO-HNNXBMFYSA-N 0 0 328.449 3.829 40 30 EHEBRN CCOC(=O)[C@@H](C#N)[C@H](c1ccc(F)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000003901939 210088960 /nfs/dbraw/zinc/08/89/60/210088960.db2.gz RXKQWQWAWGCAQF-HYVNUMGLSA-N 0 0 333.403 3.817 40 30 EHEBRN Cn1c2ccccc2c(-c2ccc(C#N)cc2)c(Br)c1=O ZINC000044137792 213610124 /nfs/dbraw/zinc/61/01/24/213610124.db2.gz SCXUMLAWRDLPIK-UHFFFAOYSA-N 0 0 339.192 3.840 40 30 EHEBRN CCOc1ccc(NC(=O)CSc2nc(C)cc(C)c2C#N)cc1 ZINC000000375435 209557371 /nfs/dbraw/zinc/55/73/71/209557371.db2.gz PYYUEIJEKKPJEV-UHFFFAOYSA-N 0 0 341.436 3.700 40 30 EHEBRN O=C(O/N=C/c1cccc(C(F)(F)F)c1)c1cccnc1Cl ZINC000000165209 209460313 /nfs/dbraw/zinc/46/03/13/209460313.db2.gz APYNEKOACFPVMG-DNTJNYDQSA-N 0 0 328.677 3.945 40 30 EHEBRN CCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)c(C#N)c1 ZINC000225809147 242046010 /nfs/dbraw/zinc/04/60/10/242046010.db2.gz QBERSZFHWQPQDU-KUHUBIRLSA-N 0 0 330.428 3.881 40 30 EHEBRN Cc1ccc(COc2nn(Cc3ccccc3)c(N)c2C#N)c(C)c1 ZINC000225838977 242058696 /nfs/dbraw/zinc/05/86/96/242058696.db2.gz GXQLDBBGUISEIP-UHFFFAOYSA-N 0 0 332.407 3.581 40 30 EHEBRN C=CCOC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2OCC)o1 ZINC000226257840 242093250 /nfs/dbraw/zinc/09/32/50/242093250.db2.gz ZYEZPECCWDOJHQ-JXMROGBWSA-N 0 0 343.335 3.996 40 30 EHEBRN O=c1c2ccccc2ncn1/N=C/c1ccc(-c2ccccc2)cc1 ZINC000021361618 212222166 /nfs/dbraw/zinc/22/21/66/212222166.db2.gz NYYCNEASOLFIJD-OEAKJJBVSA-N 0 0 325.371 3.946 40 30 EHEBRN O=C(Nc1nnc(-c2ccc(Br)cc2)o1)C(F)(F)F ZINC000020496059 212140802 /nfs/dbraw/zinc/14/08/02/212140802.db2.gz NLDOJHMRVWQWIV-UHFFFAOYSA-N 0 0 336.067 3.649 40 30 EHEBRN C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)N1CCC(Oc3cccnc3)CC1)C2 ZINC000019460721 212029315 /nfs/dbraw/zinc/02/93/15/212029315.db2.gz WANHKIRIVQJWHE-IIBYNOLFSA-N 0 0 340.467 3.834 40 30 EHEBRN C=CCN1C(=O)S/C(=C/c2ccc(N3CCCC3)c(F)c2)C1=O ZINC000015013408 211788698 /nfs/dbraw/zinc/78/86/98/211788698.db2.gz VKWKEVFKTBTZOK-RVDMUPIBSA-N 0 0 332.400 3.648 40 30 EHEBRN CCOC(=O)CSCC(=NNc1ccccc1)c1cccs1 ZINC000013382125 211552743 /nfs/dbraw/zinc/55/27/43/211552743.db2.gz WSMLNIBOCRHDPO-NBVRZTHBSA-N 0 0 334.466 3.861 40 30 EHEBRN C=C(C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C ZINC000118915207 221203099 /nfs/dbraw/zinc/20/30/99/221203099.db2.gz NJXQZDNABHJQBG-KAKDVIIHSA-N 0 0 344.495 3.796 40 30 EHEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C(C)(C)C(=O)/C(=N/O)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000118934614 221205964 /nfs/dbraw/zinc/20/59/64/221205964.db2.gz ZGGIESAIKVBIDO-RLXUVJJASA-N 0 0 345.483 3.955 40 30 EHEBRN COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(F)c(C)c1 ZINC000409228442 257873984 /nfs/dbraw/zinc/87/39/84/257873984.db2.gz AGKOMOBYBWFAQX-FYJGNVAPSA-N 0 0 328.387 3.730 40 30 EHEBRN C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OC)c(Cl)c2)C1=O ZINC000409060410 257881301 /nfs/dbraw/zinc/88/13/01/257881301.db2.gz ZREAPCHIEWDLKT-YRNVUSSQSA-N 0 0 342.203 3.672 40 30 EHEBRN CC(C)COc1ccc(C=NN2C(=S)N=NC2C)c2ccccc12 ZINC000408865146 257887087 /nfs/dbraw/zinc/88/70/87/257887087.db2.gz BUMRYCVDUJSCBL-VXLYETTFSA-N 0 0 340.452 3.945 40 30 EHEBRN CC/N=C1\S/C(=C\c2cccn2-c2ccccc2)C(=O)N1CC ZINC000408843315 257887441 /nfs/dbraw/zinc/88/74/41/257887441.db2.gz DGLFUMRAXLVMSP-PIVKVMHHSA-N 0 0 325.437 3.789 40 30 EHEBRN C=CCNC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn21 ZINC000408618771 257893753 /nfs/dbraw/zinc/89/37/53/257893753.db2.gz GKUHFVVNXLTSGH-UHFFFAOYSA-N 0 0 338.794 3.745 40 30 EHEBRN Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(O)cc3O)S2)c1 ZINC000059459429 257850036 /nfs/dbraw/zinc/85/00/36/257850036.db2.gz MGGJOABUAOKBFC-PXNMLYILSA-N 0 0 340.404 3.606 40 30 EHEBRN CC(=O)Nc1ccc(-c2csc(N=NCc3ccco3)n2)cc1 ZINC000006293833 519708256 /nfs/dbraw/zinc/70/82/56/519708256.db2.gz NAAJPAPIWWEPNF-RQZCQDPDSA-N 0 0 326.381 3.808 40 30 EHEBRN CCOc1cccc(/C=N/CCCNc2ccc([N+](=O)[O-])cc2)c1O ZINC000005610761 521315111 /nfs/dbraw/zinc/31/51/11/521315111.db2.gz IHWJDLSYBISBRL-CPNJWEJPSA-N 0 0 343.383 3.620 40 30 EHEBRN CCOc1cc(C#N)cc(Br)c1OCc1cccnc1 ZINC000216845829 535662316 /nfs/dbraw/zinc/66/23/16/535662316.db2.gz LGNCFEMQFLNNJQ-UHFFFAOYSA-N 0 0 333.185 3.693 40 30 EHEBRN COC(=O)c1ccc(C)c(/N=C/c2cc(OC)c(OC)cc2C)c1 ZINC000408547848 563446922 /nfs/dbraw/zinc/44/69/22/563446922.db2.gz AGMHUUPEXSJFJH-RGVLZGJSSA-N 0 0 327.380 3.858 40 30 EHEBRN C=CCN1/C(=N/c2cccnc2)SC[C@]1(O)c1ccc(Cl)cc1 ZINC000004575679 563505262 /nfs/dbraw/zinc/50/52/62/563505262.db2.gz FQKNQMUOSLRTBG-IMGOXIFKSA-N 0 0 345.855 3.803 40 30 EHEBRN CC1=CC(=O)[C@@H](C(O)(C(F)(F)Cl)C(F)(F)Cl)C(C)(C)C1 ZINC000005160573 563521680 /nfs/dbraw/zinc/52/16/80/563521680.db2.gz DFBQMRHPFPBRKY-MRVPVSSYSA-N 0 0 337.140 3.942 40 30 EHEBRN COc1cc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000005328123 563526902 /nfs/dbraw/zinc/52/69/02/563526902.db2.gz BYKMGEQBYKFXLS-WTKPLQERSA-N 0 0 343.335 3.517 40 30 EHEBRN CCC[C@]12C=C(OC)C(=O)C=C1O[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C ZINC000005664295 563544395 /nfs/dbraw/zinc/54/43/95/563544395.db2.gz KSGVAKCYDJGWFT-NXXCRTJYSA-N 0 0 342.391 3.906 40 30 EHEBRN CC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000006763842 563585688 /nfs/dbraw/zinc/58/56/88/563585688.db2.gz LVKCTRXOGZDNRD-GOSISDBHSA-N 0 0 338.432 3.861 40 30 EHEBRN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc2ncccc2c1 ZINC000408740451 563639515 /nfs/dbraw/zinc/63/95/15/563639515.db2.gz KTINMBQHHQTZLV-ZFJBLLOBSA-N 0 0 328.375 3.976 40 30 EHEBRN C=C1C(=NC(=O)c2ccc(OC)cc2)C(=C)C(Cl)C(=O)C1Cl ZINC000016779967 563823366 /nfs/dbraw/zinc/82/33/66/563823366.db2.gz JESTYMDADJKVOD-UHFFFAOYSA-N 0 0 338.190 3.885 40 30 EHEBRN O/N=C(/c1ccc(O)cc1)c1ccc(/C(=N/O)c2ccc(O)cc2)cc1 ZINC000017156121 563838846 /nfs/dbraw/zinc/83/88/46/563838846.db2.gz HFDBBQVNZIQTRV-OLAQIDGISA-N 0 0 348.358 3.551 40 30 EHEBRN CC(/C=C\C(=O)c1sc(C(N)=S)nc1C)=C/c1ccccc1 ZINC000017211869 563840666 /nfs/dbraw/zinc/84/06/66/563840666.db2.gz RIQRSGPVNJSTAO-XESWYYRISA-N 0 0 328.462 3.928 40 30 EHEBRN COc1ccc(/C=C\C(=O)c2ccc(OC)cc2OC(C)=O)cc1 ZINC000017353439 563843446 /nfs/dbraw/zinc/84/34/46/563843446.db2.gz PPZFDURRDGENOS-WDZFZDKYSA-N 0 0 326.348 3.525 40 30 EHEBRN C[C@H]1C[C@H]2[C@@H]3CC/C(=C\CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000031350375 563912485 /nfs/dbraw/zinc/91/24/85/563912485.db2.gz URZZKSAZQICNQI-ZOUALELVSA-N 0 0 344.495 3.654 40 30 EHEBRN CC(C)(C)OC(=O)N1CCC(CSc2cc(C#N)ccn2)CC1 ZINC000085332963 563986123 /nfs/dbraw/zinc/98/61/23/563986123.db2.gz SHILCZZHAFBARC-UHFFFAOYSA-N 0 0 333.457 3.692 40 30 EHEBRN C=CCOc1ccc(N(CC)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000224698914 563994641 /nfs/dbraw/zinc/99/46/41/563994641.db2.gz AROYPZSKVUMRES-UHFFFAOYSA-N 0 0 331.437 3.775 40 30 EHEBRN Cc1csc(NC(=O)CSc2nc3ccccc3cc2C#N)n1 ZINC000001331042 564003193 /nfs/dbraw/zinc/00/31/93/564003193.db2.gz CVLZAHZDQZUSIQ-UHFFFAOYSA-N 0 0 340.433 3.602 40 30 EHEBRN C=CCOc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1 ZINC000408943939 564008219 /nfs/dbraw/zinc/00/82/19/564008219.db2.gz SUXUMKABQLXKAY-XMHGGMMESA-N 0 0 346.386 3.693 40 30 EHEBRN Cc1cccc(-n2cccc2CN=Nc2ncccc2[N+](=O)[O-])c1C ZINC000409073050 564009518 /nfs/dbraw/zinc/00/95/18/564009518.db2.gz URAIKOCVKIFQOC-UDWIEESQSA-N 0 0 335.367 3.843 40 30 EHEBRN CCOc1cc2c(cc1/C=N/c1ccc(C)c([N+](=O)[O-])c1)OCO2 ZINC000409086147 564009570 /nfs/dbraw/zinc/00/95/70/564009570.db2.gz FWIBVCYVRMFQIO-GIJQJNRQSA-N 0 0 328.324 3.781 40 30 EHEBRN COc1cc(C)c(CN=Nc2ncccc2[N+](=O)[O-])cc1C(C)C ZINC000409104690 564009781 /nfs/dbraw/zinc/00/97/81/564009781.db2.gz DZDQYGGGEIMLQA-VXLYETTFSA-N 0 0 328.372 3.876 40 30 EHEBRN CCC1N=NC(=S)N1N=Cc1cc(C)n(-c2ccc(C)cc2)c1C ZINC000006407013 564014781 /nfs/dbraw/zinc/01/47/81/564014781.db2.gz KXOIOUBRZSJDDG-YBFXNURJSA-N 0 0 339.468 3.727 40 30 EHEBRN Cc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ncnn32)c1 ZINC000014165193 564021600 /nfs/dbraw/zinc/02/16/00/564021600.db2.gz JVJRGVHDUSPTSG-IFXJQAMLSA-N 0 0 346.390 3.595 40 30 EHEBRN COc1ccccc1CN/N=C/c1ccc(OC(C)C)c(OC)c1 ZINC000020762939 564033452 /nfs/dbraw/zinc/03/34/52/564033452.db2.gz LVGKAUZHNYNVAJ-UDWIEESQSA-N 0 0 328.412 3.615 40 30 EHEBRN Cc1ccc(NN=C2c3ccccc3N(C3CSC3)C2=O)c(C)c1 ZINC000223718498 564040695 /nfs/dbraw/zinc/04/06/95/564040695.db2.gz FCVZEFRNCMJULK-UZYVYHOESA-N 0 0 337.448 3.582 40 30 EHEBRN CC/N=C1/S/C(=C/c2ccc(Br)s2)C(=O)N1CC ZINC000033628925 564050192 /nfs/dbraw/zinc/05/01/92/564050192.db2.gz UQXXMTUKWTYUQB-MLMLVFRPSA-N 0 0 345.287 3.823 40 30 EHEBRN Cc1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1 ZINC000059249691 564050594 /nfs/dbraw/zinc/05/05/94/564050594.db2.gz FZUBRIVKUYRBBZ-WOJGMQOQSA-N 0 0 349.228 3.938 40 30 EHEBRN CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000006541041 564091836 /nfs/dbraw/zinc/09/18/36/564091836.db2.gz VRJPKCCGYWUVQJ-UHFFFAOYSA-N 0 0 344.798 3.936 40 30 EHEBRN COc1cc(C)c(CN=Nc2ccc(C(F)(F)F)cn2)cc1OC ZINC000034910488 564129944 /nfs/dbraw/zinc/12/99/44/564129944.db2.gz SIJFILCRVGWPEJ-WNFQYIGGSA-N 0 0 339.317 3.872 40 30 EHEBRN Cc1ccc2cc(C#N)c(SCC(=O)N3CCCC[C@H]3C)nc2c1 ZINC000000422303 564133232 /nfs/dbraw/zinc/13/32/32/564133232.db2.gz GJAUHLRKVUFYCZ-CQSZACIVSA-N 0 0 339.464 3.908 40 30 EHEBRN CC[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)C[C@@H](O)[C@@H]12 ZINC000685936000 564133266 /nfs/dbraw/zinc/13/32/66/564133266.db2.gz GRHUCDQBANHQDQ-UOFGHNEBSA-N 0 0 330.468 3.694 40 30 EHEBRN CCc1ccc(-n2nc(C#N)c(N3CC[C@H](c4ccccc4)C3)n2)cc1 ZINC000256048323 564134712 /nfs/dbraw/zinc/13/47/12/564134712.db2.gz SEMXZDCIKXHXNJ-SFHVURJKSA-N 0 0 343.434 3.695 40 30 EHEBRN N#Cc1ccc(N2CCCC3(CCN(c4cccnc4)CC3)C2)cc1 ZINC000096217529 564146036 /nfs/dbraw/zinc/14/60/36/564146036.db2.gz LGVICZWHXDFMSK-UHFFFAOYSA-N 0 0 332.451 3.840 40 30 EHEBRN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1C ZINC000004532179 210215250 /nfs/dbraw/zinc/21/52/50/210215250.db2.gz KZTJYSRNWXYPCE-YFHOEESVSA-N 0 0 342.351 3.613 40 30 EHEBRN CCOC(=O)[C@@H](C#N)[C@H](c1ccccc1OC)[C@H]1CCOC(C)(C)C1 ZINC000100735975 219104939 /nfs/dbraw/zinc/10/49/39/219104939.db2.gz SRYXQBHPVZMMOV-ZVZYQTTQSA-N 0 0 345.439 3.687 40 30 EHEBRN Cc1ccc(/N=C2\SC[C@H](C)N2C(=O)C2CCOCC2)c(C)c1 ZINC000102913218 219240476 /nfs/dbraw/zinc/24/04/76/219240476.db2.gz DKULIHMOJFWAAD-JGWKNBOWSA-N 0 0 332.469 3.681 40 30 EHEBRN N#Cc1c(N)n(-c2ccc(C(F)(F)F)cn2)nc1-c1ccc(F)cc1 ZINC000039955126 213245241 /nfs/dbraw/zinc/24/52/41/213245241.db2.gz WSKVLNZTBWACRI-UHFFFAOYSA-N 0 0 347.275 3.546 40 30 EHEBRN N#Cc1cc(Cl)cc(Br)c1I ZINC000036532913 213100016 /nfs/dbraw/zinc/10/00/16/213100016.db2.gz SMWDNNGGYPAOGE-UHFFFAOYSA-N 0 0 342.361 3.579 40 30 EHEBRN Cc1cc2cc(C#N)c(SCC(=O)N3CCCCC3)nc2cc1C ZINC000034791479 212987092 /nfs/dbraw/zinc/98/70/92/212987092.db2.gz WKPVELMCHBMZNH-UHFFFAOYSA-N 0 0 339.464 3.828 40 30 EHEBRN C[C@H]1CC(=O)C2C(=Nc3ncnn3[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000022608019 212309930 /nfs/dbraw/zinc/30/99/30/212309930.db2.gz QMKBMVQFHBMVSM-ANRSDYALSA-N 0 0 349.221 3.853 40 30 EHEBRN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C#N)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000218533153 241330832 /nfs/dbraw/zinc/33/08/32/241330832.db2.gz QXSVQYIHIIZGRS-YESZJQIVSA-N 0 0 331.824 3.728 40 30 EHEBRN CO[C@]1(C(=O)Nc2ccc(OC(C)C)cc2C#N)CCC[C@H](C)C1 ZINC000225809255 242046212 /nfs/dbraw/zinc/04/62/12/242046212.db2.gz YZGQQCHUSSXQDC-IFXJQAMLSA-N 0 0 330.428 3.879 40 30 EHEBRN CC[C@@H](C)n1nc(Cc2ccc(Br)cc2)c(C#N)c1N ZINC000225833298 242056716 /nfs/dbraw/zinc/05/67/16/242056716.db2.gz FBRPOBBQBLRDSJ-SNVBAGLBSA-N 0 0 333.233 3.661 40 30 EHEBRN Cc1cccc(Cc2c(N)cc(C#N)n2CCOc2ccccc2)c1 ZINC000225861485 242064739 /nfs/dbraw/zinc/06/47/39/242064739.db2.gz KHBZKRNCDCIOOP-UHFFFAOYSA-N 0 0 331.419 3.920 40 30 EHEBRN C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)C=CC(=O)[C@@]3(C)[C@@H]1C2 ZINC000230140985 242236827 /nfs/dbraw/zinc/23/68/27/242236827.db2.gz LDVSKUDVSXXLAQ-REJIITAVSA-N 0 0 344.451 3.953 40 30 biogenic,in-vitro EHEBRN COc1ccc2c(c1)O[C@H](C)C/C2=N\OC(=O)c1cccc(F)c1 ZINC000021006048 212199418 /nfs/dbraw/zinc/19/94/18/212199418.db2.gz DDDABDPISZGTQJ-BOZGJOGLSA-N 0 0 329.327 3.566 40 30 EHEBRN Cc1ccc(S(=O)(=O)N/N=C2\C=C[C@]3(CC=CCC3)CC2)cc1 ZINC000017105620 211955137 /nfs/dbraw/zinc/95/51/37/211955137.db2.gz DCCIVMNOLZRSIS-CQGUWYRNSA-N 0 0 330.453 3.706 40 30 EHEBRN CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000016137190 211887252 /nfs/dbraw/zinc/88/72/52/211887252.db2.gz FGXAJBJQNKMONT-CXUHLZMHSA-N 0 0 334.719 3.993 40 30 EHEBRN Cc1ccc(OCc2nnc(SCC#N)n2-c2ccccc2)cc1 ZINC000004959750 210340686 /nfs/dbraw/zinc/34/06/86/210340686.db2.gz HLJSSKOOAFBZNL-UHFFFAOYSA-N 0 0 336.420 3.770 40 30 EHEBRN Cc1ccc(C(=O)O/N=C2/C(C)=CC(=O)[C@H]3[C@H]4C=C[C@H](CC4)[C@@H]23)cc1 ZINC000004844021 210298229 /nfs/dbraw/zinc/29/82/29/210298229.db2.gz PBYYFCHSPLMSBR-ZODHVAEISA-N 0 0 335.403 3.865 40 30 EHEBRN C#CCN1C(=O)S/C(=C\c2cc(C)n(C3CCCC3)c2C)C1=O ZINC000409143017 257877196 /nfs/dbraw/zinc/87/71/96/257877196.db2.gz MPHRHHHSPRSFEZ-WJDWOHSUSA-N 0 0 328.437 3.890 40 30 EHEBRN O=C(/C=C/c1ccc(OC2CSC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000059472922 257850037 /nfs/dbraw/zinc/85/00/37/257850037.db2.gz BZWFJKKDHIVNFG-RMKNXTFCSA-N 0 0 341.388 3.985 40 30 EHEBRN C=CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224764324 518815354 /nfs/dbraw/zinc/81/53/54/518815354.db2.gz IBLFKBLMDIRXAO-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(N=[N+]=[N-])o1 ZINC000033375242 518836762 /nfs/dbraw/zinc/83/67/62/518836762.db2.gz FFOSXMQFFCHCFV-NSHDSACASA-N 0 0 330.348 3.820 40 30 EHEBRN CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1nnc(N=[N+]=[N-])o1 ZINC000033375243 518840128 /nfs/dbraw/zinc/84/01/28/518840128.db2.gz FFOSXMQFFCHCFV-LLVKDONJSA-N 0 0 330.348 3.820 40 30 EHEBRN C=CCNC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 ZINC000036182063 518901938 /nfs/dbraw/zinc/90/19/38/518901938.db2.gz XFYOUWADAXFMOS-UHFFFAOYSA-N 0 0 335.432 3.717 40 30 EHEBRN C=CCOc1ccc(C(=O)Nc2nnc(SCCC)s2)cc1 ZINC000039989130 519027935 /nfs/dbraw/zinc/02/79/35/519027935.db2.gz LWYUGZFDFFNKMY-UHFFFAOYSA-N 0 0 335.454 3.857 40 30 EHEBRN C=CCSc1nnc(NC(=O)CCc2ccc(CC)cc2)s1 ZINC000021579729 519084705 /nfs/dbraw/zinc/08/47/05/519084705.db2.gz GDEXBPCHHIBOOS-UHFFFAOYSA-N 0 0 333.482 3.950 40 30 EHEBRN COc1cc(/C(C)=N/OC(=O)c2ccc(C)cc2)cc(OC)c1OC ZINC000020366764 521923568 /nfs/dbraw/zinc/92/35/68/521923568.db2.gz WWQQCRAUYAGGKW-DEDYPNTBSA-N 0 0 343.379 3.602 40 30 EHEBRN Cc1ccc(O)c(/C(CC/C(=N\O)c2cc(O)ccc2C)=N/O)c1 ZINC000005541879 525331463 /nfs/dbraw/zinc/33/14/63/525331463.db2.gz GVNBBUTYEQIKQF-VQZJLROISA-N 0 0 328.368 3.552 40 30 EHEBRN OCCC/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1Cl ZINC000027986978 527532205 /nfs/dbraw/zinc/53/22/05/527532205.db2.gz FUUFNZOICKEZJT-FYJGNVAPSA-N 0 0 339.826 3.994 40 30 EHEBRN COC1(C(=O)Nc2ccc(OC(C)C)cc2C#N)CCC(C)CC1 ZINC000225811065 536543691 /nfs/dbraw/zinc/54/36/91/536543691.db2.gz WYCGGUFCPTUOOY-UHFFFAOYSA-N 0 0 330.428 3.879 40 30 EHEBRN N#Cc1ccc(/N=C/c2ccccc2I)cc1 ZINC000408550612 563464537 /nfs/dbraw/zinc/46/45/37/563464537.db2.gz IJMXJPZNUHCFNO-LICLKQGHSA-N 0 0 332.144 3.913 40 30 EHEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cc(Br)cs2)c1 ZINC000408596503 563494919 /nfs/dbraw/zinc/49/49/19/563494919.db2.gz ZRRUFYBGVYTFSD-MKMNVTDBSA-N 0 0 341.186 3.970 40 30 EHEBRN COc1ccc(/C(C)=N/N=C\c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000005181397 563522075 /nfs/dbraw/zinc/52/20/75/563522075.db2.gz KGJYOQSRHMLPQG-AYRZQKSOSA-N 0 0 342.395 3.564 40 30 EHEBRN CC1(C)CC(=O)C(=CNc2nc(Cl)nc3ccccc32)C(=O)C1 ZINC000006392820 563566999 /nfs/dbraw/zinc/56/69/99/563566999.db2.gz FCXZQCVWDQACKQ-UHFFFAOYSA-N 0 0 329.787 3.537 40 30 EHEBRN CCn1c2ccccc2[nH]c1=NN=Cc1ccc(Br)o1 ZINC000408692261 563572787 /nfs/dbraw/zinc/57/27/87/563572787.db2.gz IREQLGWMHSCNAJ-CXUHLZMHSA-N 0 0 333.189 3.858 40 30 EHEBRN COc1cccc(C=Nc2nc[nH]n2)c1OCc1ccc(Cl)cc1 ZINC000006762399 563585716 /nfs/dbraw/zinc/58/57/16/563585716.db2.gz XUPRAXFWFBIGDE-DJKKODMXSA-N 0 0 342.786 3.796 40 30 EHEBRN COc1ccc(/N=C2/NC(=O)/C(=C/c3cccc(F)c3)S2)cc1 ZINC000007275658 563599048 /nfs/dbraw/zinc/59/90/48/563599048.db2.gz BLZPIRRNROZKIK-GDNBJRDFSA-N 0 0 328.368 3.726 40 30 EHEBRN N#CCc1ccc(NC(=S)NCCSc2ccccc2)cc1 ZINC000007369125 563600510 /nfs/dbraw/zinc/60/05/10/563600510.db2.gz BGGYUQXDAZRPRF-UHFFFAOYSA-N 0 0 327.478 3.831 40 30 EHEBRN Cc1cc(C)cc(NN=C2c3cc(Br)ccc3NC2=O)c1 ZINC000008513971 563631567 /nfs/dbraw/zinc/63/15/67/563631567.db2.gz RTCTYLGBXKXAFA-UHFFFAOYSA-N 0 0 344.212 3.834 40 30 EHEBRN COc1ccc(OC)c(C(=O)CSc2nc(C)cc(C)c2C#N)c1 ZINC000000422658 563863576 /nfs/dbraw/zinc/86/35/76/563863576.db2.gz CBIUGBQGXHJCOA-UHFFFAOYSA-N 0 0 342.420 3.562 40 30 EHEBRN S=C1N=NC(c2cccs2)N1N=Cc1c[nH]c2ccccc12 ZINC000028380142 563902836 /nfs/dbraw/zinc/90/28/36/563902836.db2.gz RRLQSYOGNJQYRD-RQZCQDPDSA-N 0 0 325.422 3.659 40 30 EHEBRN C=CCOc1cccc(CN(C)S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000223749062 563987744 /nfs/dbraw/zinc/98/77/44/563987744.db2.gz SIUBTNNIQXXWCU-UHFFFAOYSA-N 0 0 345.464 3.689 40 30 EHEBRN C=CCc1cc(C(=O)NCCOc2cc(C)cc(C)c2)ccc1OC ZINC000224080632 563992301 /nfs/dbraw/zinc/99/23/01/563992301.db2.gz AMZROXZPJUMDLT-UHFFFAOYSA-N 0 0 339.435 3.849 40 30 EHEBRN C=CCOc1ccc(C(=O)Nc2nnc(SC(C)C)s2)cc1 ZINC000224373192 563993840 /nfs/dbraw/zinc/99/38/40/563993840.db2.gz HQMNETSJBRQWIV-UHFFFAOYSA-N 0 0 335.454 3.856 40 30 EHEBRN C=CCN(c1ccc(CC)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000224643810 563994511 /nfs/dbraw/zinc/99/45/11/563994511.db2.gz IYEACLQJXMCVFH-UHFFFAOYSA-N 0 0 345.464 3.947 40 30 EHEBRN C=CCN(c1cccc(C)c1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225002760 563995483 /nfs/dbraw/zinc/99/54/83/563995483.db2.gz DEYKRAOVEMLPJA-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN N#CC1=NN(c2ccccc2)CC(c2ccc(Br)cc2)=N1 ZINC000005603900 564006249 /nfs/dbraw/zinc/00/62/49/564006249.db2.gz JVKMMOXHCLDPLU-UHFFFAOYSA-N 0 0 339.196 3.595 40 30 EHEBRN O=C1c2ccccc2C(=O)N1/N=C/c1cccn1-c1ccc(Cl)cc1 ZINC000408852153 564007554 /nfs/dbraw/zinc/00/75/54/564007554.db2.gz IVTCSQYVMBKDFY-CIAFOILYSA-N 0 0 349.777 3.761 40 30 EHEBRN C=CCc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000408914545 564008004 /nfs/dbraw/zinc/00/80/04/564008004.db2.gz YJRSCNIINUPKHT-UNOMPAQXSA-N 0 0 341.367 3.787 40 30 EHEBRN CCCCCCCCNC(=S)Nc1ccc2nc[nH]c(=O)c2c1 ZINC000408993061 564008736 /nfs/dbraw/zinc/00/87/36/564008736.db2.gz BSTHZALVGYDJJS-UHFFFAOYSA-N 0 0 332.473 3.982 40 30 EHEBRN CSc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000001096780 564013011 /nfs/dbraw/zinc/01/30/11/564013011.db2.gz HJHUIVBSXHSERK-DEDYPNTBSA-N 0 0 337.448 3.957 40 30 EHEBRN Cc1cc2c(cc1/C=N/NC(N)=S)C(C)=CC(C)(C)N2C(C)C ZINC000223501461 564040274 /nfs/dbraw/zinc/04/02/74/564040274.db2.gz JZOWMSXXZHXCIT-KEBDBYFISA-N 0 0 330.501 3.572 40 30 EHEBRN C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)CNc1ccc(C#N)cc1 ZINC000332514321 564052410 /nfs/dbraw/zinc/05/24/10/564052410.db2.gz WFPSVXPNJCJXNA-ZIAGYGMSSA-N 0 0 337.398 3.644 40 30 EHEBRN CCOc1cc(/C=N\O)ccc1OCC(=O)Nc1ccccc1Cl ZINC000006960948 564126391 /nfs/dbraw/zinc/12/63/91/564126391.db2.gz YKQDTLGUBWHEEA-GRSHGNNSSA-N 0 0 348.786 3.564 40 30 EHEBRN Cn1cc(/C=C2\Oc3cc(OCC#N)ccc3C2=O)c2ccccc21 ZINC000028182772 564150625 /nfs/dbraw/zinc/15/06/25/564150625.db2.gz PHDIDLCYTYIRQG-GRSHGNNSSA-N 0 0 330.343 3.697 40 30 EHEBRN CC=CC(=O)[C@H](C(=O)OC(C)(C)C)[C@@H](c1ccccc1)[C@@H](C)[N+](=O)[O-] ZINC000005223412 1037534388 /nfs/dbraw/zinc/53/43/88/1037534388.db2.gz HTQLNQIWJBMCJJ-GJXTZZIHSA-N 0 0 347.411 3.539 40 30 EHEBRN CC[C@]1(C)NC(=O)N(N=Cc2ccc(-c3ccc(Cl)cc3)o2)C1=O ZINC000020935009 212190113 /nfs/dbraw/zinc/19/01/13/212190113.db2.gz JMUVMYMUYBVXEX-AEUYPJEVSA-N 0 0 345.786 3.654 40 30 EHEBRN CCOC(=O)C#C[C@@]12CCC(c3ccccc3)(c3ccccc3)C[C@@H]1O2 ZINC000004265060 210155467 /nfs/dbraw/zinc/15/54/67/210155467.db2.gz DEIWTPQTXUIODQ-NZQKXSOJSA-N 0 0 346.426 3.861 40 30 EHEBRN O=C1ON=C(c2ccccc2Cl)/C1=C/C1=COc2ccccc2O1 ZINC000101662037 219152803 /nfs/dbraw/zinc/15/28/03/219152803.db2.gz JFOWYJBWQKOFMV-LCYFTJDESA-N 0 0 339.734 3.840 40 30 EHEBRN N#Cc1c(N)n(-c2cccc(Cl)c2)nc1-c1ccc(F)cc1F ZINC000039955384 213246181 /nfs/dbraw/zinc/24/61/81/213246181.db2.gz WEGFCUVMKZVFBC-UHFFFAOYSA-N 0 0 330.725 3.925 40 30 EHEBRN Cc1ccc2cc(C#N)c(SCC(=O)NC3CCCCC3)nc2c1 ZINC000000411057 209574153 /nfs/dbraw/zinc/57/41/53/209574153.db2.gz XYGUJMNOQWVCLP-UHFFFAOYSA-N 0 0 339.464 3.956 40 30 EHEBRN C=CCOC(=O)c1ccc2oc(-c3ccc(OC)c(OC)c3)nc2c1 ZINC000216794130 241212822 /nfs/dbraw/zinc/21/28/22/241212822.db2.gz XPCREGNJQHBNHW-UHFFFAOYSA-N 0 0 339.347 3.855 40 30 EHEBRN N#Cc1c(N)n(Cc2cccc(F)c2)nc1Cc1ccccc1Cl ZINC000225841831 242058404 /nfs/dbraw/zinc/05/84/04/242058404.db2.gz VEQAXBBRDXTBQZ-UHFFFAOYSA-N 0 0 340.789 3.769 40 30 EHEBRN N#Cc1c(N)n(Cc2ccc(F)cc2)nc1Cc1ccccc1Cl ZINC000225842588 242059020 /nfs/dbraw/zinc/05/90/20/242059020.db2.gz GNKLWXAMUGWQJR-UHFFFAOYSA-N 0 0 340.789 3.769 40 30 EHEBRN COc1ccccc1OCCn1c(C#N)cc(N)c1CCC(C)C ZINC000225862640 242066192 /nfs/dbraw/zinc/06/61/92/242066192.db2.gz WISPEISHHICBOI-UHFFFAOYSA-N 0 0 327.428 3.618 40 30 EHEBRN N#Cc1c(N)n(C(=O)c2ccc(Br)cc2)c2ccccc12 ZINC000016778014 211934559 /nfs/dbraw/zinc/93/45/59/211934559.db2.gz WRPINQMBVFLHFI-UHFFFAOYSA-N 0 0 340.180 3.546 40 30 EHEBRN CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000005369800 210450005 /nfs/dbraw/zinc/45/00/05/210450005.db2.gz FGXAJBJQNKMONT-SXGWCWSVSA-N 0 0 334.719 3.993 40 30 EHEBRN C=CCOc1c(/C=C2/N=C(c3cccs3)OC2=O)cccc1OC ZINC000004997874 210354068 /nfs/dbraw/zinc/35/40/68/210354068.db2.gz MBJMYUPOFRJIBJ-ACCUITESSA-N 0 0 341.388 3.666 40 30 EHEBRN C=C(C)COc1c(/C=C2/N=C(c3ccco3)OC2=O)cccc1OC ZINC000005000803 210355141 /nfs/dbraw/zinc/35/51/41/210355141.db2.gz OXGOUHVZWNDXDN-GXDHUFHOSA-N 0 0 339.347 3.588 40 30 EHEBRN Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(C#N)cc2)SC1=S ZINC000409193856 257875229 /nfs/dbraw/zinc/87/52/29/257875229.db2.gz GDBHFEDPMPYXLI-OQLLNIDSSA-N 0 0 339.445 3.514 40 30 EHEBRN O=[N+]([O-])c1cccnc1N=NCc1cccn1-c1ccc(Cl)cc1 ZINC000409113377 257878519 /nfs/dbraw/zinc/87/85/19/257878519.db2.gz HRLYHQINERUWHT-YBFXNURJSA-N 0 0 341.758 3.880 40 30 EHEBRN C=CCOc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 ZINC000014039191 257859203 /nfs/dbraw/zinc/85/92/03/257859203.db2.gz AOKGMFMTXDBYHT-WUXMJOGZSA-N 0 0 339.391 3.921 40 30 EHEBRN C/C(=N\NC(=S)NC1CCCCC1)c1ccccc1OC(F)F ZINC000007013759 518463316 /nfs/dbraw/zinc/46/33/16/518463316.db2.gz VLSIFBCENACTHL-RGVLZGJSSA-N 0 0 341.427 3.809 40 30 EHEBRN C=CCOc1cccc(NC(=O)[C@H](C)Oc2cccc(OC)c2)c1 ZINC000038755835 519056755 /nfs/dbraw/zinc/05/67/55/519056755.db2.gz QMTNRHSVFRWCHY-AWEZNQCLSA-N 0 0 327.380 3.666 40 30 EHEBRN C=CCSc1nnc(NC(=O)CCCOc2ccc(C)cc2)s1 ZINC000007594322 519084644 /nfs/dbraw/zinc/08/46/44/519084644.db2.gz HNFICVBIYLXXFP-UHFFFAOYSA-N 0 0 349.481 3.922 40 30 EHEBRN CC(=O)C(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)=C1SCCCS1 ZINC000068590763 519359520 /nfs/dbraw/zinc/35/95/20/519359520.db2.gz QSCDZPPEFWVRFF-VOTSOKGWSA-N 0 0 349.433 3.848 40 30 EHEBRN Cc1ccc(C(=O)/C=C\Sc2nnnn2-c2ccccc2)c(C)c1 ZINC000016284714 526015730 /nfs/dbraw/zinc/01/57/30/526015730.db2.gz QHSMDUHQBUHNDK-KHPPLWFESA-N 0 0 336.420 3.768 40 30 EHEBRN CCCCCc1c(N)cc(C#N)n1CC(=O)Nc1ccc(Cl)cc1 ZINC000225861192 535140216 /nfs/dbraw/zinc/14/02/16/535140216.db2.gz ZGUUWJMSJMWYSA-UHFFFAOYSA-N 0 0 344.846 3.967 40 30 EHEBRN CN(C)c1ccc(-n2cccc2/C=N/OCc2ccccc2C#N)cc1 ZINC000408597153 563495184 /nfs/dbraw/zinc/49/51/84/563495184.db2.gz XNZKMROFCJBXJB-HZHRSRAPSA-N 0 0 344.418 3.966 40 30 EHEBRN C/C(=N\O)[C@H](c1ccccc1)n1c(C)[n+]([O-])c(C)c1-c1ccccc1 ZINC000005537323 563537641 /nfs/dbraw/zinc/53/76/41/563537641.db2.gz SKWATZTTWMKJGV-KNGGAZFVSA-N 0 0 335.407 3.845 40 30 EHEBRN CC/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000005640229 563543605 /nfs/dbraw/zinc/54/36/05/563543605.db2.gz GJNUVLIPQNQTSQ-VLGSPTGOSA-N 0 0 336.844 3.741 40 30 EHEBRN Cn1c(/C=C2/S/C(=N\c3cccc(O)c3)NC2=O)cc2ccccc21 ZINC000008417264 563630068 /nfs/dbraw/zinc/63/00/68/563630068.db2.gz RBWCXVSZUNQEBQ-GZTJUZNOSA-N 0 0 349.415 3.776 40 30 EHEBRN COc1ccc2[nH]cc(/C=N/c3ccc(OC)cc3[N+](=O)[O-])c2c1 ZINC000016227743 563806319 /nfs/dbraw/zinc/80/63/19/563806319.db2.gz MMOSMTKDULCICY-VXLYETTFSA-N 0 0 325.324 3.844 40 30 EHEBRN CCS[C@H]1C=C(c2ccc(Br)cc2)OC(=O)[C@@H]1C#N ZINC000016693620 563820615 /nfs/dbraw/zinc/82/06/15/563820615.db2.gz AGSWPIANMQNOJV-YPMHNXCESA-N 0 0 338.226 3.608 40 30 EHEBRN CC1=C2CC[C@H]3[C@@H]4CC[C@@](C)(O)[C@@]4(C)C[C@@H](O)[C@@H]3[C@@]2(C)CCC1=O ZINC000017301694 563842583 /nfs/dbraw/zinc/84/25/83/563842583.db2.gz WGWIOQHCYQKREK-DHQOFIEISA-N 0 0 332.484 3.630 40 30 EHEBRN COC1=C(C)[C@H]2CC(=O)O[C@@H]3C[C@H]4CCCC[C@@]4(C)[C@H](C1=O)[C@]32C ZINC000033781964 563916595 /nfs/dbraw/zinc/91/65/95/563916595.db2.gz GQMXVFMCJJFXBG-GOCWBJTDSA-N 0 0 332.440 3.644 40 30 EHEBRN Cc1sc(NC(=S)NC(=O)C=Cc2ccccc2)c(C#N)c1C ZINC000014257830 563983791 /nfs/dbraw/zinc/98/37/91/563983791.db2.gz BTJYBPSIGSJPKY-CMDGGOBGSA-N 0 0 341.461 3.763 40 30 EHEBRN C=CCc1cc(C(=O)NCCOc2ccc(C)cc2C)ccc1OC ZINC000224126749 563992629 /nfs/dbraw/zinc/99/26/29/563992629.db2.gz VLUHMGRKXQTWQG-UHFFFAOYSA-N 0 0 339.435 3.849 40 30 EHEBRN C=CCc1cc(C(=O)N[C@@H](C)c2ccccc2OC)ccc1OC ZINC000225215052 563995750 /nfs/dbraw/zinc/99/57/50/563995750.db2.gz KDWGQXRFTSHDGW-AWEZNQCLSA-N 0 0 325.408 3.923 40 30 EHEBRN C=CCc1cc(C(=O)Nc2nnc(SCC)s2)ccc1OC ZINC000225327930 563995787 /nfs/dbraw/zinc/99/57/87/563995787.db2.gz WKXIHXXRCQQRLY-UHFFFAOYSA-N 0 0 335.454 3.640 40 30 EHEBRN C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O ZINC000408916293 564008020 /nfs/dbraw/zinc/00/80/20/564008020.db2.gz BEDRDZBRNOHPPY-ATVHPVEESA-N 0 0 336.416 3.764 40 30 EHEBRN CN(C)c1ccc([N+](=O)[O-])cc1C=[NH+][N-]c1nc2ccccc2s1 ZINC000408996396 564008742 /nfs/dbraw/zinc/00/87/42/564008742.db2.gz IBEFHUSAQUSFBB-YVLHZVERSA-N 0 0 341.396 3.717 40 30 EHEBRN C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409047310 564009212 /nfs/dbraw/zinc/00/92/12/564009212.db2.gz MEMLQPVFWSITCE-QGOAFFKASA-N 0 0 349.411 3.935 40 30 EHEBRN COc1cc(C(=O)C=CN[C@H](C)c2ccccc2)cc(OC)c1OC ZINC000409060127 564009291 /nfs/dbraw/zinc/00/92/91/564009291.db2.gz TUGPWTKQUSVGJX-PLSXKVAHSA-N 0 0 341.407 3.760 40 30 EHEBRN C=CCc1cc(/C=N/O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409075087 564009401 /nfs/dbraw/zinc/00/94/01/564009401.db2.gz UCRFCDZRVSDMMO-YBFXNURJSA-N 0 0 342.351 3.719 40 30 EHEBRN FC(F)(F)c1ccc(NN=Cc2ccc(Br)o2)nc1 ZINC000409107106 564010131 /nfs/dbraw/zinc/01/01/31/564010131.db2.gz UWQKGIXNUQLPST-UBKPWBPPSA-N 0 0 334.095 3.902 40 30 EHEBRN CCN1C(=O)/C(=C\c2cccn2C)S/C1=N/c1ccc(OC)cc1 ZINC000409235403 564011298 /nfs/dbraw/zinc/01/12/98/564011298.db2.gz PFTVFRIOMAHJRK-IRYZSLSISA-N 0 0 341.436 3.658 40 30 EHEBRN COc1ccc(/N=C\c2ccc(N3CCCCC3)cc2OC)cn1 ZINC000409247124 564011331 /nfs/dbraw/zinc/01/13/31/564011331.db2.gz GJOGDKRJKSWQJO-MOSHPQCFSA-N 0 0 325.412 3.840 40 30 EHEBRN CCOc1cc(/C=N\O)ccc1OCC(=O)Nc1cc(C)ccc1C ZINC000409266406 564011395 /nfs/dbraw/zinc/01/13/95/564011395.db2.gz YMWWTDJENJFQML-JAIQZWGSSA-N 0 0 342.395 3.528 40 30 EHEBRN NC(=S)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12 ZINC000058822635 564050376 /nfs/dbraw/zinc/05/03/76/564050376.db2.gz GKRMDRPAPAPSCA-AWQFTUOYSA-N 0 0 342.855 3.510 40 30 EHEBRN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C[C@H](O)[C@]4(C)[C@@H]3CC[C@@]12C ZINC000521205734 564089205 /nfs/dbraw/zinc/08/92/05/564089205.db2.gz AARNXMRADQFOEB-KCTPXNJMSA-N 0 0 330.468 3.694 40 30 EHEBRN COc1ccc(C=NN2C(=S)N=NC2C2CCCCC2)c(OC)c1 ZINC000253617009 564124699 /nfs/dbraw/zinc/12/46/99/564124699.db2.gz UTMIIIRHKFSEHC-UHFFFAOYSA-N 0 0 346.456 3.514 40 30 EHEBRN C=CCOc1ccc(C(=O)NCCSCc2ccccc2)cc1 ZINC000008492276 564127468 /nfs/dbraw/zinc/12/74/68/564127468.db2.gz XWZRYYOGLPHTKY-UHFFFAOYSA-N 0 0 327.449 3.915 40 30 EHEBRN C=CCOc1ccc(C(=O)Nc2cccc(C(=O)OC)c2C)cc1 ZINC000008558242 564127535 /nfs/dbraw/zinc/12/75/35/564127535.db2.gz CVWBWMJLCIQJKE-UHFFFAOYSA-N 0 0 325.364 3.599 40 30 EHEBRN CCN(Cc1ccccc1)c1nn(-c2cc(C)ccc2C)nc1C#N ZINC000256046525 564134693 /nfs/dbraw/zinc/13/46/93/564134693.db2.gz GKLPYMSMYNEZTJ-UHFFFAOYSA-N 0 0 331.423 3.782 40 30 EHEBRN N#Cc1nn(-c2ccc(Cl)cc2)nc1N1CC[C@H](c2ccccc2)C1 ZINC000256047817 564134731 /nfs/dbraw/zinc/13/47/31/564134731.db2.gz OXXMWYNDRZMSBE-HNNXBMFYSA-N 0 0 349.825 3.786 40 30 EHEBRN COc1ccc(C2N=NC(=S)N2N=Cc2ccccc2Cl)cc1 ZINC000004680606 210246377 /nfs/dbraw/zinc/24/63/77/210246377.db2.gz IUXIRUKUSAUYII-ZDLGFXPLSA-N 0 0 344.827 3.778 40 30 EHEBRN Cc1ccc(NC(=S)N/N=C2\C(=O)[C@]3(C)CC[C@H]2C3(C)C)cc1 ZINC000004018165 210101003 /nfs/dbraw/zinc/10/10/03/210101003.db2.gz MRIMEGOJEOGCCJ-YXASHSFBSA-N 0 0 329.469 3.663 40 30 EHEBRN NN=C1c2cc(Cl)cc(Cl)c2N=C1OC(=O)Nc1ccccc1 ZINC000104214884 219361567 /nfs/dbraw/zinc/36/15/67/219361567.db2.gz LBRDRXAISHEVSF-FYJGNVAPSA-N 0 0 349.177 3.949 40 30 EHEBRN C=CCOc1cccc(NC(=O)CCc2ccc3c(c2)OCCO3)c1 ZINC000195624773 241031486 /nfs/dbraw/zinc/03/14/86/241031486.db2.gz VVAQXVUBPWXCOK-UHFFFAOYSA-N 0 0 339.391 3.594 40 30 EHEBRN C#CCOC(=O)/C=C/c1ccc(OCc2cccnc2)c(Cl)c1 ZINC000216888053 241217821 /nfs/dbraw/zinc/21/78/21/241217821.db2.gz WVNDDDFSYAMRCY-SOFGYWHQSA-N 0 0 327.767 3.504 40 30 EHEBRN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@H]2C#N)cc1 ZINC000218533390 241330658 /nfs/dbraw/zinc/33/06/58/241330658.db2.gz QXSVQYIHIIZGRS-IKGGRYGDSA-N 0 0 331.824 3.728 40 30 EHEBRN C/N=C1\S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)C(=O)N1C ZINC000223525179 241662841 /nfs/dbraw/zinc/66/28/41/241662841.db2.gz OLSIWUOCUFMGSI-LLQDROSLSA-N 0 0 343.496 3.941 40 30 EHEBRN CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cc1C#N ZINC000225832281 242055272 /nfs/dbraw/zinc/05/52/72/242055272.db2.gz LMIZDUPSMJBCKP-IFXJQAMLSA-N 0 0 330.428 3.881 40 30 EHEBRN CCCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)cc1C#N ZINC000225836391 242056433 /nfs/dbraw/zinc/05/64/33/242056433.db2.gz NUIQOGFDRANMKT-LJQANCHMSA-N 0 0 330.428 3.881 40 30 EHEBRN N#CCSc1nc(N)cc(-c2ccc(Br)cc2)c1C#N ZINC000020459286 212133064 /nfs/dbraw/zinc/13/30/64/212133064.db2.gz LYAJGEFMVDGSHF-UHFFFAOYSA-N 0 0 345.225 3.581 40 30 EHEBRN O=C(O/N=C1/c2ccccc2-c2nc3ccccc3nc21)c1ccco1 ZINC000017241487 211961603 /nfs/dbraw/zinc/96/16/03/211961603.db2.gz WBSWWONMTZEOGS-NKFKGCMQSA-N 0 0 341.326 3.813 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@]45O[C@H]4C(=O)CC[C@]5(C)[C@H]3CC[C@]12C ZINC000004783131 210276838 /nfs/dbraw/zinc/27/68/38/210276838.db2.gz AHUAGQAMTIBPDR-JFYOIKPISA-N 0 0 330.468 3.935 40 30 in-vitro EHEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cccn3CC)S2)cc1 ZINC000408952753 257885316 /nfs/dbraw/zinc/88/53/16/257885316.db2.gz MKZWLADLYGAJBN-FOWTUZBSSA-N 0 0 341.436 3.798 40 30 EHEBRN N#Cc1c(N)n(-c2ccccc2)nc1-c1ccc(Br)cc1 ZINC000408920124 257885956 /nfs/dbraw/zinc/88/59/56/257885956.db2.gz HJTWUVAOBYMLKA-UHFFFAOYSA-N 0 0 339.196 3.756 40 30 EHEBRN O=[N+]([O-])c1ccc(C(F)(C(F)(F)F)C(F)(F)F)c([N+](=O)[O-])c1 ZINC000002539791 257911440 /nfs/dbraw/zinc/91/14/40/257911440.db2.gz ZPBKPUYGHSLFPE-UHFFFAOYSA-N 0 0 336.119 3.792 40 30 EHEBRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CCC(=O)[C@]4(C)CC[C@H]32)C1 ZINC000253617568 258073524 /nfs/dbraw/zinc/07/35/24/258073524.db2.gz VVSMJVQHDZUPIL-IXLSQNRCSA-N 0 0 344.451 3.629 40 30 EHEBRN C=CCOc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1 ZINC000036561608 519027126 /nfs/dbraw/zinc/02/71/26/519027126.db2.gz HZMSFQTZHRJPPL-UHFFFAOYSA-N 0 0 325.408 3.969 40 30 EHEBRN C=CCc1cc(C(=O)NCCCc2cccc(OC)c2)ccc1OC ZINC000218655910 534408068 /nfs/dbraw/zinc/40/80/68/534408068.db2.gz LEESIUJQKYCOJC-UHFFFAOYSA-N 0 0 339.435 3.795 40 30 EHEBRN C=C[C@@](C)(O)/C=C\C=C(/C)[C@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C\C ZINC000005566257 519299031 /nfs/dbraw/zinc/29/90/31/519299031.db2.gz VXKDXPKKPDBCSU-BTZODNBUSA-N 0 0 334.456 3.871 40 30 EHEBRN CCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)c(C#N)c1 ZINC000225809129 535275077 /nfs/dbraw/zinc/27/50/77/535275077.db2.gz QBERSZFHWQPQDU-AUUYWEPGSA-N 0 0 330.428 3.881 40 30 EHEBRN Cc1ccccc1C1N=NC(=S)N1N=Cc1c[nH]c2ccccc12 ZINC000000032498 563211789 /nfs/dbraw/zinc/21/17/89/563211789.db2.gz XJXUMLPLUFKSTO-RGVLZGJSSA-N 0 0 333.420 3.906 40 30 EHEBRN CCNC(=S)N=NCc1cccc(OCc2ccccc2F)c1 ZINC000001969055 563417191 /nfs/dbraw/zinc/41/71/91/563417191.db2.gz AOSDQDIGBZBXQY-RGVLZGJSSA-N 0 0 331.416 3.634 40 30 EHEBRN Cc1ccc(S(=O)(=O)N/N=C2\CCCC\C2=C/c2ccco2)cc1 ZINC000005794652 563550738 /nfs/dbraw/zinc/55/07/38/563550738.db2.gz ZCJDOYNEAHKDIW-AXXMRAISSA-N 0 0 344.436 3.880 40 30 EHEBRN CCn1c2ccccc2nc1NN=C(C)c1ccc2c(c1)OCCO2 ZINC000408692616 563573950 /nfs/dbraw/zinc/57/39/50/563573950.db2.gz QSIKQYXKVXOFEK-BKUYFWCQSA-N 0 0 336.395 3.664 40 30 EHEBRN CCOC(=O)C1(C#N)[C@@H](c2ccccc2)CC(=O)C[C@H]1c1ccccc1 ZINC000006843446 563588591 /nfs/dbraw/zinc/58/85/91/563588591.db2.gz QRYPXLQVHZQIEK-RLAPIPATSA-N 0 0 347.414 3.990 40 30 EHEBRN CC(=O)C(=Cn1c2ccccc2[nH]c1=S)C(=O)Nc1ccccc1 ZINC000008651942 563634212 /nfs/dbraw/zinc/63/42/12/563634212.db2.gz IQCLQSUBHWAMKK-KAMYIIQDSA-N 0 0 337.404 3.767 40 30 EHEBRN C/C(=N\NC(=S)N1CCC(C)CC1)c1cccc2cccnc21 ZINC000008651618 563634247 /nfs/dbraw/zinc/63/42/47/563634247.db2.gz VHONWPZYPJLBRM-XSFVSMFZSA-N 0 0 326.469 3.565 40 30 EHEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(-c3ccc(F)cc3)o2)nc1 ZINC000408749691 563640813 /nfs/dbraw/zinc/64/08/13/563640813.db2.gz IUDRJYJOSNDFLX-GRSHGNNSSA-N 0 0 326.287 3.835 40 30 EHEBRN CN1c2ccc([N+](=O)[O-])cc2C(=NNc2ccc3ccccc3c2)C1=O ZINC000015018324 563773576 /nfs/dbraw/zinc/77/35/76/563773576.db2.gz PDRZVVISWFDIFJ-DYTRJAOYSA-N 0 0 346.346 3.541 40 30 EHEBRN Cc1ccccc1/C=N/NC(=S)NC12CC3CC(CC(C3)C1)C2 ZINC000016919433 563825755 /nfs/dbraw/zinc/82/57/55/563825755.db2.gz CCRPKJXNCZHTAT-UDWIEESQSA-N 0 0 327.497 3.762 40 30 EHEBRN COc1ccc(/C(C)=N\N=C/c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000017025334 563828858 /nfs/dbraw/zinc/82/88/58/563828858.db2.gz KGJYOQSRHMLPQG-FDYZEBBJSA-N 0 0 342.395 3.564 40 30 EHEBRN Cc1ccc(S(=O)(=O)N/N=C2\C[C@@H]3CC[C@H]2c2ccccc23)cc1 ZINC000043761756 563925898 /nfs/dbraw/zinc/92/58/98/563925898.db2.gz AZHKYGPUGQHNLW-WLDWYZPQSA-N 0 0 340.448 3.694 40 30 EHEBRN CC[C@@H](/C(=N/O)c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC ZINC000096524595 563956862 /nfs/dbraw/zinc/95/68/62/563956862.db2.gz TUKAJJLHQYYHDN-SISFKGJESA-N 0 0 331.437 3.745 40 30 EHEBRN CCCCCCCCSc1nc2c([nH]1)n(C)c(=O)n(C)c2=S ZINC000095871050 563977723 /nfs/dbraw/zinc/97/77/23/563977723.db2.gz XNSPJKAHKOGEEA-UHFFFAOYSA-N 0 0 340.518 3.782 40 30 EHEBRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN(C)C)sc2C1 ZINC000014218215 563983468 /nfs/dbraw/zinc/98/34/68/563983468.db2.gz LCRRYUCTODCQBZ-LBPRGKRZSA-N 0 0 333.501 3.661 40 30 EHEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3C)NC2=O)c(C)n1C ZINC000408784996 564007277 /nfs/dbraw/zinc/00/72/77/564007277.db2.gz FBQWCVFCUJYSOG-YBEGLDIGSA-N 0 0 325.437 3.842 40 30 EHEBRN O=C(COc1ccc(/C=N\c2ccccc2)cc1)NCc1ccco1 ZINC000408809593 564007353 /nfs/dbraw/zinc/00/73/53/564007353.db2.gz OKJQLMWEARGMRQ-BKUYFWCQSA-N 0 0 334.375 3.725 40 30 EHEBRN Cc1cccc(/N=C\c2cc(Br)c(N3CCOCC3)o2)c1 ZINC000408851941 564007568 /nfs/dbraw/zinc/00/75/68/564007568.db2.gz BZDYFVURYJSSGP-WQRHYEAKSA-N 0 0 349.228 3.938 40 30 EHEBRN C#CC(C)(C)NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000408909872 564007973 /nfs/dbraw/zinc/00/79/73/564007973.db2.gz IPKBVTDSNPFNDA-NBVRZTHBSA-N 0 0 334.375 3.663 40 30 EHEBRN COC(=O)c1cccc(/N=C\c2ccc(N3CCCC3)c(F)c2)c1 ZINC000409098366 564009885 /nfs/dbraw/zinc/00/98/85/564009885.db2.gz ONKVEIYKEVIUQF-BKUYFWCQSA-N 0 0 326.371 3.963 40 30 EHEBRN C=CCn1cc(/C=C2/SC(=O)N(CCOC)C2=O)c2ccccc21 ZINC000409139001 564010465 /nfs/dbraw/zinc/01/04/65/564010465.db2.gz KZFZNVNQTYOZQG-LFIBNONCSA-N 0 0 342.420 3.510 40 30 EHEBRN O=C(COc1c(Cl)cc(/C=N\O)cc1Cl)Nc1ccccc1 ZINC000409257277 564011379 /nfs/dbraw/zinc/01/13/79/564011379.db2.gz RWUVRSNFDUAKNE-LSCVHKIXSA-N 0 0 339.178 3.819 40 30 EHEBRN O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cccnc1 ZINC000409295818 564011613 /nfs/dbraw/zinc/01/16/13/564011613.db2.gz PGIMTANCUPAVDG-UHFFFAOYSA-N 0 0 332.407 3.721 40 30 EHEBRN O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccccn1 ZINC000409306526 564011688 /nfs/dbraw/zinc/01/16/88/564011688.db2.gz QREDSRWMBPXNII-UHFFFAOYSA-N 0 0 332.407 3.721 40 30 EHEBRN CCOc1cc(C#N)ccc1OCC(=O)Nc1cc(Cl)ccc1C ZINC000014735594 564014327 /nfs/dbraw/zinc/01/43/27/564014327.db2.gz CXEJMEMRFNTBGQ-UHFFFAOYSA-N 0 0 344.798 3.936 40 30 EHEBRN CCNC(=S)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 ZINC000006418242 564014776 /nfs/dbraw/zinc/01/47/76/564014776.db2.gz REWOGQDUWUTIHA-CIAFOILYSA-N 0 0 336.464 3.508 40 30 EHEBRN C=CCc1cc(C(=O)N(C)Cc2ccc(OC)cc2)ccc1OC ZINC000014396662 564022266 /nfs/dbraw/zinc/02/22/66/564022266.db2.gz WYGUYMPBGNDAPV-UHFFFAOYSA-N 0 0 325.408 3.705 40 30 EHEBRN CSc1ccc([C@H]2C3C(=O)C[C@@H](C)CC3=Nc3nc(C)nn32)cc1 ZINC000014608136 564023611 /nfs/dbraw/zinc/02/36/11/564023611.db2.gz COMDLVGFFATOJH-BTDLBPIBSA-N 0 0 340.452 3.576 40 30 EHEBRN CCOc1ccc(/C(C)=N/NCc2ccc(OC)c(OC)c2)cc1 ZINC000216055803 564033782 /nfs/dbraw/zinc/03/37/82/564033782.db2.gz ZDBUUQWMMGNNME-KGENOOAVSA-N 0 0 328.412 3.616 40 30 EHEBRN Brc1cc(/C=N/n2cnnc2)oc1Sc1ccccc1 ZINC000209618018 564034052 /nfs/dbraw/zinc/03/40/52/564034052.db2.gz STHLNZLLBRWFFN-REZTVBANSA-N 0 0 349.213 3.667 40 30 EHEBRN N#CCc1ccc(NC(=S)NCCCOC2CCCCC2)cc1 ZINC000225617161 564048470 /nfs/dbraw/zinc/04/84/70/564048470.db2.gz LXOLEJOMLGSIAL-UHFFFAOYSA-N 0 0 331.485 3.778 40 30 EHEBRN C[C@@H]1c2ccc(F)cc2C[C@H](C)N1C(=O)CNc1ccc(C#N)cc1 ZINC000332514320 564052424 /nfs/dbraw/zinc/05/24/24/564052424.db2.gz WFPSVXPNJCJXNA-UONOGXRCSA-N 0 0 337.398 3.644 40 30 EHEBRN C=CCOc1ccc(C(=O)Nc2cccc(C(=O)OCC)c2)cc1 ZINC000032413828 564079339 /nfs/dbraw/zinc/07/93/39/564079339.db2.gz ZOEVODSDDJUWDW-UHFFFAOYSA-N 0 0 325.364 3.680 40 30 EHEBRN Cc1c(I)sc2ncc(C#N)c(Cl)c12 ZINC000089157639 564081874 /nfs/dbraw/zinc/08/18/74/564081874.db2.gz WJBGRENDLJDAAL-UHFFFAOYSA-N 0 0 334.569 3.734 40 30 EHEBRN C=CCOc1ccc(C(=O)Nc2cc(C(=O)OCC)ccc2C)cc1 ZINC000219640194 564084132 /nfs/dbraw/zinc/08/41/32/564084132.db2.gz OLIMNOLKEXGXHD-UHFFFAOYSA-N 0 0 339.391 3.989 40 30 EHEBRN C=CCNC(=O)c1ccccc1NC(=O)CCc1ccc(CC)cc1 ZINC000010434162 564127788 /nfs/dbraw/zinc/12/77/88/564127788.db2.gz ZSNKVZHRXJLMRY-UHFFFAOYSA-N 0 0 336.435 3.736 40 30 EHEBRN CCNC(=S)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000006570029 564129813 /nfs/dbraw/zinc/12/98/13/564129813.db2.gz HSFQWBWYHBHMID-RGVLZGJSSA-N 0 0 328.485 3.529 40 30 EHEBRN N#Cc1c(Cl)ncc(I)c1-c1ccccc1 ZINC000256054721 564134785 /nfs/dbraw/zinc/13/47/85/564134785.db2.gz XMIPSTIVORNANE-UHFFFAOYSA-N 0 0 340.551 3.878 40 30 EHEBRN CC(=O)Oc1c(Br)cc(Cc2ccccc2)cc1C#N ZINC000030714736 564157453 /nfs/dbraw/zinc/15/74/53/564157453.db2.gz KALWRENZRLOHMO-UHFFFAOYSA-N 0 0 330.181 3.837 40 30 EHEBRN COC(=O)[C@H]1C(=O)C=C(c2ccccc2)C[C@@H]1c1ccc(N(C)C)cc1 ZINC000068602767 215322233 /nfs/dbraw/zinc/32/22/33/215322233.db2.gz IXNYZELJOUJEOT-TZIWHRDSSA-N 0 0 349.430 3.682 40 30 EHEBRN CC(=NNC(=S)NCC(C)C)C(C)N=Nc1ccc(Cl)cc1 ZINC000104191926 219358349 /nfs/dbraw/zinc/35/83/49/219358349.db2.gz JKSMUELDJLNQHW-GDAWTGGTSA-N 0 0 339.896 3.624 40 30 EHEBRN C[C@H](NC(=S)Nc1ccc(C#N)c(OC(F)F)c1)C(C)(C)C ZINC000070450794 215691644 /nfs/dbraw/zinc/69/16/44/215691644.db2.gz RXVYXIXUNPPBSD-VIFPVBQESA-N 0 0 327.400 3.881 40 30 EHEBRN CSc1nc2n(n1)[C@@H](c1cccc(C)c1)C1C(=O)C[C@H](C)CC1=N2 ZINC000022608439 212309672 /nfs/dbraw/zinc/30/96/72/212309672.db2.gz QJRYOYFWPRZLOV-BZNIZROVSA-N 0 0 340.452 3.576 40 30 EHEBRN C#CCOC(=O)c1ccc(OCc2cccc(Br)c2)cc1 ZINC000216853442 241215465 /nfs/dbraw/zinc/21/54/65/241215465.db2.gz SFBZGXKCFSQJKI-UHFFFAOYSA-N 0 0 345.192 3.818 40 30 EHEBRN CC(C)N1c2ccccc2C(=NN=c2ccc3ccccc3[nH]2)C1=O ZINC000020986181 212194298 /nfs/dbraw/zinc/19/42/98/212194298.db2.gz DXCGZXSQCWXNTC-NMWGTECJSA-N 0 0 330.391 3.806 40 30 EHEBRN COc1ccc(CN/N=C/c2ccc(Br)cc2)cc1OC ZINC000020195950 212109481 /nfs/dbraw/zinc/10/94/81/212109481.db2.gz DQVPVXDFJYLPPL-VCHYOVAHSA-N 0 0 349.228 3.590 40 30 EHEBRN Cc1cc(C(F)(F)F)c2c(n[nH]c2NCc2cccc(C#N)c2)n1 ZINC000013565855 211580593 /nfs/dbraw/zinc/58/05/93/211580593.db2.gz FECVPRDQBQETJP-UHFFFAOYSA-N 0 0 331.301 3.769 40 30 EHEBRN CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C[C@@H]3O[C@@]32C1 ZINC000012655541 211430051 /nfs/dbraw/zinc/43/00/51/211430051.db2.gz RUQCGCWODJEVJZ-ADGKCSTMSA-N 0 0 346.467 3.661 40 30 EHEBRN C=CCNC(=O)CSc1nc2ccc(C(C)C)cc2cc1C#N ZINC000004848981 210299693 /nfs/dbraw/zinc/29/96/93/210299693.db2.gz WMJDLCQRCABUHP-UHFFFAOYSA-N 0 0 325.437 3.624 40 30 EHEBRN COCc1cc(C)nc(SCc2cccc([N+](=O)[O-])c2)c1C#N ZINC000006626214 257866397 /nfs/dbraw/zinc/86/63/97/257866397.db2.gz GYPMNAGDFGFAKD-UHFFFAOYSA-N 0 0 329.381 3.609 40 30 EHEBRN Oc1ccc(Cl)cc1/C=N\NC(F)(F)C(F)(F)C(F)(F)F ZINC000409046863 257881888 /nfs/dbraw/zinc/88/18/88/257881888.db2.gz LAYKRHVZYMGPSC-PVOVUMCXSA-N 0 0 338.610 3.760 40 30 EHEBRN N#CCn1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000408594498 257895321 /nfs/dbraw/zinc/89/53/21/257895321.db2.gz TUQUKQSOLNJSCI-RGVLZGJSSA-N 0 0 334.335 3.624 40 30 EHEBRN Cn1c(SCc2ccc(C#N)cc2Cl)nc2ccccc2c1=O ZINC000059484615 257849979 /nfs/dbraw/zinc/84/99/79/257849979.db2.gz HSQYMIFSLUTJKY-UHFFFAOYSA-N 0 0 341.823 3.751 40 30 EHEBRN C#CCOc1ccccc1CN(Cc1ccc(C)o1)C[C@H]1CCCO1 ZINC000013994812 518333490 /nfs/dbraw/zinc/33/34/90/518333490.db2.gz AJRBFEMUGMVYKK-LJQANCHMSA-N 0 0 339.435 3.781 40 30 EHEBRN C=CC[C@@]1([C@@H](C)Cc2ccc(OC)c(OC)c2)C[C@H](OC)C=CC1=O ZINC000001611539 519109854 /nfs/dbraw/zinc/10/98/54/519109854.db2.gz SXYIUOZJZREGSK-XPIZARPCSA-N 0 0 344.451 3.989 40 30 EHEBRN C=CCn1c(SCc2ccccc2)nnc1-c1cnn(CC)c1 ZINC000036631371 519243159 /nfs/dbraw/zinc/24/31/59/519243159.db2.gz YTFKEFJYVXQHPL-UHFFFAOYSA-N 0 0 325.441 3.640 40 30 EHEBRN CCc1ccc(C(=O)/C=C\Sc2nnnn2-c2ccccc2)cc1 ZINC000016161471 523877339 /nfs/dbraw/zinc/87/73/39/523877339.db2.gz AAVZHVCNRONRTQ-SEYXRHQNSA-N 0 0 336.420 3.713 40 30 EHEBRN CCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OC(C)=O)c(C#N)c1 ZINC000225846970 534958862 /nfs/dbraw/zinc/95/88/62/534958862.db2.gz KPIJJWBQZHAYIJ-LJQANCHMSA-N 0 0 346.427 3.798 40 30 EHEBRN CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)cc([N+](=O)[O-])c1[O-] ZINC000408658435 563522008 /nfs/dbraw/zinc/52/20/08/563522008.db2.gz JLHIUZGVWJCPLA-RUDMXATFSA-N 0 0 343.335 3.604 40 30 EHEBRN CC/N=C1\S/C(=C\c2ccc(Br)cc2)C(=O)N1CC ZINC000005552169 563538880 /nfs/dbraw/zinc/53/88/80/563538880.db2.gz PMCCTCLJRGNFMM-GNMDZJRLSA-N 0 0 339.258 3.761 40 30 EHEBRN CCCCCCCCCCNC(=O)C(=O)NCc1ccc(F)cc1 ZINC000408707196 563595334 /nfs/dbraw/zinc/59/53/34/563595334.db2.gz KTHRMEODSKGPGV-UHFFFAOYSA-N 0 0 336.451 3.699 40 30 EHEBRN Cc1cc(C(F)(F)F)nn1C(=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000095682126 563977612 /nfs/dbraw/zinc/97/76/12/563977612.db2.gz KCLISXDBTANDKT-UHFFFAOYSA-N 0 0 346.124 3.683 40 30 EHEBRN C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000224908796 563995174 /nfs/dbraw/zinc/99/51/74/563995174.db2.gz LODOIUUYLFUUKG-UHFFFAOYSA-N 0 0 335.400 3.606 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)s1 ZINC000225489366 563995878 /nfs/dbraw/zinc/99/58/78/563995878.db2.gz SCTTZXQUGZMLOL-GFCCVEGCSA-N 0 0 349.481 3.839 40 30 EHEBRN C=CCSc1nnc(NC(=O)c2cc3cccc(OC)c3o2)s1 ZINC000225702775 563995977 /nfs/dbraw/zinc/99/59/77/563995977.db2.gz WWAWIWHFWIQDCB-UHFFFAOYSA-N 0 0 347.421 3.823 40 30 EHEBRN COc1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000001246830 564001918 /nfs/dbraw/zinc/00/19/18/564001918.db2.gz CNOMBBJEFLXTLM-ZDLGFXPLSA-N 0 0 344.827 3.778 40 30 EHEBRN Cc1[nH]c2ccccc2c1/C=N/NC(=S)NCCc1ccccc1 ZINC000003279083 564004362 /nfs/dbraw/zinc/00/43/62/564004362.db2.gz RVUNQDLAOZXKFB-FYJGNVAPSA-N 0 0 336.464 3.517 40 30 EHEBRN Cc1cc(C)c(C#N)c(SCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)n1 ZINC000005643318 564006895 /nfs/dbraw/zinc/00/68/95/564006895.db2.gz FVSYDJLVACZPLK-WPGHFRTFSA-N 0 0 331.485 3.603 40 30 EHEBRN C=CCc1cc(C=O)cc(OC)c1OCc1ccc2c(c1)OCO2 ZINC000408858047 564007648 /nfs/dbraw/zinc/00/76/48/564007648.db2.gz IPXWXFKJTPNPHP-UHFFFAOYSA-N 0 0 326.348 3.544 40 30 EHEBRN C=CCNC(=S)Nc1ccc2[nH]c3nc4ccccc4nc3c2c1 ZINC000408976518 564008529 /nfs/dbraw/zinc/00/85/29/564008529.db2.gz RVGOKCUGVMZUML-UHFFFAOYSA-N 0 0 333.420 3.737 40 30 EHEBRN CCN1c2ccccc2/C(=N\c2cccc(Br)c2)C1=O ZINC000409188522 564010820 /nfs/dbraw/zinc/01/08/20/564010820.db2.gz CQJPIRRTVBEWOW-OBGWFSINSA-N 0 0 329.197 3.936 40 30 EHEBRN Cc1c(Cl)cccc1/N=C/c1cn(CC(N)=O)c2ccccc12 ZINC000409384462 564011929 /nfs/dbraw/zinc/01/19/29/564011929.db2.gz CIXVPSNTLHQJQD-ZVBGSRNCSA-N 0 0 325.799 3.839 40 30 EHEBRN COc1ccc(C(=O)C=CNc2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000100570555 564012920 /nfs/dbraw/zinc/01/29/20/564012920.db2.gz LGKGYAJUUGDQET-HJWRWDBZSA-N 0 0 342.351 3.729 40 30 EHEBRN C[C@H](NC(=S)N1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000013556502 564020240 /nfs/dbraw/zinc/02/02/40/564020240.db2.gz NPDAWMNNMAFEEV-INIZCTEOSA-N 0 0 325.481 3.856 40 30 EHEBRN C/C(=N\n1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)N(C)C ZINC000005753005 564032972 /nfs/dbraw/zinc/03/29/72/564032972.db2.gz DXFFUQJLJVKIOM-VXLYETTFSA-N 0 0 346.843 3.522 40 30 EHEBRN COc1ccc(/C=C2\C(=O)ON=C2c2cc(Cl)ccc2OC)cc1 ZINC000005744348 564032998 /nfs/dbraw/zinc/03/29/98/564032998.db2.gz CGQWLQNKPKDFJS-DHDCSXOGSA-N 0 0 343.766 3.702 40 30 EHEBRN Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2C#N)cc1 ZINC000218587288 564061817 /nfs/dbraw/zinc/06/18/17/564061817.db2.gz FUGFTAPNQSHIAB-IKGGRYGDSA-N 0 0 331.824 3.728 40 30 EHEBRN C=CCN1C(=O)CCC[C@]12CCCN(C(=O)c1cccc(Cl)c1)C2 ZINC000096077090 564066516 /nfs/dbraw/zinc/06/65/16/564066516.db2.gz QEOVAALVTNYMMA-LJQANCHMSA-N 0 0 346.858 3.513 40 30 EHEBRN C=C(c1ccccc1)[C@@H]1ON(C)CCc2cc(OC)c(OC)cc21 ZINC000006005383 564070652 /nfs/dbraw/zinc/07/06/52/564070652.db2.gz XIPDQXDTQNIVFS-FQEVSTJZSA-N 0 0 325.408 3.878 40 30 EHEBRN C=CCOc1ccc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000007781073 564070905 /nfs/dbraw/zinc/07/09/05/564070905.db2.gz CSWJJORYVDYNLU-UHFFFAOYSA-N 0 0 349.390 3.540 40 30 EHEBRN C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)C=CC(=O)[C@]3(C)[C@H]1C2 ZINC000252515527 564120254 /nfs/dbraw/zinc/12/02/54/564120254.db2.gz LDVSKUDVSXXLAQ-NIEQTQEKSA-N 0 0 344.451 3.953 40 30 biogenic,in-vitro EHEBRN N#Cc1ccc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)cc1 ZINC000409203404 564133746 /nfs/dbraw/zinc/13/37/46/564133746.db2.gz XUQZQHUFDTUDBR-SFQUDFHCSA-N 0 0 334.400 3.837 40 30 EHEBRN N#Cc1nn(-c2ccccc2Cl)nc1N1CC[C@@H](c2ccccc2)C1 ZINC000256046028 564134701 /nfs/dbraw/zinc/13/47/01/564134701.db2.gz CGQUIKWCPDWJMV-OAHLLOKOSA-N 0 0 349.825 3.786 40 30 EHEBRN Cc1ccc(-n2nc(C#N)c(N3CC[C@H](c4ccccc4)C3)n2)cc1C ZINC000256047554 564134723 /nfs/dbraw/zinc/13/47/23/564134723.db2.gz NCCUBFKQLZRGAO-SFHVURJKSA-N 0 0 343.434 3.750 40 30 EHEBRN C[C@@H]1C[C@H](C)CN(c2c(N)cc(C#N)n2Cc2ccc(F)cc2)C1 ZINC000225868154 564150852 /nfs/dbraw/zinc/15/08/52/564150852.db2.gz LUSREIZEPXEFJT-OKILXGFUSA-N 0 0 326.419 3.612 40 30 EHEBRN CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(O)[C@H]3CC[C@@]12C ZINC000263611576 1138332749 /nfs/dbraw/zinc/33/27/49/1138332749.db2.gz XGQPQFRJMKCXBL-DJERSHOGSA-N 0 0 346.467 3.565 40 30 EHEBRN O=C1ON=C(c2ccccc2F)/C1=C/c1ccc(Br)cc1 ZINC000101662786 219154207 /nfs/dbraw/zinc/15/42/07/219154207.db2.gz ZMNUHINPGGRCQZ-LCYFTJDESA-N 0 0 346.155 3.933 40 30 EHEBRN O=[N+]([O-])c1cccc(/C=N/OCc2ccc(Br)cc2)c1 ZINC000003301153 210001672 /nfs/dbraw/zinc/00/16/72/210001672.db2.gz ILIWSSBGVSYFAS-CXUHLZMHSA-N 0 0 335.157 3.908 40 30 EHEBRN CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1ccc(Br)cc1 ZINC000068602805 215321418 /nfs/dbraw/zinc/32/14/18/215321418.db2.gz YQSRYDVEVZCEGJ-UHFFFAOYSA-N 0 0 348.240 3.862 40 30 EHEBRN COc1cc(C#N)ccc1OCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000039954307 213245220 /nfs/dbraw/zinc/24/52/20/213245220.db2.gz FCBPLQSEUAFYDM-UHFFFAOYSA-N 0 0 346.427 3.593 40 30 EHEBRN CC(C)(C)OC(=O)N1CC[C@@H](COc2ccc(C#N)c(Cl)c2)C1 ZINC000039954303 213244773 /nfs/dbraw/zinc/24/47/73/213244773.db2.gz QQXOEZNUGAWLRR-GFCCVEGCSA-N 0 0 336.819 3.847 40 30 EHEBRN C=C1C(=O)O[C@H]2C[C@H]1CC[C@@]1(C)O[C@H]1CC/C(C)=C\CC[C@@]2(C)O ZINC000038192957 213205499 /nfs/dbraw/zinc/20/54/99/213205499.db2.gz YKKJETNBRNDYKN-WYBCCIHISA-N 0 0 334.456 3.683 40 30 EHEBRN CC[C@H](C)NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N ZINC000000413331 209576481 /nfs/dbraw/zinc/57/64/81/209576481.db2.gz DJRFLRNWMUYLLY-ZDUSSCGKSA-N 0 0 327.453 3.730 40 30 EHEBRN C#CCOC(=O)c1ccc(OCc2ccccc2F)c(OCC)c1 ZINC000216821603 241212858 /nfs/dbraw/zinc/21/28/58/241212858.db2.gz ZWEMCIIKXKWPJZ-UHFFFAOYSA-N 0 0 328.339 3.593 40 30 EHEBRN COc1ccc(Cn2c(C#N)cc(N)c2Cc2cccc(C)c2)cc1 ZINC000225856871 242065440 /nfs/dbraw/zinc/06/54/40/242065440.db2.gz RYOJQWJKMHBFJA-UHFFFAOYSA-N 0 0 331.419 3.898 40 30 EHEBRN N#C[C@@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1cccc2ccccc21 ZINC000020638016 212158250 /nfs/dbraw/zinc/15/82/50/212158250.db2.gz DAXIGOQJDYOASA-LPHOPBHVSA-N 0 0 338.370 3.871 40 30 EHEBRN N#C[C@H]1[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]2[C@H]1C#N ZINC000008380951 210944975 /nfs/dbraw/zinc/94/49/75/210944975.db2.gz ZXXQHIZONCRTHR-MTQWCTHYSA-N 0 0 325.371 3.559 40 30 EHEBRN COc1ccccc1/C=C1\S/C(=N\c2ccccc2OC)NC1=O ZINC000005376396 210451360 /nfs/dbraw/zinc/45/13/60/210451360.db2.gz YGWOHSSSTIVQEK-WJDWOHSUSA-N 0 0 340.404 3.595 40 30 EHEBRN CC(=O)O[C@H]1CC[C@@]2(C=O)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000004887461 210311821 /nfs/dbraw/zinc/31/18/21/210311821.db2.gz OJRZFJGEWPAMMR-JPRZGNOKSA-N 0 0 344.451 3.629 40 30 in-vitro EHEBRN N#Cc1ccc(Cl)cc1NC(=O)Cn1cc(C=O)c2ccccc21 ZINC000014137357 262503507 /nfs/dbraw/zinc/50/35/07/262503507.db2.gz XADYAWXBWRDEOI-UHFFFAOYSA-N 0 0 337.766 3.618 40 30 EHEBRN C=CCn1cc(CN(Cc2ccc(F)cc2)C[C@H]2CCCO2)c(C)n1 ZINC000013993918 519277514 /nfs/dbraw/zinc/27/75/14/519277514.db2.gz SQBRJCNEGDIPGW-HXUWFJFHSA-N 0 0 343.446 3.698 40 30 EHEBRN CCCOc1cccc(/C=N/NCc2ccc(OC)c(OC)c2)c1 ZINC000020196373 520438497 /nfs/dbraw/zinc/43/84/97/520438497.db2.gz IFUFBVWGRWOIRW-DEDYPNTBSA-N 0 0 328.412 3.616 40 30 EHEBRN COc1ccccc1N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000000032427 524563897 /nfs/dbraw/zinc/56/38/97/524563897.db2.gz WZKWPPJSJDNMPI-UHFFFAOYSA-N 0 0 327.815 3.547 40 30 EHEBRN CCc1ccc([C@H]2[C@H](C#N)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000218639071 536195038 /nfs/dbraw/zinc/19/50/38/536195038.db2.gz BZWCPGPMNBMHAT-BZSNNMDCSA-N 0 0 345.851 3.982 40 30 EHEBRN CC1=CC(=O)[C@H](C(O)(C(F)(F)Cl)C(F)(F)Cl)C(C)(C)C1 ZINC000001614868 563396826 /nfs/dbraw/zinc/39/68/26/563396826.db2.gz DFBQMRHPFPBRKY-QMMMGPOBSA-N 0 0 337.140 3.942 40 30 EHEBRN NC(=S)N/N=C/c1c(OCc2ccccc2)ccc2ccccc21 ZINC000005236907 563524003 /nfs/dbraw/zinc/52/40/03/563524003.db2.gz RRHJDZXUHJSNFL-CIAFOILYSA-N 0 0 335.432 3.586 40 30 EHEBRN C=CC[C@@]1([C@H](C)Cc2ccc(OC)c(OC)c2)C[C@H](OC)C=CC1=O ZINC000006494126 563570323 /nfs/dbraw/zinc/57/03/23/563570323.db2.gz SXYIUOZJZREGSK-CEQIKUNHSA-N 0 0 344.451 3.989 40 30 EHEBRN C=CCc1cc(C(=O)NCCSCc2ccco2)ccc1OC ZINC000408702493 563588617 /nfs/dbraw/zinc/58/86/17/563588617.db2.gz GYLXJVFAQYRNBP-UHFFFAOYSA-N 0 0 331.437 3.680 40 30 EHEBRN O=[N+]([O-])c1cccc(Cl)c1/C=N/NC(=S)Cc1ccccc1 ZINC000016478646 563812471 /nfs/dbraw/zinc/81/24/71/563812471.db2.gz MUJBDBWRJACZPJ-LICLKQGHSA-N 0 0 333.800 3.742 40 30 EHEBRN N#C[C@H]1[C@H](C#N)[C@H]2c3ccccc3C=CN2[C@@H]1C(=O)c1ccccc1 ZINC000031794113 563912989 /nfs/dbraw/zinc/91/29/89/563912989.db2.gz ZXXQHIZONCRTHR-HAGHYFMRSA-N 0 0 325.371 3.559 40 30 EHEBRN CC(=O)O[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]12 ZINC000257345837 563970864 /nfs/dbraw/zinc/97/08/64/563970864.db2.gz KOSODIXFXCTYHT-HLFHVMKESA-N 0 0 344.451 3.629 40 30 EHEBRN CCCCCCCNC(=S)N/N=C\c1cc(Cl)ccc1O ZINC000104377980 563983591 /nfs/dbraw/zinc/98/35/91/563983591.db2.gz DQQVRBCHSBJXOG-WQRHYEAKSA-N 0 0 327.881 3.814 40 30 EHEBRN CC(C)c1ccccc1NC(=O)COC(=O)c1ccc(C#N)cc1F ZINC000006347828 563992349 /nfs/dbraw/zinc/99/23/49/563992349.db2.gz XJGWOYSDSVEOMF-UHFFFAOYSA-N 0 0 340.354 3.616 40 30 EHEBRN C/C(=N\NC(=S)Nc1ccccc1C(F)(F)F)c1ccccn1 ZINC000006299700 563998086 /nfs/dbraw/zinc/99/80/86/563998086.db2.gz UVUVLWMFQRSEIT-UFFVCSGVSA-N 0 0 338.358 3.811 40 30 EHEBRN COc1cccc(CN=Nc2cc(-c3ccccc3)nc(C)n2)c1O ZINC000004595547 564005225 /nfs/dbraw/zinc/00/52/25/564005225.db2.gz PQYXLYKDWPICLI-UDWIEESQSA-N 0 0 334.379 3.612 40 30 EHEBRN CC(C)CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1 ZINC000006015087 564006293 /nfs/dbraw/zinc/00/62/93/564006293.db2.gz QMLSLGHJGNXMSJ-GOSISDBHSA-N 0 0 335.403 3.921 40 30 EHEBRN CC/N=C1/S/C(=C/c2ccc(N3CCCCCC3)o2)C(=O)N1CC ZINC000408930675 564008072 /nfs/dbraw/zinc/00/80/72/564008072.db2.gz ANGAIHYVFLIZDX-AXXMRAISSA-N 0 0 347.484 3.972 40 30 EHEBRN C=CCN1C(=O)S/C(=C/c2ccc(N(CC)CC)cc2OC)C1=O ZINC000409100226 564009917 /nfs/dbraw/zinc/00/99/17/564009917.db2.gz UPYDSFDWPBDCSW-LFIBNONCSA-N 0 0 346.452 3.764 40 30 EHEBRN CCNC(=S)N=NCc1ccccc1OCc1ccccc1F ZINC000001968941 564013214 /nfs/dbraw/zinc/01/32/14/564013214.db2.gz ZWPDOAOYAJINQP-RGVLZGJSSA-N 0 0 331.416 3.634 40 30 EHEBRN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1C ZINC000013475814 564020034 /nfs/dbraw/zinc/02/00/34/564020034.db2.gz KZTJYSRNWXYPCE-JXMROGBWSA-N 0 0 342.351 3.613 40 30 EHEBRN CC[C@@H]1OC(=O)[C@H](C)C(=O)C(C)=C[C@H](C)C[C@H](C)C(=O)C=C[C@H]1C ZINC000604378752 564034621 /nfs/dbraw/zinc/03/46/21/564034621.db2.gz IJMBDRQWRQKUCH-NOZLPQDMSA-N 0 0 334.456 3.897 40 30 biogenic,in-vitro EHEBRN C#CCOC(=O)c1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000058818787 564065432 /nfs/dbraw/zinc/06/54/32/564065432.db2.gz DXSHHICGQZTNNJ-UHFFFAOYSA-N 0 0 330.767 3.718 40 30 EHEBRN CC(=O)N(c1ccccc1)C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000001686904 564065545 /nfs/dbraw/zinc/06/55/45/564065545.db2.gz JKGOZYRVAYGIJE-UHFFFAOYSA-N 0 0 325.751 3.569 40 30 EHEBRN C=CCN1C(=O)CCC[C@]12CCCN(C(=O)Nc1ccccc1C)C2 ZINC000096229940 564066575 /nfs/dbraw/zinc/06/65/75/564066575.db2.gz FHYCPPORDKQYDV-HXUWFJFHSA-N 0 0 341.455 3.560 40 30 EHEBRN Cc1ccc(SCC#CCOC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005546148 564070607 /nfs/dbraw/zinc/07/06/07/564070607.db2.gz OCBRFOMHIPOQHZ-UHFFFAOYSA-N 0 0 341.388 3.856 40 30 EHEBRN C=C(C)CN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000005746283 564070626 /nfs/dbraw/zinc/07/06/26/564070626.db2.gz FIYDEEFZGXOAQE-UHFFFAOYSA-N 0 0 331.437 3.775 40 30 EHEBRN CCCCSc1nc(N)c(C#N)c(COc2cccc(C)c2)n1 ZINC000223684435 564081746 /nfs/dbraw/zinc/08/17/46/564081746.db2.gz CSRBGELNAGEYJT-UHFFFAOYSA-N 0 0 328.441 3.710 40 30 EHEBRN N#Cc1ccc(-c2n(O)c3c([n+]2[O-])-c2cccc4cccc-3c24)cc1 ZINC000006528429 564091427 /nfs/dbraw/zinc/09/14/27/564091427.db2.gz VFRJUVKRHDKJAQ-UHFFFAOYSA-N 0 0 325.327 3.698 40 30 EHEBRN CCOc1cc(/C=N\O)ccc1OCC(=O)Nc1ccc(C)cc1C ZINC000006960838 564126389 /nfs/dbraw/zinc/12/63/89/564126389.db2.gz JXRMVJFDPMMFBY-JAIQZWGSSA-N 0 0 342.395 3.528 40 30 EHEBRN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/N=C/c1ccccc1O ZINC000001093683 564129747 /nfs/dbraw/zinc/12/97/47/564129747.db2.gz AFSWSGMUJAZQHT-YBFXNURJSA-N 0 0 336.351 3.854 40 30 EHEBRN C[C@@H]1C[C@H](C)CN(c2c(N)cc(C#N)n2Cc2ccccc2F)C1 ZINC000225868047 564150841 /nfs/dbraw/zinc/15/08/41/564150841.db2.gz SFIMLLYJMGXKNR-OKILXGFUSA-N 0 0 326.419 3.612 40 30 EHEBRN Cc1cc(Br)c(-c2ccc(C=Nn3cnnc3)o2)cc1C ZINC000254417496 568418103 /nfs/dbraw/zinc/41/81/03/568418103.db2.gz ULGUPTDCYKHGBG-UHFFFAOYSA-N 0 0 345.200 3.800 40 30 EHEBRN Cc1cc(F)ccc1NC(=O)CSc1nc2c(cc1C#N)CCC2 ZINC000261526969 568419487 /nfs/dbraw/zinc/41/94/87/568419487.db2.gz SFMKOFGCCMEZLF-UHFFFAOYSA-N 0 0 341.411 3.620 40 30 EHEBRN Cc1ccc(S(=O)(=O)/N=C2\SC(=S)N2c2ccccc2)cc1 ZINC000004235224 210148286 /nfs/dbraw/zinc/14/82/86/210148286.db2.gz WTHOTOWPBSDIIE-PEZBUJJGSA-N 0 0 348.474 3.578 40 30 EHEBRN CC1=C2CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CCC1=O ZINC000004212988 210145038 /nfs/dbraw/zinc/14/50/38/210145038.db2.gz WGWIOQHCYQKREK-HWNNUFKUSA-N 0 0 332.484 3.630 40 30 in-vitro EHEBRN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CC(O)=C(C=O)C[C@]34C)[C@@H]1CCC(=O)O2 ZINC000104356396 219377806 /nfs/dbraw/zinc/37/78/06/219377806.db2.gz IAEXPESVUCYINT-BHANVOHTSA-N 0 0 332.440 3.946 40 30 EHEBRN N#Cc1ccc(NCc2cccc(Br)c2)c([N+](=O)[O-])c1 ZINC000039956396 213246299 /nfs/dbraw/zinc/24/62/99/213246299.db2.gz AKGZNTWXLYDPTI-UHFFFAOYSA-N 0 0 332.157 3.841 40 30 EHEBRN CCOc1cc2c(cc1O)/C(=N/O)C[C@@H]1[C@H]3CC[C@H](O)[C@]3(C)CC[C@H]21 ZINC000038206840 213206073 /nfs/dbraw/zinc/20/60/73/213206073.db2.gz SMKGGPJGMFBQDP-ZZGOIDGASA-N 0 0 345.439 3.644 40 30 EHEBRN CCOC(=O)[C@@H](C#N)[C@@H](c1ccc(F)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000000209707 209486256 /nfs/dbraw/zinc/48/62/56/209486256.db2.gz RXKQWQWAWGCAQF-PVAVHDDUSA-N 0 0 333.403 3.817 40 30 EHEBRN Cc1c(C(=O)NO)oc2c1C1(CC(C)(C)C2)SCCCS1 ZINC000217595204 241263055 /nfs/dbraw/zinc/26/30/55/241263055.db2.gz RALNMVGGQGJSBD-UHFFFAOYSA-N 0 0 327.471 3.702 40 30 EHEBRN C#CCOC(=O)c1cc(Cl)c(OCc2cccnc2)c(Cl)c1 ZINC000216847241 241215100 /nfs/dbraw/zinc/21/51/00/241215100.db2.gz VOHZSHAOJPNEFV-UHFFFAOYSA-N 0 0 336.174 3.757 40 30 EHEBRN Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2C#N)cc1 ZINC000218587229 241333431 /nfs/dbraw/zinc/33/34/31/241333431.db2.gz FUGFTAPNQSHIAB-ZACQAIPSSA-N 0 0 331.824 3.728 40 30 EHEBRN CCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C#N ZINC000225808697 242046873 /nfs/dbraw/zinc/04/68/73/242046873.db2.gz DXMPAKZSDHDXEO-LIRRHRJNSA-N 0 0 330.428 3.881 40 30 EHEBRN CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)=O)c(C#N)c1 ZINC000225841435 242058412 /nfs/dbraw/zinc/05/84/12/242058412.db2.gz CZPUQQAZALXCNI-IBGZPJMESA-N 0 0 346.427 3.653 40 30 EHEBRN COc1ccc(Cn2c(C#N)cc(N)c2Cc2ccc(C)cc2)cc1 ZINC000225856850 242064540 /nfs/dbraw/zinc/06/45/40/242064540.db2.gz TTXPKQMXCFJJGE-UHFFFAOYSA-N 0 0 331.419 3.898 40 30 EHEBRN Cc1ccc(/N=C2\SCCCN2C(=O)c2cnccn2)cc1Cl ZINC000020859154 212177251 /nfs/dbraw/zinc/17/72/51/212177251.db2.gz ZTUPARJJDFZDEM-SILNSSARSA-N 0 0 346.843 3.705 40 30 EHEBRN C/C(=N/NC(=S)N1CCC(c2ccccc2)CC1)c1ccccn1 ZINC000017107292 211955191 /nfs/dbraw/zinc/95/51/91/211955191.db2.gz IKHIEEHKBBAQDR-QNGOZBTKSA-N 0 0 338.480 3.560 40 30 EHEBRN C[C@H](C#N)CN1N=C(c2ccccc2)Cn2c3ccsc3cc2C1=O ZINC000013564665 211579890 /nfs/dbraw/zinc/57/98/90/211579890.db2.gz KHTCZWSCGHMELV-CYBMUJFWSA-N 0 0 348.431 3.723 40 30 EHEBRN N#CC(=NNc1ccc(Br)cc1)c1nc2ccccc2[nH]1 ZINC000005588822 210495981 /nfs/dbraw/zinc/49/59/81/210495981.db2.gz CSIBHELLCSAGAH-STZFKDTASA-N 0 0 340.184 3.665 40 30 EHEBRN C=CCc1cc(C(=O)NCc2ccc(-n3ccnc3)cc2)ccc1OC ZINC000020453603 519127301 /nfs/dbraw/zinc/12/73/01/519127301.db2.gz POLBRPLRZGRIRK-UHFFFAOYSA-N 0 0 347.418 3.539 40 30 EHEBRN COc1ccc(C(=O)O/N=C(/c2ccccc2)c2ccccn2)cc1 ZINC000095115827 523767918 /nfs/dbraw/zinc/76/79/18/523767918.db2.gz ZRURAXIAPBFZTG-QOCHGBHMSA-N 0 0 332.359 3.700 40 30 EHEBRN Cc1ccccc1C(=N)NOC(=O)C(c1ccccc1)c1ccccc1 ZINC000004905760 525037354 /nfs/dbraw/zinc/03/73/54/525037354.db2.gz KFXXMXWGRQDOIY-UHFFFAOYSA-N 0 0 344.414 3.991 40 30 EHEBRN COc1ccc(SCC(=O)Nc2ccc(CC#N)cc2)cc1OC ZINC000020040227 525100795 /nfs/dbraw/zinc/10/07/95/525100795.db2.gz XWFHEDKEPYFESA-UHFFFAOYSA-N 0 0 342.420 3.501 40 30 EHEBRN O=[N+]([O-])c1cccc(CO/N=C/C=C/c2ccccc2[N+](=O)[O-])c1 ZINC000408595948 563494407 /nfs/dbraw/zinc/49/44/07/563494407.db2.gz YBBIYKJNGCALIQ-CUQLSPFUSA-N 0 0 327.296 3.719 40 30 EHEBRN CN(C)c1ccc(/C=N/NC(=S)Nc2cccc3cccnc32)cc1 ZINC000005422986 563532228 /nfs/dbraw/zinc/53/22/28/563532228.db2.gz GCWROOADOKADGO-FYJGNVAPSA-N 0 0 349.463 3.621 40 30 EHEBRN CCO[C@@H]1Oc2ccc(Cl)cc2C(=O)C1=CNc1nccs1 ZINC000006207039 563561214 /nfs/dbraw/zinc/56/12/14/563561214.db2.gz FBCNCNVJJVGOHP-KOTGUFOOSA-N 0 0 336.800 3.730 40 30 EHEBRN CCCCCCCCCNC(=O)C(=O)NC[C@H](C)c1ccccc1 ZINC000408707875 563594612 /nfs/dbraw/zinc/59/46/12/563594612.db2.gz SEAZUJNPVQVXHN-KRWDZBQOSA-N 0 0 332.488 3.773 40 30 EHEBRN CCCCCCCCCNC(=O)C(=O)Nc1ccc(F)cc1F ZINC000408707044 563595061 /nfs/dbraw/zinc/59/50/61/563595061.db2.gz ITFLLWCHWPGSSG-UHFFFAOYSA-N 0 0 326.387 3.770 40 30 EHEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(O)cc3O)S2)c(C)c1 ZINC000408720792 563618580 /nfs/dbraw/zinc/61/85/80/563618580.db2.gz DHIUSIDAOKKMDL-PXNMLYILSA-N 0 0 340.404 3.606 40 30 EHEBRN CCOC(=O)c1ccccc1NC1=CC(=O)C[C@@H](c2ccco2)C1 ZINC000408751541 563641114 /nfs/dbraw/zinc/64/11/14/563641114.db2.gz VWOUKLLNXDRTNO-ZDUSSCGKSA-N 0 0 325.364 3.899 40 30 EHEBRN Fc1cccc(Cl)c1/C=N\N1CCN(Cc2ccccc2)CC1 ZINC000013898534 563728818 /nfs/dbraw/zinc/72/88/18/563728818.db2.gz XKYIQJRBGVWJGF-BKUYFWCQSA-N 0 0 331.822 3.631 40 30 EHEBRN Oc1ccc(Cl)cc1/C=N\NC(=S)N[C@H]1CCc2ccccc21 ZINC000016919373 563825767 /nfs/dbraw/zinc/82/57/67/563825767.db2.gz JQAXVONNLCANIP-HNIBHBHRSA-N 0 0 345.855 3.531 40 30 EHEBRN CC(=NNC(=S)NCC(C)C)C(C)N=Nc1ccc(Cl)cc1 ZINC000017063097 563830671 /nfs/dbraw/zinc/83/06/71/563830671.db2.gz JKSMUELDJLNQHW-MZTKBTAGSA-N 0 0 339.896 3.624 40 30 EHEBRN CCCCCCCCc1ccc(OCCOCCOCCO)cc1 ZINC000103658044 563983438 /nfs/dbraw/zinc/98/34/38/563983438.db2.gz OTYVJPAXQTWKAN-UHFFFAOYSA-N 0 0 338.488 3.994 40 30 EHEBRN C=CCc1cc(C(=O)NCCOc2ccccc2Cl)ccc1OC ZINC000224125913 563992551 /nfs/dbraw/zinc/99/25/51/563992551.db2.gz UJQRNWATFINDJV-UHFFFAOYSA-N 0 0 345.826 3.886 40 30 EHEBRN C=CCNC(=O)c1ccc(OCC)c(COc2ccc(OC)cc2)c1 ZINC000224595607 563994435 /nfs/dbraw/zinc/99/44/35/563994435.db2.gz MVGVEYXRWOHWQP-UHFFFAOYSA-N 0 0 341.407 3.589 40 30 EHEBRN C=CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224712505 563994711 /nfs/dbraw/zinc/99/47/11/563994711.db2.gz OYCBYBZYILRFLD-UHFFFAOYSA-N 0 0 343.782 4.000 40 30 EHEBRN C=CCSc1ccccc1C(=O)NC[C@@H]1COc2ccccc2O1 ZINC000225272360 563995769 /nfs/dbraw/zinc/99/57/69/563995769.db2.gz PERODORCGQZLBI-CQSZACIVSA-N 0 0 341.432 3.535 40 30 EHEBRN COc1ccccc1/C=N/N1CCN(c2ccc(Cl)cc2)CC1 ZINC000000298508 563996744 /nfs/dbraw/zinc/99/67/44/563996744.db2.gz XXBHONYAYJPHLI-XSFVSMFZSA-N 0 0 329.831 3.505 40 30 EHEBRN CCOc1ccc(C=NN2C(=S)N=NC2CC)c2ccccc12 ZINC000408864200 564007714 /nfs/dbraw/zinc/00/77/14/564007714.db2.gz XIFDLWCMRNNJHW-WOJGMQOQSA-N 0 0 326.425 3.563 40 30 EHEBRN CCN(CC)c1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)o1 ZINC000409038062 564009070 /nfs/dbraw/zinc/00/90/70/564009070.db2.gz UNIWJXCFNZFGPF-SCDVKCJHSA-N 0 0 349.250 3.840 40 30 EHEBRN Cc1cc(CN=Nc2ncccc2[N+](=O)[O-])c(C)n1Cc1ccccc1 ZINC000409063819 564009334 /nfs/dbraw/zinc/00/93/34/564009334.db2.gz DVONTBHDZRMSHB-CIAFOILYSA-N 0 0 349.394 3.902 40 30 EHEBRN CCOc1cc2c(cc1/C=N/c1ccc([N+](=O)[O-])cc1C)OCO2 ZINC000409100318 564009923 /nfs/dbraw/zinc/00/99/23/564009923.db2.gz UJMMCWKKUVEXJM-GIJQJNRQSA-N 0 0 328.324 3.781 40 30 EHEBRN C#CCOc1c(Cl)cc(CNc2ccc(OC)cc2)cc1OC ZINC000409111971 564010057 /nfs/dbraw/zinc/01/00/57/564010057.db2.gz BBTRPXFMKOANRK-UHFFFAOYSA-N 0 0 331.799 3.981 40 30 EHEBRN C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)C1=O ZINC000409139029 564010473 /nfs/dbraw/zinc/01/04/73/564010473.db2.gz LMIZPZUKDKFKEG-CPNJWEJPSA-N 0 0 348.402 3.653 40 30 EHEBRN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccccn1 ZINC000409243764 564011355 /nfs/dbraw/zinc/01/13/55/564011355.db2.gz YFIDDAQHNUZMMT-UHFFFAOYSA-N 0 0 328.371 3.952 40 30 EHEBRN Cc1ccc(Cl)cc1/N=C/c1cn(CC(N)=O)c2ccccc12 ZINC000409384825 564011925 /nfs/dbraw/zinc/01/19/25/564011925.db2.gz DWARLFUNSZMFGC-ZVBGSRNCSA-N 0 0 325.799 3.839 40 30 EHEBRN C/C(=N/N1CCN(Cc2ccccc2Cl)CC1)c1ccccc1O ZINC000006492645 564025204 /nfs/dbraw/zinc/02/52/04/564025204.db2.gz USDAOGBMSFWGHD-QNGOZBTKSA-N 0 0 343.858 3.587 40 30 EHEBRN CCOc1ccc(CNC(=S)Nc2ccc(CC#N)cc2)cc1 ZINC000225430181 564046637 /nfs/dbraw/zinc/04/66/37/564046637.db2.gz UJFFPEUJALDGIS-UHFFFAOYSA-N 0 0 325.437 3.638 40 30 EHEBRN C=C(C)COc1cccc(C(=O)Nc2ccccc2C(=O)OC)c1 ZINC000008570616 564072513 /nfs/dbraw/zinc/07/25/13/564072513.db2.gz VOONAISFRQPBCT-UHFFFAOYSA-N 0 0 325.364 3.680 40 30 EHEBRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]5O[C@@]5(O)[C@@]4(C)CC[C@@H]32)C1 ZINC000012654126 564084567 /nfs/dbraw/zinc/08/45/67/564084567.db2.gz VDWPXFJLZWNCAR-XXHSLLPRSA-N 0 0 346.467 3.578 40 30 EHEBRN O=S(=O)(Nc1ccccc1)c1ccccc1C#Cc1ccccc1 ZINC000001707718 564099108 /nfs/dbraw/zinc/09/91/08/564099108.db2.gz FVTQIRKCWGXXGI-UHFFFAOYSA-N 0 0 333.412 3.887 40 30 EHEBRN CC(=NN=c1[nH]c2ccccc2s1)c1ccc2c(c1)OCCO2 ZINC000035771571 564129922 /nfs/dbraw/zinc/12/99/22/564129922.db2.gz DOUUNDZGNTUXCB-ODLFYWEKSA-N 0 0 325.393 3.904 40 30 EHEBRN CCOc1cc(C=C2CCC(C(=O)C(F)(F)F)=C2O)ccc1O ZINC000109760090 564129993 /nfs/dbraw/zinc/12/99/93/564129993.db2.gz RPSVGROUQPSTEP-XGQUATGFSA-N 0 0 328.286 3.912 40 30 EHEBRN CCOc1ccc2nc(NC(=O)c3ccc(C#N)cc3F)sc2c1 ZINC000009141195 564134208 /nfs/dbraw/zinc/13/42/08/564134208.db2.gz WMKNNWZCSPWRHX-UHFFFAOYSA-N 0 0 341.367 3.958 40 30 EHEBRN N#C[C@H]1[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000225668235 564150195 /nfs/dbraw/zinc/15/01/95/564150195.db2.gz BXSOYSQGXKOYBI-ARFHVFGLSA-N 0 0 335.787 3.559 40 30 EHEBRN N#Cc1c(NC(=O)CSc2ccccc2N)sc2c1CCCC2 ZINC000058951200 564160131 /nfs/dbraw/zinc/16/01/31/564160131.db2.gz BVJORRMQIFSJSN-UHFFFAOYSA-N 0 0 343.477 3.812 40 30 EHEBRN CCOC(=O)c1ccc(/N=C2/SCC(=O)N2C2CCCCC2)cc1 ZINC000100298426 219095754 /nfs/dbraw/zinc/09/57/54/219095754.db2.gz FEKGEVNORPQQEQ-VHEBQXMUSA-N 0 0 346.452 3.759 40 30 EHEBRN CCCCCCCCCCCC(=O)NC[C@H](O)C[N+]([O-])(CC)CC ZINC000102999993 219247578 /nfs/dbraw/zinc/24/75/78/219247578.db2.gz OVWIBDGEEJITLV-SFHVURJKSA-N 0 0 344.540 3.739 40 30 EHEBRN C=C[C@H]1ON(Cc2ccccc2)CCc2cc(OC)c(OC)cc21 ZINC000001856543 209800609 /nfs/dbraw/zinc/80/06/09/209800609.db2.gz OZWWEIDSIBLVQN-GOSISDBHSA-N 0 0 325.408 3.921 40 30 EHEBRN C=CCSc1nnc(NC(=O)c2ccc(OC)c(Cl)c2)s1 ZINC000040114466 213268712 /nfs/dbraw/zinc/26/87/12/213268712.db2.gz AVCQHIHOPNJHSF-UHFFFAOYSA-N 0 0 341.845 3.731 40 30 EHEBRN Cc1cc(F)cc(-n2nc(-c3ccc(F)cc3F)c(C#N)c2N)c1 ZINC000039955424 213245634 /nfs/dbraw/zinc/24/56/34/213245634.db2.gz WEAKPVZVMXRTPW-UHFFFAOYSA-N 0 0 328.297 3.719 40 30 EHEBRN CO[C@]1(C(=O)Nc2ccc(OC(C)C)cc2C#N)CCC[C@@H](C)C1 ZINC000225809222 242046199 /nfs/dbraw/zinc/04/61/99/242046199.db2.gz YZGQQCHUSSXQDC-AUUYWEPGSA-N 0 0 330.428 3.879 40 30 EHEBRN Cc1ccc(C)c(COc2nn(Cc3ccccc3)c(N)c2C#N)c1 ZINC000225838955 242058624 /nfs/dbraw/zinc/05/86/24/242058624.db2.gz UPCFHSCACNDCJU-UHFFFAOYSA-N 0 0 332.407 3.581 40 30 EHEBRN CCOc1cc(-c2cc(-c3ccc(N)cc3)nc(N)c2C#N)ccc1O ZINC000019848456 212075183 /nfs/dbraw/zinc/07/51/83/212075183.db2.gz IMNCAAKVONXCMJ-UHFFFAOYSA-N 0 0 346.390 3.556 40 30 aggregator EHEBRN C/C(=N\N1CCN(Cc2ccc(Cl)cc2)CC1)c1cccs1 ZINC000019594639 212050497 /nfs/dbraw/zinc/05/04/97/212050497.db2.gz DOKXYVMWKDJGCW-XMHGGMMESA-N 0 0 333.888 3.943 40 30 EHEBRN C#CCCCCCCCCCCC[C@H](C[C@H](O)CO)OC(C)=O ZINC000015270297 211810896 /nfs/dbraw/zinc/81/08/96/211810896.db2.gz FHGZOCAZNHYWAL-RBUKOAKNSA-N 0 0 326.477 3.586 40 30 endogenous,in-man EHEBRN O=C1CC(/C=C/c2ccccc2)CC(=O)C1=C1Nc2ccccc2N1 ZINC000009287746 211062361 /nfs/dbraw/zinc/06/23/61/211062361.db2.gz PTQDGHBZEKMAMQ-ZHACJKMWSA-N 0 0 330.387 3.997 40 30 EHEBRN COc1ccccc1/N=C1/NC(=O)/C(=C/c2ccccc2F)S1 ZINC000007276541 210779135 /nfs/dbraw/zinc/77/91/35/210779135.db2.gz SZPPOTKQFNKLCJ-GDNBJRDFSA-N 0 0 328.368 3.726 40 30 EHEBRN C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc2ccccc2c1 ZINC000004963288 210341890 /nfs/dbraw/zinc/34/18/90/210341890.db2.gz GUKPILPRPDLFCE-HMMYKYKNSA-N 0 0 338.432 3.851 40 30 EHEBRN C[C@]1([C@H]2CC[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)CO1 ZINC000118918026 221203337 /nfs/dbraw/zinc/20/33/37/221203337.db2.gz ZQSQEUPUOWBSRX-DOPBDDSQSA-N 0 0 348.527 3.766 40 30 EHEBRN COc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1C ZINC000409033072 257881863 /nfs/dbraw/zinc/88/18/63/257881863.db2.gz KVFQYISEHQWIEU-IOXNKQMXSA-N 0 0 332.219 3.718 40 30 EHEBRN C=CCNC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1 ZINC000027394224 518939024 /nfs/dbraw/zinc/93/90/24/518939024.db2.gz LOVWLCPBZZRQBU-UHFFFAOYSA-N 0 0 342.826 3.827 40 30 EHEBRN C=CCOc1cccc(NS(=O)(=O)c2cc(C)c(OC)cc2C)c1 ZINC000223122948 519057938 /nfs/dbraw/zinc/05/79/38/519057938.db2.gz OBNKGTTXYZKIGJ-UHFFFAOYSA-N 0 0 347.436 3.678 40 30 EHEBRN Cc1ccc(S(=O)(=O)OCCCc2c[nH]c3ccc(F)cc23)cc1 ZINC000026894762 525620432 /nfs/dbraw/zinc/62/04/32/525620432.db2.gz PAFDHRHUPLEGPQ-UHFFFAOYSA-N 0 0 347.411 3.954 40 30 EHEBRN CCCCCc1c(N)cc(C#N)n1CCOc1ccc(OC)cc1 ZINC000225862432 535141165 /nfs/dbraw/zinc/14/11/65/535141165.db2.gz PDLHZTXMJRJHFP-UHFFFAOYSA-N 0 0 327.428 3.762 40 30 EHEBRN CC[C@H](C)Oc1ccc(NC(=O)C(C)(C)Br)c(C#N)c1 ZINC000225786964 536178534 /nfs/dbraw/zinc/17/85/34/536178534.db2.gz HQELINGQALOOLR-JTQLQIEISA-N 0 0 339.233 3.848 40 30 EHEBRN CC(=O)C(=Cn1c2ccccc2[nH]c1=S)C(=O)Nc1ccccc1 ZINC000001637418 563398113 /nfs/dbraw/zinc/39/81/13/563398113.db2.gz IQCLQSUBHWAMKK-SDNWHVSQSA-N 0 0 337.404 3.767 40 30 EHEBRN COc1ccc(SC2=C(N(C)C)C(=O)c3ccccc3C2=O)cc1 ZINC000001710904 563406180 /nfs/dbraw/zinc/40/61/80/563406180.db2.gz ZVQYWNOFCSHTRC-UHFFFAOYSA-N 0 0 339.416 3.640 40 30 EHEBRN C=CCn1c(CCCC)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000408562306 563477640 /nfs/dbraw/zinc/47/76/40/563477640.db2.gz OTGISWNEXDCRFY-UHFFFAOYSA-N 0 0 344.484 3.846 40 30 EHEBRN COc1cccc(/C=N/OCc2cccc([N+](=O)[O-])c2)c1OC(C)C ZINC000408589110 563487508 /nfs/dbraw/zinc/48/75/08/563487508.db2.gz DAXVGLCUQCGMSW-YBFXNURJSA-N 0 0 344.367 3.941 40 30 EHEBRN COc1ccc(/N=C2/NC(=O)/C(=C\c3cccs3)S2)c(OC)c1 ZINC000005376766 563530065 /nfs/dbraw/zinc/53/00/65/563530065.db2.gz HZDNDEYADICYHQ-NTEUORMPSA-N 0 0 346.433 3.657 40 30 EHEBRN C/C(=N/N=C(/C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000005412028 563531424 /nfs/dbraw/zinc/53/14/24/563531424.db2.gz WCXRLAGKRXMKSY-WHYMJUELSA-N 0 0 326.312 3.736 40 30 EHEBRN O=C(C=CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(O)cc1 ZINC000408718147 563614377 /nfs/dbraw/zinc/61/43/77/563614377.db2.gz MLDLDTWBIGUEFG-AUYDJSIHSA-N 0 0 329.268 3.510 40 30 EHEBRN CSC1=N[C@H](c2ccc(Br)cc2)C(C(C)=O)=C(C)N1 ZINC000408730275 563630515 /nfs/dbraw/zinc/63/05/15/563630515.db2.gz GROXELDLISLIAK-CYBMUJFWSA-N 0 0 339.258 3.675 40 30 EHEBRN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc2ncccc2c1 ZINC000408740449 563639453 /nfs/dbraw/zinc/63/94/53/563639453.db2.gz KTINMBQHHQTZLV-MNOULKQQSA-N 0 0 328.375 3.976 40 30 EHEBRN CCOC(=O)C[C@@H](c1ccccc1)[C@](C#N)(c1ccccc1)N(C)C ZINC000031667389 563912875 /nfs/dbraw/zinc/91/28/75/563912875.db2.gz MYACROWMLUCQHY-FPOVZHCZSA-N 0 0 336.435 3.704 40 30 EHEBRN C=CCOc1ccc(C(=O)NCCOc2ccc(CC)cc2)cc1 ZINC000224638844 563994485 /nfs/dbraw/zinc/99/44/85/563994485.db2.gz WWPQFCVGIRTWJR-UHFFFAOYSA-N 0 0 325.408 3.623 40 30 EHEBRN C=CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225018086 563995493 /nfs/dbraw/zinc/99/54/93/563995493.db2.gz CETCTIYROJVWGS-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1O ZINC000408930761 564008075 /nfs/dbraw/zinc/00/80/75/564008075.db2.gz BSWLCGOKBXMRLM-UDWIEESQSA-N 0 0 346.814 3.641 40 30 EHEBRN C/N=C1/S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1C ZINC000408930400 564008089 /nfs/dbraw/zinc/00/80/89/564008089.db2.gz WNJCMNXOADBFPY-KFBYJWCXSA-N 0 0 338.432 3.798 40 30 EHEBRN CN(C)c1ccc(-n2cccc2C=NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408950897 564008204 /nfs/dbraw/zinc/00/82/04/564008204.db2.gz GRNSEVPSEMQLJV-XSFVSMFZSA-N 0 0 349.394 3.898 40 30 EHEBRN COc1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)ccc1C ZINC000409032940 564009100 /nfs/dbraw/zinc/00/91/00/564009100.db2.gz JXQBXMHNQHSLCO-CGOBSMCZSA-N 0 0 332.219 3.718 40 30 EHEBRN C=CCN1C(=O)S/C(=C/c2ccc(OC(C)C)c(OC)c2)C1=O ZINC000409098296 564009863 /nfs/dbraw/zinc/00/98/63/564009863.db2.gz KWPGSJXOBOYSRG-XNTDXEJSSA-N 0 0 333.409 3.705 40 30 EHEBRN COc1ccc(Cl)cc1/N=C/c1cn(CC(N)=O)c2ccccc12 ZINC000409385842 564011993 /nfs/dbraw/zinc/01/19/93/564011993.db2.gz NHGCAXQOUUFAMK-ZVBGSRNCSA-N 0 0 341.798 3.539 40 30 EHEBRN CCOc1cc(/C=C/C(=O)c2ccc(OC)c(OC)c2)ccc1O ZINC000007744415 564015794 /nfs/dbraw/zinc/01/57/94/564015794.db2.gz OBMNTVKRIFVLRB-VMPITWQZSA-N 0 0 328.364 3.704 40 30 EHEBRN COc1ccc(CSCC(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000020237840 564024044 /nfs/dbraw/zinc/02/40/44/564024044.db2.gz RFUONZPUCJAMPT-UHFFFAOYSA-N 0 0 326.421 3.633 40 30 EHEBRN Cc1ccc2c(c1)C(=NNc1ccc(Br)c(C)c1)C(=O)N2 ZINC000223722804 564040693 /nfs/dbraw/zinc/04/06/93/564040693.db2.gz BYWMURTUBPGLOS-UHFFFAOYSA-N 0 0 344.212 3.834 40 30 EHEBRN COc1ccc(C=NNc2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000033927622 564050241 /nfs/dbraw/zinc/05/02/41/564050241.db2.gz ZTDMUEPMXUFHQI-SXGWCWSVSA-N 0 0 328.353 3.659 40 30 EHEBRN CCOc1ccc2cc(C#N)c(SCC(=O)N[C@H](C)CC)nc2c1 ZINC000001354914 564063257 /nfs/dbraw/zinc/06/32/57/564063257.db2.gz JJOLDBDEDJMLPK-GFCCVEGCSA-N 0 0 343.452 3.512 40 30 EHEBRN CN(CC#CCOc1ccc(Br)cc1)c1ccccc1 ZINC000001757480 564074735 /nfs/dbraw/zinc/07/47/35/564074735.db2.gz HPSWSKADYGEXJO-UHFFFAOYSA-N 0 0 330.225 3.968 40 30 EHEBRN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CC#N ZINC000253499771 564124647 /nfs/dbraw/zinc/12/46/47/564124647.db2.gz PVJTWKXCNGTZRG-QYYVTAPASA-N 0 0 329.484 3.955 40 30 EHEBRN CCOc1ccc(C=NNc2nc3ccccc3n2C)cc1OCC ZINC000007343342 564126631 /nfs/dbraw/zinc/12/66/31/564126631.db2.gz MUNHXDLFHWFOOF-DEDYPNTBSA-N 0 0 338.411 3.817 40 30 EHEBRN C#CCn1cc(C=NNc2nc3ccccc3n2C)c2ccccc21 ZINC000007343398 564126657 /nfs/dbraw/zinc/12/66/57/564126657.db2.gz AWXOMWCHTAPIPH-FYJGNVAPSA-N 0 0 327.391 3.607 40 30 EHEBRN N#Cc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000006684051 564129833 /nfs/dbraw/zinc/12/98/33/564129833.db2.gz UCRJFLWJCLJPHG-AWQFTUOYSA-N 0 0 334.257 3.931 40 30 EHEBRN COCc1cc(C)n(Cc2ccc(Cl)c(Cl)c2)c(=O)c1C#N ZINC000408606259 564133653 /nfs/dbraw/zinc/13/36/53/564133653.db2.gz PLMCQNMIOJEEQY-UHFFFAOYSA-N 0 0 337.206 3.530 40 30 EHEBRN CCCN(CCC)c1nn(-c2ccc(Br)cc2)nc1C#N ZINC000256049122 564134710 /nfs/dbraw/zinc/13/47/10/564134710.db2.gz YGUITSFJJPRUHG-UHFFFAOYSA-N 0 0 348.248 3.528 40 30 EHEBRN O=[N+]([O-])c1ccc(Cl)cc1N=NC1[C@@H]2CC3C[C@H]1CC(O)(C3)C2 ZINC000012658718 564135456 /nfs/dbraw/zinc/13/54/56/564135456.db2.gz FLWRBYDRBLGSPO-WWWQPRNBSA-N 0 0 335.791 3.587 40 30 EHEBRN CCCC/C(=N\NS(=O)(=O)c1ccccc1)c1cc(C)ccc1O ZINC000055146001 214279266 /nfs/dbraw/zinc/27/92/66/214279266.db2.gz WGRPYDYYZFZFBY-HTXNQAPBSA-N 0 0 346.452 3.573 40 30 EHEBRN Clc1ccc(OCC#CI)cc1Cl ZINC000098175237 219086455 /nfs/dbraw/zinc/08/64/55/219086455.db2.gz GNQLEBDMFXORDQ-UHFFFAOYSA-N 0 0 326.948 3.768 40 30 EHEBRN COc1ccc(/C=N\O)cc1OCc1ccc(Br)cc1 ZINC000103850118 219325554 /nfs/dbraw/zinc/32/55/54/219325554.db2.gz BNUCWFGCIBQYCF-MFOYZWKCSA-N 0 0 336.185 3.845 40 30 EHEBRN N#Cc1c(N)n(-c2cc(C(F)(F)F)ccn2)nc1-c1ccc(F)cc1 ZINC000039955124 213244842 /nfs/dbraw/zinc/24/48/42/213244842.db2.gz BGBURMSAEVSMQR-UHFFFAOYSA-N 0 0 347.275 3.546 40 30 EHEBRN C[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000000800767 209686586 /nfs/dbraw/zinc/68/65/86/209686586.db2.gz QLZOWLCYXXAGTF-GFCCVEGCSA-N 0 0 326.421 3.905 40 30 EHEBRN CCc1ccc([C@@H]2[C@H](C=O)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000218669392 241337103 /nfs/dbraw/zinc/33/71/03/241337103.db2.gz BTOUIDOWHDNYCC-KSZLIROESA-N 0 0 348.851 3.657 40 30 EHEBRN C=CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000224596590 241766666 /nfs/dbraw/zinc/76/66/66/241766666.db2.gz KUKBJGNWZRQJEK-UHFFFAOYSA-N 0 0 335.400 3.606 40 30 EHEBRN CO[C@@]1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCC[C@H](C)C1 ZINC000225808757 242046071 /nfs/dbraw/zinc/04/60/71/242046071.db2.gz CBWHVLZLNIJAEC-LIRRHRJNSA-N 0 0 330.428 3.879 40 30 EHEBRN N#Cc1c(N)n(Cc2ccc(Cl)cc2)nc1OCc1ccccc1 ZINC000225840398 242059525 /nfs/dbraw/zinc/05/95/25/242059525.db2.gz PFCQZCNNLRAHSX-UHFFFAOYSA-N 0 0 338.798 3.618 40 30 EHEBRN Cc1ccc(Cn2nc(OCc3cccc(C)c3)c(C#N)c2N)cc1 ZINC000225846109 242061388 /nfs/dbraw/zinc/06/13/88/242061388.db2.gz ZAMBZPMNNZMETF-UHFFFAOYSA-N 0 0 332.407 3.581 40 30 EHEBRN COc1ccc2c(c1)O[C@@H](C)C/C2=N\OC(=O)c1ccccc1F ZINC000021006064 212199887 /nfs/dbraw/zinc/19/98/87/212199887.db2.gz ZRRBKNSVLQUXSR-NABPABCNSA-N 0 0 329.327 3.566 40 30 EHEBRN CC(=NNc1nnc(SCc2ccc(C)cc2)[nH]1)c1ccccn1 ZINC000020367413 212123626 /nfs/dbraw/zinc/12/36/26/212123626.db2.gz JTRSJQXRWOLTNO-DEDYPNTBSA-N 0 0 338.440 3.637 40 30 EHEBRN COc1ccc(-c2cc(-c3cccc([N+](=O)[O-])c3)c(C#N)c(N)n2)cc1 ZINC000019973680 212092282 /nfs/dbraw/zinc/09/22/82/212092282.db2.gz HOFHEPIWHDLNAX-UHFFFAOYSA-N 0 0 346.346 3.786 40 30 EHEBRN CCN(CC)CN1c2ccccc2/C(=N/c2ccc(F)cc2)C1=O ZINC000019202065 212004281 /nfs/dbraw/zinc/00/42/81/212004281.db2.gz PIXWVPKEPZFQRX-UZYVYHOESA-N 0 0 325.387 3.592 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004887463 210312760 /nfs/dbraw/zinc/31/27/60/210312760.db2.gz LASCNIPXMJNRGS-HGUQNLGYSA-N 0 0 328.452 3.903 40 30 in-vitro EHEBRN C#C[C@@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(C#C)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118914837 221203131 /nfs/dbraw/zinc/20/31/31/221203131.db2.gz RGONBQJNKIRXIP-RRTRDGHFSA-N 0 0 340.507 3.758 40 30 EHEBRN CCc1ccc([C@@H]2[C@@H](C#N)[C@H]2S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000242463967 257684461 /nfs/dbraw/zinc/68/44/61/257684461.db2.gz DQVARHGFUIUDEZ-GUDVDZBRSA-N 0 0 325.433 3.637 40 30 EHEBRN COc1ccc(Br)cc1CN=Nc1nc(C)cs1 ZINC000409051525 257881576 /nfs/dbraw/zinc/88/15/76/257881576.db2.gz CYWQJIHHDHBPBG-MKMNVTDBSA-N 0 0 326.219 3.669 40 30 EHEBRN Cc1nc(N)c(C#N)c(-c2ccc(OCC#N)cc2)c1-c1ccccc1 ZINC000408977652 257884337 /nfs/dbraw/zinc/88/43/37/257884337.db2.gz FBMWEJPCACHEQI-UHFFFAOYSA-N 0 0 340.386 3.911 40 30 EHEBRN CC[C@H](C)Oc1c(CN=Nc2ccc([N+](=O)[O-])cn2)cccc1OC ZINC000408914573 257886181 /nfs/dbraw/zinc/88/61/81/257886181.db2.gz YLWLZTRBFCEEFA-ZTPSMGMTSA-N 0 0 344.371 3.622 40 30 EHEBRN CCC1N=NC(=S)N1N=Cc1cc(C)n(-c2ccc(F)cc2)c1C ZINC000408860159 257887037 /nfs/dbraw/zinc/88/70/37/257887037.db2.gz WLNBGXYJWBYDKI-VXLYETTFSA-N 0 0 343.431 3.558 40 30 EHEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OCC)c1OCC ZINC000408808938 257888208 /nfs/dbraw/zinc/88/82/08/257888208.db2.gz HBZKLQLXWJEAOK-PTNGSMBKSA-N 0 0 347.436 3.879 40 30 EHEBRN CCCCCCCCCCNC(=O)C(=O)Nc1cccc(OC)c1 ZINC000408709750 257891625 /nfs/dbraw/zinc/89/16/25/257891625.db2.gz WPIHQWMKTISLQK-UHFFFAOYSA-N 0 0 334.460 3.891 40 30 EHEBRN N=C(N=NCCc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1 ZINC000005569608 526825284 /nfs/dbraw/zinc/82/52/84/526825284.db2.gz SFPZLUSWVVATOM-CLVAPQHMSA-N 0 0 348.237 3.670 40 30 EHEBRN COc1ccc(/C=N/NC(=S)Nc2cccc(C)c2)cc1Cl ZINC000000573116 563350279 /nfs/dbraw/zinc/35/02/79/563350279.db2.gz HGPVNUCOHJICBF-VCHYOVAHSA-N 0 0 333.844 3.978 40 30 EHEBRN Cc1cc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c(C)s1 ZINC000001431754 563389234 /nfs/dbraw/zinc/38/92/34/563389234.db2.gz UBXIYBXFHOTVTB-AWEZNQCLSA-N 0 0 346.496 3.801 40 30 EHEBRN NOC(=O)[C@H]1[C@H](c2ccccc2)C1(c1ccccc1)c1ccccc1 ZINC000001707152 563405713 /nfs/dbraw/zinc/40/57/13/563405713.db2.gz UYOXWYCIAHPBLL-VQTJNVASSA-N 0 0 329.399 3.803 40 30 EHEBRN CCCCCCCC(=O)Nc1ccc(-n2c(=O)cc(C)n2C)cc1 ZINC000001715063 563406477 /nfs/dbraw/zinc/40/64/77/563406477.db2.gz XDOBXAIPGNEDHT-UHFFFAOYSA-N 0 0 329.444 3.783 40 30 EHEBRN C=CCOc1ccc2ccccc2c1C=C1SC(=S)NC1=O ZINC000408529921 563414434 /nfs/dbraw/zinc/41/44/34/563414434.db2.gz JMPOOOPIWRVQDE-GDNBJRDFSA-N 0 0 327.430 3.893 40 30 EHEBRN O=[N+]([O-])c1ccc(/C=N/N=C/c2ccc(Br)cc2)cc1 ZINC000003124757 563473355 /nfs/dbraw/zinc/47/33/55/563473355.db2.gz LTOMVKJMKKOUCL-CZCYGEDCSA-N 0 0 332.157 3.810 40 30 EHEBRN CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(C)o2)S1 ZINC000005376670 563530033 /nfs/dbraw/zinc/53/00/33/563530033.db2.gz CNTDQYCGBNBDPC-XNTDXEJSSA-N 0 0 328.393 3.878 40 30 EHEBRN CN(C)c1ccc(/C=N/NC(=S)Nc2ccccc2)c(Cl)c1 ZINC000005422948 563532296 /nfs/dbraw/zinc/53/22/96/563532296.db2.gz JZRYRWBQAUVTNO-WOJGMQOQSA-N 0 0 332.860 3.727 40 30 EHEBRN O=[N+]([O-])c1ccc(N=NCc2c(F)cccc2Cl)c([N+](=O)[O-])c1 ZINC000005749292 563548824 /nfs/dbraw/zinc/54/88/24/563548824.db2.gz FLDXMSLWTNMVEB-FRKPEAEDSA-N 0 0 338.682 3.742 40 30 EHEBRN S=C1N=NC(c2ccco2)N1N=CC(Cl)=Cc1ccccc1 ZINC000006258931 563563061 /nfs/dbraw/zinc/56/30/61/563563061.db2.gz DFPYIYOVIRULML-GRALHKOYSA-N 0 0 330.800 3.941 40 30 EHEBRN CCCCOC1(NC(=O)c2cccc(C)c2)C(C)=CC(=O)C=C1C ZINC000016779559 563823332 /nfs/dbraw/zinc/82/33/32/563823332.db2.gz XXHCNHFCBPWLAB-UHFFFAOYSA-N 0 0 327.424 3.713 40 30 EHEBRN CN(C)c1ccc(/C=N\NC(=S)Nc2ccccc2)c(Cl)c1 ZINC000016955204 563826740 /nfs/dbraw/zinc/82/67/40/563826740.db2.gz JZRYRWBQAUVTNO-WQRHYEAKSA-N 0 0 332.860 3.727 40 30 EHEBRN CCOc1ccc(/N=C/c2cc(OC)c(OC)c(OC)c2)c(O)c1 ZINC000018085745 563925761 /nfs/dbraw/zinc/92/57/61/563925761.db2.gz KOKYHYXMDPZYSW-YBFXNURJSA-N 0 0 331.368 3.567 40 30 EHEBRN Cc1ncc(NC(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)s1 ZINC000328782538 563964891 /nfs/dbraw/zinc/96/48/91/563964891.db2.gz JSHPGNVRHRPMTK-CYBMUJFWSA-N 0 0 338.477 3.712 40 30 EHEBRN N#Cc1c(NC(=O)c2ccc(C#N)cc2F)sc2c1CCCC2 ZINC000014258587 563983786 /nfs/dbraw/zinc/98/37/86/563983786.db2.gz URPIIQAJBORHEC-UHFFFAOYSA-N 0 0 325.368 3.762 40 30 EHEBRN CC(C)(C)OC(=O)N1CCC(CSc2ncccc2C#N)CC1 ZINC000085332905 563986086 /nfs/dbraw/zinc/98/60/86/563986086.db2.gz OYBWNNUKXGROBO-UHFFFAOYSA-N 0 0 333.457 3.692 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@H](CC)Oc2ccccc2C)s1 ZINC000224645652 563994526 /nfs/dbraw/zinc/99/45/26/563994526.db2.gz IMEJQWQZTASEJM-LBPRGKRZSA-N 0 0 349.481 3.921 40 30 EHEBRN C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000224683125 563994610 /nfs/dbraw/zinc/99/46/10/563994610.db2.gz GTTOQGSFTMKZIK-UHFFFAOYSA-N 0 0 331.437 3.775 40 30 EHEBRN C=CCN(c1ccc(CC)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224748855 563994853 /nfs/dbraw/zinc/99/48/53/563994853.db2.gz FJTZVUHZRLOWTN-UHFFFAOYSA-N 0 0 346.408 3.539 40 30 EHEBRN C=CCSc1nnc(NC(=O)Cc2cccc(Cl)c2)s1 ZINC000225546875 563995924 /nfs/dbraw/zinc/99/59/24/563995924.db2.gz RXXFUPBWHWQRKY-UHFFFAOYSA-N 0 0 325.846 3.651 40 30 EHEBRN CCc1cccc(CC)c1NC(=O)CO/N=C/c1ccc(OC)cc1 ZINC000003186981 564004119 /nfs/dbraw/zinc/00/41/19/564004119.db2.gz LUFBCRSCMYMFPL-FYJGNVAPSA-N 0 0 340.423 3.809 40 30 EHEBRN CCCCCCOc1ccc(C=NN2C(=O)N[C@@](C)(CC)C2=O)cc1 ZINC000003528156 564004628 /nfs/dbraw/zinc/00/46/28/564004628.db2.gz WPSNGAHWTCYHAR-XPFMCRKWSA-N 0 0 345.443 3.700 40 30 EHEBRN Cc1cc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)c(C)n1C ZINC000408776777 564007172 /nfs/dbraw/zinc/00/71/72/564007172.db2.gz QPLPNAMJIJSOTB-YBEGLDIGSA-N 0 0 325.437 3.842 40 30 EHEBRN COc1ccc(C)cc1/N=C\c1ccc(OCC(=O)NC(C)C)cc1 ZINC000408809948 564007334 /nfs/dbraw/zinc/00/73/34/564007334.db2.gz SULNJRKTEQQAHW-MTJSOVHGSA-N 0 0 340.423 3.658 40 30 EHEBRN C/N=C1/SC(=Cc2ccc(-c3ccc(C(C)=O)cc3)o2)C(=O)N1C ZINC000408930073 564008079 /nfs/dbraw/zinc/00/80/79/564008079.db2.gz RSZYEHYDVJFGJI-NDCXWZKTSA-N 0 0 340.404 3.681 40 30 EHEBRN CCCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OC ZINC000409076755 564009461 /nfs/dbraw/zinc/00/94/61/564009461.db2.gz CCUPQKPLEZDXHL-VBKFSLOCSA-N 0 0 337.375 3.829 40 30 EHEBRN C=CCN1C(=O)N/C(=C/c2cc(C(C)C)c(OCC)cc2C)C1=O ZINC000409127621 564010408 /nfs/dbraw/zinc/01/04/08/564010408.db2.gz OJLSVWJDDRWTQX-LFIBNONCSA-N 0 0 328.412 3.596 40 30 EHEBRN COc1cc(/C=N/NC(=S)Nc2ccc(C(C)C)cc2)ccc1O ZINC000003262552 564026274 /nfs/dbraw/zinc/02/62/74/564026274.db2.gz IVVJISFANBYVPK-YBFXNURJSA-N 0 0 343.452 3.845 40 30 EHEBRN C[C@H](COc1ccccc1)NC(=S)Nc1ccc(CC#N)cc1 ZINC000225782313 564049727 /nfs/dbraw/zinc/04/97/27/564049727.db2.gz XVKYKWPCPYXVDA-CQSZACIVSA-N 0 0 325.437 3.507 40 30 EHEBRN C=C1C(=O)O[C@H]2[C@H]1C[C@@H]1O[C@@H]2[C@@H](C)CCC/C(C)=C\CC[C@@]1(C)O ZINC000059364551 564065612 /nfs/dbraw/zinc/06/56/12/564065612.db2.gz RFCBIORAGZWLAM-UKHJOPFPSA-N 0 0 334.456 3.539 40 30 EHEBRN Cc1ccc2cc(C#N)c(SCC(=O)N3CCC[C@H](C)C3)nc2c1 ZINC000000412213 564133194 /nfs/dbraw/zinc/13/31/94/564133194.db2.gz VOBURNCCZCAHNC-AWEZNQCLSA-N 0 0 339.464 3.766 40 30 EHEBRN CCOc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1OCC ZINC000408980898 564133666 /nfs/dbraw/zinc/13/36/66/564133666.db2.gz UBTZVXCUUAAEHA-UHFFFAOYSA-N 0 0 337.423 3.709 40 30 EHEBRN Cc1ccc(/C=N/N2C(=O)CN(C(C)C)[C@@H]2c2ccc(C)cc2)cc1 ZINC000055190354 214285844 /nfs/dbraw/zinc/28/58/44/214285844.db2.gz RWMRMHCJOHRTBF-UKKLRFBMSA-N 0 0 335.451 3.889 40 30 EHEBRN COc1ccccc1N=CC(=CNc1ccccc1OC)[N+](=O)[O-] ZINC000100716469 219104901 /nfs/dbraw/zinc/10/49/01/219104901.db2.gz XWGBSDHUNXYYCY-KCVQHHRGSA-N 0 0 327.340 3.636 40 30 EHEBRN C=CCC[C@@]12O[C@@H](C=C1C)C(Cl)(Cl)C(=O)C2(Cl)Cl ZINC000003851858 210080193 /nfs/dbraw/zinc/08/01/93/210080193.db2.gz XYVHULQKIYPAMT-WCBMZHEXSA-N 0 0 330.038 3.967 40 30 EHEBRN N#Cc1cc([N+](=O)[O-])ccc1NCc1cccc(Br)c1 ZINC000037131430 213134439 /nfs/dbraw/zinc/13/44/39/213134439.db2.gz FNFWCIWYPAETFH-UHFFFAOYSA-N 0 0 332.157 3.841 40 30 EHEBRN N#Cc1cc([N+](=O)[O-])ccc1NCc1ccc(Br)cc1 ZINC000035231888 213015282 /nfs/dbraw/zinc/01/52/82/213015282.db2.gz NKGPUFPYABAVQG-UHFFFAOYSA-N 0 0 332.157 3.841 40 30 EHEBRN C=CCc1cc(CO)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000034772836 212986325 /nfs/dbraw/zinc/98/63/25/212986325.db2.gz QZOYWOLZNFEFBK-UHFFFAOYSA-N 0 0 343.379 3.793 40 30 EHEBRN CSc1nc2c(-c3ccc(Cl)cc3)c(C)nn2c(N)c1C#N ZINC000215882075 241153859 /nfs/dbraw/zinc/15/38/59/241153859.db2.gz SDMOBQDEXFNEFN-UHFFFAOYSA-N 0 0 329.816 3.534 40 30 EHEBRN C=CCOc1ccc(NC(=O)C2(C)COC(=O)OC2)c2ccccc12 ZINC000225914017 242077895 /nfs/dbraw/zinc/07/78/95/242077895.db2.gz UTSFJELALIVEDZ-UHFFFAOYSA-N 0 0 341.363 3.516 40 30 EHEBRN COc1ccc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000019848773 212076514 /nfs/dbraw/zinc/07/65/14/212076514.db2.gz XLSVIBMMSWWCPK-STZFKDTASA-N 0 0 343.858 3.500 40 30 EHEBRN CC(C)c1ccc2nc(SCC(=O)N3CCCC3)c(C#N)cc2c1 ZINC000004848971 210298727 /nfs/dbraw/zinc/29/87/27/210298727.db2.gz YFRCNGBQDPUAPD-UHFFFAOYSA-N 0 0 339.464 3.944 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C ZINC000118916617 221203155 /nfs/dbraw/zinc/20/31/55/221203155.db2.gz WKLSIBAACVYLOP-OJHXZJMFSA-N 0 0 348.458 3.642 40 30 EHEBRN O=C1c2ccccc2C/C1=C\c1ccc(I)o1 ZINC000409369276 257871825 /nfs/dbraw/zinc/87/18/25/257871825.db2.gz JQKPSGYPIMHRLS-CSKARUKUSA-N 0 0 336.128 3.707 40 30 EHEBRN N#CCn1cc(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000408931212 262505523 /nfs/dbraw/zinc/50/55/23/262505523.db2.gz INPZHVAPPYOOSL-HZHRSRAPSA-N 0 0 344.418 3.752 40 30 EHEBRN C=CCc1ccccc1OCc1ccc(C(=O)NCc2ccccn2)o1 ZINC000027983978 519147271 /nfs/dbraw/zinc/14/72/71/519147271.db2.gz WPOMKMNLTOGWPV-UHFFFAOYSA-N 0 0 348.402 3.912 40 30 EHEBRN C=CCc1cc(C(=O)NCCOc2ccc(C)cc2)ccc1OC ZINC000218656271 534409837 /nfs/dbraw/zinc/40/98/37/534409837.db2.gz HXLVHNUWJQZXSC-UHFFFAOYSA-N 0 0 325.408 3.541 40 30 EHEBRN CCCOc1ccccc1CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000034719045 520471810 /nfs/dbraw/zinc/47/18/10/520471810.db2.gz BIDZWLDHUZHPDQ-BOPFTXTBSA-N 0 0 344.327 3.738 40 30 EHEBRN COc1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000016406612 523402968 /nfs/dbraw/zinc/40/29/68/523402968.db2.gz HQCYHBWCFQZVEC-VQHVLOKHSA-N 0 0 343.335 3.517 40 30 EHEBRN COc1ccc(CCNC=C(C)C(=O)c2ccc(F)cc2)cc1OC ZINC000001718103 523943989 /nfs/dbraw/zinc/94/39/89/523943989.db2.gz GEHCVNRTMXFICS-BUHFOSPRSA-N 0 0 343.398 3.762 40 30 EHEBRN CCNC(=S)N=NCc1ccc(OCc2cccc(C)c2)cc1 ZINC000001969135 563417297 /nfs/dbraw/zinc/41/72/97/563417297.db2.gz CWPJVXADGOTTIZ-UDWIEESQSA-N 0 0 327.453 3.803 40 30 EHEBRN CCCCCCCCCCNC(=O)C(=O)NCc1ccccc1C ZINC000408708245 563594690 /nfs/dbraw/zinc/59/46/90/563594690.db2.gz WHOPPIBFYDHCHT-UHFFFAOYSA-N 0 0 332.488 3.868 40 30 EHEBRN Cc1cc(C)c(N/N=C2/Sc3ccccc3C2=O)c([N+](=O)[O-])c1 ZINC000408720558 563618285 /nfs/dbraw/zinc/61/82/85/563618285.db2.gz ULDSAGFSRJOVMH-FBMGVBCBSA-N 0 0 327.365 3.926 40 30 EHEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cccnc3)S2)cc1Cl ZINC000408739087 563639094 /nfs/dbraw/zinc/63/90/94/563639094.db2.gz SVTMWEPIEOTPCN-AUWJEWJLSA-N 0 0 329.812 3.935 40 30 EHEBRN CSc1ccc(C)c(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000031670197 563912885 /nfs/dbraw/zinc/91/28/85/563912885.db2.gz ZBOIJBYZLXKMRX-SXGWCWSVSA-N 0 0 346.368 3.979 40 30 EHEBRN COc1cc(C=NNc2ccccc2)cc(Br)c1OC ZINC000082251804 563924707 /nfs/dbraw/zinc/92/47/07/563924707.db2.gz OZSBAAFXFMKYGX-LICLKQGHSA-N 0 0 335.201 3.912 40 30 EHEBRN CC1(C)CC(=O)C2=C(C1)OC(N)=C([N+](=O)[O-])[C@H]2c1ccccc1Cl ZINC000000031258 563964167 /nfs/dbraw/zinc/96/41/67/563964167.db2.gz LGPCRZQBBYFJRP-ZDUSSCGKSA-N 0 0 348.786 3.502 40 30 EHEBRN C[C@@](O)(C(=O)N(O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001648068 563974349 /nfs/dbraw/zinc/97/43/49/563974349.db2.gz XUTSAJJKKLBVDN-HNNXBMFYSA-N 0 0 326.179 3.623 40 30 EHEBRN CCCCCCCCS(=O)(=O)Nc1cccc(/C(C)=N/O)c1 ZINC000100959438 563982881 /nfs/dbraw/zinc/98/28/81/563982881.db2.gz OTBCSZHKAUOCBK-SAPNQHFASA-N 0 0 326.462 3.987 40 30 EHEBRN C=CCc1cc(C(=O)NCCOc2ccccc2C)ccc1OC ZINC000224126218 563992599 /nfs/dbraw/zinc/99/25/99/563992599.db2.gz RGVYIPCAIDKGGV-UHFFFAOYSA-N 0 0 325.408 3.541 40 30 EHEBRN C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(F)cc1 ZINC000224916348 563995216 /nfs/dbraw/zinc/99/52/16/563995216.db2.gz NEMXCVHFVUEATO-UHFFFAOYSA-N 0 0 343.782 4.000 40 30 EHEBRN C=CCOc1ccc(NC(=S)NCc2ccccc2OC)cc1 ZINC000225313428 563995861 /nfs/dbraw/zinc/99/58/61/563995861.db2.gz MLHGNXHYYGQRFK-UHFFFAOYSA-N 0 0 328.437 3.747 40 30 EHEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccncc2)S1 ZINC000408865006 564007762 /nfs/dbraw/zinc/00/77/62/564007762.db2.gz ANTHKOVTNLLFND-ZROIWOOFSA-N 0 0 329.812 3.935 40 30 EHEBRN N#Cc1ccc(-c2ccc(CN=Nc3ncccc3[N+](=O)[O-])o2)cc1 ZINC000409023970 564009041 /nfs/dbraw/zinc/00/90/41/564009041.db2.gz OLAHZEJPMFWKOO-RGVLZGJSSA-N 0 0 333.307 3.567 40 30 EHEBRN CC(C)Oc1ccc2ccccc2c1C=NN1C(=O)CSC1=S ZINC000409338341 564011794 /nfs/dbraw/zinc/01/17/94/564011794.db2.gz ICSKRCYPTRLFQS-NVMNQCDNSA-N 0 0 344.461 3.821 40 30 EHEBRN C=CCc1cc(/C=C2\SC(=S)N(CC)C2=O)cc(OCC)c1O ZINC000409379604 564011953 /nfs/dbraw/zinc/01/19/53/564011953.db2.gz YKDMHYSHYSSVOR-UVTDQMKNSA-N 0 0 349.477 3.741 40 30 EHEBRN Cc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1C(=O)C[C@H](C)CC1=N2 ZINC000014164944 564021560 /nfs/dbraw/zinc/02/15/60/564021560.db2.gz BUUZDCUFAUGVJR-ABKXIKBNSA-N 0 0 328.803 3.508 40 30 EHEBRN Cc1cccc([C@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ncnn32)c1 ZINC000014165195 564021614 /nfs/dbraw/zinc/02/16/14/564021614.db2.gz JVJRGVHDUSPTSG-LIRRHRJNSA-N 0 0 346.390 3.595 40 30 EHEBRN CCOc1ccc2ccccc2c1CN=Nc1ccc([N+](=O)[O-])cn1 ZINC000033914334 564050229 /nfs/dbraw/zinc/05/02/29/564050229.db2.gz UJYLWLGEVLJALV-NDENLUEZSA-N 0 0 336.351 3.988 40 30 EHEBRN COc1ccccc1/C=C/C=NN1CCN(Cc2ccccc2)CC1 ZINC000238937038 564051539 /nfs/dbraw/zinc/05/15/39/564051539.db2.gz SXOUUKQWOKMHEP-UHFFFAOYSA-N 0 0 335.451 3.512 40 30 EHEBRN C/C(=N/O)C1=CC[C@@H]2[C@H]3CC=C4C[C@H](O)C[C@H](O)[C@]4(C)[C@@H]3CC[C@]12C ZINC000245241085 564052388 /nfs/dbraw/zinc/05/23/88/564052388.db2.gz XETDBTMQGVJJOY-OOYKNLOESA-N 0 0 345.483 3.667 40 30 EHEBRN C=CCSc1nnc2c(n1)O[C@@H](c1ccc[nH]1)Nc1ccccc1-2 ZINC000005480645 564070589 /nfs/dbraw/zinc/07/05/89/564070589.db2.gz QFDOPGCIPKOGOH-HNNXBMFYSA-N 0 0 337.408 3.648 40 30 EHEBRN C=CCOc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2OC)cc1 ZINC000032412432 564079349 /nfs/dbraw/zinc/07/93/49/564079349.db2.gz OKWDQOFHCGFXJA-CQSZACIVSA-N 0 0 341.407 3.760 40 30 EHEBRN CC[C@H](C)Sc1nc(N)c(C#N)c(COc2ccccc2C)n1 ZINC000223682564 564081765 /nfs/dbraw/zinc/08/17/65/564081765.db2.gz RNUWJAGDJPLTIO-LBPRGKRZSA-N 0 0 328.441 3.709 40 30 EHEBRN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@@]2(O)CC#N ZINC000245226300 564124120 /nfs/dbraw/zinc/12/41/20/564124120.db2.gz PVJTWKXCNGTZRG-LTGKAUERSA-N 0 0 329.484 3.955 40 30 EHEBRN C=CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1OCC ZINC000006656618 564126162 /nfs/dbraw/zinc/12/61/62/564126162.db2.gz YOZJSMJQICUJAF-UHFFFAOYSA-N 0 0 327.380 3.911 40 30 EHEBRN COc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1O ZINC000010118726 564127680 /nfs/dbraw/zinc/12/76/80/564127680.db2.gz PUAXYEADAUVSJU-DJKKODMXSA-N 0 0 325.195 3.831 40 30 EHEBRN CCNC(=S)N/N=C/c1cc(C)n(-c2c(C)cc(C)cc2C)c1C ZINC000006387066 564129821 /nfs/dbraw/zinc/12/98/21/564129821.db2.gz ZXWZVBLYWCDVNV-SRZZPIQSSA-N 0 0 342.512 3.837 40 30 EHEBRN CC[C@@H](C)NC(=O)CSc1nc2c(C)ccc(C)c2cc1C#N ZINC000000413330 564133199 /nfs/dbraw/zinc/13/31/99/564133199.db2.gz DJRFLRNWMUYLLY-CYBMUJFWSA-N 0 0 327.453 3.730 40 30 EHEBRN CCc1ccc([C@@H]2[C@H](C=O)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000252514289 564133796 /nfs/dbraw/zinc/13/37/96/564133796.db2.gz BTOUIDOWHDNYCC-RCCFBDPRSA-N 0 0 348.851 3.657 40 30 EHEBRN N#Cc1cnccc1CC(Cc1ccccc1)Cc1ccncc1C#N ZINC000003847437 564159485 /nfs/dbraw/zinc/15/94/85/564159485.db2.gz BIDREPFUFPPRMD-UHFFFAOYSA-N 0 0 338.414 3.864 40 30 EHEBRN CCC(CC)[C@@H]1O[C@H]2OC(=N)[C@](C#N)(C2(CC)CC)C1(C#N)C#N ZINC000004743929 210267906 /nfs/dbraw/zinc/26/79/06/210267906.db2.gz KOSZWJSCARNWGK-DHSIGJKJSA-N 0 0 328.416 3.505 40 30 EHEBRN CCOC(=O)[C@@H](C#N)[C@@H](c1ccc(F)cc1)[C@H]1CCOC(C)(C)C1 ZINC000100760611 219105856 /nfs/dbraw/zinc/10/58/56/219105856.db2.gz RXKQWQWAWGCAQF-XIRDDKMYSA-N 0 0 333.403 3.817 40 30 EHEBRN CC(=O)/C=C/c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12 ZINC000004293423 210162424 /nfs/dbraw/zinc/16/24/24/210162424.db2.gz LVXDIYCWXOHUEN-MDZDMXLPSA-N 0 0 339.416 3.789 40 30 EHEBRN N#Cc1cccc(CN2CCOC[C@H]2c2nc(-c3ccccc3)c[nH]2)c1 ZINC000067898653 215244972 /nfs/dbraw/zinc/24/49/72/215244972.db2.gz KKIQGKREXNLMAT-FQEVSTJZSA-N 0 0 344.418 3.522 40 30 biogenic,in-vitro EHEBRN CC(=NNC(=S)NCC(C)C)C(C)=NNc1ccc(Cl)cc1 ZINC000104191921 219358568 /nfs/dbraw/zinc/35/85/68/219358568.db2.gz JKSMUELDJLNQHW-VHVWWYSBSA-N 0 0 339.896 3.624 40 30 EHEBRN Cc1cccc2c1N(CCOc1ccc3ccccc3c1)C(=O)/C2=N\[O-] ZINC000039853989 213242685 /nfs/dbraw/zinc/24/26/85/213242685.db2.gz YEUBVHNDXVXXQQ-QOCHGBHMSA-N 0 0 346.386 3.752 40 30 EHEBRN Cc1ccc(C)c2nc(SCC(=O)N3CCCCC3)c(C#N)cc12 ZINC000000413329 209576494 /nfs/dbraw/zinc/57/64/94/209576494.db2.gz DEVKIUYKIZBSOY-UHFFFAOYSA-N 0 0 339.464 3.828 40 30 EHEBRN Cc1ccc(/N=C/c2c([Si](C)(C)C)nnn2-c2ccccc2)cc1 ZINC000195801244 241034401 /nfs/dbraw/zinc/03/44/01/241034401.db2.gz PYMOUHPIQHJUNE-XSFVSMFZSA-N 0 0 334.499 3.872 40 30 EHEBRN CCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)c(C#N)c1 ZINC000225832852 242054084 /nfs/dbraw/zinc/05/40/84/242054084.db2.gz KOSUKEBPMKQMNT-LIRRHRJNSA-N 0 0 330.428 3.881 40 30 EHEBRN N#Cc1c(N)n(Cc2ccccc2)nc1OCc1ccccc1Cl ZINC000225838858 242057126 /nfs/dbraw/zinc/05/71/26/242057126.db2.gz JVNMUNWNEZLWKZ-UHFFFAOYSA-N 0 0 338.798 3.618 40 30 EHEBRN CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(N(C)C)cc1 ZINC000021006185 212199788 /nfs/dbraw/zinc/19/97/88/212199788.db2.gz DTYUCTRPAHPRJJ-FQEVSTJZSA-N 0 0 346.434 3.980 40 30 EHEBRN Cc1nn2c([nH]c(=O)c(C#N)c2-c2ccccc2)c1-c1ccccc1 ZINC000021005782 212198685 /nfs/dbraw/zinc/19/86/85/212198685.db2.gz KONNRBNNPYDNLN-UHFFFAOYSA-N 0 0 326.359 3.537 40 30 EHEBRN C#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@]4(Cl)CC(=O)CC[C@@H]4[C@H]3CC[C@]21C ZINC000256073498 244066257 /nfs/dbraw/zinc/06/62/57/244066257.db2.gz LUASCMMEHVJZGP-IRIQXGSBSA-N 0 0 334.887 3.934 40 30 EHEBRN CCCc1ccccc1CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000013407765 211554495 /nfs/dbraw/zinc/55/44/95/211554495.db2.gz VOYFOZSLOWFKJR-BOPFTXTBSA-N 0 0 328.328 3.902 40 30 EHEBRN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)C(C)=Nc3ncnn32)cc1 ZINC000009926746 211134202 /nfs/dbraw/zinc/13/42/02/211134202.db2.gz CAVZDCXZRRAWSR-GOSISDBHSA-N 0 0 330.391 3.758 40 30 EHEBRN CC1(C)CC(=O)C=C(Nc2ccc(I)cc2)C1 ZINC000005644928 210507979 /nfs/dbraw/zinc/50/79/79/210507979.db2.gz UTMFFGOSSPTNCO-UHFFFAOYSA-N 0 0 341.192 3.976 40 30 EHEBRN O=[N+]([O-])c1ccc(CN=Nc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000005569295 210492137 /nfs/dbraw/zinc/49/21/37/210492137.db2.gz IJZWKFOQAQOGDY-PTXOJBNSSA-N 0 0 331.200 3.736 40 30 EHEBRN C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)NCCc1ccc(OC)c(OC)c1)C2 ZINC000004866997 210306694 /nfs/dbraw/zinc/30/66/94/210306694.db2.gz PFQQRUIYMVBOQW-IIBYNOLFSA-N 0 0 343.467 3.745 40 30 EHEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CC#N ZINC000118916346 221203382 /nfs/dbraw/zinc/20/33/82/221203382.db2.gz PVJTWKXCNGTZRG-URNIPBEBSA-N 0 0 329.484 3.955 40 30 EHEBRN C=C(C)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C ZINC000118915206 221203697 /nfs/dbraw/zinc/20/36/97/221203697.db2.gz NJXQZDNABHJQBG-ZXYIWLIBSA-N 0 0 344.495 3.796 40 30 EHEBRN C=CCN1C(=O)/C(=C\c2c(C)n(C)c3ccccc23)SC1=S ZINC000409346135 257872583 /nfs/dbraw/zinc/87/25/83/257872583.db2.gz NKPRXTSDGMNOFT-XNTDXEJSSA-N 0 0 328.462 3.874 40 30 EHEBRN C=CCN1C(=O)N/C(=C/c2ccc(-c3cc(Cl)ccc3C)o2)C1=O ZINC000409138941 257877236 /nfs/dbraw/zinc/87/72/36/257877236.db2.gz KFEGCLHUJAOOGN-XNTDXEJSSA-N 0 0 342.782 3.987 40 30 EHEBRN C#CCN1C(=O)S/C(=C/c2ccc(OC(C)C)c(Cl)c2)C1=O ZINC000409047430 257881856 /nfs/dbraw/zinc/88/18/56/257881856.db2.gz OOVZRSQZGGANJQ-NTEUORMPSA-N 0 0 335.812 3.797 40 30 EHEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(O)cc3O)C(=O)N2C)cc1 ZINC000408906219 257886504 /nfs/dbraw/zinc/88/65/04/257886504.db2.gz BBBKSJPTAONORV-WBZPAZRCSA-N 0 0 340.404 3.640 40 30 EHEBRN CCCCCCCCCNC(=O)C(=O)NC[C@@H](C)c1ccccc1 ZINC000408707876 257892179 /nfs/dbraw/zinc/89/21/79/257892179.db2.gz SEAZUJNPVQVXHN-QGZVFWFLSA-N 0 0 332.488 3.773 40 30 EHEBRN CCC(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000014257839 257858745 /nfs/dbraw/zinc/85/87/45/257858745.db2.gz ZFTHWAIWOIKKQW-SNVBAGLBSA-N 0 0 349.525 3.994 40 30 EHEBRN CC(=CC(=O)c1ccc(Br)cc1)NCc1cccnc1 ZINC000032100499 257913112 /nfs/dbraw/zinc/91/31/12/257913112.db2.gz JEURHHZKHBWNPU-FMIVXFBMSA-N 0 0 331.213 3.720 40 30 EHEBRN O=[N+]([O-])c1cccc(CN=Nc2nc(-c3cccs3)cs2)c1 ZINC000004766719 527384990 /nfs/dbraw/zinc/38/49/90/527384990.db2.gz HJNHTRNCEIPGAM-OVCLIPMQSA-N 0 0 330.394 3.648 40 30 EHEBRN CC=CC(=O)[C@@H](C(=O)OC(C)(C)C)[C@@H](c1ccccc1)[C@@H](C)[N+](=O)[O-] ZINC000005223421 563523178 /nfs/dbraw/zinc/52/31/78/563523178.db2.gz HTQLNQIWJBMCJJ-PAUDBELZSA-N 0 0 347.411 3.539 40 30 EHEBRN CCCOC1(NC(=O)c2ccc(Cl)cc2)C(C)=CC(=O)C=C1C ZINC000005597554 563541873 /nfs/dbraw/zinc/54/18/73/563541873.db2.gz DGFHIRASGWANEG-UHFFFAOYSA-N 0 0 333.815 3.668 40 30 EHEBRN CCCCC[C@@H](C/C=N\N(C)C)C(O)(C(F)(F)F)C(F)(F)F ZINC000005783273 563550047 /nfs/dbraw/zinc/55/00/47/563550047.db2.gz DUQTZXKXIYNAQS-ZFKRWFGPSA-N 0 0 336.320 3.976 40 30 EHEBRN O=C1NC(=Nc2cccc(Br)c2)S/C1=C\c1ccco1 ZINC000408742811 563639925 /nfs/dbraw/zinc/63/99/25/563639925.db2.gz SVMNQWWZDHKDOL-WQLSENKSSA-N 0 0 349.209 3.934 40 30 EHEBRN CC=CC=CC(=O)[C@@H]1c2cccc(O)c2C(=O)c2c(O)cc(C)cc21 ZINC000017211103 563840567 /nfs/dbraw/zinc/84/05/67/563840567.db2.gz DTKWQCFDNRPDGR-SPHDRNDXSA-N 0 0 334.371 3.784 40 30 EHEBRN CN1c2ccccc2/C(=N/OC(=O)c2ccc(C(C)(C)C)cc2)C1=O ZINC000032116634 563913567 /nfs/dbraw/zinc/91/35/67/563913567.db2.gz XTDIFMURUBXFKW-FXBPSFAMSA-N 0 0 336.391 3.522 40 30 EHEBRN CC(C)(C)c1ccc([C@@H]2c3sc(=O)[nH]c3SC[C@@H]2C=O)cc1 ZINC000032594574 563913989 /nfs/dbraw/zinc/91/39/89/563913989.db2.gz QQXZQTGHYXKJOX-AAEUAGOBSA-N 0 0 333.478 3.787 40 30 EHEBRN Cc1cccc2c1NC(=O)C2=NNc1ccc(Br)cc1 ZINC000059165240 563947724 /nfs/dbraw/zinc/94/77/24/563947724.db2.gz ARGAFVUZJHAHSI-UHFFFAOYSA-N 0 0 330.185 3.526 40 30 EHEBRN CS(=O)(=O)c1sc(N)c(C#N)c1-c1ccc(Cl)cc1Cl ZINC000096532110 563957057 /nfs/dbraw/zinc/95/70/57/563957057.db2.gz ODNBYAARWSZZIJ-UHFFFAOYSA-N 0 0 347.248 3.579 40 30 EHEBRN CC(=O)O[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@@H]12 ZINC000257345838 563970848 /nfs/dbraw/zinc/97/08/48/563970848.db2.gz KOSODIXFXCTYHT-VPGRVVOQSA-N 0 0 344.451 3.629 40 30 EHEBRN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000224591724 563994441 /nfs/dbraw/zinc/99/44/41/563994441.db2.gz FGEJDHMXAKBPCN-UHFFFAOYSA-N 0 0 335.400 3.606 40 30 EHEBRN C=CCN(c1ccccc1C)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000224631381 563994479 /nfs/dbraw/zinc/99/44/79/563994479.db2.gz FELTUWUHKUZXBZ-UHFFFAOYSA-N 0 0 331.437 3.693 40 30 EHEBRN C=CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224703432 563994706 /nfs/dbraw/zinc/99/47/06/563994706.db2.gz ZPWGAUOVJMLLCW-UHFFFAOYSA-N 0 0 337.828 3.730 40 30 EHEBRN C=CCOc1ccc(N(CC=C)S(=O)(=O)c2cccs2)cc1 ZINC000225142829 563995706 /nfs/dbraw/zinc/99/57/06/563995706.db2.gz HOXBTXQFZJGJOL-UHFFFAOYSA-N 0 0 335.450 3.694 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@H](C)Oc2ccccc2C)s1 ZINC000225710704 563995963 /nfs/dbraw/zinc/99/59/63/563995963.db2.gz AFLOJLILNLLLCJ-NSHDSACASA-N 0 0 335.454 3.531 40 30 EHEBRN COc1cc(Cl)c(C=NNc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000408908922 564007966 /nfs/dbraw/zinc/00/79/66/564007966.db2.gz FCSDTELQFHVGJK-MFOYZWKCSA-N 0 0 335.747 3.711 40 30 EHEBRN C#CCOc1ccc(/C=C2\Sc3ccccc3NC2=O)cc1OC ZINC000409098336 564009877 /nfs/dbraw/zinc/00/98/77/564009877.db2.gz PLYHOSXSKWPKCR-PDGQHHTCSA-N 0 0 337.400 3.793 40 30 EHEBRN CCOC(=O)c1cccc(/N=C/c2cc3c(cc2OCC)OCO3)c1 ZINC000409102019 564009928 /nfs/dbraw/zinc/00/99/28/564009928.db2.gz XPCPUMOTYAQUHJ-RGVLZGJSSA-N 0 0 341.363 3.741 40 30 EHEBRN C=CCN1C(=O)S/C(=C/c2ccc(N3CCCC3)cc2OC)C1=O ZINC000409107007 564010112 /nfs/dbraw/zinc/01/01/12/564010112.db2.gz ODAIWCUUCMIRCE-LFIBNONCSA-N 0 0 344.436 3.518 40 30 EHEBRN S=C(N/N=C/c1ccc(Br)cc1)Nc1ccccc1 ZINC000000491647 564012460 /nfs/dbraw/zinc/01/24/60/564012460.db2.gz UNRCIHJSZOVARZ-MHWRWJLKSA-N 0 0 334.242 3.770 40 30 EHEBRN C#C[C@](O)(c1ccc(C)cc1)[C@H]1CC[C@@H]1[C@@](O)(C#C)c1ccc(C)cc1 ZINC000006845875 564015160 /nfs/dbraw/zinc/01/51/60/564015160.db2.gz BHRAKBJCLIOPRY-NEWJYFPISA-N 0 0 344.454 3.671 40 30 EHEBRN CCOc1cc(C#N)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000013747121 564020667 /nfs/dbraw/zinc/02/06/67/564020667.db2.gz ZNNYNVZAYOMTII-UHFFFAOYSA-N 0 0 329.268 3.566 40 30 EHEBRN CCCOc1c(Br)cc(Br)cc1/C=N/O ZINC000013747780 564020682 /nfs/dbraw/zinc/02/06/82/564020682.db2.gz QOQGCDXMPRZJLF-AWNIVKPZSA-N 0 0 337.011 3.809 40 30 EHEBRN COc1ccc(CN/N=C(\C)c2ccc(O)c(Cl)c2)cc1OC ZINC000216058103 564033765 /nfs/dbraw/zinc/03/37/65/564033765.db2.gz IZNDWUHPQFMWSO-RGVLZGJSSA-N 0 0 334.803 3.577 40 30 EHEBRN C=C1C(=O)O[C@H]2/C=C(\C)C[C@@H]3C=C(CC/C=C(\C)CC[C@@H]12)C(=O)O3 ZINC000031155712 564049968 /nfs/dbraw/zinc/04/99/68/564049968.db2.gz KTYZKXFERQUCPX-LAIQUOMRSA-N 0 0 328.408 3.793 40 30 biogenic,in-vitro EHEBRN C=CCNC(=S)Nc1cccc([C@@H](C)OC(=O)NC(C)(C)C)c1 ZINC000005551399 564070602 /nfs/dbraw/zinc/07/06/02/564070602.db2.gz RHCDFEYQNFOXJM-GFCCVEGCSA-N 0 0 335.473 3.745 40 30 EHEBRN C=C(C)CNC(=S)Nc1cccc(NC(=S)NCC(=C)C)c1C ZINC000006265991 564070690 /nfs/dbraw/zinc/07/06/90/564070690.db2.gz CTTQJPQJZQIPBX-UHFFFAOYSA-N 0 0 348.541 3.720 40 30 EHEBRN CC(C)Oc1ccccc1CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000006539053 564129815 /nfs/dbraw/zinc/12/98/15/564129815.db2.gz SYJIHCVBAJHUAE-LICLKQGHSA-N 0 0 344.327 3.736 40 30 EHEBRN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C#N)[C@H]2c2cccc(Cl)c2)cc1 ZINC000252515099 564133811 /nfs/dbraw/zinc/13/38/11/564133811.db2.gz HABCYFGCFVRUEK-GVDBMIGSSA-N 0 0 331.824 3.728 40 30 EHEBRN Cc1sc(NC(=S)NC(=O)c2cccc(F)c2)c(C#N)c1C ZINC000009140951 564134197 /nfs/dbraw/zinc/13/41/97/564134197.db2.gz AMNXIDTZIIRBHY-UHFFFAOYSA-N 0 0 333.413 3.503 40 30 EHEBRN CC(C)(C)Nc1nc(Nc2cccc(C#N)c2)cc(-c2ccccn2)n1 ZINC000329062894 564137641 /nfs/dbraw/zinc/13/76/41/564137641.db2.gz WZXWVCXZLWVQOW-UHFFFAOYSA-N 0 0 344.422 3.786 40 30 EHEBRN N#C[C@@H]1[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218651943 564160545 /nfs/dbraw/zinc/16/05/45/564160545.db2.gz RWSGWXTVJVYKEN-PMPSAXMXSA-N 0 0 335.787 3.559 40 30 EHEBRN C=CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000100056092 219089711 /nfs/dbraw/zinc/08/97/11/219089711.db2.gz HFSDCGQZBRMPPA-NCYKPQTJSA-N 0 0 343.426 3.911 40 30 EHEBRN Cc1ccc(NC(=S)N/N=C2\C(=O)[C@@]3(C)CC[C@@H]2C3(C)C)cc1 ZINC000004018166 210102154 /nfs/dbraw/zinc/10/21/54/210102154.db2.gz MRIMEGOJEOGCCJ-GEMYQWMFSA-N 0 0 329.469 3.663 40 30 EHEBRN CC=CC=CC(=O)[C@@H]1c2cccc(O)c2C(=O)c2c(O)cc(C)cc21 ZINC000104290579 219370398 /nfs/dbraw/zinc/37/03/98/219370398.db2.gz DTKWQCFDNRPDGR-CQUCUTOWSA-N 0 0 334.371 3.784 40 30 EHEBRN Cc1ccc(COc2nn(Cc3ccccc3C)c(N)c2C#N)cc1 ZINC000225844447 242060436 /nfs/dbraw/zinc/06/04/36/242060436.db2.gz BZGNGTYJEQQALC-UHFFFAOYSA-N 0 0 332.407 3.581 40 30 EHEBRN CCCO[C@](C)(C(=O)Nc1ccc(OC(C)C)c(C#N)c1)C1CC1 ZINC000225858301 242065167 /nfs/dbraw/zinc/06/51/67/242065167.db2.gz QXCMXODJCVPXJQ-IBGZPJMESA-N 0 0 330.428 3.879 40 30 EHEBRN COc1ccc2c(c1)O[C@@H](C)C/C2=N\OC(=O)c1ccc(F)cc1 ZINC000021006055 212199525 /nfs/dbraw/zinc/19/95/25/212199525.db2.gz PHYMGDVPYAKNGY-NABPABCNSA-N 0 0 329.327 3.566 40 30 EHEBRN CC(=C=CC1=CCCCC1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016951793 211942101 /nfs/dbraw/zinc/94/21/01/211942101.db2.gz YWUOEQGTJNOVPT-SFQUDFHCSA-N 0 0 328.328 3.795 40 30 EHEBRN N#Cc1c(=O)n(Cc2ccco2)c(-c2ccccc2)c2c1CCCC2 ZINC000095117567 218281462 /nfs/dbraw/zinc/28/14/62/218281462.db2.gz FVECDASZBHIOFR-UHFFFAOYSA-N 0 0 330.387 3.907 40 30 EHEBRN COc1cc(Br)c(C(=O)/C=C/c2ccco2)cc1OC ZINC000005320460 210437606 /nfs/dbraw/zinc/43/76/06/210437606.db2.gz QAMYPWKVKJDWKG-AATRIKPKSA-N 0 0 337.169 3.955 40 30 EHEBRN Cc1ccc(S(=O)(=O)O[C@H]2CCC[C@H]3CC(=O)CC[C@@]32C)cc1 ZINC000004963717 210341870 /nfs/dbraw/zinc/34/18/70/210341870.db2.gz ZGICQDYFNFBHKT-WBAXXEDZSA-N 0 0 336.453 3.628 40 30 EHEBRN C/C(=N/O)C1=CC[C@H]2[C@@H]3CC=C4C[C@H](O)C[C@@H](O)[C@]4(C)[C@H]3CC[C@]12C ZINC000118914871 221203087 /nfs/dbraw/zinc/20/30/87/221203087.db2.gz XETDBTMQGVJJOY-QKHXUENZSA-N 0 0 345.483 3.667 40 30 EHEBRN CCOc1ccccc1/N=C\c1ccc(N2CCOCC2)c(F)c1 ZINC000409133186 257877828 /nfs/dbraw/zinc/87/78/28/257877828.db2.gz PBAVPKPTVXECLI-STZFKDTASA-N 0 0 328.387 3.812 40 30 EHEBRN Brc1cccc(/N=C/c2ccc(N3CCOCC3)o2)c1 ZINC000409014506 257882382 /nfs/dbraw/zinc/88/23/82/257882382.db2.gz PWXFBQHEEPJNAJ-GZTJUZNOSA-N 0 0 335.201 3.629 40 30 EHEBRN C=C[C@H](C)N1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O ZINC000408961326 257885283 /nfs/dbraw/zinc/88/52/83/257885283.db2.gz ROGAIJWJGRREJL-WIOAZZGGSA-N 0 0 328.437 3.898 40 30 EHEBRN Cc1ccccc1/N=C\c1cc(Br)c(N2CCOCC2)o1 ZINC000408852435 257887620 /nfs/dbraw/zinc/88/76/20/257887620.db2.gz FSXSYOJBBWRMBQ-WQRHYEAKSA-N 0 0 349.228 3.938 40 30 EHEBRN CC1=NN(c2ccccc2)C(=O)C1=CNN=c1ccc2ccccc2[nH]1 ZINC000408743215 257889616 /nfs/dbraw/zinc/88/96/16/257889616.db2.gz ZQSZAZYUPLURRL-RSZPVBOMSA-N 0 0 343.390 3.671 40 30 EHEBRN COc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1C(C)C ZINC000408678068 257893129 /nfs/dbraw/zinc/89/31/29/257893129.db2.gz DXIKQSJLASHZCK-UHFFFAOYSA-N 0 0 344.436 3.685 40 30 EHEBRN C=CCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2OC)cc1 ZINC000014039204 257859204 /nfs/dbraw/zinc/85/92/04/257859204.db2.gz CPOWQLXGCDDXNE-AWEZNQCLSA-N 0 0 327.380 3.666 40 30 EHEBRN c1cc(CN=Nc2nnc(N=NCc3ccoc3)c3ccccc32)co1 ZINC000016525485 518377783 /nfs/dbraw/zinc/37/77/83/518377783.db2.gz MVCHWUUJZVGNSE-LQGKIZFRSA-N 0 0 346.350 3.708 40 30 EHEBRN C=CCSc1nnc(NC(=O)Cc2ccccc2Cl)s1 ZINC000007594206 519086781 /nfs/dbraw/zinc/08/67/81/519086781.db2.gz QSFOMDUNKCTFFF-UHFFFAOYSA-N 0 0 325.846 3.651 40 30 EHEBRN O=C(/C=C\Sc1nnnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000016523808 527652289 /nfs/dbraw/zinc/65/22/89/527652289.db2.gz HHHGMXCYFDTIIE-KHPPLWFESA-N 0 0 342.811 3.804 40 30 EHEBRN COC1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCC(C)CC1 ZINC000225810912 536543946 /nfs/dbraw/zinc/54/39/46/536543946.db2.gz DGCUDJYNAUMIEC-UHFFFAOYSA-N 0 0 330.428 3.879 40 30 EHEBRN C=CC[C@]1([C@@H](C)Cc2ccc(OC)c(OC)c2)C[C@H](OC)C=CC1=O ZINC000006437274 563568096 /nfs/dbraw/zinc/56/80/96/563568096.db2.gz SXYIUOZJZREGSK-LUQKVYGDSA-N 0 0 344.451 3.989 40 30 EHEBRN CCCCCCCCCCNC(=O)C(=O)NCc1ccccc1OC ZINC000408707086 563595046 /nfs/dbraw/zinc/59/50/46/563595046.db2.gz JLSJUEHRTLNPIH-UHFFFAOYSA-N 0 0 348.487 3.568 40 30 EHEBRN Cc1ccc2c(c1)/C(=C/C(=O)c1cccc(Br)c1)C(=O)N2 ZINC000015016457 563772796 /nfs/dbraw/zinc/77/27/96/563772796.db2.gz UAZFSCSWCDWVCA-ZROIWOOFSA-N 0 0 342.192 3.976 40 30 EHEBRN COc1ccc(C(=O)C=C(C)Nc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000032100356 563913485 /nfs/dbraw/zinc/91/34/85/563913485.db2.gz LRGUVYGTROYOHS-ZRDIBKRKSA-N 0 0 342.351 3.811 40 30 EHEBRN Cc1ccc2c(c1)C(=NNc1ccc(Br)cc1)C(=O)N2 ZINC000059947646 563949477 /nfs/dbraw/zinc/94/94/77/563949477.db2.gz ZJVGMYMTHBFULD-UHFFFAOYSA-N 0 0 330.185 3.526 40 30 EHEBRN C=CCOc1ccc(C(=O)NCCOc2ccccc2Cl)cc1 ZINC000224637964 563994465 /nfs/dbraw/zinc/99/44/65/563994465.db2.gz UNTNZUQWNAMZNU-UHFFFAOYSA-N 0 0 331.799 3.714 40 30 EHEBRN C=CCN(c1cc(C)ccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225017247 563995462 /nfs/dbraw/zinc/99/54/62/563995462.db2.gz OLZPAARBUVHWTF-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN C=CCOc1ccc(NC(=S)NCCCOC2CCCC2)cc1 ZINC000225620547 563995948 /nfs/dbraw/zinc/99/59/48/563995948.db2.gz MLJQBLNMKOCITE-UHFFFAOYSA-N 0 0 334.485 3.887 40 30 EHEBRN CC1(C)Oc2ccc3ccc(=O)oc3c2CC1N=Nc1ccccc1 ZINC000000296233 563996735 /nfs/dbraw/zinc/99/67/35/563996735.db2.gz GZCNHFCMOYRPJE-OQKWZONESA-N 0 0 334.375 3.975 40 30 EHEBRN O=[N+]([O-])c1cccnc1N=NCc1ccc(N2CCCCC2)cc1F ZINC000409071717 564009495 /nfs/dbraw/zinc/00/94/95/564009495.db2.gz PRPHZTAWPJTNFT-UDWIEESQSA-N 0 0 343.362 3.565 40 30 EHEBRN COc1cc2c(cc1/C=N\c1ccc(Cl)c([N+](=O)[O-])c1)OCO2 ZINC000409095730 564009809 /nfs/dbraw/zinc/00/98/09/564009809.db2.gz IMJNNCZSGDZCMK-IDUWFGFVSA-N 0 0 334.715 3.736 40 30 EHEBRN Cc1ccc(NC(=O)COc2ccc(/C=N\O)cc2Cl)cc1C ZINC000409248355 564011322 /nfs/dbraw/zinc/01/13/22/564011322.db2.gz FRLBFFRWGZLDCI-OCKHKDLRSA-N 0 0 332.787 3.782 40 30 EHEBRN Cc1cc(CO)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1 ZINC000034504202 564013595 /nfs/dbraw/zinc/01/35/95/564013595.db2.gz QYMDCCDRTJHJIB-UHFFFAOYSA-N 0 0 345.406 3.945 40 30 EHEBRN C#CCOc1ccc(/C=N/NCc2ccccc2Cl)cc1OCC ZINC000008811902 564017012 /nfs/dbraw/zinc/01/70/12/564017012.db2.gz UKTUABYRKGXVHP-FYJGNVAPSA-N 0 0 342.826 3.874 40 30 EHEBRN C=CCc1cc(C(=O)Nc2ccc(C(=O)OCC)cc2)ccc1OC ZINC000014400088 564022392 /nfs/dbraw/zinc/02/23/92/564022392.db2.gz SJGVXBXQIUKPLG-UHFFFAOYSA-N 0 0 339.391 3.853 40 30 EHEBRN COc1ccc(CN/N=C(\C)c2cc(Cl)ccc2OC)cc1OC ZINC000216058058 564033767 /nfs/dbraw/zinc/03/37/67/564033767.db2.gz XMYCAMRCNJRNAP-CIAFOILYSA-N 0 0 348.830 3.880 40 30 EHEBRN C[C@@H](COc1ccccc1)NC(=S)Nc1ccc(CC#N)cc1 ZINC000225782298 564049723 /nfs/dbraw/zinc/04/97/23/564049723.db2.gz XVKYKWPCPYXVDA-AWEZNQCLSA-N 0 0 325.437 3.507 40 30 EHEBRN C=C1C(=O)O[C@@H]2/C=C(\C)C[C@@H]3C=C(CC/C=C(\C)CC[C@@H]12)C(=O)O3 ZINC000031155722 564049958 /nfs/dbraw/zinc/04/99/58/564049958.db2.gz KTYZKXFERQUCPX-ADPHXWINSA-N 0 0 328.408 3.793 40 30 biogenic,in-vitro EHEBRN Cc1sc(N=NCc2ccc3c(c2)OCO3)nc1-c1ccccc1 ZINC000059193911 564050467 /nfs/dbraw/zinc/05/04/67/564050467.db2.gz GCURSKGEUHFZBS-VXLYETTFSA-N 0 0 337.404 3.715 40 30 EHEBRN O=CC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000064033608 564051046 /nfs/dbraw/zinc/05/10/46/564051046.db2.gz TUSOHIVVKREBMF-UHFFFAOYSA-N 0 0 335.403 3.846 40 30 EHEBRN C#CCCCCCCCCCCC[C@@H](C[C@@H](O)CO)OC(C)=O ZINC000015270291 564060161 /nfs/dbraw/zinc/06/01/61/564060161.db2.gz FHGZOCAZNHYWAL-MOPGFXCFSA-N 0 0 326.477 3.586 40 30 endogenous,in-man EHEBRN O=C1Nc2c(O)cc(Cl)cc2[C@](C#CC2CC2)(C(F)(F)F)O1 ZINC000006524420 564070776 /nfs/dbraw/zinc/07/07/76/564070776.db2.gz OOVOMPCQLMFEDT-CYBMUJFWSA-N 0 0 331.677 3.779 40 30 EHEBRN Cn1c2ccccc2nc1NN=Cc1cccc(Br)c1 ZINC000007343379 564126634 /nfs/dbraw/zinc/12/66/34/564126634.db2.gz SZDIBQCZIJOXDL-LICLKQGHSA-N 0 0 329.201 3.782 40 30 EHEBRN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OC ZINC000007008929 564129865 /nfs/dbraw/zinc/12/98/65/564129865.db2.gz UWNVKTUMQINOLV-ZVBGSRNCSA-N 0 0 339.317 3.954 40 30 EHEBRN CCNC(=S)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C ZINC000033654489 564129895 /nfs/dbraw/zinc/12/98/95/564129895.db2.gz NEOFEFVJZVPCGY-VXLYETTFSA-N 0 0 334.876 3.565 40 30 EHEBRN Cc1ccc2nc(SCC(=O)N3CCC(C)CC3)c(C#N)cc2c1 ZINC000000411952 564133177 /nfs/dbraw/zinc/13/31/77/564133177.db2.gz QQVDDJUPWWDNDL-UHFFFAOYSA-N 0 0 339.464 3.766 40 30 EHEBRN Cc1ccc2cc(C#N)c(SCC(=O)NC3CCCC3)nc2c1 ZINC000000411036 564133188 /nfs/dbraw/zinc/13/31/88/564133188.db2.gz ICNYKLAMEMNHFP-UHFFFAOYSA-N 0 0 325.437 3.566 40 30 EHEBRN Cc1ccc2nc(SCC(=O)N3CCC[C@H](C)C3)c(C#N)cc2c1 ZINC000000422236 564133221 /nfs/dbraw/zinc/13/32/21/564133221.db2.gz YESGCRIHYOOEET-AWEZNQCLSA-N 0 0 339.464 3.766 40 30 EHEBRN N#Cc1nn(-c2cccc(C(F)(F)F)c2)nc1N1CCCCCC1 ZINC000256046345 564134672 /nfs/dbraw/zinc/13/46/72/564134672.db2.gz FJRNLWCCDMVUEG-UHFFFAOYSA-N 0 0 335.333 3.538 40 30 EHEBRN CC[C@H]1CCCCN1c1nn(-c2ccccc2C(F)(F)F)nc1C#N ZINC000256047245 564134706 /nfs/dbraw/zinc/13/47/06/564134706.db2.gz LJJDQOZMFAGEQE-LBPRGKRZSA-N 0 0 349.360 3.927 40 30 EHEBRN N#C[C@H]1[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000225668032 564134895 /nfs/dbraw/zinc/13/48/95/564134895.db2.gz RWSGWXTVJVYKEN-ARFHVFGLSA-N 0 0 335.787 3.559 40 30 EHEBRN CC(C)(C)Nc1nc(Nc2ccccc2C#N)cc(-c2ccncc2)n1 ZINC000329023416 564137603 /nfs/dbraw/zinc/13/76/03/564137603.db2.gz OSYYRUPZRUQWPO-UHFFFAOYSA-N 0 0 344.422 3.786 40 30 EHEBRN Cc1ccc(S(=O)(=O)[C@@H]2[C@H](C#N)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000242648505 564162204 /nfs/dbraw/zinc/16/22/04/564162204.db2.gz QXSVQYIHIIZGRS-BRWVUGGUSA-N 0 0 331.824 3.728 40 30 EHEBRN Cc1nc(N=NCc2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)n1 ZINC000004595533 210229693 /nfs/dbraw/zinc/22/96/93/210229693.db2.gz RCLKMTVQQPMBEI-XDHOZWIPSA-N 0 0 333.351 3.806 40 30 EHEBRN COc1ccc(/C=C2/CC[C@@H]3[C@H](CCCC34OCCO4)C2=O)cc1 ZINC000061953016 214688959 /nfs/dbraw/zinc/68/89/59/214688959.db2.gz VTTUERHBIOYDLZ-NVONSHMUSA-N 0 0 328.408 3.601 40 30 EHEBRN CCCCCCCn1nc(Br)nc1Br ZINC000100412929 219098092 /nfs/dbraw/zinc/09/80/92/219098092.db2.gz VHFPYVIUNDJTAW-UHFFFAOYSA-N 0 0 325.048 3.774 40 30 EHEBRN O=c1[nH]c2ccc(/N=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2[nH]1 ZINC000101663011 219153603 /nfs/dbraw/zinc/15/36/03/219153603.db2.gz DLUSDPXHELUGQI-VXLYETTFSA-N 0 0 348.318 3.775 40 30 EHEBRN COC(=O)[C@@H]1C(=O)C=C(c2ccccc2)C[C@H]1c1ccc(N(C)C)cc1 ZINC000068602773 215321164 /nfs/dbraw/zinc/32/11/64/215321164.db2.gz IXNYZELJOUJEOT-FPOVZHCZSA-N 0 0 349.430 3.682 40 30 EHEBRN CC1=C/C(=N/c2cccc3c(/N=C4/C=C(C)C(=O)O4)cccc23)OC1=O ZINC000104392515 219383399 /nfs/dbraw/zinc/38/33/99/219383399.db2.gz ZAVKPEYNHNIRKS-SVJWQLCWSA-N 0 0 346.342 3.906 40 30 EHEBRN COc1cc(C#N)ccc1OC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000039954309 213244939 /nfs/dbraw/zinc/24/49/39/213244939.db2.gz YHNZODQKFOEGBT-OAHLLOKOSA-N 0 0 346.427 3.593 40 30 EHEBRN Cc1ccc2c(c1)/C(=N/[O-])C(=O)N2CCOc1cccc2ccccc21 ZINC000039853941 213241918 /nfs/dbraw/zinc/24/19/18/213241918.db2.gz BOQJXYBRAYXQNK-XDOYNYLZSA-N 0 0 346.386 3.752 40 30 EHEBRN C#CCOC(=O)c1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 ZINC000216809738 241212484 /nfs/dbraw/zinc/21/24/84/241212484.db2.gz XFGMNRYOEWKVLB-UHFFFAOYSA-N 0 0 348.757 3.857 40 30 EHEBRN C#CCOC(=O)c1ccc(OCc2cccc(F)c2)c(OCC)c1 ZINC000216821548 241212701 /nfs/dbraw/zinc/21/27/01/241212701.db2.gz AEKRCFOPGNBHTI-UHFFFAOYSA-N 0 0 328.339 3.593 40 30 EHEBRN CCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)cc1C#N ZINC000225834661 242057342 /nfs/dbraw/zinc/05/73/42/242057342.db2.gz HBBWDTVROXPYQT-UHFFFAOYSA-N 0 0 330.428 3.881 40 30 EHEBRN Cc1cc(C)nc(Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)n1 ZINC000225914519 242077590 /nfs/dbraw/zinc/07/75/90/242077590.db2.gz MAGAQPFSAKLNEK-UHFFFAOYSA-N 0 0 343.390 3.961 40 30 EHEBRN N#Cc1cn(C(=O)c2ccc(Br)cc2)c2ccccc12 ZINC000226361451 242101959 /nfs/dbraw/zinc/10/19/59/242101959.db2.gz NHLCMQAUGSMVJI-UHFFFAOYSA-N 0 0 325.165 3.964 40 30 EHEBRN COc1ccc(/C=N/c2ccc3c(c2)OCO3)cc1Br ZINC000018170081 211985460 /nfs/dbraw/zinc/98/54/60/211985460.db2.gz SXADJLSWSCEJII-CAOOACKPSA-N 0 0 334.169 3.937 40 30 EHEBRN Cc1cc(C)n(-c2nnc(C)n2/N=C/c2ccc(C(C)(C)C)cc2)n1 ZINC000015016328 211789702 /nfs/dbraw/zinc/78/97/02/211789702.db2.gz ZWVOPTJTGXCHBL-UDWIEESQSA-N 0 0 336.443 3.569 40 30 EHEBRN C=CC[C@]1(C(=O)OCC)CCCN(C(=O)OCc2ccccc2)C1 ZINC000090735429 217951224 /nfs/dbraw/zinc/95/12/24/217951224.db2.gz UNCPFQLCMLNOSJ-IBGZPJMESA-N 0 0 331.412 3.545 40 30 EHEBRN Oc1ccccc1/C=N/NC(=S)Nc1cccc(C(F)(F)F)c1 ZINC000008125113 210897287 /nfs/dbraw/zinc/89/72/87/210897287.db2.gz MZCGSFBDECBFMM-DJKKODMXSA-N 0 0 339.342 3.732 40 30 EHEBRN C=CCSc1nsc(NC(=O)Nc2ccc(F)cc2F)n1 ZINC000004898397 210316367 /nfs/dbraw/zinc/31/63/67/210316367.db2.gz ZSEGABWUJLTOFK-UHFFFAOYSA-N 0 0 328.369 3.738 40 30 EHEBRN C=CCOc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1 ZINC000409249324 257873169 /nfs/dbraw/zinc/87/31/69/257873169.db2.gz TUBGTVRJCAEMDM-CPNJWEJPSA-N 0 0 348.402 3.653 40 30 EHEBRN C#CCOc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1 ZINC000409033589 257882146 /nfs/dbraw/zinc/88/21/46/257882146.db2.gz FQDIZQNNKTZICJ-GDNBJRDFSA-N 0 0 331.462 3.556 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)s1 ZINC000039989286 519088946 /nfs/dbraw/zinc/08/89/46/519088946.db2.gz YJDZYKLIXPOMAH-LBPRGKRZSA-N 0 0 349.481 3.839 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@H](C)Sc2ccccc2)s1 ZINC000021577593 519089134 /nfs/dbraw/zinc/08/91/34/519089134.db2.gz OWVLCNSAFTWQEV-JTQLQIEISA-N 0 0 337.495 3.936 40 30 EHEBRN CCOc1cc(C=Nc2nc[nH]n2)ccc1OCc1ccc(F)cc1 ZINC000016689097 520645054 /nfs/dbraw/zinc/64/50/54/520645054.db2.gz OCWAFJXNRWUFDE-KEBDBYFISA-N 0 0 340.358 3.672 40 30 EHEBRN COc1ccc(CN/N=C/c2cccc(OC(C)C)c2)cc1OC ZINC000020196375 524017800 /nfs/dbraw/zinc/01/78/00/524017800.db2.gz NEVNXCHNQPKLRC-UDWIEESQSA-N 0 0 328.412 3.615 40 30 EHEBRN N=C(N=NC(Nc1ccccc1)Nc1ccccc1)Nc1ccccc1 ZINC000017301110 526828260 /nfs/dbraw/zinc/82/82/60/526828260.db2.gz WYFOIWXXMVXQLI-UHFFFAOYSA-N 0 0 344.422 3.927 40 30 EHEBRN O=[N+]([O-])c1ccccc1/C=C/C=N/c1ccc(N2CCOCC2)cc1 ZINC000003118204 527396424 /nfs/dbraw/zinc/39/64/24/527396424.db2.gz DPPGZVDGRVFVAJ-YWYWFQEUSA-N 0 0 337.379 3.847 40 30 EHEBRN CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OC ZINC000408588444 563486578 /nfs/dbraw/zinc/48/65/78/563486578.db2.gz BOGOHIZTDNBNHI-WOJGMQOQSA-N 0 0 330.340 3.553 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005167164 563521652 /nfs/dbraw/zinc/52/16/52/563521652.db2.gz QRDYCDIUGUAUBZ-SRWWVFQWSA-N 0 0 330.468 3.694 40 30 EHEBRN N#CC(=NNc1ccccc1Br)c1nc2ccccc2[nH]1 ZINC000005595139 563541761 /nfs/dbraw/zinc/54/17/61/563541761.db2.gz VCTFDGKDPXUGFH-KGENOOAVSA-N 0 0 340.184 3.665 40 30 EHEBRN CC/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(C)c(C)c1 ZINC000005640221 563543596 /nfs/dbraw/zinc/54/35/96/563543596.db2.gz ZLDBUXUWUXNOJS-VHEBQXMUSA-N 0 0 330.453 3.704 40 30 EHEBRN CC/C(=N/N=C1/S[C@@H](C)C(=O)N1Cc1ccco1)c1ccccc1 ZINC000013120012 563688505 /nfs/dbraw/zinc/68/85/05/563688505.db2.gz IOQGCFQJRDDVBG-BXLCXSQTSA-N 0 0 341.436 3.914 40 30 EHEBRN c1coc(C2=NC(=Nc3nc4ccccc4[nH]3)N=C2c2ccco2)c1 ZINC000013285070 563694189 /nfs/dbraw/zinc/69/41/89/563694189.db2.gz FWMYHFPEOPHIIY-UHFFFAOYSA-N 0 0 329.319 3.729 40 30 EHEBRN O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccccc1O ZINC000016448925 563811691 /nfs/dbraw/zinc/81/16/91/563811691.db2.gz UXYGAZDQRNEXDP-NTEUORMPSA-N 0 0 330.796 3.937 40 30 EHEBRN COc1cc(/C=N\N=C(/C)c2ccc(F)cc2)cc(OC)c1OC ZINC000017023443 563828889 /nfs/dbraw/zinc/82/88/89/563828889.db2.gz MHSJXUSWGFJHBC-WELBJSHPSA-N 0 0 330.359 3.695 40 30 EHEBRN CC=Cc1ccccc1CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000033368749 563915988 /nfs/dbraw/zinc/91/59/88/563915988.db2.gz QYVIXEGCYVRHGB-NBSDZRLYSA-N 0 0 326.312 3.982 40 30 EHEBRN C(=[NH+][N-]c1nc2ccccc2s1)c1ccc(N2CCOCC2)s1 ZINC000007894738 564006905 /nfs/dbraw/zinc/00/69/05/564006905.db2.gz IWQQGEDXBMLBGA-GZTJUZNOSA-N 0 0 344.465 3.640 40 30 EHEBRN Oc1ccc(/C=N/Cc2ccccc2)cc1I ZINC000408903994 564007907 /nfs/dbraw/zinc/00/79/07/564007907.db2.gz CCSSTKPBTWLBOL-MHWRWJLKSA-N 0 0 337.160 3.616 40 30 EHEBRN Cc1ccc(-n2cccc2CN=Nc2ncccc2[N+](=O)[O-])cc1C ZINC000409073183 564009533 /nfs/dbraw/zinc/00/95/33/564009533.db2.gz XYRKVBTXPAONCU-UDWIEESQSA-N 0 0 335.367 3.843 40 30 EHEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCC)c(OCC)c2)C1=O ZINC000409089351 564009704 /nfs/dbraw/zinc/00/97/04/564009704.db2.gz MCMQPNLCDQAJFK-RVDMUPIBSA-N 0 0 333.409 3.706 40 30 EHEBRN CC(C)Oc1ccc(CN=Nc2ncccc2[N+](=O)[O-])cc1Cl ZINC000409096186 564009839 /nfs/dbraw/zinc/00/98/39/564009839.db2.gz JCOYVQMLMOFAHV-GIJQJNRQSA-N 0 0 334.763 3.876 40 30 EHEBRN CC[C@H](C)N1C(=O)S/C(=C/c2cn(CC#N)c3ccccc23)C1=O ZINC000409382568 564011947 /nfs/dbraw/zinc/01/19/47/564011947.db2.gz UDGWFMAXVZTSAT-SEJMYLSOSA-N 0 0 339.420 4.000 40 30 EHEBRN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cccc(O)c1 ZINC000409403002 564012036 /nfs/dbraw/zinc/01/20/36/564012036.db2.gz KDIPRNQNOMSPQY-UHFFFAOYSA-N 0 0 341.370 3.651 40 30 EHEBRN COc1ccc(C(=O)C=CNc2cc([N+](=O)[O-])ccc2C)cc1OC ZINC000100570556 564012916 /nfs/dbraw/zinc/01/29/16/564012916.db2.gz IKIOEUOVVJBDMN-HJWRWDBZSA-N 0 0 342.351 3.729 40 30 EHEBRN N#CCOc1ccc(C=C2SC(Nc3ccccc3)=NC2=O)cc1 ZINC000007919091 564015815 /nfs/dbraw/zinc/01/58/15/564015815.db2.gz DPDGEMYXQLTSCA-VBKFSLOCSA-N 0 0 335.388 3.671 40 30 EHEBRN CSc1ccc([C@@H]2C3C(=O)C[C@@H](C)CC3=Nc3nc(C)nn32)cc1 ZINC000014608135 564023622 /nfs/dbraw/zinc/02/36/22/564023622.db2.gz COMDLVGFFATOJH-DYZYQPBXSA-N 0 0 340.452 3.576 40 30 EHEBRN COc1ccccc1CN/N=C/c1ccc(C)c(Br)c1 ZINC000020762038 564033415 /nfs/dbraw/zinc/03/34/15/564033415.db2.gz YDZFDNPCZWQSAA-VCHYOVAHSA-N 0 0 333.229 3.890 40 30 EHEBRN C/C(=N\NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccccn1 ZINC000008125152 564034732 /nfs/dbraw/zinc/03/47/32/564034732.db2.gz YNAUYJICXVBSMW-UFFVCSGVSA-N 0 0 338.358 3.811 40 30 EHEBRN Cc1ccc(C(C)N=Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)o1 ZINC000059098969 564050388 /nfs/dbraw/zinc/05/03/88/564050388.db2.gz FHKJZFZNICQWSI-WOJGMQOQSA-N 0 0 342.380 3.878 40 30 EHEBRN CC/N=C1\S/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1CC ZINC000059104986 564050442 /nfs/dbraw/zinc/05/04/42/564050442.db2.gz BSYCDSMKEYRGDH-PIVKVMHHSA-N 0 0 329.469 3.599 40 30 EHEBRN C[C@@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)CNc1ccc(C#N)cc1 ZINC000332514317 564052434 /nfs/dbraw/zinc/05/24/34/564052434.db2.gz WFPSVXPNJCJXNA-KGLIPLIRSA-N 0 0 337.398 3.644 40 30 EHEBRN Cc1[nH]c2ccccc2c1CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005378269 564060906 /nfs/dbraw/zinc/06/09/06/564060906.db2.gz CJWUHXOCFZOHAY-RQZCQDPDSA-N 0 0 339.311 3.739 40 30 EHEBRN N#Cc1cc(Br)cc(Cl)c1I ZINC000015443811 564062108 /nfs/dbraw/zinc/06/21/08/564062108.db2.gz IBXCHLAUBNJQHQ-UHFFFAOYSA-N 0 0 342.361 3.579 40 30 EHEBRN CC[C@@H](C)Sc1nc(N)c(C#N)c(COc2ccc(C)cc2)n1 ZINC000223686540 564081817 /nfs/dbraw/zinc/08/18/17/564081817.db2.gz IRMRFBQFOZTDGQ-GFCCVEGCSA-N 0 0 328.441 3.709 40 30 EHEBRN C=C1C(=O)O[C@H]2/C=C(\C)C[C@H]3C=C(CC/C=C(\C)CC[C@H]12)C(=O)O3 ZINC000169652493 564097618 /nfs/dbraw/zinc/09/76/18/564097618.db2.gz KTYZKXFERQUCPX-BDGBWFNBSA-N 0 0 328.408 3.793 40 30 biogenic,in-vitro EHEBRN COc1cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)ccc1O ZINC000408979695 564133664 /nfs/dbraw/zinc/13/36/64/564133664.db2.gz OBXBLDPIYVQNCK-UHFFFAOYSA-N 0 0 331.375 3.722 40 30 EHEBRN Cc1ccc(-n2nc(C#N)c(N3CC[C@H](c4ccccc4)C3)n2)c(C)c1 ZINC000256046046 564134670 /nfs/dbraw/zinc/13/46/70/564134670.db2.gz CIYOQTBZRWXYAW-SFHVURJKSA-N 0 0 343.434 3.750 40 30 EHEBRN COc1ccc(/N=C2\NC(=O)/C(=C\C=C\c3ccco3)S2)cc1 ZINC000013120447 564136018 /nfs/dbraw/zinc/13/60/18/564136018.db2.gz FBEAFECLSJNFGP-XEXQVEHGSA-N 0 0 326.377 3.736 40 30 EHEBRN N#CC1(c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)CC1 ZINC000222971300 1137881150 /nfs/dbraw/zinc/88/11/50/1137881150.db2.gz NPNVAEFKKUUAMR-UHFFFAOYSA-N 0 0 326.783 3.913 40 30 EHEBRN COc1ccc(O)c(/C=C2\C(=O)ON=C2c2cccc3ccccc32)c1 ZINC000055253244 214296981 /nfs/dbraw/zinc/29/69/81/214296981.db2.gz UGDDHQUEBYPXSD-PDGQHHTCSA-N 0 0 345.354 3.899 40 30 EHEBRN C=CCOc1cccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000055723852 214339538 /nfs/dbraw/zinc/33/95/38/214339538.db2.gz GFRONPPIGBNVIR-UHFFFAOYSA-N 0 0 336.391 3.631 40 30 EHEBRN O=C(c1ccccc1)C1(C(=O)c2ccccc2)/C(=N\O)[C@H]2CC[C@@H]1C2 ZINC000104117029 219348299 /nfs/dbraw/zinc/34/82/99/219348299.db2.gz ZUQYVXPKGUCPHN-RLFRPXQUSA-N 0 0 333.387 3.999 40 30 EHEBRN O=C1N/C(=N/c2ccc(O)cc2)S/C1=C/c1c[nH]c2ccccc12 ZINC000002428744 209849190 /nfs/dbraw/zinc/84/91/90/209849190.db2.gz FDROHGNBKPFIAH-CXUHLZMHSA-N 0 0 335.388 3.765 40 30 EHEBRN N#Cc1c(N)n(-c2cc(F)ccc2F)nc1-c1ccc(F)cc1F ZINC000039955417 213245871 /nfs/dbraw/zinc/24/58/71/213245871.db2.gz ZSBMBISUOJCARB-UHFFFAOYSA-N 0 0 332.260 3.550 40 30 EHEBRN CCOc1ccc2cc(C#N)c(SCC(=O)OC(C)C)nc2c1 ZINC000001354920 209730152 /nfs/dbraw/zinc/73/01/52/209730152.db2.gz MJLABVKYVZTTRR-UHFFFAOYSA-N 0 0 330.409 3.549 40 30 EHEBRN C/N=C1\S/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)N1C ZINC000073139024 216355280 /nfs/dbraw/zinc/35/52/80/216355280.db2.gz MITOBZMRUVMHDK-XXUJCTABSA-N 0 0 343.427 3.765 40 30 EHEBRN C=CCNC(=O)c1ccccc1NC(=O)CCSc1ccccc1 ZINC000022614211 212311198 /nfs/dbraw/zinc/31/11/98/212311198.db2.gz IXQBQOGGAVPKSI-UHFFFAOYSA-N 0 0 340.448 3.723 40 30 EHEBRN N#Cc1c(N)n(Cc2ccccc2)nc1OCc1ccc(Cl)cc1 ZINC000225838909 242059484 /nfs/dbraw/zinc/05/94/84/242059484.db2.gz FDCFGGWXOLTGPI-UHFFFAOYSA-N 0 0 338.798 3.618 40 30 EHEBRN Cc1ccc(Cn2nc(OCc3ccccc3C)c(C#N)c2N)cc1 ZINC000225846090 242060967 /nfs/dbraw/zinc/06/09/67/242060967.db2.gz CHBXWZUOUNFCDJ-UHFFFAOYSA-N 0 0 332.407 3.581 40 30 EHEBRN CCSc1nc2n(n1)[C@@H](c1ccccc1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000019959533 212090362 /nfs/dbraw/zinc/09/03/62/212090362.db2.gz KAJSZAIPIVIDFZ-ZBEGNZNMSA-N 0 0 340.452 3.658 40 30 EHEBRN C=CCNC(=S)Nc1cccc(OC(=O)NC2CCCCC2)c1 ZINC000005498638 210475599 /nfs/dbraw/zinc/47/55/99/210475599.db2.gz ZTRPRJPCUXZVDH-UHFFFAOYSA-N 0 0 333.457 3.580 40 30 EHEBRN C=CCNc1c(C)c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn21 ZINC000004966207 210341423 /nfs/dbraw/zinc/34/14/23/210341423.db2.gz PUXICCPHCNVULT-UHFFFAOYSA-N 0 0 338.411 3.628 40 30 EHEBRN Cn1c2ccccc2s/c1=N\N=C\c1ccccc1Br ZINC000100265922 257870130 /nfs/dbraw/zinc/87/01/30/257870130.db2.gz ZFNXDMXHLTYVRO-JWEBSOCCSA-N 0 0 346.253 3.937 40 30 EHEBRN N#CCOc1ccc(-c2c(C#N)c(N)ncc2-c2ccccc2)cc1 ZINC000408981976 257884008 /nfs/dbraw/zinc/88/40/08/257884008.db2.gz WYGYQZICIXEQME-UHFFFAOYSA-N 0 0 326.359 3.602 40 30 EHEBRN C(=N\N1CCN(Cc2ccccc2)CC1)\c1cccc2ccccc12 ZINC000015658697 518380291 /nfs/dbraw/zinc/38/02/91/518380291.db2.gz RIRNOMXXURRKDY-QJOMJCCJSA-N 0 0 329.447 3.992 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)s1 ZINC000016007992 519086566 /nfs/dbraw/zinc/08/65/66/519086566.db2.gz RJJHEQGEMNGSQV-LLVKDONJSA-N 0 0 335.454 3.531 40 30 EHEBRN C=CCSc1nnc(NC(=O)COc2cc(C)cc(C)c2C)s1 ZINC000223242074 519087914 /nfs/dbraw/zinc/08/79/14/519087914.db2.gz HBMILABPGHRCJN-UHFFFAOYSA-N 0 0 349.481 3.759 40 30 EHEBRN COc1ccc(/C=C\C(C[C@H](NO)c2ccc(OC)cc2)=N\O)cc1 ZINC000005340668 523434897 /nfs/dbraw/zinc/43/48/97/523434897.db2.gz NJAQMAVGELKCCS-LEIFLGIQSA-N 0 0 342.395 3.657 40 30 EHEBRN Cc1nnc(N=NC[C@@H]2CC=CCC2)nc1N=NC[C@H]1CC=CCC1 ZINC000027579536 526352720 /nfs/dbraw/zinc/35/27/20/526352720.db2.gz YWKFHLLJPJHINX-DYDHLNFCSA-N 0 0 339.447 3.688 40 30 EHEBRN Cc1cc(Br)ccc1NC1=CC(=O)C(=O)c2ccccc21 ZINC000001625329 563397829 /nfs/dbraw/zinc/39/78/29/563397829.db2.gz SXGRFWUHSDNFQH-UHFFFAOYSA-N 0 0 342.192 3.976 40 30 EHEBRN CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3C[C@H]3O[C@]32C1 ZINC000005166367 563521700 /nfs/dbraw/zinc/52/17/00/563521700.db2.gz RUQCGCWODJEVJZ-KMSCCEEJSA-N 0 0 346.467 3.661 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005167165 563521704 /nfs/dbraw/zinc/52/17/04/563521704.db2.gz QRDYCDIUGUAUBZ-IFBUNOGVSA-N 0 0 330.468 3.694 40 30 EHEBRN O=[N+]([O-])c1ccc(N=NC(c2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000005340177 563527695 /nfs/dbraw/zinc/52/76/95/563527695.db2.gz OMYNCJQABJKSKD-FBMGVBCBSA-N 0 0 326.312 3.729 40 30 EHEBRN CCC[C@]12C=C(OC)C(=O)C=C1O[C@H](c1ccc3c(c1)OCO3)[C@@H]2C ZINC000005664292 563544407 /nfs/dbraw/zinc/54/44/07/563544407.db2.gz KSGVAKCYDJGWFT-OCCQLPPTSA-N 0 0 342.391 3.906 40 30 EHEBRN Cc1ccccc1NN=Cc1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 ZINC000006504714 563570363 /nfs/dbraw/zinc/57/03/63/563570363.db2.gz HOJIAMARGVIRPO-SRZZPIQSSA-N 0 0 345.358 3.585 40 30 EHEBRN Clc1ccc([C@@H]2NN=C3NC(=Nc4ccccc4)S[C@@H]32)cc1 ZINC000006616094 563574784 /nfs/dbraw/zinc/57/47/84/563574784.db2.gz WFJFZWNIGMZTOU-UONOGXRCSA-N 0 0 328.828 3.691 40 30 EHEBRN CC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000006763789 563585648 /nfs/dbraw/zinc/58/56/48/563585648.db2.gz LVKCTRXOGZDNRD-SFHVURJKSA-N 0 0 338.432 3.861 40 30 EHEBRN CCCCCCCCCCNC(=O)C(=O)NCc1cccc(OC)c1 ZINC000408708425 563596065 /nfs/dbraw/zinc/59/60/65/563596065.db2.gz ZPLVEBIKDNZOEI-UHFFFAOYSA-N 0 0 348.487 3.568 40 30 EHEBRN O=C(/C(Br)=C\c1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000008628735 563633634 /nfs/dbraw/zinc/63/36/34/563633634.db2.gz ARQMEZWDPDIQJV-UKTHLTGXSA-N 0 0 333.141 3.609 40 30 EHEBRN CCOC(=O)c1ccc(NC=C2C(=O)N(c3ccccc3)N=C2C)cc1 ZINC000408740543 563639549 /nfs/dbraw/zinc/63/95/49/563639549.db2.gz LLBPSMKNZFYQAO-KOMLCTQHSA-N 0 0 349.390 3.605 40 30 EHEBRN FC(F)(F)c1ccccc1/C=N\N1CCN(Cc2ccccc2)CC1 ZINC000013154647 563691629 /nfs/dbraw/zinc/69/16/29/563691629.db2.gz UKFXNEPDUKJVAV-UCQKPKSFSA-N 0 0 347.384 3.857 40 30 EHEBRN Cn1c2cc(Br)ccc2nc1/N=C/c1ccccc1O ZINC000013233632 563693183 /nfs/dbraw/zinc/69/31/83/563693183.db2.gz WWEODFXBTBSZDY-RQZCQDPDSA-N 0 0 330.185 3.792 40 30 EHEBRN CCCCCCCCC[C@@]1(CC(=O)OCC)SCCN1C(N)=O ZINC000095568740 563977592 /nfs/dbraw/zinc/97/75/92/563977592.db2.gz USSKBHSBNANHLK-KRWDZBQOSA-N 0 0 344.521 3.904 40 30 EHEBRN C=CCNC(=O)c1ccc(OC)c(COc2ccc(C)c(C)c2)c1 ZINC000224285623 563993633 /nfs/dbraw/zinc/99/36/33/563993633.db2.gz FEHTXJRRPYNHLC-UHFFFAOYSA-N 0 0 325.408 3.807 40 30 EHEBRN C=CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224764705 563994871 /nfs/dbraw/zinc/99/48/71/563994871.db2.gz OXOIMNNAFGKUPK-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN C=CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1cccs1 ZINC000225130225 563995671 /nfs/dbraw/zinc/99/56/71/563995671.db2.gz BLZCWQGXWLPXLL-UHFFFAOYSA-N 0 0 343.857 3.791 40 30 EHEBRN C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1cccs1 ZINC000225134165 563995691 /nfs/dbraw/zinc/99/56/91/563995691.db2.gz SFNNUDYIBIOTOH-UHFFFAOYSA-N 0 0 331.821 3.922 40 30 EHEBRN C=CCSc1nnc(NC(=S)Nc2ccc(F)cc2)s1 ZINC000225461712 563995863 /nfs/dbraw/zinc/99/58/63/563995863.db2.gz MRFRMKOXJJABGR-UHFFFAOYSA-N 0 0 326.447 3.764 40 30 EHEBRN COc1cc(C=NN2CC(c3ccccc3)=NC2=S)cc(OC)c1 ZINC000006210987 564006341 /nfs/dbraw/zinc/00/63/41/564006341.db2.gz RPYSGHQXNCCSQI-YBFXNURJSA-N 0 0 339.420 3.738 40 30 EHEBRN COc1cc(-c2nc3ccccn3c2/N=C/c2ccc[nH]2)ccc1O ZINC000408976780 564008519 /nfs/dbraw/zinc/00/85/19/564008519.db2.gz GKVGPKVWEKLXCO-CIAFOILYSA-N 0 0 332.363 3.794 40 30 EHEBRN Cc1ccc(-c2cnc(N)c(C#N)c2-c2ccc(OCC#N)cc2)cc1 ZINC000408984271 564008662 /nfs/dbraw/zinc/00/86/62/564008662.db2.gz GEGJIUPOXMCWLI-UHFFFAOYSA-N 0 0 340.386 3.911 40 30 EHEBRN COc1ccc2ccc(OC)c(CN=Nc3nc(C)cc(C)n3)c2c1 ZINC000409011373 564008911 /nfs/dbraw/zinc/00/89/11/564008911.db2.gz HMPFEKKUXMIKMF-JAIQZWGSSA-N 0 0 336.395 3.710 40 30 EHEBRN CCOc1cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000409038312 564009075 /nfs/dbraw/zinc/00/90/75/564009075.db2.gz VGHUGXPZTGPBJW-IFRROFPPSA-N 0 0 332.219 3.799 40 30 EHEBRN CCN1C2=C(C(=O)CCC2)C(c2ccccc2O)C2=C1CCCC2=O ZINC000409037439 564009131 /nfs/dbraw/zinc/00/91/31/564009131.db2.gz NPVSQWWTBONXRS-UHFFFAOYSA-N 0 0 337.419 3.826 40 30 EHEBRN O=[N+]([O-])c1cccnc1N=NCc1ccc(-c2cccc(F)c2)o1 ZINC000409066298 564009357 /nfs/dbraw/zinc/00/93/57/564009357.db2.gz BNBZPICSQWBLAD-VXLYETTFSA-N 0 0 326.287 3.835 40 30 EHEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(C#N)cc1 ZINC000409100208 564009902 /nfs/dbraw/zinc/00/99/02/564009902.db2.gz SZGHCANWLVUPOO-HYARGMPZSA-N 0 0 335.407 3.926 40 30 EHEBRN Cc1cc(/C=N\NC(=S)Nc2ccccc2)c(C)n1-c1ccccn1 ZINC000409234142 564011266 /nfs/dbraw/zinc/01/12/66/564011266.db2.gz MHZXRVVWSKMGDK-BKUYFWCQSA-N 0 0 349.463 3.810 40 30 EHEBRN Oc1ccccc1CN=Nc1nc(-c2ccncc2)nc2ccccc21 ZINC000005518959 564032683 /nfs/dbraw/zinc/03/26/83/564032683.db2.gz MWWSDFVAMIIAGW-LPYMAVHISA-N 0 0 341.374 3.843 40 30 EHEBRN C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]3CC(=O)[C@H](O)[C@]3(C)CC[C@@H]21 ZINC000006415909 564070771 /nfs/dbraw/zinc/07/07/71/564070771.db2.gz UPMXTBWCFFZRCM-OAGDOXAWSA-N 0 0 326.436 3.647 40 30 EHEBRN C=CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000008442755 564072419 /nfs/dbraw/zinc/07/24/19/564072419.db2.gz HFSDCGQZBRMPPA-CGXNFDGLSA-N 0 0 343.426 3.911 40 30 EHEBRN C#CCOc1c(Cl)cc(C(=S)N2CCC(C)CC2)cc1OC ZINC000006272936 564125814 /nfs/dbraw/zinc/12/58/14/564125814.db2.gz MJKRLZZVKJETNM-UHFFFAOYSA-N 0 0 337.872 3.768 40 30 EHEBRN COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1ccccc1C ZINC000008571002 564127555 /nfs/dbraw/zinc/12/75/55/564127555.db2.gz KXNMFLUPQSOLEI-PWLTZZKVSA-N 0 0 325.364 3.736 40 30 EHEBRN Cc1cc(C=NN2C(=S)N=NC2C)c(C)n1-c1ccc(C)c(C)c1 ZINC000036289624 564128450 /nfs/dbraw/zinc/12/84/50/564128450.db2.gz XSZPUQNUZSIYKW-VXLYETTFSA-N 0 0 339.468 3.782 40 30 EHEBRN CCCOc1ccc2ccccc2c1C=NN1C(=S)N=NC1CC ZINC000008182911 564129857 /nfs/dbraw/zinc/12/98/57/564129857.db2.gz XYEWKOYMTKGWPI-XDHOZWIPSA-N 0 0 340.452 3.953 40 30 EHEBRN COc1cccc(C=NN2C(=S)N=NC2C2CCCCC2)c1OC ZINC000252429469 564133759 /nfs/dbraw/zinc/13/37/59/564133759.db2.gz SBIRMASERGRSSS-UHFFFAOYSA-N 0 0 346.456 3.514 40 30 EHEBRN Cc1cccc(-n2nc(C#N)c(N3CC[C@H](c4ccccc4)C3)n2)c1C ZINC000256048738 564134728 /nfs/dbraw/zinc/13/47/28/564134728.db2.gz VVRDRHXTNVFSAS-SFHVURJKSA-N 0 0 343.434 3.750 40 30 EHEBRN CC[C@H](Sc1nc(C(F)(F)F)cc(C)c1C#N)C(=O)NC(C)C ZINC000032117744 564160829 /nfs/dbraw/zinc/16/08/29/564160829.db2.gz ZAQCEQIWOAWZDP-NSHDSACASA-N 0 0 345.390 3.676 40 30 EHEBRN C=CCO/N=C(\CC)C1C(=O)CC(C[C@H](C)SCC)CC1=O ZINC000101271717 219120809 /nfs/dbraw/zinc/12/08/09/219120809.db2.gz OKWHWOFQPNDOHO-QTNFOGCQSA-N 0 0 325.474 3.651 40 30 EHEBRN COC(=O)c1ccc(NC(=S)N(CCC#N)C2CCCCC2)cc1 ZINC000004217839 210145801 /nfs/dbraw/zinc/14/58/01/210145801.db2.gz RJUGGPYANXDFKP-UHFFFAOYSA-N 0 0 345.468 3.718 40 30 EHEBRN CCOC(=O)[C@@H](C#N)[C@H](c1ccccc1OC)[C@@H]1CCOC(C)(C)C1 ZINC000003901960 210088781 /nfs/dbraw/zinc/08/87/81/210088781.db2.gz SRYXQBHPVZMMOV-HFTRVMKXSA-N 0 0 345.439 3.687 40 30 EHEBRN COc1ccc(/C=N\c2ccc3c(c2)OCO3)cc1Br ZINC000104159386 219354553 /nfs/dbraw/zinc/35/45/53/219354553.db2.gz SXADJLSWSCEJII-IUXPMGMMSA-N 0 0 334.169 3.937 40 30 EHEBRN C=C[C@@](C)(O)/C=C\C=C(/C)[C@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C/C ZINC000104203346 219360489 /nfs/dbraw/zinc/36/04/89/219360489.db2.gz VXKDXPKKPDBCSU-DJFLLNGNSA-N 0 0 334.456 3.871 40 30 EHEBRN Cc1ccnc(-n2nc(-c3ccc(C(F)(F)F)cc3)c(C#N)c2N)c1 ZINC000039955291 213246273 /nfs/dbraw/zinc/24/62/73/213246273.db2.gz BBRCYCMUPXCRFF-UHFFFAOYSA-N 0 0 343.312 3.715 40 30 EHEBRN O=C(C1=C(O)C(=O)O[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000036619632 213104060 /nfs/dbraw/zinc/10/40/60/213104060.db2.gz KHHXMYUCGYRJHY-MRXNPFEDSA-N 0 0 332.714 3.772 40 30 EHEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000035647736 213043662 /nfs/dbraw/zinc/04/36/62/213043662.db2.gz TYTBINNZDUNICC-NTEUORMPSA-N 0 0 343.339 3.626 40 30 EHEBRN Cc1ccc(C)c(NC(=O)CSc2nc(C)cc(C)c2C#N)c1 ZINC000000411566 209575471 /nfs/dbraw/zinc/57/54/71/209575471.db2.gz VKPWGZMIXJBFQD-UHFFFAOYSA-N 0 0 325.437 3.918 40 30 EHEBRN COc1ccc(NC(=O)c2ccco2)c2sc(N=NC(C)C)nc21 ZINC000072229829 216071060 /nfs/dbraw/zinc/07/10/60/216071060.db2.gz ATICJAPTMLPMAJ-UHFFFAOYSA-N 0 0 344.396 3.958 40 30 EHEBRN C#CCOC(=O)c1ccc(Cl)c(-c2cc3ccccc3oc2=O)c1 ZINC000216936690 241224842 /nfs/dbraw/zinc/22/48/42/241224842.db2.gz MGMHIWPWKLNDFS-UHFFFAOYSA-N 0 0 338.746 3.903 40 30 EHEBRN C[C@](O)(C#CCN1CCCC[C@@H]1c1cccnc1)[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000217497264 241253070 /nfs/dbraw/zinc/25/30/70/241253070.db2.gz VVGJPICXZGVUEA-DKBNTXJOSA-N 0 0 336.479 3.575 40 30 EHEBRN C=CCOc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1 ZINC000219210630 241370483 /nfs/dbraw/zinc/37/04/83/241370483.db2.gz VHFALVGYXNXMQK-UHFFFAOYSA-N 0 0 336.391 3.631 40 30 EHEBRN C=CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 ZINC000222981164 241588066 /nfs/dbraw/zinc/58/80/66/241588066.db2.gz NKVUSBBLPDTEJX-UHFFFAOYSA-N 0 0 337.419 3.938 40 30 EHEBRN CCCCSc1nc(N)c(C#N)c(COc2ccc(F)cc2)n1 ZINC000223688467 241679932 /nfs/dbraw/zinc/67/99/32/241679932.db2.gz ZERYLPQWTRPZHF-UHFFFAOYSA-N 0 0 332.404 3.541 40 30 EHEBRN CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)c(C#N)c1 ZINC000225832790 242055407 /nfs/dbraw/zinc/05/54/07/242055407.db2.gz KOSUKEBPMKQMNT-AUUYWEPGSA-N 0 0 330.428 3.881 40 30 EHEBRN CCOCCOc1c(N)cc(C#N)n1Cc1cccc2ccccc21 ZINC000225876712 242067619 /nfs/dbraw/zinc/06/76/19/242067619.db2.gz LDFWNVYJJDPENS-UHFFFAOYSA-N 0 0 335.407 3.559 40 30 EHEBRN CCOc1ccc(/C=N/O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000015392235 211821547 /nfs/dbraw/zinc/82/15/47/211821547.db2.gz IQNLYDWTVUNPAB-OVMKCGGTSA-N 0 0 348.349 3.741 40 30 EHEBRN O=C(OCC(F)(F)C(F)(F)F)OCC(F)(F)C(F)(F)F ZINC000081137507 217364212 /nfs/dbraw/zinc/36/42/12/217364212.db2.gz ZXUXGOZWYSJTGF-UHFFFAOYSA-N 0 0 326.086 3.535 40 30 EHEBRN N#COc1ccccc1CN=Nc1c(F)c(F)c(F)c(F)c1F ZINC000006926825 210745324 /nfs/dbraw/zinc/74/53/24/210745324.db2.gz LFXAKHFBAFAGBB-IGCPIRJNSA-N 0 0 327.212 3.688 40 30 EHEBRN Cc1cccc2cc(C#N)c(NCCNC(=O)C3CCCCC3)nc12 ZINC000004964428 210341749 /nfs/dbraw/zinc/34/17/49/210341749.db2.gz CZIRMWVSAAZUBP-UHFFFAOYSA-N 0 0 336.439 3.523 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)[C@H](C)[C@]12C ZINC000118925717 221204471 /nfs/dbraw/zinc/20/44/71/221204471.db2.gz JLOPYNSMWUXMEO-LUMOBFCMSA-N 0 0 344.495 3.940 40 30 EHEBRN COc1cccc(/N=C/c2ccc(OCC(=O)OC(C)C)cc2)c1 ZINC000409185315 257875887 /nfs/dbraw/zinc/87/58/87/257875887.db2.gz WVZUZZUWZJVTGV-UDWIEESQSA-N 0 0 327.380 3.776 40 30 EHEBRN C#C[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@@](O)(C#C)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253596442 258014639 /nfs/dbraw/zinc/01/46/39/258014639.db2.gz RGONBQJNKIRXIP-YIKBSWRXSA-N 0 0 340.507 3.758 40 30 EHEBRN C/C=C/[C@@H](CCC=CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCC ZINC000004903324 518549190 /nfs/dbraw/zinc/54/91/90/518549190.db2.gz QTLNLSHMWXMGLF-QZBMOOLISA-N 0 0 348.359 3.828 40 30 EHEBRN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000020491158 525106688 /nfs/dbraw/zinc/10/66/88/525106688.db2.gz FEDXNVZFZVCYMH-ZDUSSCGKSA-N 0 0 326.421 3.881 40 30 EHEBRN C[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004096445 525839980 /nfs/dbraw/zinc/83/99/80/525839980.db2.gz MASCESDECGBIBB-HNXXTFFGSA-N 0 0 332.484 3.630 40 30 endogenous,in-man EHEBRN Cc1ccc(C(=O)CSc2nc(C)cc(SCC#N)n2)cc1 ZINC000004130468 526049266 /nfs/dbraw/zinc/04/92/66/526049266.db2.gz CTMNUDXRRKDSTA-UHFFFAOYSA-N 0 0 329.450 3.684 40 30 EHEBRN C=CCOc1c(/C=C2/SC(=S)N(CCC)C2=O)cccc1OC ZINC000408529515 563415900 /nfs/dbraw/zinc/41/59/00/563415900.db2.gz IHEPKXWSSDKHKI-SDNWHVSQSA-N 0 0 349.477 3.871 40 30 EHEBRN C=C[C@@H](C)N1C(=O)S/C(=C\c2cc(OC)c(OC)cc2C)C1=O ZINC000408547996 563446937 /nfs/dbraw/zinc/44/69/37/563446937.db2.gz BNSYLPPOYLCONF-PDICVPPASA-N 0 0 333.409 3.623 40 30 EHEBRN O=C(COc1cccc(/C=N\O)c1)Nc1ccc(Cl)c(Cl)c1 ZINC000408552135 563469477 /nfs/dbraw/zinc/46/94/77/563469477.db2.gz OONBBWTYVGMLQA-LSCVHKIXSA-N 0 0 339.178 3.819 40 30 EHEBRN CC1=CC(=O)C(C(C)C)=C/C1=N\S(=O)(=O)c1ccc(Cl)cc1 ZINC000005318089 563526420 /nfs/dbraw/zinc/52/64/20/563526420.db2.gz KELZOLWDIAPQJG-OBGWFSINSA-N 0 0 337.828 3.581 40 30 EHEBRN O=[N+]([O-])c1ccc(NN=Cc2cc(Br)ccc2F)cc1 ZINC000006863311 563589326 /nfs/dbraw/zinc/58/93/26/563589326.db2.gz HUGMLPMPEZAZIX-LZYBPNLTSA-N 0 0 338.136 3.942 40 30 EHEBRN COc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(F)cc2)S1 ZINC000007276516 563599093 /nfs/dbraw/zinc/59/90/93/563599093.db2.gz BBGPAGDHWQQVOJ-GDNBJRDFSA-N 0 0 328.368 3.726 40 30 EHEBRN NC(=S)N/N=C/c1ccccc1OCc1cccc2ccccc21 ZINC000408755778 563641061 /nfs/dbraw/zinc/64/10/61/563641061.db2.gz PFCLKPBTWJWVTO-CIAFOILYSA-N 0 0 335.432 3.586 40 30 EHEBRN CCCOc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000038366503 563887318 /nfs/dbraw/zinc/88/73/18/563887318.db2.gz PAXVMZALHZARLG-BOPFTXTBSA-N 0 0 344.327 3.738 40 30 EHEBRN COc1cc(/C=N\O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000100250226 563982451 /nfs/dbraw/zinc/98/24/51/563982451.db2.gz FOZHBGNUTHUXLP-IUXPMGMMSA-N 0 0 336.731 3.644 40 30 EHEBRN CCCCN(CCCC)C(=O)C(=O)CC(=O)C=Cc1ccccc1 ZINC000102936320 563983309 /nfs/dbraw/zinc/98/33/09/563983309.db2.gz UNUICVBRAYIRIH-OUKQBFOZSA-N 0 0 329.440 3.657 40 30 EHEBRN C=CCOc1cccc(NS(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC000223572170 563983357 /nfs/dbraw/zinc/98/33/57/563983357.db2.gz USEJKFHPTYRLHV-UHFFFAOYSA-N 0 0 347.436 3.678 40 30 EHEBRN C=CCOc1ccc(C(=O)NCCOc2cc(C)ccc2C)cc1 ZINC000224030325 563991939 /nfs/dbraw/zinc/99/19/39/563991939.db2.gz FZXWFTSXVWVHET-UHFFFAOYSA-N 0 0 325.408 3.677 40 30 EHEBRN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(OCC)c(C)c1 ZINC000224654513 563994520 /nfs/dbraw/zinc/99/45/20/563994520.db2.gz ASEBRCDUMMSMMN-UHFFFAOYSA-N 0 0 338.407 3.562 40 30 EHEBRN Fc1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000001473736 564002021 /nfs/dbraw/zinc/00/20/21/564002021.db2.gz JVPSLSRRIAQQFO-NVMNQCDNSA-N 0 0 332.791 3.909 40 30 EHEBRN Cc1ccsc1/C=N\NS(=O)(=O)c1ccc2ccccc2c1 ZINC000408999544 564008806 /nfs/dbraw/zinc/00/88/06/564008806.db2.gz LOAAGPSOMBTMBC-BOPFTXTBSA-N 0 0 330.434 3.522 40 30 EHEBRN CCOc1ccccc1/N=C\c1ccc(N2CCOCC2)cc1OC ZINC000409240604 564011223 /nfs/dbraw/zinc/01/12/23/564011223.db2.gz HDSMSVIAVYDSRJ-QNGOZBTKSA-N 0 0 340.423 3.681 40 30 EHEBRN C=CCc1cc(C=C2SC(=S)NC2=O)cc(OCC)c1OCC ZINC000409349063 564011816 /nfs/dbraw/zinc/01/18/16/564011816.db2.gz UJOARCFPCPFYKW-UVTDQMKNSA-N 0 0 349.477 3.701 40 30 EHEBRN C[C@H](O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000000902075 564012967 /nfs/dbraw/zinc/01/29/67/564012967.db2.gz MASCESDECGBIBB-YDDYQJQASA-N 0 0 332.484 3.630 40 30 EHEBRN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(O)cc1 ZINC000016449139 564024627 /nfs/dbraw/zinc/02/46/27/564024627.db2.gz ZRYHAXCSONNMSH-NTEUORMPSA-N 0 0 330.796 3.937 40 30 EHEBRN COc1ccccc1C=CC=NN1C(=S)N=NC1c1ccccc1 ZINC000005896017 564033049 /nfs/dbraw/zinc/03/30/49/564033049.db2.gz FLKMCUZITYTFMU-BPLVKSTGSA-N 0 0 336.420 3.790 40 30 EHEBRN C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)CNc1ccc(C#N)cc1 ZINC000332514314 564052413 /nfs/dbraw/zinc/05/24/13/564052413.db2.gz WFPSVXPNJCJXNA-KBPBESRZSA-N 0 0 337.398 3.644 40 30 EHEBRN C=CCOc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 ZINC000045054089 564061832 /nfs/dbraw/zinc/06/18/32/564061832.db2.gz OOUDUPQKSOHBDT-CQSZACIVSA-N 0 0 339.391 3.514 40 30 EHEBRN CCNc1nc(Nc2cccc(F)c2C#N)cc(C(F)(F)F)n1 ZINC000323622807 564076730 /nfs/dbraw/zinc/07/67/30/564076730.db2.gz DBNDLHWMKPQVBE-UHFFFAOYSA-N 0 0 325.269 3.682 40 30 EHEBRN N#Cc1c(N)nc(SC2CCCC2)nc1COc1ccccc1 ZINC000223680682 564081758 /nfs/dbraw/zinc/08/17/58/564081758.db2.gz HDYIXDBNAQODOV-UHFFFAOYSA-N 0 0 326.425 3.544 40 30 EHEBRN Cc1cccc(OCc2nc(SCC(C)C)nc(N)c2C#N)c1 ZINC000223684664 564081769 /nfs/dbraw/zinc/08/17/69/564081769.db2.gz RTFRSTSSZWQQPY-UHFFFAOYSA-N 0 0 328.441 3.566 40 30 EHEBRN CC(=NNc1ccccc1[N+](=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000034722490 564085864 /nfs/dbraw/zinc/08/58/64/564085864.db2.gz SEAYFZNBAIRONU-SXGWCWSVSA-N 0 0 334.719 3.993 40 30 EHEBRN C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)C=CC(=O)[C@@]3(C)[C@H]1C2 ZINC000252515526 564120245 /nfs/dbraw/zinc/12/02/45/564120245.db2.gz LDVSKUDVSXXLAQ-LIPSIFBJSA-N 0 0 344.451 3.953 40 30 biogenic,in-vitro EHEBRN C=CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C)cc1 ZINC000008040748 564126987 /nfs/dbraw/zinc/12/69/87/564126987.db2.gz CSZKQQBMNDTOIX-UHFFFAOYSA-N 0 0 325.364 3.599 40 30 EHEBRN Cc1ccc2cc(C#N)c(SCC(=O)N3CCCCC3)nc2c1 ZINC000000422299 564133245 /nfs/dbraw/zinc/13/32/45/564133245.db2.gz HGLKSSHTRCAMFV-UHFFFAOYSA-N 0 0 325.437 3.520 40 30 EHEBRN COCc1cc(C)n(Cc2c(Cl)cccc2Cl)c(=O)c1C#N ZINC000408606962 564133645 /nfs/dbraw/zinc/13/36/45/564133645.db2.gz RXAQTONLDSZCLG-UHFFFAOYSA-N 0 0 337.206 3.530 40 30 EHEBRN N#Cc1c(NC(=O)Cc2ccccc2[N+](=O)[O-])sc2c1CCCC2 ZINC000008051592 564133880 /nfs/dbraw/zinc/13/38/80/564133880.db2.gz DXKZRVSXTOUBFG-UHFFFAOYSA-N 0 0 341.392 3.588 40 30 EHEBRN CCCOC(=O)c1ccc(NC(=O)c2ccc(C#N)cc2F)cc1 ZINC000009141683 564134244 /nfs/dbraw/zinc/13/42/44/564134244.db2.gz FDJPROOZJPLGTO-UHFFFAOYSA-N 0 0 326.327 3.516 40 30 EHEBRN CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(O)[C@@H]3CC[C@@]12C ZINC000263611578 1138332638 /nfs/dbraw/zinc/33/26/38/1138332638.db2.gz XGQPQFRJMKCXBL-KGENDAAVSA-N 0 0 346.467 3.565 40 30 EHEBRN CCN(CC)/C(=N\c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000100537246 219101051 /nfs/dbraw/zinc/10/10/51/219101051.db2.gz NXLOPYUCQHMHTA-ZCXUNETKSA-N 0 0 342.355 3.923 40 30 EHEBRN COc1c(Cl)cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1Cl ZINC000101621526 219146610 /nfs/dbraw/zinc/14/66/10/219146610.db2.gz LNFQXZXONYEYDU-FMQZQXMHSA-N 0 0 341.154 3.751 40 30 EHEBRN Cc1ccc(CNC2=C(Cl)C(=O)c3ccccc3C2=O)cc1C ZINC000104182448 219356680 /nfs/dbraw/zinc/35/66/80/219356680.db2.gz WRJHFFUSPPNABS-UHFFFAOYSA-N 0 0 325.795 3.923 40 30 EHEBRN CC[C@H](C)NC(=O)CSc1nc2cc(C)c(C)cc2cc1C#N ZINC000034791553 212987971 /nfs/dbraw/zinc/98/79/71/212987971.db2.gz RMRWCNRVCUWVCO-ZDUSSCGKSA-N 0 0 327.453 3.730 40 30 EHEBRN N#C[C@@H]1[C@H](C#N)[C@H]2c3ccccc3C=CN2[C@@H]1C(=O)c1ccccc1 ZINC000031794118 212749021 /nfs/dbraw/zinc/74/90/21/212749021.db2.gz ZXXQHIZONCRTHR-NMLBUPMWSA-N 0 0 325.371 3.559 40 30 EHEBRN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2C#N)cc1 ZINC000218638933 241337524 /nfs/dbraw/zinc/33/75/24/241337524.db2.gz BZWCPGPMNBMHAT-SQNIBIBYSA-N 0 0 345.851 3.982 40 30 EHEBRN C=CCSc1ccccc1C(=O)NCCc1ccc(OC)cc1 ZINC000219800127 241410903 /nfs/dbraw/zinc/41/09/03/241410903.db2.gz HHYLQPWBAGVVPT-UHFFFAOYSA-N 0 0 327.449 3.946 40 30 EHEBRN C=CCOc1ccc(C(=O)N[C@H](C)COc2ccc(C)cc2)cc1 ZINC000219642116 241399593 /nfs/dbraw/zinc/39/95/93/241399593.db2.gz FWHUFVBKLQMMCS-MRXNPFEDSA-N 0 0 325.408 3.757 40 30 EHEBRN Cc1ccc(C(C)C)cc1Oc1c(N)cc(C#N)n1Cc1nccn1C ZINC000225886851 242072140 /nfs/dbraw/zinc/07/21/40/242072140.db2.gz PNNYFHNTCYYVGX-UHFFFAOYSA-N 0 0 349.438 3.948 40 30 EHEBRN N#Cc1cn(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc12 ZINC000226361688 242101525 /nfs/dbraw/zinc/10/15/25/242101525.db2.gz QJXTXJYIWXNLRP-UHFFFAOYSA-N 0 0 325.711 3.763 40 30 EHEBRN N#Cc1cn(C(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccccc12 ZINC000226361700 242102441 /nfs/dbraw/zinc/10/24/41/242102441.db2.gz BBDBPIMXXIEDKC-UHFFFAOYSA-N 0 0 325.711 3.763 40 30 EHEBRN C[C@H]1CC(=O)C2C(=Nc3ncnn3[C@H]2c2cccc3ccccc32)C1 ZINC000019959657 212090369 /nfs/dbraw/zinc/09/03/69/212090369.db2.gz LIANDGJHRAKPMR-BLVKFPJESA-N 0 0 330.391 3.699 40 30 EHEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000005551375 210486911 /nfs/dbraw/zinc/48/69/11/210486911.db2.gz TYTBINNZDUNICC-ZROIWOOFSA-N 0 0 343.339 3.626 40 30 EHEBRN Cc1cccc2cc(C#N)c(SCC(=O)N3CCCCCC3)nc12 ZINC000004849049 210299529 /nfs/dbraw/zinc/29/95/29/210299529.db2.gz YMDZHXHVXCBTNI-UHFFFAOYSA-N 0 0 339.464 3.910 40 30 EHEBRN C=C1C[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O ZINC000118931770 221205128 /nfs/dbraw/zinc/20/51/28/221205128.db2.gz VRABBYPHXSPLAT-DHGBTQKMSA-N 0 0 344.495 3.796 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@H]3O[C@@H]3[C@]12C ZINC000118936464 221206317 /nfs/dbraw/zinc/20/63/17/221206317.db2.gz ZUTUSHGUIOPVJS-WTHPYXGCSA-N 0 0 330.468 3.791 40 30 EHEBRN C/C(=N\NS(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 ZINC000005289571 257867734 /nfs/dbraw/zinc/86/77/34/257867734.db2.gz QVTMNNRKRKAKDN-XMHGGMMESA-N 0 0 330.453 3.687 40 30 EHEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc[nH]2)C1=O ZINC000409149179 257877190 /nfs/dbraw/zinc/87/71/90/257877190.db2.gz YOSMTSXHWPQSNP-KAMYIIQDSA-N 0 0 340.404 3.558 40 30 EHEBRN C=CCOc1c(CC=C)cc(/C=C2\C(=O)ON=C2C)cc1OCC ZINC000409086740 257880290 /nfs/dbraw/zinc/88/02/90/257880290.db2.gz WPPLOKKOMQTBGO-WJDWOHSUSA-N 0 0 327.380 3.695 40 30 EHEBRN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC(=O)[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253617202 258073505 /nfs/dbraw/zinc/07/35/05/258073505.db2.gz BLCAJJQPGLGJDA-KBAFEORJSA-N 0 0 328.452 3.903 40 30 EHEBRN C=CCOc1cccc(NC(=O)CSc2ccc(OC)cc2)c1 ZINC000020110554 519055391 /nfs/dbraw/zinc/05/53/91/519055391.db2.gz TYKPXBZCUKFWCF-UHFFFAOYSA-N 0 0 329.421 3.991 40 30 EHEBRN Cc1nnc(N=NC[C@@H]2CC=CCC2)nc1N=NC[C@@H]1CC=CCC1 ZINC000027579543 526352004 /nfs/dbraw/zinc/35/20/04/526352004.db2.gz YWKFHLLJPJHINX-QRTXFZJPSA-N 0 0 339.447 3.688 40 30 EHEBRN CCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C#N ZINC000225808633 535275498 /nfs/dbraw/zinc/27/54/98/535275498.db2.gz DXMPAKZSDHDXEO-AUUYWEPGSA-N 0 0 330.428 3.881 40 30 EHEBRN CC(=O)n1nc(C)c(Cl)c1C(F)(F)C(F)(F)C(F)(F)F ZINC000002379328 563430475 /nfs/dbraw/zinc/43/04/75/563430475.db2.gz QNBDMAORUMLVFI-UHFFFAOYSA-N 0 0 326.599 3.794 40 30 EHEBRN Cc1nc2ccccc2c(=O)n1/N=C\c1ccc(Cl)cc1Cl ZINC000005665101 563544311 /nfs/dbraw/zinc/54/43/11/563544311.db2.gz ZQUNFFKOKSASBD-OCKHKDLRSA-N 0 0 332.190 3.894 40 30 EHEBRN CCCn1c(C=NN=c2[nH]c3ccccc3s2)nc2ccccc21 ZINC000008048373 563620091 /nfs/dbraw/zinc/62/00/91/563620091.db2.gz UWJDUHIMJUWDFH-XDHOZWIPSA-N 0 0 335.436 3.924 40 30 EHEBRN CCCCOC1(NC(=O)c2ccccc2C)C(C)=CC(=O)C=C1C ZINC000016807571 563824431 /nfs/dbraw/zinc/82/44/31/563824431.db2.gz WTLRVAYSFGJDPO-UHFFFAOYSA-N 0 0 327.424 3.713 40 30 EHEBRN O/N=C(\c1ccc(O)cc1)c1ccc(/C(=N/O)c2ccc(O)cc2)cc1 ZINC000018096118 563848740 /nfs/dbraw/zinc/84/87/40/563848740.db2.gz HFDBBQVNZIQTRV-WRBBJXAJSA-N 0 0 348.358 3.551 40 30 EHEBRN O=[N+]([O-])c1ccc(/C=N\N=C/c2ccc(Br)cc2)cc1 ZINC000025667231 563887100 /nfs/dbraw/zinc/88/71/00/563887100.db2.gz LTOMVKJMKKOUCL-CQRYCMKKSA-N 0 0 332.157 3.810 40 30 EHEBRN O=C1N/C(=N/N=C/c2ccco2)S/C1=C\c1ccc(Cl)cc1 ZINC000028295053 563902283 /nfs/dbraw/zinc/90/22/83/563902283.db2.gz IRPSYACKQSPACU-WZLMRBOYSA-N 0 0 331.784 3.527 40 30 EHEBRN Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1ccc(C#N)cc1F ZINC000014258337 563983802 /nfs/dbraw/zinc/98/38/02/563983802.db2.gz XASRRQOLBSMJFD-UHFFFAOYSA-N 0 0 333.706 3.820 40 30 EHEBRN C=CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224742322 563994856 /nfs/dbraw/zinc/99/48/56/563994856.db2.gz HERNUFDCKWHUJQ-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN C=CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225018308 563995463 /nfs/dbraw/zinc/99/54/63/563995463.db2.gz LRUAEIYNZHWSDV-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN C=CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225095946 563995607 /nfs/dbraw/zinc/99/56/07/563995607.db2.gz WHSLQWYLKAWFEM-UHFFFAOYSA-N 0 0 349.427 3.832 40 30 EHEBRN CC(=O)Oc1cccc(/C=C2\SC(=Nc3ccccc3)NC2=O)c1 ZINC000408765687 564006338 /nfs/dbraw/zinc/00/63/38/564006338.db2.gz NGJKVAGFOYLCOP-WJDWOHSUSA-N 0 0 338.388 3.504 40 30 EHEBRN FC(F)(F)c1ccc(NN=Cc2ccc(N3CCOCC3)o2)cc1 ZINC000408933683 564008111 /nfs/dbraw/zinc/00/81/11/564008111.db2.gz JZFPQAPDPFNQRO-JAIQZWGSSA-N 0 0 339.317 3.581 40 30 EHEBRN Cc1cc(/C=N\NC(N)=S)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409006351 564008826 /nfs/dbraw/zinc/00/88/26/564008826.db2.gz IUUHFUNYYZRSSU-WSVATBPTSA-N 0 0 341.267 3.568 40 30 EHEBRN CCOc1ccccc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409032736 564009094 /nfs/dbraw/zinc/00/90/94/564009094.db2.gz NBAGUKADEMPZKR-IFRROFPPSA-N 0 0 332.219 3.799 40 30 EHEBRN C=CCN1C(=O)S/C(=C/c2cccn2-c2ccccc2F)C1=O ZINC000409095888 564009800 /nfs/dbraw/zinc/00/98/00/564009800.db2.gz BOZLYOGWNMSNKX-RVDMUPIBSA-N 0 0 328.368 3.839 40 30 EHEBRN C[C@@H]1CCCC(=CNc2ccc(I)cc2)C1=O ZINC000409181096 564010847 /nfs/dbraw/zinc/01/08/47/564010847.db2.gz WEBUBQPDAILVBY-QLWWJYNRSA-N 0 0 341.192 3.976 40 30 EHEBRN Cc1cc2c(cc1C)C(=O)C(Br)=C(Br)C2=O ZINC000001689552 564013110 /nfs/dbraw/zinc/01/31/10/564013110.db2.gz QJEMZWYYVOMIKX-UHFFFAOYSA-N 0 0 344.002 3.684 40 30 EHEBRN Cc1ccc(NN=C2c3cc(C)ccc3N(C3CSC3)C2=O)cc1 ZINC000223720419 564040683 /nfs/dbraw/zinc/04/06/83/564040683.db2.gz LYWPQDVRAIFCRS-UZYVYHOESA-N 0 0 337.448 3.582 40 30 EHEBRN CCOc1cccc(CNC(=S)Nc2ccc(CC#N)cc2)c1 ZINC000225439001 564046741 /nfs/dbraw/zinc/04/67/41/564046741.db2.gz CLTSEKPMZWUAGP-UHFFFAOYSA-N 0 0 325.437 3.638 40 30 EHEBRN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(C)cc1Cl ZINC000191145982 564065584 /nfs/dbraw/zinc/06/55/84/564065584.db2.gz CYNMNIWZCSTJTO-UHFFFAOYSA-N 0 0 328.799 3.817 40 30 EHEBRN C=CCOc1ccc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc1OCC ZINC000008254483 564072402 /nfs/dbraw/zinc/07/24/02/564072402.db2.gz IDNGLQVMZVHBPC-UHFFFAOYSA-N 0 0 341.407 3.638 40 30 EHEBRN C=C(C)COc1cccc(C(=O)Nc2cccc(C(=O)OC)c2C)c1 ZINC000219781973 564084168 /nfs/dbraw/zinc/08/41/68/564084168.db2.gz AHXXRJUQYGPMGL-UHFFFAOYSA-N 0 0 339.391 3.989 40 30 EHEBRN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@@]2(O)CC#N ZINC000245226301 564124113 /nfs/dbraw/zinc/12/41/13/564124113.db2.gz PVJTWKXCNGTZRG-WMKCGOMXSA-N 0 0 329.484 3.955 40 30 EHEBRN CCOc1cc(C=NNc2nc3ccccc3n2C)cc(Cl)c1O ZINC000007343339 564126664 /nfs/dbraw/zinc/12/66/64/564126664.db2.gz MBTJCKXGWYUDGT-VXLYETTFSA-N 0 0 344.802 3.777 40 30 EHEBRN Cc1cc(/C=N/n2cnnc2)c(C)n1-c1cccc(Cl)c1Cl ZINC000007892002 564126840 /nfs/dbraw/zinc/12/68/40/564126840.db2.gz STXZMUFEULRFFN-IFRROFPPSA-N 0 0 334.210 3.875 40 30 EHEBRN COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1ccc(C)cc1 ZINC000008372198 564127339 /nfs/dbraw/zinc/12/73/39/564127339.db2.gz KGKJXQSYOJSFRO-PWLTZZKVSA-N 0 0 325.364 3.736 40 30 EHEBRN Cc1cc(C)c2cc(C#N)c(SCC(=O)NC3CCCC3)nc2c1 ZINC000000412221 564133170 /nfs/dbraw/zinc/13/31/70/564133170.db2.gz FQHKJKHLXUYYNF-UHFFFAOYSA-N 0 0 339.464 3.874 40 30 EHEBRN Cc1cc(C)c2cc(C#N)c(SCC(=O)N3CCCCC3)nc2c1 ZINC000000412223 564133190 /nfs/dbraw/zinc/13/31/90/564133190.db2.gz XCPPBJNVAZXLGA-UHFFFAOYSA-N 0 0 339.464 3.828 40 30 EHEBRN CC1=N/C(=C/c2cn(Cc3ccccc3C#N)c3ccccc23)C(=O)O1 ZINC000408806385 564133638 /nfs/dbraw/zinc/13/36/38/564133638.db2.gz APOAVYAUWWGFHG-VXLYETTFSA-N 0 0 341.370 3.877 40 30 EHEBRN N#Cc1nn(-c2ccccc2Cl)nc1N1CC[C@H](c2ccccc2)C1 ZINC000256046027 564134675 /nfs/dbraw/zinc/13/46/75/564134675.db2.gz CGQUIKWCPDWJMV-HNNXBMFYSA-N 0 0 349.825 3.786 40 30 EHEBRN Cc1ccc(C)c(-n2nc(C#N)c(N3CC[C@H](c4ccccc4)C3)n2)c1 ZINC000256045752 564134679 /nfs/dbraw/zinc/13/46/79/564134679.db2.gz AUZGVKMPXWKMFR-SFHVURJKSA-N 0 0 343.434 3.750 40 30 EHEBRN CC[C@@H]1CCCCN1c1nn(-c2cccc(C(F)(F)F)c2)nc1C#N ZINC000256049026 564134705 /nfs/dbraw/zinc/13/47/05/564134705.db2.gz XUDBGIZQAZRIBV-CYBMUJFWSA-N 0 0 349.360 3.927 40 30 EHEBRN Cc1cccc(-n2nc(C#N)c(N3CC[C@@H](c4ccccc4)C3)n2)c1C ZINC000256048737 564134720 /nfs/dbraw/zinc/13/47/20/564134720.db2.gz VVRDRHXTNVFSAS-GOSISDBHSA-N 0 0 343.434 3.750 40 30 EHEBRN CC=CC(=O)[C@H](C(=O)OC(C)(C)C)[C@H](c1ccccc1)[C@@H](C)[N+](=O)[O-] ZINC000005223416 1037533476 /nfs/dbraw/zinc/53/34/76/1037533476.db2.gz HTQLNQIWJBMCJJ-ZWIAVWAHSA-N 0 0 347.411 3.539 40 30 EHEBRN CCCCCCCNC(=O)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000100562536 219102043 /nfs/dbraw/zinc/10/20/43/219102043.db2.gz VZXOLWDBEOWCRN-UHFFFAOYSA-N 0 0 345.468 3.835 40 30 EHEBRN COC(=O)[C@H](C)O/N=C1/C=C[C@](C)(C(Cl)(Cl)Cl)C=C1C ZINC000104126823 219349823 /nfs/dbraw/zinc/34/98/23/219349823.db2.gz WXOZSZPEXKXRJM-UTWKVBOGSA-N 0 0 340.634 3.813 40 30 EHEBRN COC1=C(C(C)C)C(=O)C2=C(C1=O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@@H]2O ZINC000068601934 215321304 /nfs/dbraw/zinc/32/13/04/215321304.db2.gz UNRFNEOHQPFLEL-BYVOGVQKSA-N 0 0 346.467 3.589 40 30 EHEBRN Cc1ccc(NS(=O)(=O)c2ccc(-c3ccc(C#N)o3)cc2)cc1 ZINC000216779402 241210097 /nfs/dbraw/zinc/21/00/97/241210097.db2.gz UZHQDOOVVUDHLT-UHFFFAOYSA-N 0 0 338.388 3.928 40 30 EHEBRN N#Cc1ccc(-c2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)o1 ZINC000216779468 241210738 /nfs/dbraw/zinc/21/07/38/241210738.db2.gz BNMGIOYUWHCFGG-UHFFFAOYSA-N 0 0 342.351 3.758 40 30 EHEBRN C=CCNC(=O)c1ccc(OCC)c(COc2ccccc2C)c1 ZINC000224369775 241752045 /nfs/dbraw/zinc/75/20/45/241752045.db2.gz FAUCJWAVCXJCFY-UHFFFAOYSA-N 0 0 325.408 3.889 40 30 EHEBRN CCCCOc1c(C#N)cc(I)cc1OCC ZINC000225291080 241819840 /nfs/dbraw/zinc/81/98/40/241819840.db2.gz ZSBAZPGSOYSJRT-UHFFFAOYSA-N 0 0 345.180 3.740 40 30 EHEBRN CCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cc1C#N ZINC000225832304 242054383 /nfs/dbraw/zinc/05/43/83/242054383.db2.gz LMIZDUPSMJBCKP-LIRRHRJNSA-N 0 0 330.428 3.881 40 30 EHEBRN N#Cc1c(N)n(Cc2ccccc2F)nc1Cc1ccc(Cl)cc1 ZINC000225841036 242058256 /nfs/dbraw/zinc/05/82/56/242058256.db2.gz BGJFFQFSYKYBLM-UHFFFAOYSA-N 0 0 340.789 3.769 40 30 EHEBRN CCSc1nc2n(n1)[C@@H](c1cccs1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000019959593 212090830 /nfs/dbraw/zinc/09/08/30/212090830.db2.gz BDBUBGRUZFQMFT-XPTSAGLGSA-N 0 0 346.481 3.720 40 30 EHEBRN C=CCOC(=O)c1nnc2c(-c3cccc4ccccc43)cnn2c1C ZINC000019817047 212071627 /nfs/dbraw/zinc/07/16/27/212071627.db2.gz YKVVSWMUYOBTCX-UHFFFAOYSA-N 0 0 344.374 3.596 40 30 EHEBRN O=C1ON=C(c2cccs2)/C1=C/c1cccc(Br)c1 ZINC000012428615 211378076 /nfs/dbraw/zinc/37/80/76/211378076.db2.gz NUPJCAVXENBZOH-FLIBITNWSA-N 0 0 334.194 3.855 40 30 EHEBRN C[C@@H]1S/C(=N/N=C\c2ccco2)N(c2ccc(Cl)cc2)C1=O ZINC000009189570 211050376 /nfs/dbraw/zinc/05/03/76/211050376.db2.gz URYRQHGVPAQERO-ZFVRYDLISA-N 0 0 333.800 3.791 40 30 EHEBRN Cc1ccccc1/C=N\NC(=S)NC12CC3CC(CC(C3)C1)C2 ZINC000005030416 210367357 /nfs/dbraw/zinc/36/73/57/210367357.db2.gz CCRPKJXNCZHTAT-NDENLUEZSA-N 0 0 327.497 3.762 40 30 EHEBRN Cc1ccc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)o1 ZINC000409130209 257877578 /nfs/dbraw/zinc/87/75/78/257877578.db2.gz KTUQAHPWZVSBRG-JYRVWZFOSA-N 0 0 346.795 3.642 40 30 EHEBRN Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccncc2)S1 ZINC000408861679 257886981 /nfs/dbraw/zinc/88/69/81/257886981.db2.gz UTDKORPGJDQQPZ-ZSOIEALJSA-N 0 0 329.812 3.935 40 30 EHEBRN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(C)c([N+](=O)[O-])c1 ZINC000408739255 257889924 /nfs/dbraw/zinc/88/99/24/257889924.db2.gz AKDGANSAODUCOO-ZVCOJXFSSA-N 0 0 336.351 3.644 40 30 EHEBRN C#C[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@](O)(C#C)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000245240665 258005539 /nfs/dbraw/zinc/00/55/39/258005539.db2.gz RGONBQJNKIRXIP-WNCKLLFJSA-N 0 0 340.507 3.758 40 30 EHEBRN C=C(C)COc1cccc(C(=O)NCCc2ccc(OC)cc2)c1 ZINC000219778130 533518248 /nfs/dbraw/zinc/51/82/48/533518248.db2.gz RIKFMDKQQMEVKP-UHFFFAOYSA-N 0 0 325.408 3.623 40 30 EHEBRN C=CCn1cc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)c(C)n1 ZINC000013994016 519278232 /nfs/dbraw/zinc/27/82/32/519278232.db2.gz YIVGJLBTMQZTQJ-FQEVSTJZSA-N 0 0 343.446 3.698 40 30 EHEBRN CCOc1ccccc1/C=N\N1CCN(c2ccc(Cl)cc2)CC1 ZINC000015658573 521448166 /nfs/dbraw/zinc/44/81/66/521448166.db2.gz QEXPTQIKDGWUNB-QNGOZBTKSA-N 0 0 343.858 3.895 40 30 EHEBRN COc1ccc(/C=C\C(C[C@H](NO)c2ccc(OC)cc2)=N/O)cc1 ZINC000038798867 523434616 /nfs/dbraw/zinc/43/46/16/523434616.db2.gz NJAQMAVGELKCCS-NXXCJPPASA-N 0 0 342.395 3.657 40 30 EHEBRN COc1ccc(CN/N=C/c2ccccc2OC(C)C)cc1OC ZINC000020196286 524018081 /nfs/dbraw/zinc/01/80/81/524018081.db2.gz QZISYULFYRYNQI-FYJGNVAPSA-N 0 0 328.412 3.615 40 30 EHEBRN Cc1cccc(NCc2nnc(SCC#N)n2-c2ccccc2)c1 ZINC000004126261 524686671 /nfs/dbraw/zinc/68/66/71/524686671.db2.gz VXOHOWHCILXHNZ-UHFFFAOYSA-N 0 0 335.436 3.804 40 30 EHEBRN CCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1C#N ZINC000225810858 535271300 /nfs/dbraw/zinc/27/13/00/535271300.db2.gz QYLLZPYJXDZOPT-UHFFFAOYSA-N 0 0 330.428 3.881 40 30 EHEBRN COC(=O)c1ccc(Oc2c(N)cc(C#N)n2C2CCCC2)cc1 ZINC000225887258 536798564 /nfs/dbraw/zinc/79/85/64/536798564.db2.gz QXPBEKUBUQUGNO-UHFFFAOYSA-N 0 0 325.368 3.636 40 30 EHEBRN CC(=O)C(=NNc1ccccc1)Nc1ccc(Br)cc1 ZINC000006363212 563565809 /nfs/dbraw/zinc/56/58/09/563565809.db2.gz CVBFLWTWMPQJFX-UHFFFAOYSA-N 0 0 332.201 3.685 40 30 EHEBRN CCCCC(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000006634975 563575428 /nfs/dbraw/zinc/57/54/28/563575428.db2.gz MPVRGRLFOPVBBN-SNVBAGLBSA-N 0 0 335.498 3.748 40 30 EHEBRN Cc1cc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)c(C)s1 ZINC000001431753 563389246 /nfs/dbraw/zinc/38/92/46/563389246.db2.gz UBXIYBXFHOTVTB-CQSZACIVSA-N 0 0 346.496 3.801 40 30 EHEBRN Cc1ccc(C(=O)/C=C(/C(=O)c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000001621067 563397165 /nfs/dbraw/zinc/39/71/65/563397165.db2.gz FWGYGNSDPBEBCY-HKWRFOASSA-N 0 0 349.430 3.585 40 30 EHEBRN C=CCn1c(CCCC)nnc1SCC(=O)Nc1ccccc1F ZINC000408560852 563477319 /nfs/dbraw/zinc/47/73/19/563477319.db2.gz PQPWJHKGNADNBT-UHFFFAOYSA-N 0 0 348.447 3.677 40 30 EHEBRN C=CCn1c(CCCC)nnc1SCC(=O)Nc1ccccc1C ZINC000408560130 563477360 /nfs/dbraw/zinc/47/73/60/563477360.db2.gz CCMMVWHMFRWLON-UHFFFAOYSA-N 0 0 344.484 3.846 40 30 EHEBRN Cc1ccc(S(=O)(=O)N/N=C2/C=CC3(CCCCC3)CC2)cc1 ZINC000005431078 563532334 /nfs/dbraw/zinc/53/23/34/563532334.db2.gz HJTAZAJKJFHCAW-MNDPQUGUSA-N 0 0 332.469 3.930 40 30 EHEBRN Brc1ccc(N=Cc2n[nH]nc2-c2ccccc2)cc1 ZINC000005532106 563537401 /nfs/dbraw/zinc/53/74/01/563537401.db2.gz RBZJLSFATFVYRM-LICLKQGHSA-N 0 0 327.185 3.985 40 30 EHEBRN CCN1/C(=N/Cc2cccnc2)SC[C@]1(O)c1ccc(Cl)cc1 ZINC000005928143 563554330 /nfs/dbraw/zinc/55/43/30/563554330.db2.gz NWBVRDAZNKJPJR-IMGOXIFKSA-N 0 0 347.871 3.505 40 30 EHEBRN CCCCCCCCCCNC(=O)C(=O)NCCc1ccccc1 ZINC000408706701 563592686 /nfs/dbraw/zinc/59/26/86/563592686.db2.gz CRONZLZEFRZILP-UHFFFAOYSA-N 0 0 332.488 3.602 40 30 EHEBRN COc1cc(/C=N/N=C(\C)c2ccc(F)cc2)cc(OC)c1OC ZINC000008642245 563633975 /nfs/dbraw/zinc/63/39/75/563633975.db2.gz MHSJXUSWGFJHBC-HGEIODPWSA-N 0 0 330.359 3.695 40 30 EHEBRN C/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccc2ccccc2c1 ZINC000016932946 563826025 /nfs/dbraw/zinc/82/60/25/563826025.db2.gz GUKPILPRPDLFCE-HKWRFOASSA-N 0 0 338.432 3.851 40 30 EHEBRN COc1ccc2nc(C)c(C(=O)Nc3ccc(CC#N)cc3)cc2c1 ZINC000028437312 563902862 /nfs/dbraw/zinc/90/28/62/563902862.db2.gz UGXFIKOYSHFXAH-UHFFFAOYSA-N 0 0 331.375 3.870 40 30 EHEBRN Cc1nnc(S/C(=C\N(C)C)C(=O)c2c[nH]c3ccccc32)s1 ZINC000040326238 563922929 /nfs/dbraw/zinc/92/29/29/563922929.db2.gz FHIAFXOKHABVIZ-ZROIWOOFSA-N 0 0 344.465 3.706 40 30 EHEBRN CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1 ZINC000225793480 563967531 /nfs/dbraw/zinc/96/75/31/563967531.db2.gz DVPLCXCBZWCAJZ-LJQANCHMSA-N 0 0 332.444 3.983 40 30 EHEBRN CCCCN(CCCC)C(=O)C(=O)CC(=O)C=Cc1ccccc1 ZINC000104283450 563983560 /nfs/dbraw/zinc/98/35/60/563983560.db2.gz UNUICVBRAYIRIH-SEYXRHQNSA-N 0 0 329.440 3.657 40 30 EHEBRN C=CCN(c1ccccc1CC)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000224634406 563994500 /nfs/dbraw/zinc/99/45/00/563994500.db2.gz SJKOJQWVHQGDFU-UHFFFAOYSA-N 0 0 345.464 3.947 40 30 EHEBRN C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 ZINC000224686821 563994636 /nfs/dbraw/zinc/99/46/36/563994636.db2.gz HQMDHKRXNJRGGX-UHFFFAOYSA-N 0 0 331.437 3.693 40 30 EHEBRN C=CCN(c1ccccc1CC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000224997898 563995408 /nfs/dbraw/zinc/99/54/08/563995408.db2.gz AXLJCEBBKHYCMS-UHFFFAOYSA-N 0 0 346.408 3.539 40 30 EHEBRN COc1ccccc1NC(=O)CSc1nc2ccccc2cc1C#N ZINC000001330998 564003195 /nfs/dbraw/zinc/00/31/95/564003195.db2.gz VRQWICUKZMRRCF-UHFFFAOYSA-N 0 0 349.415 3.846 40 30 EHEBRN CC(C)NC(=O)COc1ccc(/C=N\c2ccccc2Cl)cc1 ZINC000408797123 564007315 /nfs/dbraw/zinc/00/73/15/564007315.db2.gz BIQQZSSAWDUSIS-JAIQZWGSSA-N 0 0 330.815 3.994 40 30 EHEBRN Cc1cc(C=NN2C(=S)N=NC2C)c(C)n1-c1cccc(Cl)c1 ZINC000408875289 564007771 /nfs/dbraw/zinc/00/77/71/564007771.db2.gz ITGRRZCINUCAHM-GIJQJNRQSA-N 0 0 345.859 3.818 40 30 EHEBRN C=CCc1cc(/C=C2\SC(=S)N(C)C2=O)cc(OCC)c1OC ZINC000409335388 564011802 /nfs/dbraw/zinc/01/18/02/564011802.db2.gz ZNGYWEOQQKOQLC-UVTDQMKNSA-N 0 0 349.477 3.653 40 30 EHEBRN Cc1nc2n(n1)[C@@H](c1ccccc1Cl)C1C(=O)C[C@@H](C)CC1=N2 ZINC000014164970 564021571 /nfs/dbraw/zinc/02/15/71/564021571.db2.gz YJEFMMIBAUDIRY-FVMDXXJSSA-N 0 0 328.803 3.508 40 30 EHEBRN C=CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)c1 ZINC000014783757 564023779 /nfs/dbraw/zinc/02/37/79/564023779.db2.gz QDKAVHOGDLMUGU-CQSZACIVSA-N 0 0 327.380 3.666 40 30 EHEBRN N#C[C@@H]1C[C@@](C#N)(C(=O)c2ccccc2)[C@H]2C=Cc3ccccc3N21 ZINC000005799802 564032982 /nfs/dbraw/zinc/03/29/82/564032982.db2.gz BUKNUGFWAHGGHV-DSKINZAPSA-N 0 0 325.371 3.577 40 30 EHEBRN CCc1cccc2c1NC(=O)C2=NNc1ccc(Br)cc1 ZINC000223732004 564040704 /nfs/dbraw/zinc/04/07/04/564040704.db2.gz SKHMNHPUPZGNPK-UHFFFAOYSA-N 0 0 344.212 3.780 40 30 EHEBRN CC(=O)Nc1nc(SCc2cccc3ccccc32)n(C(C)=O)n1 ZINC000059475074 564050766 /nfs/dbraw/zinc/05/07/66/564050766.db2.gz JWWDFRFPTJDIIX-UHFFFAOYSA-N 0 0 340.408 3.992 40 30 EHEBRN C=CCSc1nnc(NC(=O)c2cc(Cl)ccc2OC)s1 ZINC000007594145 564070853 /nfs/dbraw/zinc/07/08/53/564070853.db2.gz NADBESGPYGEDFX-UHFFFAOYSA-N 0 0 341.845 3.731 40 30 EHEBRN COc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)c(OC)c1 ZINC000005798368 564072312 /nfs/dbraw/zinc/07/23/12/564072312.db2.gz LRUOLNJPHNJETM-DNTJNYDQSA-N 0 0 325.290 3.564 40 30 EHEBRN C=CCOc1ccc(C(=O)Nc2nnc(SCC=C)s2)cc1 ZINC000030611964 564079298 /nfs/dbraw/zinc/07/92/98/564079298.db2.gz LKJWCLLJXZNBIB-UHFFFAOYSA-N 0 0 333.438 3.633 40 30 EHEBRN COC(=O)c1cc(-c2ccc(SC)cc2)n(-c2ccc(C#N)cc2)n1 ZINC000002527272 564120987 /nfs/dbraw/zinc/12/09/87/564120987.db2.gz VAWTZMMXBAIPDL-UHFFFAOYSA-N 0 0 349.415 3.919 40 30 EHEBRN Cc1cc(C)c2nc(SCC(=O)N3CCCCC3)c(C#N)cc2c1 ZINC000000411049 564133168 /nfs/dbraw/zinc/13/31/68/564133168.db2.gz GEAIJXGCVWRMCX-UHFFFAOYSA-N 0 0 339.464 3.828 40 30 EHEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccsc2)C1=O ZINC000409172979 564133723 /nfs/dbraw/zinc/13/37/23/564133723.db2.gz NFTNCTHHFLNCEE-VGOFMYFVSA-N 0 0 326.402 3.856 40 30 EHEBRN Cc1ccc([C@@H]2[C@H](C#N)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000252515018 564133781 /nfs/dbraw/zinc/13/37/81/564133781.db2.gz FUGFTAPNQSHIAB-GVDBMIGSSA-N 0 0 331.824 3.728 40 30 EHEBRN Cc1sc(NC(=S)NC(=O)c2ccccc2C)c(C#N)c1C ZINC000009140934 564134211 /nfs/dbraw/zinc/13/42/11/564134211.db2.gz QZIYQWSFTLHGCH-UHFFFAOYSA-N 0 0 329.450 3.672 40 30 EHEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(O)cc1 ZINC000004738104 210264207 /nfs/dbraw/zinc/26/42/07/210264207.db2.gz ANRLTEVGNZUYCT-QGMBQPNBSA-N 0 0 325.246 3.765 40 30 EHEBRN Cn1c2ccccc2s/c1=N/N=C\c1ccccc1Br ZINC000004719045 210257591 /nfs/dbraw/zinc/25/75/91/210257591.db2.gz ZFNXDMXHLTYVRO-CMRCDMOWSA-N 0 0 346.253 3.937 40 30 EHEBRN C=CCN1C(=O)/C(=C\C=C/c2ccc(N(C)C)cc2)SC1=S ZINC000004713867 210256566 /nfs/dbraw/zinc/25/65/66/210256566.db2.gz QHHHHHYCNPUZFY-LPWWCAIVSA-N 0 0 330.478 3.696 40 30 EHEBRN C=CCNc1nc(Cl)nc(Nc2cc(Cl)ccc2OC)n1 ZINC000004560023 210221099 /nfs/dbraw/zinc/22/10/99/210221099.db2.gz HLNBMOPKDMBZTR-UHFFFAOYSA-N 0 0 326.187 3.529 40 30 EHEBRN O=C(O/N=C\c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000004471808 210194874 /nfs/dbraw/zinc/19/48/74/210194874.db2.gz XHWVWXBXCDBJKG-SXGWCWSVSA-N 0 0 349.140 3.548 40 30 EHEBRN COc1ccc(-n2cnc(Cl)c2C=NNc2ccccc2)cc1 ZINC000040150493 213273552 /nfs/dbraw/zinc/27/35/52/213273552.db2.gz MJQPFXLUEVOCNP-RGVLZGJSSA-N 0 0 326.787 3.980 40 30 EHEBRN CC(C)(C)OC(=O)N1CCC(COc2ccc(C#N)c(F)c2)CC1 ZINC000039954320 213244837 /nfs/dbraw/zinc/24/48/37/213244837.db2.gz XNPXOJHWDCZFSN-UHFFFAOYSA-N 0 0 334.391 3.723 40 30 EHEBRN O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1ccc(Cl)cc1Cl)[C@H]1C=C[C@@H]2CC1 ZINC000035999558 213054135 /nfs/dbraw/zinc/05/41/35/213054135.db2.gz IMGRXSFQDPMUBV-JEFZTUORSA-N 0 0 349.217 3.525 40 30 EHEBRN CCN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224710083 241776665 /nfs/dbraw/zinc/77/66/65/241776665.db2.gz AVOVREUYRIWYEB-UHFFFAOYSA-N 0 0 334.828 3.621 40 30 EHEBRN C=CCOc1ccc(N(CC=C)S(=O)(=O)c2ccccc2)cc1 ZINC000224679697 241771528 /nfs/dbraw/zinc/77/15/28/241771528.db2.gz KOHZJZCUMDKUOM-UHFFFAOYSA-N 0 0 329.421 3.633 40 30 EHEBRN CO[C@@]1(C(=O)Nc2ccc(OC(C)C)cc2C#N)CCC[C@H](C)C1 ZINC000225809239 242046375 /nfs/dbraw/zinc/04/63/75/242046375.db2.gz YZGQQCHUSSXQDC-LIRRHRJNSA-N 0 0 330.428 3.879 40 30 EHEBRN Cc1ccc(Cn2nc(OCc3ccc(C)cc3C)c(C#N)c2N)cc1 ZINC000225846263 242061269 /nfs/dbraw/zinc/06/12/69/242061269.db2.gz OOMGNNUNGDAMID-UHFFFAOYSA-N 0 0 346.434 3.890 40 30 EHEBRN Cc1ccc(COc2nn(Cc3ccc(C)cc3)c(N)c2C#N)cc1 ZINC000225846134 242061524 /nfs/dbraw/zinc/06/15/24/242061524.db2.gz PFBCWSPJPNSISY-UHFFFAOYSA-N 0 0 332.407 3.581 40 30 EHEBRN CC(C)Cc1c(N)cc(C#N)n1Cc1ccc(Br)cc1 ZINC000225855370 242062126 /nfs/dbraw/zinc/06/21/26/242062126.db2.gz ONHVJGJKOWNFTG-UHFFFAOYSA-N 0 0 332.245 3.951 40 30 EHEBRN CCCO[C@](C)(C(=O)Nc1ccc(OC(C)C)cc1C#N)C1CC1 ZINC000225858595 242065201 /nfs/dbraw/zinc/06/52/01/242065201.db2.gz BYEWMGCKFTVBSO-IBGZPJMESA-N 0 0 330.428 3.879 40 30 EHEBRN Cc1ccc(Cn2c(C#N)cc(N)c2Oc2ccc3c(c2)OCO3)cc1 ZINC000225886417 242071327 /nfs/dbraw/zinc/07/13/27/242071327.db2.gz NRCJSAUXNROGAF-UHFFFAOYSA-N 0 0 347.374 3.820 40 30 EHEBRN N#Cc1cc(N)c(Sc2ccc(Cl)cc2)n1C[C@H]1CCCO1 ZINC000225888914 242072066 /nfs/dbraw/zinc/07/20/66/242072066.db2.gz QKKYXICRQKJMFS-CYBMUJFWSA-N 0 0 333.844 3.926 40 30 EHEBRN C#CCOC(=O)/C=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000226257159 242092294 /nfs/dbraw/zinc/09/22/94/242092294.db2.gz NLGZQBRBIBVOHN-VMPITWQZSA-N 0 0 331.711 3.698 40 30 EHEBRN CC1(C)[C@H]2C[C@@H]1C(=CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC2 ZINC000020927044 212188268 /nfs/dbraw/zinc/18/82/68/212188268.db2.gz OPBYQHHZJNCLID-FZIHFEGISA-N 0 0 330.344 3.893 40 30 EHEBRN C#CCOC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000085346877 217660074 /nfs/dbraw/zinc/66/00/74/217660074.db2.gz LSHWKJKBKLTYDQ-VMPITWQZSA-N 0 0 331.711 3.698 40 30 EHEBRN C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1Cc1c[nH]nc1N2 ZINC000008652870 210976264 /nfs/dbraw/zinc/97/62/64/210976264.db2.gz HLHKREHATSPYJP-FPPGBKCQSA-N 0 0 325.456 3.868 40 30 EHEBRN CCN(CC)C(=O)CSc1nc2c(C)cc(C)cc2cc1C#N ZINC000004849136 210299217 /nfs/dbraw/zinc/29/92/17/210299217.db2.gz HKQKRCOSPNPUSW-UHFFFAOYSA-N 0 0 327.453 3.684 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C ZINC000118916618 221203083 /nfs/dbraw/zinc/20/30/83/221203083.db2.gz WKLSIBAACVYLOP-KDZLLLCRSA-N 0 0 348.458 3.642 40 30 EHEBRN CC[C@]1(O)CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118913921 221203204 /nfs/dbraw/zinc/20/32/04/221203204.db2.gz ZCFJEQCDYPITIH-TTYLFXKOSA-N 0 0 330.468 3.838 40 30 biogenic,in-vitro EHEBRN C#CCOc1c(Cl)cc(/C=C2/c3ccccc3NC2=O)cc1OC ZINC000409112014 257878627 /nfs/dbraw/zinc/87/86/27/257878627.db2.gz JRVZAHRGEWVRNW-ZROIWOOFSA-N 0 0 339.778 3.853 40 30 EHEBRN Cc1ccc(S(=O)(=O)O/N=C2/CCSc3ccccc32)cc1 ZINC000005105385 257911391 /nfs/dbraw/zinc/91/13/91/257911391.db2.gz WICWZTPSMWAXJA-ICFOKQHNSA-N 0 0 333.434 3.600 40 30 EHEBRN C#C[C@]1(O)CC[C@@H]2[C@H]3CC[C@H]4C[C@](O)(C#C)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253596443 258014910 /nfs/dbraw/zinc/01/49/10/258014910.db2.gz RGONBQJNKIRXIP-YIMJPLONSA-N 0 0 340.507 3.758 40 30 EHEBRN C#CCn1c(C)c(C=NNc2nc3ccccc3[nH]2)c2ccccc21 ZINC000014134280 262503495 /nfs/dbraw/zinc/50/34/95/262503495.db2.gz NJRIOFDOORFGTN-FYJGNVAPSA-N 0 0 327.391 3.905 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)s1 ZINC000039989287 519087461 /nfs/dbraw/zinc/08/74/61/519087461.db2.gz YJDZYKLIXPOMAH-GFCCVEGCSA-N 0 0 349.481 3.839 40 30 EHEBRN CCOC(=O)/C(=C/c1ccc(OC)c(OC)c1)C(=O)c1ccccc1 ZINC000005828043 520392762 /nfs/dbraw/zinc/39/27/62/520392762.db2.gz KDSAZSRAGUJYGY-FOWTUZBSSA-N 0 0 340.375 3.533 40 30 EHEBRN O=C(OCC(F)(F)C(F)F)OCC(F)(F)[C@H](F)C(F)(F)F ZINC000169795660 534552469 /nfs/dbraw/zinc/55/24/69/534552469.db2.gz FVWFSBHHPHVRPS-VKHMYHEASA-N 0 0 340.113 3.576 40 30 EHEBRN CCO[C@](C)(C(=O)Nc1ccc(O[C@H](C)CC)cc1C#N)C1CC1 ZINC000225836774 535651482 /nfs/dbraw/zinc/65/14/82/535651482.db2.gz RMJZMPRRFTZANJ-YJYMSZOUSA-N 0 0 330.428 3.879 40 30 EHEBRN COc1ccc(Oc2c(N)cc(C#N)n2Cc2ccc(F)cc2)cc1 ZINC000225884751 536864974 /nfs/dbraw/zinc/86/49/74/536864974.db2.gz BYYMJRKHRYPQFL-UHFFFAOYSA-N 0 0 337.354 3.930 40 30 EHEBRN O=C1CS/C(=N\c2ccccc2)N1CCc1c[nH]c2ccccc12 ZINC000001100146 563374431 /nfs/dbraw/zinc/37/44/31/563374431.db2.gz HFSUCEFJEZWSCH-VZCXRCSSSA-N 0 0 335.432 3.974 40 30 EHEBRN C[C@]12CC[C@@H]3C[C@@]1(C#N)N(C(=O)c1ccc(Br)o1)C[C@@]32C ZINC000001448251 563389872 /nfs/dbraw/zinc/38/98/72/563389872.db2.gz ZKZLJOVQIXPTCG-NWLYGAKOSA-N 0 0 349.228 3.587 40 30 EHEBRN CCO/C=C1/C(=O)C=C(C)C[C@H]1c1ccc(OC)c(OC)c1OC ZINC000001668916 563401415 /nfs/dbraw/zinc/40/14/15/563401415.db2.gz QQAVAYYMUFZIKB-AYYGCFCKSA-N 0 0 332.396 3.636 40 30 EHEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(N3CCCC3)c(F)c2)c1 ZINC000408595107 563494230 /nfs/dbraw/zinc/49/42/30/563494230.db2.gz VQARWCSUOHVFLE-UDWIEESQSA-N 0 0 343.358 3.885 40 30 EHEBRN N#Cc1ccccc1CO/N=C/c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000408596798 563495132 /nfs/dbraw/zinc/49/51/32/563495132.db2.gz VACWWHDIKDZRIH-FYJGNVAPSA-N 0 0 346.346 3.808 40 30 EHEBRN O=C(/C(Br)=C/c1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000005105161 563521287 /nfs/dbraw/zinc/52/12/87/563521287.db2.gz ARQMEZWDPDIQJV-LCYFTJDESA-N 0 0 333.141 3.609 40 30 EHEBRN O=C(c1ccc(Cl)cc1)[C@H](O)N=C(S)c1ccc(Cl)cc1 ZINC000006512274 563570845 /nfs/dbraw/zinc/57/08/45/563570845.db2.gz LLWWJZXKLWIDQM-AWEZNQCLSA-N 0 0 340.231 3.871 40 30 EHEBRN CCn1c2ccccc2nc1NN=C(C)c1ccc(OC)c(OC)c1 ZINC000408692724 563573945 /nfs/dbraw/zinc/57/39/45/563573945.db2.gz SZBFDBDWTNIOIT-BKUYFWCQSA-N 0 0 338.411 3.910 40 30 EHEBRN CCCCCCCCCCNC(=O)C(=O)NCc1cccc(C)c1 ZINC000408707065 563595035 /nfs/dbraw/zinc/59/50/35/563595035.db2.gz JBNLUUJWVIPKDQ-UHFFFAOYSA-N 0 0 332.488 3.868 40 30 EHEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc([N+](=O)[O-])o3)S2)c(C)c1 ZINC000408723836 563622100 /nfs/dbraw/zinc/62/21/00/563622100.db2.gz SYVQTLKBYLXNBB-MDWZMJQESA-N 0 0 343.364 3.696 40 30 EHEBRN C[C@@]12CC[C@H]3[C@H](CCC4=CC(=O)CC[C@]43C)[C@H]1Cc1c[nH]nc1N2 ZINC000008652871 563634202 /nfs/dbraw/zinc/63/42/02/563634202.db2.gz HLHKREHATSPYJP-OCBLOMHFSA-N 0 0 325.456 3.868 40 30 EHEBRN COC1=C(C)[C@H]2CC(=O)O[C@@H]3C[C@H]4CCCC[C@@]4(C)[C@@H](C1=O)[C@]32C ZINC000008659487 563634618 /nfs/dbraw/zinc/63/46/18/563634618.db2.gz GQMXVFMCJJFXBG-MQPCCCAWSA-N 0 0 332.440 3.644 40 30 EHEBRN O=c1nc(NN=Cc2ccccc2)n(-c2ccccc2)c2ccccc12 ZINC000408732618 563634971 /nfs/dbraw/zinc/63/49/71/563634971.db2.gz SQVMMVBCTPBDNP-PXLXIMEGSA-N 0 0 340.386 3.666 40 30 EHEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccncc3)S2)cc1Cl ZINC000408738068 563635327 /nfs/dbraw/zinc/63/53/27/563635327.db2.gz IQNDSQJIWFQADU-ZSOIEALJSA-N 0 0 329.812 3.935 40 30 EHEBRN CCOC(=O)C=C(C)NNc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC000016682222 563820652 /nfs/dbraw/zinc/82/06/52/563820652.db2.gz COIBBSKSCHJNGA-VIZOYTHASA-N 0 0 334.159 3.643 40 30 EHEBRN O=C1NCCN1N=Cc1c(Cl)n(-c2ccccc2)c2ccccc12 ZINC000031871031 563913136 /nfs/dbraw/zinc/91/31/36/563913136.db2.gz QQPVSOPLFJRVKJ-MTJSOVHGSA-N 0 0 338.798 3.643 40 30 EHEBRN CC(=O)O[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]3CCC(=O)[C@]3(C)CC[C@H]12 ZINC000257345839 563970851 /nfs/dbraw/zinc/97/08/51/563970851.db2.gz KOSODIXFXCTYHT-XBNJKRACSA-N 0 0 344.451 3.629 40 30 EHEBRN C=CCc1cc(C(=O)NCCOc2ccc(Cl)cc2)ccc1OC ZINC000224125865 563992589 /nfs/dbraw/zinc/99/25/89/563992589.db2.gz LJTHYMUJCHVTLX-UHFFFAOYSA-N 0 0 345.826 3.886 40 30 EHEBRN Cc1cc(/C=N/NC(N)=S)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000408925585 564008045 /nfs/dbraw/zinc/00/80/45/564008045.db2.gz SFASFCPRWVLBPQ-CNHKJKLMSA-N 0 0 341.267 3.568 40 30 EHEBRN C=CCN1C(=O)N/C(=C\c2ccccc2Sc2ccccc2)C1=O ZINC000409127971 564010414 /nfs/dbraw/zinc/01/04/14/564010414.db2.gz RZNLYVAPBNDJSF-SSZFMOIBSA-N 0 0 336.416 3.917 40 30 EHEBRN O=C1c2ccccc2S/C1=N/Nc1cc([N+](=O)[O-])ccc1Cl ZINC000105670718 564014257 /nfs/dbraw/zinc/01/42/57/564014257.db2.gz UUCSKXAXPXPKRY-SAPNQHFASA-N 0 0 333.756 3.962 40 30 EHEBRN CCOC(=O)/C(=N/Nc1ccccc1Cl)N(C)C1CCCCC1 ZINC000013139278 564019598 /nfs/dbraw/zinc/01/95/98/564019598.db2.gz FYJNZHPFVLWURE-SILNSSARSA-N 0 0 337.851 3.893 40 30 EHEBRN C[C@@H](C#N)CN1N=C(c2ccccc2)Cn2c3ccsc3cc2C1=O ZINC000013564666 564020138 /nfs/dbraw/zinc/02/01/38/564020138.db2.gz KHTCZWSCGHMELV-ZDUSSCGKSA-N 0 0 348.431 3.723 40 30 EHEBRN CC/N=C1/Sc2nc3ccc(OCC)cc3cc2CN1CCOC ZINC000013858313 564020707 /nfs/dbraw/zinc/02/07/07/564020707.db2.gz DZMLPDDVCIASFM-VHEBQXMUSA-N 0 0 345.468 3.564 40 30 EHEBRN O=C1c2ccccc2C(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CCCC1 ZINC000016406578 564024620 /nfs/dbraw/zinc/02/46/20/564024620.db2.gz IRWMIXVTVABYNE-UHFFFAOYSA-N 0 0 348.358 3.658 40 30 EHEBRN FC(F)(F)C(Oc1ccc(Cl)nn1)(C(F)(F)F)C(F)(F)F ZINC000604221499 564034336 /nfs/dbraw/zinc/03/43/36/564034336.db2.gz CEJUCFVGCNCSNO-UHFFFAOYSA-N 0 0 348.552 3.935 40 30 EHEBRN N#CCc1ccc(NC(=S)NCCSCc2ccccc2)cc1 ZINC000225289467 564045690 /nfs/dbraw/zinc/04/56/90/564045690.db2.gz XVPRWTCTJGMFDH-UHFFFAOYSA-N 0 0 341.505 3.972 40 30 EHEBRN C=CCOc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2OC)cc1 ZINC000032412434 564079357 /nfs/dbraw/zinc/07/93/57/564079357.db2.gz OKWDQOFHCGFXJA-AWEZNQCLSA-N 0 0 341.407 3.760 40 30 EHEBRN C#CCn1c(C)c(C=NNc2nc3ccccc3n2C)c2ccccc21 ZINC000007343400 564126675 /nfs/dbraw/zinc/12/66/75/564126675.db2.gz YPOCJBFYZTUREQ-HYARGMPZSA-N 0 0 341.418 3.916 40 30 EHEBRN O=C(/N=C1\N=C2N=CC=CN2Cc2ccccc21)c1ccc(Cl)cc1 ZINC000013307061 564136212 /nfs/dbraw/zinc/13/62/12/564136212.db2.gz ONOLVSICWQAGKU-XLNRJJMWSA-N 0 0 348.793 3.697 40 30 EHEBRN C=CCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1OCC ZINC000207054959 1127932567 /nfs/dbraw/zinc/93/25/67/1127932567.db2.gz AKWNBPTWRGZDGY-PTNGSMBKSA-N 0 0 349.477 3.871 40 30 EHEBRN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(O)=C(C=O)C[C@]34C)[C@@H]1CCC(=O)O2 ZINC000004430616 210192482 /nfs/dbraw/zinc/19/24/82/210192482.db2.gz IAEXPESVUCYINT-FJLHZJIFSA-N 0 0 332.440 3.946 40 30 EHEBRN CC(=O)[C@H]1[C@@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000000901827 209693979 /nfs/dbraw/zinc/69/39/79/209693979.db2.gz LOVNYFVWYTXDRE-MQWPULPWSA-N 0 0 330.468 3.694 40 30 in-vitro EHEBRN CN(CCC#N)C(=O)c1cccc(OCc2ccccc2Cl)c1 ZINC000022258585 212286715 /nfs/dbraw/zinc/28/67/15/212286715.db2.gz ARJFOHWQJKGQFU-UHFFFAOYSA-N 0 0 328.799 3.905 40 30 EHEBRN N#Cc1c(N)n(Cc2cccc(F)c2)nc1Cc1ccc(Cl)cc1 ZINC000225841855 242059239 /nfs/dbraw/zinc/05/92/39/242059239.db2.gz ARMVUIMLUNCNCZ-UHFFFAOYSA-N 0 0 340.789 3.769 40 30 EHEBRN CCCO[C@@]1(C(=O)Nc2ccc(OC)c(C#N)c2)CCC[C@@H](C)C1 ZINC000225854377 242063637 /nfs/dbraw/zinc/06/36/37/242063637.db2.gz FMOKRCAUPWPVHN-KUHUBIRLSA-N 0 0 330.428 3.881 40 30 EHEBRN N#Cc1cc(N)c(N2CCCC2)n1Cc1ccc(Cl)cc1Cl ZINC000225864843 242066414 /nfs/dbraw/zinc/06/64/14/242066414.db2.gz PQVLLQQHRGQAAB-UHFFFAOYSA-N 0 0 335.238 3.897 40 30 EHEBRN CC[C@@H]1S/C(=N/N=C\c2ccco2)N(c2ccc(F)cc2)C1=O ZINC000009189568 211050921 /nfs/dbraw/zinc/05/09/21/211050921.db2.gz XCNZYAJNAYUKSU-MMSFWJGYSA-N 0 0 331.372 3.667 40 30 EHEBRN CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC#N)cc1 ZINC000005150501 210401200 /nfs/dbraw/zinc/40/12/00/210401200.db2.gz HNRZDNFXDSDREU-HKBOAZHASA-N 0 0 341.499 3.724 40 30 EHEBRN C=CCc1cc(C(=O)Nc2cccc(C(=O)OC)c2C)ccc1OC ZINC000408703095 257892489 /nfs/dbraw/zinc/89/24/89/257892489.db2.gz MVTNIKPTKYJCTL-UHFFFAOYSA-N 0 0 339.391 3.771 40 30 EHEBRN C=C(C(=O)C(=O)Oc1ccc(Cl)cc1)C(=O)c1ccc(C)cc1 ZINC000001624527 518584972 /nfs/dbraw/zinc/58/49/72/518584972.db2.gz NALSGSAXTMDTKI-UHFFFAOYSA-N 0 0 328.751 3.562 40 30 EHEBRN C=CCNC(=O)c1ccccc1NC(=O)CCc1ccccc1Cl ZINC000010457902 518939472 /nfs/dbraw/zinc/93/94/72/518939472.db2.gz HKIJTROUJSPETQ-UHFFFAOYSA-N 0 0 342.826 3.827 40 30 EHEBRN CCCOc1ccccc1/C=N/NCc1ccc(OC)c(OC)c1 ZINC000020196284 520472340 /nfs/dbraw/zinc/47/23/40/520472340.db2.gz KMHLQIPQURKYLL-KGENOOAVSA-N 0 0 328.412 3.616 40 30 EHEBRN CCc1ccc(C=Nn2cnnc2N=NCc2ccc(CC)cc2)cc1 ZINC000033560854 523875580 /nfs/dbraw/zinc/87/55/80/523875580.db2.gz PNAOITBUIZZEQS-SXCHYNCESA-N 0 0 346.438 3.731 40 30 EHEBRN N#CCc1ccc(NC(=S)NCCOc2ccccc2Cl)cc1 ZINC000225779804 526484500 /nfs/dbraw/zinc/48/45/00/526484500.db2.gz XOMLVRIRXGZDNO-UHFFFAOYSA-N 0 0 345.855 3.771 40 30 EHEBRN NC(=S)N/N=C/c1cc(Cl)c2nc(-c3ccccc3)ccc2c1 ZINC000016975597 527109986 /nfs/dbraw/zinc/10/99/86/527109986.db2.gz UEQSMIMSCLQGKM-KEBDBYFISA-N 0 0 340.839 3.722 40 30 EHEBRN CCCCCc1c(N)cc(C#N)n1CCOc1ccccc1OC ZINC000225862661 535140327 /nfs/dbraw/zinc/14/03/27/535140327.db2.gz QGCDTBKYHOSLPR-UHFFFAOYSA-N 0 0 327.428 3.762 40 30 EHEBRN CCO[C@@](C)(C(=O)Nc1ccc(OCC(C)C)c(C#N)c1)C1CC1 ZINC000225836417 535544281 /nfs/dbraw/zinc/54/42/81/535544281.db2.gz IIIHCSQHRYWPTA-LJQANCHMSA-N 0 0 330.428 3.737 40 30 EHEBRN CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(C)cc3)[C@@H]2C#N)cc1 ZINC000218564895 536194831 /nfs/dbraw/zinc/19/48/31/536194831.db2.gz DQVARHGFUIUDEZ-QRVBRYPASA-N 0 0 325.433 3.637 40 30 EHEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccccc2Br)c1 ZINC000021038310 564033606 /nfs/dbraw/zinc/03/36/06/564033606.db2.gz PPXRMUJJXKPRBH-CXUHLZMHSA-N 0 0 335.157 3.908 40 30 EHEBRN CN(C)c1ccc(/C=C2\S/C(=N\c3ccccc3F)NC2=O)cc1 ZINC000005520006 563536493 /nfs/dbraw/zinc/53/64/93/563536493.db2.gz ZQHUVQCYIVIJDO-WJDWOHSUSA-N 0 0 341.411 3.783 40 30 EHEBRN CCCCCCOc1ccc(C=NN2C(=O)CSC2=S)cc1 ZINC000006050890 563558362 /nfs/dbraw/zinc/55/83/62/563558362.db2.gz WHZBIZJYABFBFD-GZTJUZNOSA-N 0 0 336.482 3.840 40 30 EHEBRN CCCCCCCNC(=O)C(=O)Nc1ccc(OCC(C)C)cc1 ZINC000408709946 563599081 /nfs/dbraw/zinc/59/90/81/563599081.db2.gz ZTJAQOXMAXMVBB-UHFFFAOYSA-N 0 0 334.460 3.747 40 30 EHEBRN CCS[C@@H]1C=C(c2ccc(Br)cc2)OC(=O)[C@H]1C#N ZINC000016693622 563820679 /nfs/dbraw/zinc/82/06/79/563820679.db2.gz AGSWPIANMQNOJV-WCQYABFASA-N 0 0 338.226 3.608 40 30 EHEBRN COC1=C(C)[C@H]2CC(=O)O[C@@H]3C[C@H]4CCCC[C@]4(C)[C@H](C1=O)[C@]32C ZINC000033781965 563916592 /nfs/dbraw/zinc/91/65/92/563916592.db2.gz GQMXVFMCJJFXBG-MQZIUGBBSA-N 0 0 332.440 3.644 40 30 EHEBRN C=CCSc1nnc(NC(=O)CCc2ccc(OC)c(C)c2)s1 ZINC000224594228 563994445 /nfs/dbraw/zinc/99/44/45/563994445.db2.gz OOJCMLICOIGVFR-UHFFFAOYSA-N 0 0 349.481 3.705 40 30 EHEBRN C=CCN(c1c(C)cccc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000224997240 563995427 /nfs/dbraw/zinc/99/54/27/563995427.db2.gz IFHTZXDGROOKGG-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN N#C[C@H]1C[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2c3ccccc3C=C[C@@H]12 ZINC000006277004 564006365 /nfs/dbraw/zinc/00/63/65/564006365.db2.gz NNPCLIFHNIPTRX-MNEFBYGVSA-N 0 0 345.358 3.592 40 30 EHEBRN Cc1cc(C)nc(N=NCc2cccn2-c2ccc(Cl)cc2)n1 ZINC000408844165 564007522 /nfs/dbraw/zinc/00/75/22/564007522.db2.gz HDFPMEPPIADUCM-ODLFYWEKSA-N 0 0 325.803 3.984 40 30 EHEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc([N+](=O)[O-])o3)C(=O)N2C)cc1 ZINC000408906685 564007915 /nfs/dbraw/zinc/00/79/15/564007915.db2.gz JQFMCCRUROPTEI-DOHLHOOPSA-N 0 0 343.364 3.730 40 30 EHEBRN CC[C@@H](C)Oc1c(CN=Nc2ccc([N+](=O)[O-])cn2)cccc1OC ZINC000408914572 564007989 /nfs/dbraw/zinc/00/79/89/564007989.db2.gz YLWLZTRBFCEEFA-FGHSJCFPSA-N 0 0 344.371 3.622 40 30 EHEBRN Cc1cc(N2CCCC2)ccc1/C=N\NC(=S)Nc1ccccc1 ZINC000408961642 564008352 /nfs/dbraw/zinc/00/83/52/564008352.db2.gz UHXLOHMWMUSPFJ-ZHZULCJRSA-N 0 0 338.480 3.916 40 30 EHEBRN COc1ccc(Cl)cc1/N=C/c1ccc(N2CCOCC2)cc1 ZINC000409105203 564010088 /nfs/dbraw/zinc/01/00/88/564010088.db2.gz JSYINWYUZKQVRN-DEDYPNTBSA-N 0 0 330.815 3.936 40 30 EHEBRN O=C(COc1ccc(/C=N/O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409222772 564011214 /nfs/dbraw/zinc/01/12/14/564011214.db2.gz CNITWGFYFMUVHL-QGMBQPNBSA-N 0 0 339.178 3.819 40 30 EHEBRN COC(=O)CC(=O)C(Cl)=C(Cl)C(Cl)=C(Cl)Cl ZINC000003075322 564013525 /nfs/dbraw/zinc/01/35/25/564013525.db2.gz KGUOUAYDJACLRN-AATRIKPKSA-N 0 0 326.390 3.693 40 30 EHEBRN O=C1c2ccccc2C2=C1[C@@H](c1ccccc1)C1=C(CCCC1=O)N2 ZINC000104709700 564013948 /nfs/dbraw/zinc/01/39/48/564013948.db2.gz DQVDPHQDWHIDHC-SFHVURJKSA-N 0 0 327.383 3.988 40 30 EHEBRN C#C[C@@](O)(c1ccc(C)cc1)[C@@H]1CC[C@@H]1[C@@](O)(C#C)c1ccc(C)cc1 ZINC000006845913 564015178 /nfs/dbraw/zinc/01/51/78/564015178.db2.gz BHRAKBJCLIOPRY-UEQSERJNSA-N 0 0 344.454 3.671 40 30 EHEBRN C=CCOc1ccc(/C=N/NCc2ccccc2OC)cc1OCC ZINC000020763162 564033442 /nfs/dbraw/zinc/03/34/42/564033442.db2.gz OMEARWDHUITAHC-KGENOOAVSA-N 0 0 340.423 3.782 40 30 EHEBRN CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)cc1C#N ZINC000225793894 564049740 /nfs/dbraw/zinc/04/97/40/564049740.db2.gz PWNFXUNWWHQMGD-IBGZPJMESA-N 0 0 332.444 3.983 40 30 EHEBRN CCCCCCCCCCCCCCCC(=O)[C@@H](O)[C@@H](O)CO ZINC000113364020 564065435 /nfs/dbraw/zinc/06/54/35/564065435.db2.gz JDDQUGLCHBTOIL-RBUKOAKNSA-N 0 0 330.509 3.751 40 30 EHEBRN CC(C)CSc1nc(N)c(C#N)c(Cc2ccc(Cl)cc2)n1 ZINC000223668056 564081725 /nfs/dbraw/zinc/08/17/25/564081725.db2.gz FXEYJYHJBLUSHC-UHFFFAOYSA-N 0 0 332.860 3.923 40 30 EHEBRN CCOC(=O)/C(=N/Nc1ccccc1Cl)N1C[C@@H](C)C[C@H](C)C1 ZINC000035426769 564085861 /nfs/dbraw/zinc/08/58/61/564085861.db2.gz RHWHKFRIEKNBTJ-XVCXAGHRSA-N 0 0 337.851 3.606 40 30 EHEBRN CC(C)(C)OC(=O)n1c(-c2cccc(=O)[nH]2)cc2cc(C#N)ccc21 ZINC000096311880 564093431 /nfs/dbraw/zinc/09/34/31/564093431.db2.gz HLVLEHSYDURDMD-UHFFFAOYSA-N 0 0 335.363 3.651 40 30 EHEBRN CCN(CC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 ZINC000060512627 564128592 /nfs/dbraw/zinc/12/85/92/564128592.db2.gz AIYKXVOWBRXGPC-UHFFFAOYSA-N 0 0 339.464 3.964 40 30 EHEBRN O=C(c1ccccc1)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccco1 ZINC000107587586 564129956 /nfs/dbraw/zinc/12/99/56/564129956.db2.gz XSCWUAWURGWXEM-IBGZPJMESA-N 0 0 344.370 3.928 40 30 EHEBRN Cc1ccc([C@@H]2[C@@H](C#N)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000252515017 564133812 /nfs/dbraw/zinc/13/38/12/564133812.db2.gz FUGFTAPNQSHIAB-BRWVUGGUSA-N 0 0 331.824 3.728 40 30 EHEBRN Cc1ccc(-n2nc(C#N)c(N3CC[C@@H](c4ccccc4)C3)n2)c(C)c1 ZINC000256046045 564134690 /nfs/dbraw/zinc/13/46/90/564134690.db2.gz CIYOQTBZRWXYAW-GOSISDBHSA-N 0 0 343.434 3.750 40 30 EHEBRN CCOc1ccccc1-n1nc(C#N)c(N(CC)Cc2ccccc2)n1 ZINC000256048299 564134716 /nfs/dbraw/zinc/13/47/16/564134716.db2.gz SABBIFYUJCHTSI-UHFFFAOYSA-N 0 0 347.422 3.564 40 30 EHEBRN COc1ccc(CO/N=C(\C)c2ccc(NC(C)=O)cc2)cc1F ZINC000022323090 564149100 /nfs/dbraw/zinc/14/91/00/564149100.db2.gz AATZFOBRVNCRPG-CIAFOILYSA-N 0 0 330.359 3.734 40 30 EHEBRN C[C@H]1C[C@H](C)CN(c2c(N)cc(C#N)n2Cc2cccc(F)c2)C1 ZINC000225868116 564150843 /nfs/dbraw/zinc/15/08/43/564150843.db2.gz BMASLHQGRFAARQ-KBPBESRZSA-N 0 0 326.419 3.612 40 30 EHEBRN C=CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 ZINC000100056089 219089640 /nfs/dbraw/zinc/08/96/40/219089640.db2.gz HFSDCGQZBRMPPA-WOZUAGRISA-N 0 0 343.426 3.911 40 30 EHEBRN N#Cc1cc2c(nc1SCC(=O)Nc1ccccc1F)CCCC2 ZINC000004499306 210204956 /nfs/dbraw/zinc/20/49/56/210204956.db2.gz ZHRHYRUDYDKIGX-UHFFFAOYSA-N 0 0 341.411 3.702 40 30 EHEBRN COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C ZINC000040107318 213265920 /nfs/dbraw/zinc/26/59/20/213265920.db2.gz HYTMBMKVNRHTFC-INMHGKMJSA-N 0 0 344.455 3.667 40 30 EHEBRN CC(C)(C)OC(=O)N1CCC[C@@H](Oc2ccc(C#N)c(Cl)c2)C1 ZINC000039954293 213244426 /nfs/dbraw/zinc/24/44/26/213244426.db2.gz SNTCWMMJIUCNGW-CQSZACIVSA-N 0 0 336.819 3.990 40 30 EHEBRN CC[C@@H](C)NC(=O)CSc1nc2c(C)c(C)ccc2cc1C#N ZINC000000413497 209576812 /nfs/dbraw/zinc/57/68/12/209576812.db2.gz JRVZSKULYVBMCV-GFCCVEGCSA-N 0 0 327.453 3.730 40 30 EHEBRN CSc1nc2n(n1)[C@H](c1cccc(C)c1)C1C(=O)C[C@H](C)CC1=N2 ZINC000022608436 212310127 /nfs/dbraw/zinc/31/01/27/212310127.db2.gz QJRYOYFWPRZLOV-BDJLRTHQSA-N 0 0 340.452 3.576 40 30 EHEBRN CSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000022608279 212309871 /nfs/dbraw/zinc/30/98/71/212309871.db2.gz GLPKGQKXWJPBEU-ZBEGNZNMSA-N 0 0 340.452 3.576 40 30 EHEBRN COc1cccc(-c2c(C#N)c(N)ncc2-c2ccccc2)c1OC ZINC000196744103 241034155 /nfs/dbraw/zinc/03/41/55/241034155.db2.gz LKSGVWYGTQOEPN-UHFFFAOYSA-N 0 0 331.375 3.887 40 30 EHEBRN C#CCOC(=O)c1ccc(OC)c(OCc2ccc(Cl)cc2)c1 ZINC000216804693 241213813 /nfs/dbraw/zinc/21/38/13/241213813.db2.gz XSCJYWIHMVWWRR-UHFFFAOYSA-N 0 0 330.767 3.718 40 30 EHEBRN CCc1ccc([C@@H]2[C@H](C#N)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000218639001 241336805 /nfs/dbraw/zinc/33/68/05/241336805.db2.gz BZWCPGPMNBMHAT-KSZLIROESA-N 0 0 345.851 3.982 40 30 EHEBRN Cc1ccccc1COc1nn(Cc2ccccc2C)c(N)c1C#N ZINC000225844404 242061345 /nfs/dbraw/zinc/06/13/45/242061345.db2.gz MGMGBCAJENAFBZ-UHFFFAOYSA-N 0 0 332.407 3.581 40 30 EHEBRN COc1ccccc1OCCn1c(C#N)cc(N)c1Cc1ccccc1 ZINC000225862688 242066544 /nfs/dbraw/zinc/06/65/44/242066544.db2.gz BKBQDVVGPMQVLB-UHFFFAOYSA-N 0 0 347.418 3.620 40 30 EHEBRN C#CCOC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000226257092 242093095 /nfs/dbraw/zinc/09/30/95/242093095.db2.gz WCBHIYNFTDIUTG-VMPITWQZSA-N 0 0 331.711 3.698 40 30 EHEBRN Cc1nn2c(nc(N)c(C#N)c2-c2ccccc2)c1-c1ccccc1 ZINC000019819313 212071575 /nfs/dbraw/zinc/07/15/75/212071575.db2.gz KXOPCSJXNZGQOF-UHFFFAOYSA-N 0 0 325.375 3.826 40 30 EHEBRN C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)Nc1ccc(Cn3cncn3)cc1)C2 ZINC000019460771 212029338 /nfs/dbraw/zinc/02/93/38/212029338.db2.gz UOOIBHYDIBSZEF-JXFKEZNVSA-N 0 0 336.439 3.647 40 30 EHEBRN CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(-c2cccc(C#N)c2)o1 ZINC000049587315 214021733 /nfs/dbraw/zinc/02/17/33/214021733.db2.gz NJMTTZQFUBZIAR-AWEZNQCLSA-N 0 0 340.383 3.680 40 30 EHEBRN CCCOC1(NC(=O)c2cccc(Cl)c2)C(C)=CC(=O)C=C1C ZINC000016807560 211936327 /nfs/dbraw/zinc/93/63/27/211936327.db2.gz DRCPDFOFOLSQBO-UHFFFAOYSA-N 0 0 333.815 3.668 40 30 EHEBRN COc1cc2c(cc1/C=N/c1ccccc1Br)OCO2 ZINC000409069924 257880894 /nfs/dbraw/zinc/88/08/94/257880894.db2.gz YPIJZTVKCHVHSG-CAOOACKPSA-N 0 0 334.169 3.937 40 30 EHEBRN Oc1ccc(/C=N\c2ccccc2F)cc1I ZINC000408904356 257886510 /nfs/dbraw/zinc/88/65/10/257886510.db2.gz IFQRULWTFQONMQ-PXNMLYILSA-N 0 0 341.123 3.887 40 30 EHEBRN CC/C(=N\NCc1ccccc1OC)c1ccc(OC)cc1OC ZINC000020763629 257855961 /nfs/dbraw/zinc/85/59/61/257855961.db2.gz QCLPKOPIZKDXDX-HEHNFIMWSA-N 0 0 328.412 3.616 40 30 EHEBRN C=C(C)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]21C ZINC000253617445 258073509 /nfs/dbraw/zinc/07/35/09/258073509.db2.gz NJXQZDNABHJQBG-OWLUANBVSA-N 0 0 344.495 3.796 40 30 EHEBRN Cc1nnc(N=NC[C@H]2CC=CCC2)nc1N=NC[C@H]1CC=CCC1 ZINC000027579531 526352586 /nfs/dbraw/zinc/35/25/86/526352586.db2.gz YWKFHLLJPJHINX-VFSKBIJGSA-N 0 0 339.447 3.688 40 30 EHEBRN N#C[C@H](C(=O)CCC(=O)Nc1cccc(Cl)c1)c1ccccc1 ZINC000006575694 526504670 /nfs/dbraw/zinc/50/46/70/526504670.db2.gz WOEBZJIRQNFHLB-INIZCTEOSA-N 0 0 326.783 3.935 40 30 EHEBRN COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OC(C)=O ZINC000000210690 563260839 /nfs/dbraw/zinc/26/08/39/563260839.db2.gz IIXVYRUXGHXHRC-LICLKQGHSA-N 0 0 326.373 3.950 40 30 EHEBRN C=CCc1cccc(C=NN2C(=S)N=NC2c2ccccc2)c1O ZINC000000457378 563324834 /nfs/dbraw/zinc/32/48/34/563324834.db2.gz PEMIHEDWSNAPDD-UNOMPAQXSA-N 0 0 336.420 3.550 40 30 EHEBRN C=CCn1c(CCCC)nnc1SCC(=O)Nc1ccccc1 ZINC000408561075 563477302 /nfs/dbraw/zinc/47/73/02/563477302.db2.gz GHQUSYQSXPAUEH-UHFFFAOYSA-N 0 0 330.457 3.538 40 30 EHEBRN Cc1ccc(S(=O)(=O)N/N=C2/C=C[C@]3(CC=CCC3)CC2)cc1 ZINC000005431076 563532264 /nfs/dbraw/zinc/53/22/64/563532264.db2.gz DCCIVMNOLZRSIS-UGDGIKRESA-N 0 0 330.453 3.706 40 30 EHEBRN CC1(C)CC(=O)C(=Cc2coc3ccc(Cl)cc3c2=O)C(=O)C1 ZINC000005614193 563542889 /nfs/dbraw/zinc/54/28/89/563542889.db2.gz UYEXQQUZYFVPOC-UHFFFAOYSA-N 0 0 330.767 3.788 40 30 EHEBRN Cc1cc(/C=N\O)c(C)n1-c1ccc(I)cc1 ZINC000015768778 563792215 /nfs/dbraw/zinc/79/22/15/563792215.db2.gz YKTLVLOEGQIJAE-NVNXTCNLSA-N 0 0 340.164 3.507 40 30 EHEBRN C/C(=N\NCc1c(Cl)cccc1Cl)c1ccc(O)cc1O ZINC000017877092 563846179 /nfs/dbraw/zinc/84/61/79/563846179.db2.gz PJVICXOGUJVTIH-DJKKODMXSA-N 0 0 325.195 3.918 40 30 EHEBRN COc1ccc(C(=O)C=C(C)Nc2cc(OC)ccc2OC)cc1 ZINC000032100366 563913456 /nfs/dbraw/zinc/91/34/56/563913456.db2.gz YYDUZINQYBAURU-ACCUITESSA-N 0 0 327.380 3.911 40 30 EHEBRN CCOc1ccccc1/C=N\NC(=S)N[C@@H]1CCc2ccccc21 ZINC000034713515 563919562 /nfs/dbraw/zinc/91/95/62/563919562.db2.gz MPAQAUIVFJYIHO-VJOZSWGJSA-N 0 0 339.464 3.571 40 30 EHEBRN CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C#N)c1 ZINC000225793456 563967525 /nfs/dbraw/zinc/96/75/25/563967525.db2.gz DVPLCXCBZWCAJZ-IBGZPJMESA-N 0 0 332.444 3.983 40 30 EHEBRN C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224706675 563994707 /nfs/dbraw/zinc/99/47/07/563994707.db2.gz SZNAOSDOZOJOEO-UHFFFAOYSA-N 0 0 337.828 3.730 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)s1 ZINC000224979588 563995300 /nfs/dbraw/zinc/99/53/00/563995300.db2.gz LIDZRRGGZFCTDG-LBPRGKRZSA-N 0 0 349.481 3.839 40 30 EHEBRN C=CCN(c1ccc(CC)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000225002951 563995440 /nfs/dbraw/zinc/99/54/40/563995440.db2.gz DHJQDKCJQMTBAN-UHFFFAOYSA-N 0 0 346.408 3.539 40 30 EHEBRN CCOc1ccc2nc(SCC(=O)OC(C)C)c(C#N)cc2c1 ZINC000001354899 564003423 /nfs/dbraw/zinc/00/34/23/564003423.db2.gz NKRCTWJFFCIIJR-UHFFFAOYSA-N 0 0 330.409 3.549 40 30 EHEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccncc2)S1 ZINC000408868361 564007743 /nfs/dbraw/zinc/00/77/43/564007743.db2.gz OEMZRMDFOPHTOY-ZSOIEALJSA-N 0 0 345.811 3.635 40 30 EHEBRN C#CCN1C(=O)S/C(=C/c2ccc(OCC)c3ccccc23)C1=O ZINC000409057515 564009263 /nfs/dbraw/zinc/00/92/63/564009263.db2.gz PMBGTKAEYRUPNC-SFQUDFHCSA-N 0 0 337.400 3.908 40 30 EHEBRN Cn1cccc1C=Nn1c(=O)c2ccccc2nc1C1CCCCC1 ZINC000409297146 564011608 /nfs/dbraw/zinc/01/16/08/564011608.db2.gz KEEGOMAQQIKXOX-UHFFFAOYSA-N 0 0 334.423 3.665 40 30 EHEBRN CC=CC(=O)[C@@H](C(=O)OC(C)(C)C)[C@H](c1ccccc1)[C@@H](C)[N+](=O)[O-] ZINC000005223425 564013961 /nfs/dbraw/zinc/01/39/61/564013961.db2.gz HTQLNQIWJBMCJJ-FTVDXLJUSA-N 0 0 347.411 3.539 40 30 EHEBRN COc1ccccc1CN/N=C(\C)c1ccc(Br)cc1 ZINC000020762338 564033418 /nfs/dbraw/zinc/03/34/18/564033418.db2.gz FKZHEWRWJVMIIU-XDHOZWIPSA-N 0 0 333.229 3.972 40 30 EHEBRN C/C(=N\NC(=S)Nc1cccc(C)c1C)c1ccc2c(c1)OCO2 ZINC000007008053 564033928 /nfs/dbraw/zinc/03/39/28/564033928.db2.gz AIVYGEMLOPKVPM-DEDYPNTBSA-N 0 0 341.436 3.743 40 30 EHEBRN CCC(=NOC/C=C/Cl)C1C(=O)CC(C2CCOCC2)CC1=O ZINC000299888413 564060900 /nfs/dbraw/zinc/06/09/00/564060900.db2.gz IOYNQIMAUDJVEI-XOFFUJMMSA-N 0 0 341.835 3.739 40 30 EHEBRN C=C1[C@@H]2CC[C@]3(CC[C@H]4[C@]5(CCC[C@]4(C)CN(C(C)=O)C5)[C@H]3C2)[C@H]1O ZINC000005602140 564070613 /nfs/dbraw/zinc/07/06/13/564070613.db2.gz VSDSULQRAFPUQK-NGEYSQDSSA-N 0 0 343.511 3.769 40 30 EHEBRN C=C[C@@](C)(O)/C=C\C=C(\C)[C@H](C[C@H]1OC1(C)C)OC(=O)/C(C)=C/C ZINC000008648883 564072685 /nfs/dbraw/zinc/07/26/85/564072685.db2.gz VXKDXPKKPDBCSU-HPATVWBBSA-N 0 0 334.456 3.871 40 30 EHEBRN C/C(=N\O)c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000102968677 564084913 /nfs/dbraw/zinc/08/49/13/564084913.db2.gz HKEAFUNACHPLFU-LPYMAVHISA-N 0 0 336.439 3.933 40 30 EHEBRN N#Cc1cc2c(nc1SCc1nc3ccccc3[nH]1)CCCC2=O ZINC000006383115 564085409 /nfs/dbraw/zinc/08/54/09/564085409.db2.gz FJNZFUXSIJSMDP-UHFFFAOYSA-N 0 0 334.404 3.641 40 30 EHEBRN C#CCOc1ccc(Br)cc1C(=S)N1CCCCC1 ZINC000006021219 564125771 /nfs/dbraw/zinc/12/57/71/564125771.db2.gz DDXYKASNPUYJGQ-UHFFFAOYSA-N 0 0 338.270 3.623 40 30 EHEBRN Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1NC(=O)c1ccccc1 ZINC000008334607 564127213 /nfs/dbraw/zinc/12/72/13/564127213.db2.gz YQTSFLBRXAJABT-FYJGNVAPSA-N 0 0 333.391 3.945 40 30 EHEBRN CCOC(=O)c1ncc(N=C(c2ccccc2)c2ccccc2)cn1 ZINC000095725472 564129924 /nfs/dbraw/zinc/12/99/24/564129924.db2.gz PUQRUXYHVPWKHN-UHFFFAOYSA-N 0 0 331.375 3.822 40 30 EHEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O ZINC000409172656 564133708 /nfs/dbraw/zinc/13/37/08/564133708.db2.gz FDVTUUVGHDXZQO-CXUHLZMHSA-N 0 0 338.363 3.934 40 30 EHEBRN CC(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000009140961 564134195 /nfs/dbraw/zinc/13/41/95/564134195.db2.gz YAYUJEASBJXGRL-SNVBAGLBSA-N 0 0 335.498 3.604 40 30 EHEBRN N#C[C@@H]1[C@@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000225668000 564150216 /nfs/dbraw/zinc/15/02/16/564150216.db2.gz RWSGWXTVJVYKEN-BZUAXINKSA-N 0 0 335.787 3.559 40 30 EHEBRN COc1c(O)ccc(/C=C2/Sc3ccccc3C2=O)c1[N+](=O)[O-] ZINC000000793469 209686672 /nfs/dbraw/zinc/68/66/72/209686672.db2.gz FMMDTOYEPSVBLZ-MDWZMJQESA-N 0 0 329.333 3.639 40 30 EHEBRN C=CCn1c(C)c(CN=Nc2ccc([N+](=O)[O-])cn2)c2ccccc21 ZINC000036145024 213073185 /nfs/dbraw/zinc/07/31/85/213073185.db2.gz DBRAIEIUDFHPSC-NDENLUEZSA-N 0 0 335.367 3.885 40 30 EHEBRN N#Cc1ccc(OCc2ccccc2)c(I)c1 ZINC000216812008 241213039 /nfs/dbraw/zinc/21/30/39/241213039.db2.gz XERYRMIZNPOMMA-UHFFFAOYSA-N 0 0 335.144 3.742 40 30 EHEBRN C=CCOC(=O)/C=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000216896374 241221106 /nfs/dbraw/zinc/22/11/06/241221106.db2.gz VOAYFOXGCPFPHC-DHZHZOJOSA-N 0 0 339.347 3.916 40 30 EHEBRN N#Cc1c(N)n(Cc2ccccc2Cl)nc1Cc1cccc(F)c1 ZINC000225839487 242059230 /nfs/dbraw/zinc/05/92/30/242059230.db2.gz LFOQIUKVSNDTNO-UHFFFAOYSA-N 0 0 340.789 3.769 40 30 EHEBRN N#Cc1ccc(CO/N=C/C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000020857584 212176629 /nfs/dbraw/zinc/17/66/29/212176629.db2.gz QOEDNUIAHFFVRB-LSHDLFTRSA-N 0 0 347.296 3.718 40 30 EHEBRN C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)Nc1ccc(Cn3cncn3)cc1)C2 ZINC000019460769 212029971 /nfs/dbraw/zinc/02/99/71/212029971.db2.gz UOOIBHYDIBSZEF-OXQOHEQNSA-N 0 0 336.439 3.647 40 30 EHEBRN C=CCSc1nsc(NC(=O)Nc2cccc(C(C)=O)c2)n1 ZINC000012481795 211392468 /nfs/dbraw/zinc/39/24/68/211392468.db2.gz PSSJOGLFMBGWOB-UHFFFAOYSA-N 0 0 334.426 3.663 40 30 EHEBRN CCOC(=O)C1C(C)=Nc2sc(C#N)c(N)c2[C@@H]1c1cccs1 ZINC000012412682 211371908 /nfs/dbraw/zinc/37/19/08/211371908.db2.gz PFYLCWYWUBRQTL-GFCCVEGCSA-N 0 0 345.449 3.658 40 30 EHEBRN CCOC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1 ZINC000005822605 210543349 /nfs/dbraw/zinc/54/33/49/210543349.db2.gz DAIHLCNRFGTFJP-AWNIVKPZSA-N 0 0 340.375 3.533 40 30 EHEBRN CCCCC(=O)C1=C(SCC)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000005417604 210460352 /nfs/dbraw/zinc/46/03/52/210460352.db2.gz UZAMWZXVECQLBF-CQSZACIVSA-N 0 0 326.458 3.541 40 30 EHEBRN O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(Br)o1 ZINC000005376705 210451684 /nfs/dbraw/zinc/45/16/84/210451684.db2.gz PSSMDQKJEAAMEG-DHZHZOJOSA-N 0 0 349.209 3.934 40 30 EHEBRN CSc1ccc(C)c(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000004990935 210352977 /nfs/dbraw/zinc/35/29/77/210352977.db2.gz ZBOIJBYZLXKMRX-CXUHLZMHSA-N 0 0 346.368 3.979 40 30 EHEBRN Cc1nc2ncnn2c(Nc2ccccc2C#N)c1Cc1ccccc1 ZINC000004897953 210315883 /nfs/dbraw/zinc/31/58/83/210315883.db2.gz MXSBVVIPCPIVPZ-UHFFFAOYSA-N 0 0 340.390 3.639 40 30 EHEBRN C=C1C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O ZINC000118931768 221205509 /nfs/dbraw/zinc/20/55/09/221205509.db2.gz VRABBYPHXSPLAT-YRCTWBNTSA-N 0 0 344.495 3.796 40 30 EHEBRN C/N=C1/S/C(=C\c2cc(C)n(-c3ccccc3C)c2C)C(=O)N1C ZINC000103843419 257868667 /nfs/dbraw/zinc/86/86/67/257868667.db2.gz ZYVGGYFQDKIVFI-GDOHLEIWSA-N 0 0 339.464 3.934 40 30 EHEBRN C=CCN1C(=O)N/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O ZINC000409126787 257877826 /nfs/dbraw/zinc/87/78/26/257877826.db2.gz BNRNQBPSYFHJRW-GXDHUFHOSA-N 0 0 328.755 3.679 40 30 EHEBRN Cn1c2ccccc2[nH]c1=NN=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000408651748 257893570 /nfs/dbraw/zinc/89/35/70/257893570.db2.gz HGGHXZTYFZZHLK-RQZCQDPDSA-N 0 0 329.747 3.581 40 30 EHEBRN COc1ccc(Br)cc1/C=N/NCc1ccccc1OC ZINC000020762807 257855782 /nfs/dbraw/zinc/85/57/82/257855782.db2.gz JDLBBJSMCIJJQH-YBFXNURJSA-N 0 0 349.228 3.590 40 30 EHEBRN CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1 ZINC000009141886 257861984 /nfs/dbraw/zinc/86/19/84/257861984.db2.gz JUTIDYSTUMJEHP-UHFFFAOYSA-N 0 0 325.343 3.544 40 30 EHEBRN Cc1ccc(NC(=S)[C@H](C#N)c2nc(Cc3ccccc3)n[nH]2)cc1 ZINC000005531800 525267504 /nfs/dbraw/zinc/26/75/04/525267504.db2.gz UUIVJYBGDUIGFW-MRXNPFEDSA-N 0 0 347.447 3.751 40 30 EHEBRN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=Cc2ccco2)C1=O ZINC000000309190 563279486 /nfs/dbraw/zinc/27/94/86/563279486.db2.gz DTQGOPBZHWOZAE-GDNBJRDFSA-N 0 0 343.766 3.810 40 30 EHEBRN CC(C)C1=CC(=NS(=O)(=O)c2ccccc2)C=C(C(C)C)C1=O ZINC000003077165 563471294 /nfs/dbraw/zinc/47/12/94/563471294.db2.gz GIXXFVSPJPPNSX-UHFFFAOYSA-N 0 0 331.437 3.564 40 30 EHEBRN COc1ccc(/C=N/OCc2ccccc2C#N)cc1Br ZINC000408587935 563486276 /nfs/dbraw/zinc/48/62/76/563486276.db2.gz APXRKIWZZRRGDG-VXLYETTFSA-N 0 0 345.196 3.880 40 30 EHEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(N3CCCCC3)o2)c1 ZINC000408591758 563491739 /nfs/dbraw/zinc/49/17/39/563491739.db2.gz KGFVJROIAILJIC-LDADJPATSA-N 0 0 329.356 3.729 40 30 EHEBRN C#CCOc1c(Cl)cc(CNc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000408612401 563498007 /nfs/dbraw/zinc/49/80/07/563498007.db2.gz VSDVFRNKEGDQOG-UHFFFAOYSA-N 0 0 346.770 3.881 40 30 EHEBRN O=C1CSC(=S)N1/N=C/c1cccc(Oc2ccccc2)c1 ZINC000005555276 563539649 /nfs/dbraw/zinc/53/96/49/563539649.db2.gz BHLKMDMHVAEKNN-LICLKQGHSA-N 0 0 328.418 3.673 40 30 EHEBRN Clc1ccc(N=NCCc2nnnn2-c2ccccc2)cc1Cl ZINC000005948169 563555471 /nfs/dbraw/zinc/55/54/71/563555471.db2.gz QKBBVEDVJLFTIP-GIJQJNRQSA-N 0 0 347.209 3.610 40 30 EHEBRN CCOc1ccc(C=NNc2nc3ccccc3n2CC)cc1OC ZINC000408692069 563572445 /nfs/dbraw/zinc/57/24/45/563572445.db2.gz CTJVUQYDFJZMRG-DEDYPNTBSA-N 0 0 338.411 3.910 40 30 EHEBRN COC(=O)C1=C(C)N(c2ccccc2)C(=Cc2ccc(C)cc2)C1=O ZINC000408725562 563625485 /nfs/dbraw/zinc/62/54/85/563625485.db2.gz LZALDINJBNPUBL-QGOAFFKASA-N 0 0 333.387 3.872 40 30 EHEBRN CC1(C)[C@H]2C[C@@H]1CCC2=CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000016951618 563826437 /nfs/dbraw/zinc/82/64/37/563826437.db2.gz OPBYQHHZJNCLID-AWDHCAAQSA-N 0 0 330.344 3.893 40 30 EHEBRN COc1cc(Cl)cc(/C=N/c2ccccc2N2CCOCC2)c1O ZINC000032115518 563913522 /nfs/dbraw/zinc/91/35/22/563913522.db2.gz SIZRQVNESYQAIM-UDWIEESQSA-N 0 0 346.814 3.641 40 30 EHEBRN CC(C)(C)c1ccc([C@@H]2c3sc(=O)[nH]c3SC[C@H]2C=O)cc1 ZINC000032594576 563913957 /nfs/dbraw/zinc/91/39/57/563913957.db2.gz QQXZQTGHYXKJOX-YPMHNXCESA-N 0 0 333.478 3.787 40 30 EHEBRN CCCCCCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000100992785 563982894 /nfs/dbraw/zinc/98/28/94/563982894.db2.gz WOTXTXLNFMWUEB-UHFFFAOYSA-N 0 0 330.350 3.731 40 30 EHEBRN C=CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(C)c2C)c1 ZINC000224187225 563993226 /nfs/dbraw/zinc/99/32/26/563993226.db2.gz LZOLJVWFXRRBKL-UHFFFAOYSA-N 0 0 347.436 3.678 40 30 EHEBRN O=C(O/N=C1/C=CC(=O)[C@@H]2[C@H]1[C@H]1C=C[C@@H]2CC1)c1ccc(Cl)cc1 ZINC000136015195 563997537 /nfs/dbraw/zinc/99/75/37/563997537.db2.gz MRJCJDOYRFPFHB-XIIDPOEFSA-N 0 0 341.794 3.820 40 30 EHEBRN C#CC(C)(C)NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000408907518 564007914 /nfs/dbraw/zinc/00/79/14/564007914.db2.gz PXOSSOPJFSOLHM-NBVRZTHBSA-N 0 0 334.375 3.663 40 30 EHEBRN C=CCOc1ccccc1/C=C1/C(=O)N(C(=O)c2ccccc2)N=C1C ZINC000408943417 564008201 /nfs/dbraw/zinc/00/82/01/564008201.db2.gz SEFUUVQZKLRVCT-NBVRZTHBSA-N 0 0 346.386 3.693 40 30 EHEBRN O=[N+]([O-])c1ccc(Oc2ccc(/C=N/O)cc2Cl)c([N+](=O)[O-])c1 ZINC000409076458 564009437 /nfs/dbraw/zinc/00/94/37/564009437.db2.gz BFIMDYLYTWUBRG-VIZOYTHASA-N 0 0 337.675 3.757 40 30 EHEBRN FC(F)(F)c1ccc(NN=Cc2cc3c(cc2Cl)OCO3)nc1 ZINC000409072278 564009503 /nfs/dbraw/zinc/00/95/03/564009503.db2.gz JNLPDORHUXZVNT-DENHBWNVSA-N 0 0 343.692 3.929 40 30 EHEBRN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1O ZINC000007155126 564015372 /nfs/dbraw/zinc/01/53/72/564015372.db2.gz PGVRGRMQHLEPJQ-UHFFFAOYSA-N 0 0 328.751 3.907 40 30 EHEBRN CCOc1ccc(/C(C)=N/NCc2ccccc2OC)cc1[N+](=O)[O-] ZINC000020762378 564033430 /nfs/dbraw/zinc/03/34/30/564033430.db2.gz DGZHARCNVKRCDC-DEDYPNTBSA-N 0 0 343.383 3.516 40 30 EHEBRN CC1CCN(c2c(N)cc(C#N)n2Cc2ccc(Cl)cc2)CC1 ZINC000225866781 564049879 /nfs/dbraw/zinc/04/98/79/564049879.db2.gz DMOIVDCIZSZGMP-UHFFFAOYSA-N 0 0 328.847 3.880 40 30 EHEBRN CCOc1ccc(C(=O)/C=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1 ZINC000059444496 564050605 /nfs/dbraw/zinc/05/06/05/564050605.db2.gz RHWXYNYKLWULPG-ONNFQVAWSA-N 0 0 327.336 3.898 40 30 EHEBRN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000253537523 564053659 /nfs/dbraw/zinc/05/36/59/564053659.db2.gz LASCNIPXMJNRGS-OWVDYMSYSA-N 0 0 328.452 3.903 40 30 EHEBRN C=CCOc1ccc(C(=O)NCCOc2cc(C)cc(C)c2)cc1 ZINC000065700512 564066919 /nfs/dbraw/zinc/06/69/19/564066919.db2.gz TVGPIOPQRSRMGC-UHFFFAOYSA-N 0 0 325.408 3.677 40 30 EHEBRN C=CCc1cc(C(=O)Nc2cccc(C(=O)OCC)c2)ccc1OC ZINC000013669591 564073934 /nfs/dbraw/zinc/07/39/34/564073934.db2.gz OJSSSUNSFZLCOY-UHFFFAOYSA-N 0 0 339.391 3.853 40 30 EHEBRN C=C(c1ccccc1)[C@H]1ON(C)CCc2cc(OC)c(OC)cc21 ZINC000001856544 564074759 /nfs/dbraw/zinc/07/47/59/564074759.db2.gz XIPDQXDTQNIVFS-HXUWFJFHSA-N 0 0 325.408 3.878 40 30 EHEBRN O=C(/C=C1/C(=O)Nc2ccc(Br)cc21)c1ccccc1 ZINC000003188437 564108051 /nfs/dbraw/zinc/10/80/51/564108051.db2.gz AZHMGLXVLSUTGY-UKTHLTGXSA-N 0 0 328.165 3.668 40 30 EHEBRN Cc1n[nH]c(=S)n1N=Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000017649482 564127966 /nfs/dbraw/zinc/12/79/66/564127966.db2.gz VIUAHIXUGRFJFQ-VXLYETTFSA-N 0 0 342.399 3.849 40 30 EHEBRN Cn1c2ccccc2nc1NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000052412182 564128580 /nfs/dbraw/zinc/12/85/80/564128580.db2.gz AXPVQAHWTUVEGZ-RQZCQDPDSA-N 0 0 329.747 3.581 40 30 EHEBRN COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1ccccc1F ZINC000005573428 564129755 /nfs/dbraw/zinc/12/97/55/564129755.db2.gz ZRRBKNSVLQUXSR-PORMKJMCSA-N 0 0 329.327 3.566 40 30 EHEBRN O=C(C=CNc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000033663460 564129894 /nfs/dbraw/zinc/12/98/94/564129894.db2.gz FZJURGZMQJOPBI-MDZDMXLPSA-N 0 0 342.826 3.985 40 30 EHEBRN CC[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CCC(=O)[C@@]3(C)C[C@@H](O)[C@@H]12 ZINC000685935999 564133285 /nfs/dbraw/zinc/13/32/85/564133285.db2.gz GRHUCDQBANHQDQ-GSELGAFVSA-N 0 0 330.468 3.694 40 30 EHEBRN CCN(Cc1ccccc1)c1nn(-c2ccc(C)c(C)c2)nc1C#N ZINC000256047618 564134714 /nfs/dbraw/zinc/13/47/14/564134714.db2.gz NLQSRGKYVBJATK-UHFFFAOYSA-N 0 0 331.423 3.782 40 30 EHEBRN C[C@@H]1CCCN(c2c(N)cc(C#N)n2Cc2ccc(Cl)cc2)C1 ZINC000225866126 564150835 /nfs/dbraw/zinc/15/08/35/564150835.db2.gz OGDAZCZNMKXMQA-CYBMUJFWSA-N 0 0 328.847 3.880 40 30 EHEBRN N#Cc1c(N)n(CCCc2ccccc2)c2nc3ccccc3nc12 ZINC000002646212 564151702 /nfs/dbraw/zinc/15/17/02/564151702.db2.gz OFJZKRSDZBHDCK-UHFFFAOYSA-N 0 0 327.391 3.671 40 30 EHEBRN C=CCN1C(=O)/C(=C\c2c(O)ccc3ccccc32)SC1=S ZINC000016138325 1025533181 /nfs/dbraw/zinc/53/31/81/1025533181.db2.gz OFXWZTQOPHLTRM-XNTDXEJSSA-N 0 0 327.430 3.933 40 30 EHEBRN Cc1ccccc1NN=Cc1ccc(-c2ccc3c(c2)C(=O)NC3=O)o1 ZINC000254512143 1125297873 /nfs/dbraw/zinc/29/78/73/1125297873.db2.gz HOJIAMARGVIRPO-UHFFFAOYSA-N 0 0 345.358 3.585 40 30 EHEBRN CNC1=C(Sc2ccc(Cl)cc2)C(=O)c2ccccc2C1=O ZINC000004633068 210235652 /nfs/dbraw/zinc/23/56/52/210235652.db2.gz VPFIBVGBZCMZBU-UHFFFAOYSA-N 0 0 329.808 3.942 40 30 EHEBRN CCOc1ccc(/N=C\c2cc(OC)c(OC)c(OC)c2)c(O)c1 ZINC000100344901 219097074 /nfs/dbraw/zinc/09/70/74/219097074.db2.gz KOKYHYXMDPZYSW-ODLFYWEKSA-N 0 0 331.368 3.567 40 30 EHEBRN NC(=O)COc1ccc(/C=N/c2ccc3c4c(cccc42)CC3)cc1 ZINC000100422163 219099387 /nfs/dbraw/zinc/09/93/87/219099387.db2.gz MYRBSIQTGKRLJF-FSJBWODESA-N 0 0 330.387 3.553 40 30 EHEBRN CCOC(=O)[C@@H](C#N)[C@@H](c1ccc(OC)cc1)[C@H]1CCOC(C)(C)C1 ZINC000100698718 219103996 /nfs/dbraw/zinc/10/39/96/219103996.db2.gz ZKJYSYRVQLSDGW-SZMVWBNQSA-N 0 0 345.439 3.687 40 30 EHEBRN CC(=O)[C@H]1[C@@H](c2ccsc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N21 ZINC000004451077 210193251 /nfs/dbraw/zinc/19/32/51/210193251.db2.gz NHRZDEAKMKXVGO-QRVBRYPASA-N 0 0 345.427 3.738 40 30 EHEBRN C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C ZINC000004428389 210191660 /nfs/dbraw/zinc/19/16/60/210191660.db2.gz YUMWOIMGKYOLOA-MWTXUKJESA-N 0 0 334.431 3.540 40 30 in-vitro EHEBRN COc1cc(/C=N/O)cc(Br)c1OCc1ccccc1 ZINC000100964956 219113111 /nfs/dbraw/zinc/11/31/11/219113111.db2.gz OAFDRCHPOMWUHP-RQZCQDPDSA-N 0 0 336.185 3.845 40 30 EHEBRN N#Cc1c(N)n(-c2ccccc2Cl)nc1-c1ccc(F)cc1F ZINC000039955374 213246240 /nfs/dbraw/zinc/24/62/40/213246240.db2.gz CGYKPDZMIKMHMB-UHFFFAOYSA-N 0 0 330.725 3.925 40 30 EHEBRN C#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@]4(Cl)CC(=O)CC[C@@H]4[C@@H]3CC[C@]21C ZINC000256073501 244066202 /nfs/dbraw/zinc/06/62/02/244066202.db2.gz LUASCMMEHVJZGP-ZSXPZZPQSA-N 0 0 334.887 3.934 40 30 EHEBRN O=[N+]([O-])c1ccc(NN=Cc2ccc(Br)s2)cc1 ZINC000012374504 211358132 /nfs/dbraw/zinc/35/81/32/211358132.db2.gz IEZXNLYTSXBLGJ-QPEQYQDCSA-N 0 0 326.175 3.865 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000118934427 221205558 /nfs/dbraw/zinc/20/55/58/221205558.db2.gz GBYPMNXBNFQGAV-ATWVFEABSA-N 0 0 330.468 3.694 40 30 EHEBRN CCOc1cc2c(cc1/C=N\c1cc(C(=O)OC)ccc1C)OCO2 ZINC000409103003 257879752 /nfs/dbraw/zinc/87/97/52/257879752.db2.gz CHQWZHDIXHFLHW-JMIUGGIZSA-N 0 0 341.363 3.660 40 30 EHEBRN Cc1cc(/C=N/NC(N)=S)cc(C)c1OCc1ccc(Cl)cc1 ZINC000408849969 257887613 /nfs/dbraw/zinc/88/76/13/257887613.db2.gz BWRCLSAQENULNZ-AWQFTUOYSA-N 0 0 347.871 3.703 40 30 EHEBRN C#CCn1c(C)c(/C=N/NCc2ccccc2OC)c2ccccc21 ZINC000020762116 257855779 /nfs/dbraw/zinc/85/57/79/257855779.db2.gz VTPBILDJRXXGIT-HZHRSRAPSA-N 0 0 331.419 3.715 40 30 EHEBRN CCc1ccc(C(=O)Nc2sc(C(=O)OC)c(C)c2C#N)cc1 ZINC000009142084 257861263 /nfs/dbraw/zinc/86/12/63/257861263.db2.gz RUXGUNFACQZLNK-UHFFFAOYSA-N 0 0 328.393 3.530 40 30 EHEBRN FC(F)(F)C(F)(F)C(F)(F)O[C@](F)(C[C@@H]1CO1)C(F)(F)F ZINC000095677003 258067308 /nfs/dbraw/zinc/06/73/08/258067308.db2.gz CSMFZPWRCMEYPI-QWWZWVQMSA-N 0 0 342.104 3.810 40 30 EHEBRN CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1Cl ZINC000003267608 520090525 /nfs/dbraw/zinc/09/05/25/520090525.db2.gz SNRMVAUOGPNQQK-LBPRGKRZSA-N 0 0 330.819 3.587 40 30 EHEBRN CCn1cc(/C=N/NCc2ccc(OC)c(OC)c2)c2ccccc21 ZINC000020196016 523309256 /nfs/dbraw/zinc/30/92/56/523309256.db2.gz FUFOGZJYAWPJIS-LPYMAVHISA-N 0 0 337.423 3.802 40 30 EHEBRN FC(F)(F)C(F)(F)C1(Cl)O[C@](F)(Cl)[C@@](F)(Cl)O1 ZINC000095917676 563977730 /nfs/dbraw/zinc/97/77/30/563977730.db2.gz BWYRANFJTUHOHT-HRFVKAFMSA-N 0 0 331.398 3.848 40 30 EHEBRN Cc1nn2c(nnc(C(=O)/C=C/c3ccco3)c2C)c1-c1ccccc1 ZINC000005678009 563545116 /nfs/dbraw/zinc/54/51/16/563545116.db2.gz DIARSWBWXLXIKE-ZHACJKMWSA-N 0 0 344.374 3.897 40 30 EHEBRN C/C(=N/NC(=S)N1CCC(C)CC1)c1cccc2cccnc21 ZINC000005757870 563549455 /nfs/dbraw/zinc/54/94/55/563549455.db2.gz VHONWPZYPJLBRM-ZHZULCJRSA-N 0 0 326.469 3.565 40 30 EHEBRN C=CC[C@]1([C@H](C)Cc2ccc(OC)c(OC)c2)C[C@H](OC)C=CC1=O ZINC000006443124 563568434 /nfs/dbraw/zinc/56/84/34/563568434.db2.gz SXYIUOZJZREGSK-QLVMHMETSA-N 0 0 344.451 3.989 40 30 EHEBRN CC(=CC(=NNc1nc(C)cc(=O)[nH]1)c1ccccc1)c1ccccc1 ZINC000008649209 563634226 /nfs/dbraw/zinc/63/42/26/563634226.db2.gz QHGXJCQYAFKFJZ-KHELSUBGSA-N 0 0 344.418 3.998 40 30 EHEBRN CCc1ccc2c(c1)C(=NNc1ccc(Br)cc1)C(=O)N2 ZINC000059167076 563947740 /nfs/dbraw/zinc/94/77/40/563947740.db2.gz RQMBCXNUTVREKJ-UHFFFAOYSA-N 0 0 344.212 3.780 40 30 EHEBRN C=CCSc1nnc(NC(=O)c2ccc(OCC)c(C)c2)s1 ZINC000222979526 563976076 /nfs/dbraw/zinc/97/60/76/563976076.db2.gz YGUXAJCWJYTFQK-UHFFFAOYSA-N 0 0 335.454 3.776 40 30 EHEBRN FC(F)(F)C(I)(C(F)(F)F)C(F)(F)F ZINC000095730925 563977645 /nfs/dbraw/zinc/97/76/45/563977645.db2.gz WIKBZUXHNPONPP-UHFFFAOYSA-N 0 0 345.930 3.847 40 30 EHEBRN C=CCOc1ccc(C(=O)NCCOc2ccc(C)c(C)c2)cc1 ZINC000224638921 563994472 /nfs/dbraw/zinc/99/44/72/563994472.db2.gz UAIREXANDGWGJX-UHFFFAOYSA-N 0 0 325.408 3.677 40 30 EHEBRN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000224850624 563995043 /nfs/dbraw/zinc/99/50/43/563995043.db2.gz GYVKVPKTKAQMPU-UHFFFAOYSA-N 0 0 337.828 3.730 40 30 EHEBRN C=CCSc1nnc(NC(=O)Cc2ccc(Cl)cc2F)s1 ZINC000225110525 563995654 /nfs/dbraw/zinc/99/56/54/563995654.db2.gz WLVOPJMKUNBSEF-UHFFFAOYSA-N 0 0 343.836 3.790 40 30 EHEBRN C=CCNC(=O)c1ccccc1NC(=O)CSc1ccc(C)cc1 ZINC000248043084 563996416 /nfs/dbraw/zinc/99/64/16/563996416.db2.gz VSPANIXLAUGECG-UHFFFAOYSA-N 0 0 340.448 3.642 40 30 EHEBRN COCCN1C(=O)/C(=C\c2cccs2)S/C1=N\c1ccccc1 ZINC000005660840 564006100 /nfs/dbraw/zinc/00/61/00/564006100.db2.gz IXGZAZDWTARKPB-WBZXNMJOSA-N 0 0 344.461 3.999 40 30 EHEBRN COc1ccc(C(=O)C=CNc2cccc([C@@H](C)O)c2)cc1OC ZINC000409057385 564009251 /nfs/dbraw/zinc/00/92/51/564009251.db2.gz PBQSIBOMGKTNFC-WTNCMQEWSA-N 0 0 327.380 3.566 40 30 EHEBRN C#CCOc1ccc(/C=C2\SC(=O)N(CCCC)C2=O)cc1OC ZINC000409056789 564009265 /nfs/dbraw/zinc/00/92/65/564009265.db2.gz NVIDGWZQMBYNFT-VBKFSLOCSA-N 0 0 345.420 3.544 40 30 EHEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(O)cc1 ZINC000409111910 564010050 /nfs/dbraw/zinc/01/00/50/564010050.db2.gz DDFBKTDZPWAFLP-DEDYPNTBSA-N 0 0 326.396 3.760 40 30 EHEBRN COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(F)cc1F ZINC000409240613 564011228 /nfs/dbraw/zinc/01/12/28/564011228.db2.gz LMGQCQGVPIKVKX-CIAFOILYSA-N 0 0 332.350 3.561 40 30 EHEBRN CCOc1ccc(/C=N/NCc2ccccc2OC)cc1OCC ZINC000020761584 564033429 /nfs/dbraw/zinc/03/34/29/564033429.db2.gz UMCYFDDJUMBSSI-DEDYPNTBSA-N 0 0 328.412 3.616 40 30 EHEBRN Cc1ccc(C2N=NC(=S)N2N=Cc2c[nH]c3ccccc23)cc1 ZINC000245242109 564052391 /nfs/dbraw/zinc/05/23/91/564052391.db2.gz ZKTIUCLAQMGPJT-UHFFFAOYSA-N 0 0 333.420 3.906 40 30 EHEBRN C=C(C)COc1cccc(C(=O)Nc2ccc(OC)c(OC)c2)c1 ZINC000008570650 564072551 /nfs/dbraw/zinc/07/25/51/564072551.db2.gz GNOBHGWARBADMI-UHFFFAOYSA-N 0 0 327.380 3.911 40 30 EHEBRN Cc1ccc(OCc2nc(SC3CCCC3)nc(N)c2C#N)cc1 ZINC000223686760 564081802 /nfs/dbraw/zinc/08/18/02/564081802.db2.gz CJJDMXWCVUSPJZ-UHFFFAOYSA-N 0 0 340.452 3.853 40 30 EHEBRN Cc1ccc(S(=O)(=O)N2CC[C@H](C#N)CCc3ccccc32)cc1 ZINC000521824659 564118036 /nfs/dbraw/zinc/11/80/36/564118036.db2.gz SPQVJSGVVHTXTQ-MRXNPFEDSA-N 0 0 340.448 3.666 40 30 EHEBRN CO/N=C(\C(=O)OC)c1ccccc1COc1cccc(Cl)c1C ZINC000521824907 564118041 /nfs/dbraw/zinc/11/80/41/564118041.db2.gz CVXDWAMLNMDRJY-JZJYNLBNSA-N 0 0 347.798 3.751 40 30 EHEBRN O=C(OCc1ccccc1)N1C=CC(=O)C[C@@H]1c1ccc(F)cc1 ZINC000141092490 564118097 /nfs/dbraw/zinc/11/80/97/564118097.db2.gz PURXEFOXSLWNAW-GOSISDBHSA-N 0 0 325.339 3.992 40 30 EHEBRN CCN(CC)c1ccc(C2=C(Cl)C(=O)c3ncccc3C2=O)cc1 ZINC000027638719 564133599 /nfs/dbraw/zinc/13/35/99/564133599.db2.gz XAZVKSMDPVMMPP-UHFFFAOYSA-N 0 0 340.810 3.957 40 30 in-vitro EHEBRN N#C[C@@H]1[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000225668056 564150203 /nfs/dbraw/zinc/15/02/03/564150203.db2.gz RWSGWXTVJVYKEN-OWCLPIDISA-N 0 0 335.787 3.559 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000004744087 210267769 /nfs/dbraw/zinc/26/77/69/210267769.db2.gz YZZVVLUNOZJXCM-DADBAOPHSA-N 0 0 326.436 3.679 40 30 EHEBRN COC(=O)[C@H](C)O/N=C1/C=C[C@@](C)(C(Cl)(Cl)Cl)C=C1C ZINC000001722258 209787262 /nfs/dbraw/zinc/78/72/62/209787262.db2.gz WXOZSZPEXKXRJM-NMJPTJGHSA-N 0 0 340.634 3.813 40 30 EHEBRN Cc1nc2scc(-c3ccccc3)c2c(=O)n1/N=C/c1cccnc1 ZINC000001466044 209753578 /nfs/dbraw/zinc/75/35/78/209753578.db2.gz CHDDWUJRCAKXQZ-SRZZPIQSSA-N 0 0 346.415 3.711 40 30 EHEBRN O=C(C1=C(O)C(=O)O[C@H]1c1ccccc1F)c1ccc(Cl)cc1 ZINC000036619633 213104003 /nfs/dbraw/zinc/10/40/03/213104003.db2.gz KHHXMYUCGYRJHY-INIZCTEOSA-N 0 0 332.714 3.772 40 30 EHEBRN CSc1nc2n(n1)[C@H](c1ccc(C)cc1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000022608277 212310265 /nfs/dbraw/zinc/31/02/65/212310265.db2.gz GLPKGQKXWJPBEU-MEDUHNTESA-N 0 0 340.452 3.576 40 30 EHEBRN C#CCOC(=O)c1ccc(OC)c(OCc2ccc(F)cc2Cl)c1 ZINC000216804355 241212937 /nfs/dbraw/zinc/21/29/37/241212937.db2.gz VTKMCQFQBOABQO-UHFFFAOYSA-N 0 0 348.757 3.857 40 30 EHEBRN C=CCOC(=O)c1ccc(OCc2cccnc2)c(Br)c1 ZINC000216844772 241214487 /nfs/dbraw/zinc/21/44/87/241214487.db2.gz ULSLHQCQKCOEDO-UHFFFAOYSA-N 0 0 348.196 3.766 40 30 EHEBRN C=CCN(c1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224707655 241776055 /nfs/dbraw/zinc/77/60/55/241776055.db2.gz PSWHXRRDHXMOQC-UHFFFAOYSA-N 0 0 325.792 3.860 40 30 EHEBRN CO[C@@]1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCC[C@@H](C)C1 ZINC000225808711 242046773 /nfs/dbraw/zinc/04/67/73/242046773.db2.gz CBWHVLZLNIJAEC-KUHUBIRLSA-N 0 0 330.428 3.879 40 30 EHEBRN CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)c(C#N)c1 ZINC000225832834 242055155 /nfs/dbraw/zinc/05/51/55/242055155.db2.gz KOSUKEBPMKQMNT-IFXJQAMLSA-N 0 0 330.428 3.881 40 30 EHEBRN CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC(C)=O)cc1C#N ZINC000225846941 242061355 /nfs/dbraw/zinc/06/13/55/242061355.db2.gz AAXDNAMBVPIEGJ-IBGZPJMESA-N 0 0 346.427 3.798 40 30 EHEBRN CCCO[C@@](C)(C(=O)Nc1ccc(OC(C)C)c(C#N)c1)C1CC1 ZINC000225858283 242065303 /nfs/dbraw/zinc/06/53/03/242065303.db2.gz QXCMXODJCVPXJQ-LJQANCHMSA-N 0 0 330.428 3.879 40 30 EHEBRN N#Cc1cc(N)c(Cc2ccccc2)n1CCOc1ccc(F)cc1 ZINC000225863159 242066426 /nfs/dbraw/zinc/06/64/26/242066426.db2.gz ZVHAIWSARPNYOB-UHFFFAOYSA-N 0 0 335.382 3.751 40 30 EHEBRN CC(C)COc1ccc(NC(=O)C(C)(C)Br)cc1C#N ZINC000225786761 242033722 /nfs/dbraw/zinc/03/37/22/242033722.db2.gz HLAAPTDQODMRAQ-UHFFFAOYSA-N 0 0 339.233 3.705 40 30 EHEBRN C(=[NH+][N-]c1ccc2ccccc2n1)c1ccc(N2CCOCC2)cc1 ZINC000020985969 212195135 /nfs/dbraw/zinc/19/51/35/212195135.db2.gz INLAJRZOFCYWSX-RCCKNPSSSA-N 0 0 332.407 3.517 40 30 EHEBRN N#C[C@H]1C(=O)Nc2nc3ccccc3n2[C@H]1c1cccc2ccccc21 ZINC000020638023 212159015 /nfs/dbraw/zinc/15/90/15/212159015.db2.gz DAXIGOQJDYOASA-APWZRJJASA-N 0 0 338.370 3.871 40 30 EHEBRN COc1ccccc1-c1nc2c3ccccc3nc(SCC#N)n2n1 ZINC000010157699 211150981 /nfs/dbraw/zinc/15/09/81/211150981.db2.gz BMSOODSDLXTBNL-UHFFFAOYSA-N 0 0 347.403 3.569 40 30 EHEBRN Cc1nc(C(C#N)(C#N)Cc2ccccc2)c(C#N)c2c1CCCC2 ZINC000095117557 218281933 /nfs/dbraw/zinc/28/19/33/218281933.db2.gz OSRKHKRVKAQZDY-UHFFFAOYSA-N 0 0 326.403 3.668 40 30 EHEBRN O=C(/C=C/c1ccc(OCCO)cc1)c1ccc(Br)cc1 ZINC000008215017 210914195 /nfs/dbraw/zinc/91/41/95/210914195.db2.gz KGAMTEKWVKYAHE-XCVCLJGOSA-N 0 0 347.208 3.716 40 30 EHEBRN C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCN(c3ccccc3F)CC1)C2 ZINC000004758060 210271643 /nfs/dbraw/zinc/27/16/43/210271643.db2.gz YRJWXTZABCETEJ-KKSFZXQISA-N 0 0 342.458 3.857 40 30 EHEBRN COc1ccc(CNC=CC(=O)c2cccc(Br)c2)cc1 ZINC000409057924 257881463 /nfs/dbraw/zinc/88/14/63/257881463.db2.gz LXWAYQXNFYEYFI-MDZDMXLPSA-N 0 0 346.224 3.944 40 30 EHEBRN C=CCN1C(=O)S/C(=C\c2cccc(OC)c2OC(C)C)C1=O ZINC000409021143 257882582 /nfs/dbraw/zinc/88/25/82/257882582.db2.gz YHGHYVTYQINXAJ-UVTDQMKNSA-N 0 0 333.409 3.705 40 30 EHEBRN C=CCOc1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000224994878 257899715 /nfs/dbraw/zinc/89/97/15/257899715.db2.gz XFSPMAYFLINIDE-UHFFFAOYSA-N 0 0 349.477 3.798 40 30 EHEBRN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC(=O)[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000253617207 258073377 /nfs/dbraw/zinc/07/33/77/258073377.db2.gz BLCAJJQPGLGJDA-OXMKXFLHSA-N 0 0 328.452 3.903 40 30 EHEBRN COc1ccc(C(=O)O/N=C(\c2ccccc2)c2ccncc2)cc1 ZINC000000216720 523771168 /nfs/dbraw/zinc/77/11/68/523771168.db2.gz TWZZGFWXLCVVQI-ZBJSNUHESA-N 0 0 332.359 3.700 40 30 EHEBRN CCO[C@@](C)(C(=O)Nc1ccc(O[C@@H](C)CC)cc1C#N)C1CC1 ZINC000225836711 535544133 /nfs/dbraw/zinc/54/41/33/535544133.db2.gz RMJZMPRRFTZANJ-ORAYPTAESA-N 0 0 330.428 3.879 40 30 EHEBRN COc1cccc(/C(C)=N\N2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000000472847 563332491 /nfs/dbraw/zinc/33/24/91/563332491.db2.gz ATDIVFCTYGWREE-QNGOZBTKSA-N 0 0 343.858 3.895 40 30 EHEBRN CCOC(=O)c1cccc(/N=C\c2cc(OC)c(OC)cc2C)c1 ZINC000408548038 563446897 /nfs/dbraw/zinc/44/68/97/563446897.db2.gz CFEIRRRBDBNZEG-NDENLUEZSA-N 0 0 327.380 3.940 40 30 EHEBRN C/C(=N/NC(=S)Nc1cccc(C)c1C)c1ccc2c(c1)OCO2 ZINC000034876899 563482799 /nfs/dbraw/zinc/48/27/99/563482799.db2.gz AIVYGEMLOPKVPM-MOSHPQCFSA-N 0 0 341.436 3.743 40 30 EHEBRN CC[C@H](C)Oc1ccccc1/C=N\n1c(C)nc2ccccc2c1=O ZINC000408603451 563496845 /nfs/dbraw/zinc/49/68/45/563496845.db2.gz QWSWYSFZBJNFJA-DTHVTWRFSA-N 0 0 335.407 3.764 40 30 EHEBRN CC(=O)N1CCC(=NOC(=O)c2ccccc2-c2ccccc2)CC1 ZINC000408610712 563498726 /nfs/dbraw/zinc/49/87/26/563498726.db2.gz RQSYQVNVEYXECA-UHFFFAOYSA-N 0 0 336.391 3.509 40 30 EHEBRN CCCCC(=O)C1=C(SCC)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000005417602 563531946 /nfs/dbraw/zinc/53/19/46/563531946.db2.gz UZAMWZXVECQLBF-AWEZNQCLSA-N 0 0 326.458 3.541 40 30 EHEBRN C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1SCC ZINC000408678165 563557468 /nfs/dbraw/zinc/55/74/68/563557468.db2.gz GPEHOJNZXCUNNX-UHFFFAOYSA-N 0 0 340.448 3.967 40 30 EHEBRN Cc1cc(Br)cc(/C=N/c2ccc3c(c2)OCCO3)c1O ZINC000006188932 563560556 /nfs/dbraw/zinc/56/05/56/563560556.db2.gz QVYVYZSZAAUXGO-GIJQJNRQSA-N 0 0 348.196 3.985 40 30 EHEBRN N#Cc1c2cc(-c3ccncc3)ccn2c2c1C(=O)c1ccccc1C2=O ZINC000000575969 563845012 /nfs/dbraw/zinc/84/50/12/563845012.db2.gz OWYJYCIJNQTPSV-UHFFFAOYSA-N 0 0 349.349 3.648 40 30 EHEBRN C(=N/n1cnnc1)\c1ccc(Sc2nc3ccccc3s2)o1 ZINC000000033258 563964189 /nfs/dbraw/zinc/96/41/89/563964189.db2.gz BDEBHVMEUOILNX-REZTVBANSA-N 0 0 327.394 3.514 40 30 EHEBRN Cc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 ZINC000100253616 563982458 /nfs/dbraw/zinc/98/24/58/563982458.db2.gz ZFOMIIVYPDAABO-UHFFFAOYSA-N 0 0 342.738 3.845 40 30 EHEBRN C=CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000224849047 563995040 /nfs/dbraw/zinc/99/50/40/563995040.db2.gz RWPCUJIFHOIHAM-UHFFFAOYSA-N 0 0 331.437 3.693 40 30 EHEBRN C=CCOc1ccc(N(CC)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000224925133 563995218 /nfs/dbraw/zinc/99/52/18/563995218.db2.gz CPDZXCWOKMXWMX-UHFFFAOYSA-N 0 0 335.400 3.606 40 30 EHEBRN O=S(=O)(c1ccc(Cl)cc1)C(F)(F)C(F)(F)C(F)(F)F ZINC000002566562 564001863 /nfs/dbraw/zinc/00/18/63/564001863.db2.gz ROBJMAPJQZNKML-UHFFFAOYSA-N 0 0 344.635 3.904 40 30 EHEBRN Cc1nc(N)c(C#N)c(-c2ccccc2OCC#N)c1-c1ccccc1 ZINC000408809615 564007335 /nfs/dbraw/zinc/00/73/35/564007335.db2.gz HZKQSRDBUFUJJC-UHFFFAOYSA-N 0 0 340.386 3.911 40 30 EHEBRN S=C(N/N=C/c1ccc(N2CCCCC2)cc1)Nc1ccccc1 ZINC000408858977 564007755 /nfs/dbraw/zinc/00/77/55/564007755.db2.gz RVLDPGKREXPACQ-HMMYKYKNSA-N 0 0 338.480 3.997 40 30 EHEBRN CC/N=C1\S/C(=C\c2ccc(N3CCCC3)cc2C)C(=O)N1CC ZINC000408960655 564008280 /nfs/dbraw/zinc/00/82/80/564008280.db2.gz NMDIQBRMFTVICA-CJGMICOPSA-N 0 0 343.496 3.907 40 30 EHEBRN C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OCC)c1OCCC ZINC000409081103 564009523 /nfs/dbraw/zinc/00/95/23/564009523.db2.gz OPMYHIZQRIDRIY-WJDWOHSUSA-N 0 0 329.396 3.919 40 30 EHEBRN C=CCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1OCC ZINC000409085612 564009546 /nfs/dbraw/zinc/00/95/46/564009546.db2.gz CCIKRUHCCFCJNH-LGMDPLHJSA-N 0 0 349.386 3.995 40 30 EHEBRN Cc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)o1 ZINC000409404728 564012057 /nfs/dbraw/zinc/01/20/57/564012057.db2.gz LVTOQHPQBUKTRV-UHFFFAOYSA-N 0 0 329.359 3.847 40 30 EHEBRN Cc1cc2c(cc1/C=N/n1cnnc1)[C@H](C)CC(C)(C)N2C(C)C ZINC000223593798 564040425 /nfs/dbraw/zinc/04/04/25/564040425.db2.gz STXJOUUYSVLRHQ-WPZNHYQYSA-N 0 0 325.460 3.969 40 30 EHEBRN CCOc1ccccc1CNC(=S)Nc1ccc(CC#N)cc1 ZINC000225441921 564046776 /nfs/dbraw/zinc/04/67/76/564046776.db2.gz JBUQNRJYQZPFCO-UHFFFAOYSA-N 0 0 325.437 3.638 40 30 EHEBRN C=C(C)COc1cccc(C(=O)N(C)Cc2ccc(OC)cc2)c1 ZINC000219776323 564084153 /nfs/dbraw/zinc/08/41/53/564084153.db2.gz IRYPKTZBIHMZKL-UHFFFAOYSA-N 0 0 325.408 3.922 40 30 EHEBRN Cc1nc(N)c(C#N)c(-c2ccc3c(c2)OCO3)c1-c1ccccc1 ZINC000034953997 564128483 /nfs/dbraw/zinc/12/84/83/564128483.db2.gz FHXCTBHYCJVGFZ-UHFFFAOYSA-N 0 0 329.359 3.907 40 30 EHEBRN CCOc1cc(/C=N/O)cc(Cl)c1OCc1ccccc1C#N ZINC000006844744 564129803 /nfs/dbraw/zinc/12/98/03/564129803.db2.gz MSNOBQJLWHOUML-KEBDBYFISA-N 0 0 330.771 3.997 40 30 EHEBRN C=CCOc1ccccc1CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000038366464 564129929 /nfs/dbraw/zinc/12/99/29/564129929.db2.gz FNBIYLYBQZCALF-BOPFTXTBSA-N 0 0 342.311 3.514 40 30 EHEBRN CCN(CC)C(=O)CSc1nc2c(C)c(C)ccc2cc1C#N ZINC000000413493 564133192 /nfs/dbraw/zinc/13/31/92/564133192.db2.gz AGEUYQFXIWHMMF-UHFFFAOYSA-N 0 0 327.453 3.684 40 30 EHEBRN Cc1ccc2cc(C#N)c(SCC(=O)N3CCC[C@@H](C)C3)nc2c1 ZINC000000412212 564133228 /nfs/dbraw/zinc/13/32/28/564133228.db2.gz VOBURNCCZCAHNC-CQSZACIVSA-N 0 0 339.464 3.766 40 30 EHEBRN CCN(Cc1ccccc1)c1nn(-c2ccccc2Cl)nc1C#N ZINC000256046886 564134686 /nfs/dbraw/zinc/13/46/86/564134686.db2.gz IQXYLHWGKWWARS-UHFFFAOYSA-N 0 0 337.814 3.819 40 30 EHEBRN CC(C)(C)Nc1nc(Nc2ccccc2C#N)cc(C(F)(F)F)n1 ZINC000329045974 564137637 /nfs/dbraw/zinc/13/76/37/564137637.db2.gz TYSHCDWCFBBMLM-UHFFFAOYSA-N 0 0 335.333 3.743 40 30 EHEBRN N#Cc1c(NC(=S)NCc2ccccc2)sc2c1CCCC2 ZINC000059444892 564161265 /nfs/dbraw/zinc/16/12/65/564161265.db2.gz WDUTVWWWXZIFKI-UHFFFAOYSA-N 0 0 327.478 3.985 40 30 EHEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C(C)(C)C(=O)/C(=N\O)C[C@@]43C)[C@@H]1CC[C@@H]2O ZINC000004744021 210267954 /nfs/dbraw/zinc/26/79/54/210267954.db2.gz ZGGIESAIKVBIDO-VWSOCGPRSA-N 0 0 345.483 3.955 40 30 EHEBRN CC/N=C1/S/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1CC ZINC000100223557 219095344 /nfs/dbraw/zinc/09/53/44/219095344.db2.gz IBKKCWGDGBYWQH-PHBZZUMJSA-N 0 0 343.496 3.989 40 30 EHEBRN O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1cccc(O)c1 ZINC000038796536 213226933 /nfs/dbraw/zinc/22/69/33/213226933.db2.gz KDIPRNQNOMSPQY-HYARGMPZSA-N 0 0 341.370 3.651 40 30 EHEBRN N#Cc1ccc2oc(-c3ccc(I)cc3)nc2c1 ZINC000216792202 241213080 /nfs/dbraw/zinc/21/30/80/241213080.db2.gz PHRMKOFLVPYXNE-UHFFFAOYSA-N 0 0 346.127 3.971 40 30 EHEBRN C#CCOC(=O)c1cccc(OCc2cccc(Br)c2)c1 ZINC000216849677 241215444 /nfs/dbraw/zinc/21/54/44/241215444.db2.gz SAUZYCIWFQYNLX-UHFFFAOYSA-N 0 0 345.192 3.818 40 30 EHEBRN CCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cc1C#N ZINC000225832257 242055448 /nfs/dbraw/zinc/05/54/48/242055448.db2.gz LMIZDUPSMJBCKP-KUHUBIRLSA-N 0 0 330.428 3.881 40 30 EHEBRN Cc1ccc(Cc2nn(Cc3ccc(Cl)cc3)c(N)c2C#N)cc1 ZINC000225840274 242058824 /nfs/dbraw/zinc/05/88/24/242058824.db2.gz WPVSRPSCQKQICR-UHFFFAOYSA-N 0 0 336.826 3.938 40 30 EHEBRN Cc1ccccc1Cn1nc(Cc2ccccc2Cl)c(C#N)c1N ZINC000225844168 242060992 /nfs/dbraw/zinc/06/09/92/242060992.db2.gz CKVXKVOBQKISJH-UHFFFAOYSA-N 0 0 336.826 3.938 40 30 EHEBRN COc1cccc(Oc2c(N)cc(C#N)n2Cc2ccccc2F)c1 ZINC000225884106 242069254 /nfs/dbraw/zinc/06/92/54/242069254.db2.gz YUJYVRWYSPJASH-UHFFFAOYSA-N 0 0 337.354 3.930 40 30 EHEBRN CC[C@@H](C)Oc1ccc(NC(=O)C(C)(C)Br)c(C#N)c1 ZINC000225786946 242034018 /nfs/dbraw/zinc/03/40/18/242034018.db2.gz HQELINGQALOOLR-SNVBAGLBSA-N 0 0 339.233 3.848 40 30 EHEBRN CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-] ZINC000020672618 212160273 /nfs/dbraw/zinc/16/02/73/212160273.db2.gz LYKDXZUDYHFSAH-SFHVURJKSA-N 0 0 348.362 3.822 40 30 EHEBRN CC(C)c1ccc([C@@H]2[C@H](C#N)C(=O)Nc3nc4ccccc4n32)cc1 ZINC000020637430 212158569 /nfs/dbraw/zinc/15/85/69/212158569.db2.gz CTWFWDYCRFLXQL-MAUKXSAKSA-N 0 0 330.391 3.841 40 30 EHEBRN C=CCn1c(=O)n(-c2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21 ZINC000010156766 211151225 /nfs/dbraw/zinc/15/12/25/211151225.db2.gz YJXAUIIMQOPADI-UHFFFAOYSA-N 0 0 347.201 3.645 40 30 EHEBRN Cc1ccc([C@H]2C(C(=O)c3ccccc3)C(C)=Nc3ncnn32)cc1 ZINC000009926747 211134464 /nfs/dbraw/zinc/13/44/64/211134464.db2.gz CAVZDCXZRRAWSR-SFHVURJKSA-N 0 0 330.391 3.758 40 30 EHEBRN C=CCO[C@H]1CC2(CCN(C(=O)N(C)C)CC2)c2ccc(C)cc21 ZINC000096241848 218714280 /nfs/dbraw/zinc/71/42/80/218714280.db2.gz QTKMCVSBMDPDKT-SFHVURJKSA-N 0 0 328.456 3.658 40 30 EHEBRN Cc1cc([N+](=O)[O-])c(N=NCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000005329243 210441275 /nfs/dbraw/zinc/44/12/75/210441275.db2.gz SGOXVBYJUWZHHS-PXNMLYILSA-N 0 0 334.719 3.911 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005167162 210404517 /nfs/dbraw/zinc/40/45/17/210404517.db2.gz PWCLWZOSAFOXFL-CXICGXRGSA-N 0 0 330.468 3.694 40 30 world EHEBRN C#CCN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2)C1=O ZINC000408917681 257886180 /nfs/dbraw/zinc/88/61/80/257886180.db2.gz ZVOKUXOOZBZYHH-QGOAFFKASA-N 0 0 349.411 3.935 40 30 EHEBRN Cc1cc(C=NN2C(=S)N=NC2C)c(C)n1-c1cccc(C)c1C ZINC000408864142 257887096 /nfs/dbraw/zinc/88/70/96/257887096.db2.gz UBOYXNMRBTWBKG-VXLYETTFSA-N 0 0 339.468 3.782 40 30 EHEBRN CCOC(=O)Cn1c(C)c(C=NNc2ccccc2)c2ccccc21 ZINC000408818032 257888161 /nfs/dbraw/zinc/88/81/61/257888161.db2.gz XQAHYEXAPDRIDL-FYJGNVAPSA-N 0 0 335.407 3.959 40 30 EHEBRN C=CCn1c(CCCC)nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000408562868 257896691 /nfs/dbraw/zinc/89/66/91/257896691.db2.gz SCFUXTOCKDYYAS-UHFFFAOYSA-N 0 0 344.484 3.846 40 30 EHEBRN FC(F)(F)C(F)(F)C(F)(F)O[C@@](F)(C[C@@H]1CO1)C(F)(F)F ZINC000095676999 258067293 /nfs/dbraw/zinc/06/72/93/258067293.db2.gz CSMFZPWRCMEYPI-DMTCNVIQSA-N 0 0 342.104 3.810 40 30 EHEBRN C=CCc1cc(C(=O)NCc2cccc(OCC)c2)ccc1OC ZINC000020046641 519127979 /nfs/dbraw/zinc/12/79/79/519127979.db2.gz AZQSUCLAHCGKES-UHFFFAOYSA-N 0 0 325.408 3.752 40 30 EHEBRN COc1ccc(CN/N=C/c2c(C)n(C)c3ccccc23)cc1OC ZINC000020196020 524016794 /nfs/dbraw/zinc/01/67/94/524016794.db2.gz XUJABDJWBXBDLE-LPYMAVHISA-N 0 0 337.423 3.628 40 30 EHEBRN CCO[C@](C)(C(=O)Nc1ccc(OCC(C)C)c(C#N)c1)C1CC1 ZINC000225836436 535651000 /nfs/dbraw/zinc/65/10/00/535651000.db2.gz IIIHCSQHRYWPTA-IBGZPJMESA-N 0 0 330.428 3.737 40 30 EHEBRN CC/C(=N/N1CCN(c2ccc(Cl)cc2)CC1)c1ccc(O)cc1 ZINC000004817443 563511995 /nfs/dbraw/zinc/51/19/95/563511995.db2.gz LHNOSZACJGUTKL-VZCXRCSSSA-N 0 0 343.858 3.982 40 30 EHEBRN COC(=O)C/N=C(\c1cccc(F)c1)c1cccc(C(F)(F)F)c1 ZINC000006440792 563568355 /nfs/dbraw/zinc/56/83/55/563568355.db2.gz FFLNCGMALMKJIE-JWGURIENSA-N 0 0 339.288 3.855 40 30 EHEBRN Cc1ccc(C(=O)/N=C2\C=C(C)C(=O)C(C)=C2Br)cc1 ZINC000026787171 563893460 /nfs/dbraw/zinc/89/34/60/563893460.db2.gz XSIUJANWIWERFV-QGOAFFKASA-N 0 0 332.197 3.774 40 30 EHEBRN CCCCCCCCCCCCNC(=O)C(=O)NCc1ccco1 ZINC000100999143 563982899 /nfs/dbraw/zinc/98/28/99/563982899.db2.gz JTMQDQRKCZGVFE-UHFFFAOYSA-N 0 0 336.476 3.933 40 30 EHEBRN C#CCOc1c2c(C)c(C(=O)OCC)oc2ccc1Br ZINC000085395633 563986292 /nfs/dbraw/zinc/98/62/92/563986292.db2.gz KTDTVHHCJSUVQL-UHFFFAOYSA-N 0 0 337.169 3.692 40 30 EHEBRN COc1ccc(-n2cccc2C=NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408910190 564007968 /nfs/dbraw/zinc/00/79/68/564007968.db2.gz JNEOVKYQSMJHQF-UYRXBGFRSA-N 0 0 336.351 3.840 40 30 EHEBRN C=CCc1cc(CO)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409115821 564010383 /nfs/dbraw/zinc/01/03/83/564010383.db2.gz HPPLMGUYTUQSFN-UHFFFAOYSA-N 0 0 343.379 3.793 40 30 EHEBRN CCN1C(=O)/C(=C\c2cccn2C)S/C1=N/c1ccc(F)cc1 ZINC000409229240 564011208 /nfs/dbraw/zinc/01/12/08/564011208.db2.gz LYFVAAIESGONGG-FFAYTRQJSA-N 0 0 329.400 3.788 40 30 EHEBRN Cc1nc2n(n1)[C@H](c1ccccc1Cl)C1C(=O)C[C@@H](C)CC1=N2 ZINC000014164962 564021589 /nfs/dbraw/zinc/02/15/89/564021589.db2.gz YJEFMMIBAUDIRY-XXFAHNHDSA-N 0 0 328.803 3.508 40 30 EHEBRN C=CCN1C(=O)[C@H]2[C@H](C1=O)[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 ZINC000169683780 564024106 /nfs/dbraw/zinc/02/41/06/564024106.db2.gz HFSDCGQZBRMPPA-XRXFAXGQSA-N 0 0 343.426 3.911 40 30 EHEBRN CCOc1c(Cl)cc(/C=N/NCc2ccccc2OC)cc1OC ZINC000020763015 564033460 /nfs/dbraw/zinc/03/34/60/564033460.db2.gz IHZMTPHDYGTLML-RGVLZGJSSA-N 0 0 348.830 3.880 40 30 EHEBRN Fc1c(F)c(F)c(N=NCc2ccc3c(c2)OCO3)c(F)c1F ZINC000005582711 564070468 /nfs/dbraw/zinc/07/04/68/564070468.db2.gz DJPQWIYTAZENBY-LRNAUUFOSA-N 0 0 330.212 3.557 40 30 EHEBRN C=C1C(=O)O[C@H]2[C@H]1C[C@@H]1O[C@@H]2[C@@H](C)CCC/C(C)=C\CC[C@@]1(C)O ZINC000005395879 564070565 /nfs/dbraw/zinc/07/05/65/564070565.db2.gz RFCBIORAGZWLAM-GTTWGPNWSA-N 0 0 334.456 3.539 40 30 EHEBRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H]5O[C@@]5(O)[C@@]4(C)CC[C@@H]32)C1 ZINC000012654122 564084566 /nfs/dbraw/zinc/08/45/66/564084566.db2.gz VDWPXFJLZWNCAR-CCOGIYSMSA-N 0 0 346.467 3.578 40 30 EHEBRN O=C1N/C(=N\c2ccccc2)S/C1=C\c1cc(Cl)ccc1O ZINC000003030838 564129758 /nfs/dbraw/zinc/12/97/58/564129758.db2.gz LMPPHWMWNVPWHO-ZROIWOOFSA-N 0 0 330.796 3.937 40 30 EHEBRN CCNC(=S)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C ZINC000006318835 564129790 /nfs/dbraw/zinc/12/97/90/564129790.db2.gz ZHYPUQLBZGUXOQ-RGVLZGJSSA-N 0 0 328.485 3.529 40 30 EHEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O ZINC000409156573 564133717 /nfs/dbraw/zinc/13/37/17/564133717.db2.gz GKZUUBPGOSUELP-CXUHLZMHSA-N 0 0 338.363 3.934 40 30 EHEBRN CCc1ccc([C@@H]2[C@@H](C=O)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000252514288 564133815 /nfs/dbraw/zinc/13/38/15/564133815.db2.gz BTOUIDOWHDNYCC-KZNAEPCWSA-N 0 0 348.851 3.657 40 30 EHEBRN N#Cc1ccccc1Nc1cc(C2CC2)nc(NC2CCCCC2)n1 ZINC000328966594 564137503 /nfs/dbraw/zinc/13/75/03/564137503.db2.gz CMVUQDYBFRRNPC-UHFFFAOYSA-N 0 0 333.439 3.558 40 30 EHEBRN CC(C)OC(=O)c1ccc(NC(=O)c2ccc(C#N)cc2F)cc1 ZINC000020528794 564141190 /nfs/dbraw/zinc/14/11/90/564141190.db2.gz WNNPOQSHPFADRK-UHFFFAOYSA-N 0 0 326.327 3.515 40 30 EHEBRN CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000245204771 564168715 /nfs/dbraw/zinc/16/87/15/564168715.db2.gz GZENKSODFLBBHQ-MXSCUDFWSA-N 0 0 344.495 3.940 40 30 EHEBRN N#CCSC1=N/C(=C/c2cccs2)C(=O)N1c1ccccc1 ZINC000261526992 568419482 /nfs/dbraw/zinc/41/94/82/568419482.db2.gz UABBPKGANXRFJE-SDNWHVSQSA-N 0 0 325.418 3.749 40 30 EHEBRN Cc1nccn1Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000038849886 213228751 /nfs/dbraw/zinc/22/87/51/213228751.db2.gz NYAYIMWWYCJUQP-UHFFFAOYSA-N 0 0 330.391 3.558 40 30 EHEBRN C/C(=N/NC(=S)Nc1ccccc1C(F)(F)F)c1ccncc1 ZINC000035600487 213041302 /nfs/dbraw/zinc/04/13/02/213041302.db2.gz GIBDBFPEGOWWOR-FBHDLOMBSA-N 0 0 338.358 3.811 40 30 EHEBRN CC(C)(C)c1ccc([C@H]2c3sc(=O)[nH]c3SC[C@H]2C=O)cc1 ZINC000032594575 212814545 /nfs/dbraw/zinc/81/45/45/212814545.db2.gz QQXZQTGHYXKJOX-DGCLKSJQSA-N 0 0 333.478 3.787 40 30 EHEBRN CCOC(=O)[C@@H](C#N)[C@H](c1ccc(OC)cc1)[C@@H]1CCOC(C)(C)C1 ZINC000000209755 209485909 /nfs/dbraw/zinc/48/59/09/209485909.db2.gz ZKJYSYRVQLSDGW-BPQIPLTHSA-N 0 0 345.439 3.687 40 30 EHEBRN C=CC/C=C(/COCCC#N)[Si](C)(c1ccccc1)c1ccccc1 ZINC000195820223 241035217 /nfs/dbraw/zinc/03/52/17/241035217.db2.gz OYLHNGIZAXFIQG-UUYOSTAYSA-N 0 0 347.534 3.851 40 30 EHEBRN N#Cc1c(N)nc(SC2CCCC2)nc1COc1ccc(F)cc1 ZINC000223688790 241680150 /nfs/dbraw/zinc/68/01/50/241680150.db2.gz ZFKXAVSGPNVLTI-UHFFFAOYSA-N 0 0 344.415 3.683 40 30 EHEBRN C=CCOc1cccc(NC(=S)NCCN(C)c2ccccc2)c1 ZINC000225572089 241931643 /nfs/dbraw/zinc/93/16/43/241931643.db2.gz OPNBMUDVBFZREG-UHFFFAOYSA-N 0 0 341.480 3.674 40 30 EHEBRN N#Cc1c(N)n(Cc2ccc(Br)cc2)nc1C1CCCC1 ZINC000225843263 242059210 /nfs/dbraw/zinc/05/92/10/242059210.db2.gz DOFUYLAOIXVXQC-UHFFFAOYSA-N 0 0 345.244 3.805 40 30 EHEBRN Cc1ccc(COc2nn(Cc3cccc(C)c3)c(N)c2C#N)c(C)c1 ZINC000225845407 242061561 /nfs/dbraw/zinc/06/15/61/242061561.db2.gz ITISBSDFDRGKRQ-UHFFFAOYSA-N 0 0 346.434 3.890 40 30 EHEBRN CCCO[C@]1(C(=O)Nc2ccc(OC)c(C#N)c2)CCC[C@@H](C)C1 ZINC000225854395 242063597 /nfs/dbraw/zinc/06/35/97/242063597.db2.gz FMOKRCAUPWPVHN-AUUYWEPGSA-N 0 0 330.428 3.881 40 30 EHEBRN COC(C)(C)CCOc1c(N)cc(C#N)n1Cc1ccc(Cl)cc1 ZINC000225878283 242068107 /nfs/dbraw/zinc/06/81/07/242068107.db2.gz WYVGJFAAZGGHBG-UHFFFAOYSA-N 0 0 347.846 3.838 40 30 EHEBRN CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000020672594 212159497 /nfs/dbraw/zinc/15/94/97/212159497.db2.gz YTDDPDYJRQRSPK-SFHVURJKSA-N 0 0 348.362 3.822 40 30 EHEBRN CCSc1nc2n(n1)[C@@H](c1ccccc1)C1C(=O)C[C@H](C)CC1=N2 ZINC000019959541 212090718 /nfs/dbraw/zinc/09/07/18/212090718.db2.gz KAJSZAIPIVIDFZ-BZNIZROVSA-N 0 0 340.452 3.658 40 30 EHEBRN CC(=O)Nc1ccc(-c2cc(-c3ccccc3)c(C#N)c(N)n2)cc1 ZINC000019095791 212000254 /nfs/dbraw/zinc/00/02/54/212000254.db2.gz BZXAOUVLGYOFEG-UHFFFAOYSA-N 0 0 328.375 3.828 40 30 EHEBRN Cc1ccc(NN=C2SC(=O)N=C2Nc2ccc(O)cc2)cc1 ZINC000012338772 211353259 /nfs/dbraw/zinc/35/32/59/211353259.db2.gz GDPRMGFLMUXJNY-HKWRFOASSA-N 0 0 326.381 3.613 40 30 EHEBRN COc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1O ZINC000009195209 211051951 /nfs/dbraw/zinc/05/19/51/211051951.db2.gz TWAHLOYJXXZLEL-QGMBQPNBSA-N 0 0 325.195 3.831 40 30 EHEBRN Cc1nnc(C)n1/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000006546898 210651404 /nfs/dbraw/zinc/65/14/04/210651404.db2.gz YXLHPLHXHREUOS-FYJGNVAPSA-N 0 0 342.406 3.630 40 30 EHEBRN COC(=O)[C@H](C)O/N=C1\C=C[C@](C)(C(Cl)(Cl)Cl)C=C1C ZINC000004982876 210348813 /nfs/dbraw/zinc/34/88/13/210348813.db2.gz WXOZSZPEXKXRJM-JSMKXFSQSA-N 0 0 340.634 3.813 40 30 EHEBRN CC(=O)O[C@@H]1CC[C@@]2(C=O)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118929219 221205249 /nfs/dbraw/zinc/20/52/49/221205249.db2.gz OJRZFJGEWPAMMR-MIBLLKTRSA-N 0 0 344.451 3.629 40 30 EHEBRN COc1ccc(OC)c(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c1 ZINC000409199334 257874967 /nfs/dbraw/zinc/87/49/67/257874967.db2.gz CIWCOXKVCPACMZ-LENJVWSZSA-N 0 0 348.468 3.793 40 30 EHEBRN O=C1NC(=N/N=C/c2ccccc2F)S/C1=C\c1ccccc1F ZINC000408972956 257885093 /nfs/dbraw/zinc/88/50/93/257885093.db2.gz ILHPIHTZAXDXGY-ZMSCOZPXSA-N 0 0 343.358 3.559 40 30 EHEBRN O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1ccccc1O ZINC000408748821 257889540 /nfs/dbraw/zinc/88/95/40/257889540.db2.gz ICDKSUNNHGVKCI-RIYZIHGNSA-N 0 0 330.796 3.937 40 30 EHEBRN CCOc1c(OC)cc(C#N)cc1C(=O)Nc1ccc(Cl)cc1 ZINC000408583891 257895645 /nfs/dbraw/zinc/89/56/45/257895645.db2.gz YIEQZWHWBHQZRB-UHFFFAOYSA-N 0 0 330.771 3.871 40 30 EHEBRN CC1(C)CC(=O)C2=C(C1)OC(N)=C([N+](=O)[O-])[C@@H]2c1ccccc1Cl ZINC000000031257 257837469 /nfs/dbraw/zinc/83/74/69/257837469.db2.gz LGPCRZQBBYFJRP-CYBMUJFWSA-N 0 0 348.786 3.502 40 30 EHEBRN N#Cc1ccccc1N1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000016526239 135710074 /nfs/dbraw/zinc/71/00/74/135710074.db2.gz XYKUMQUHMPBXPX-UHFFFAOYSA-N 0 0 341.414 3.674 40 30 EHEBRN C=CCc1cc(C(=O)N[C@H](C)c2ccc(OC)cc2)ccc1OC ZINC000020110490 519128520 /nfs/dbraw/zinc/12/85/20/519128520.db2.gz JXICJPLOWKCMTC-CQSZACIVSA-N 0 0 325.408 3.923 40 30 EHEBRN CC1=C[C@@H](CC#N)[C@H](C(C)C)C[C@H]1CC(=O)NCc1cccnc1 ZINC000030882540 520880510 /nfs/dbraw/zinc/88/05/10/520880510.db2.gz BBLCKQVDCPWMMM-QYZOEREBSA-N 0 0 325.456 3.856 40 30 biogenic,in-vitro EHEBRN O=[N+]([O-])c1ccc(N=NCCSCc2ccccc2)c([N+](=O)[O-])c1 ZINC000004802392 527358799 /nfs/dbraw/zinc/35/87/99/527358799.db2.gz RGSKENGFZSJEIX-LZYBPNLTSA-N 0 0 346.368 3.834 40 30 EHEBRN CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2C=O)cc1 ZINC000218669239 536194961 /nfs/dbraw/zinc/19/49/61/536194961.db2.gz BTOUIDOWHDNYCC-KURKYZTESA-N 0 0 348.851 3.657 40 30 EHEBRN CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2C#N)cc1 ZINC000218638871 536194970 /nfs/dbraw/zinc/19/49/70/536194970.db2.gz BZWCPGPMNBMHAT-KURKYZTESA-N 0 0 345.851 3.982 40 30 EHEBRN CCCCCCCC(=O)N1[C@@H]2C[C@H]3CC[C@]2(CS1(=O)=O)C3(C)C ZINC000001636817 563398142 /nfs/dbraw/zinc/39/81/42/563398142.db2.gz JSPHNRUWCOHPAN-IIDMSEBBSA-N 0 0 341.517 3.714 40 30 EHEBRN C#CCOc1ccc([N+](=O)[O-])cc1/C=C/C(=O)c1ccc(OC)cc1 ZINC000408656923 563522880 /nfs/dbraw/zinc/52/28/80/563522880.db2.gz HWIKZHYJWCPWER-UXBLZVDNSA-N 0 0 337.331 3.512 40 30 EHEBRN N=C(NOC(=O)NC(Cl)=C(Cl)Cl)c1ccc(Cl)cc1 ZINC000005707370 563546641 /nfs/dbraw/zinc/54/66/41/563546641.db2.gz HFGBFGRQRYQZES-UHFFFAOYSA-N 0 0 342.997 3.530 40 30 EHEBRN S=C(N/N=C(\c1ccccc1)c1ccccn1)Nc1ccccc1 ZINC000005741782 563548462 /nfs/dbraw/zinc/54/84/62/563548462.db2.gz PAGRYEABVYHANL-RELWKKBWSA-N 0 0 332.432 3.821 40 30 EHEBRN Cc1cc(Cl)cc(/C=N/c2ccccc2N2CCOCC2)c1O ZINC000032115307 563913526 /nfs/dbraw/zinc/91/35/26/563913526.db2.gz KEUFOUKNRDURRP-UDWIEESQSA-N 0 0 330.815 3.941 40 30 EHEBRN C=CCOc1cccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c1 ZINC000047081163 563987465 /nfs/dbraw/zinc/98/74/65/563987465.db2.gz DZYIJQBGQJHWAE-PKNBQFBNSA-N 0 0 339.391 3.921 40 30 EHEBRN C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000224695782 563994637 /nfs/dbraw/zinc/99/46/37/563994637.db2.gz AWGDLPSMUBKSTJ-UHFFFAOYSA-N 0 0 331.437 3.775 40 30 EHEBRN CCn1ncc(CN=Nc2nc(-c3ccc(OC)cc3)cs2)c1F ZINC000225390815 563995838 /nfs/dbraw/zinc/99/58/38/563995838.db2.gz OUTKKRVMFSHDRI-QGMBQPNBSA-N 0 0 345.403 3.620 40 30 EHEBRN C=CCOc1cccc(NC(=S)NCCCOC2CCCC2)c1 ZINC000225620589 563995933 /nfs/dbraw/zinc/99/59/33/563995933.db2.gz YGNWORXTUQJJRW-UHFFFAOYSA-N 0 0 334.485 3.887 40 30 EHEBRN COc1ccc(Cl)cc1/C=N/c1ccc(N2CCOCC2)cc1 ZINC000408932715 564008161 /nfs/dbraw/zinc/00/81/61/564008161.db2.gz YVGKVFIPHZOYAY-DEDYPNTBSA-N 0 0 330.815 3.936 40 30 EHEBRN CCOC(=O)COc1ccc(/C=C2\Sc3ccccc3C2=O)cc1 ZINC000408984544 564008644 /nfs/dbraw/zinc/00/86/44/564008644.db2.gz IFQXZJFXEWBEBY-BOPFTXTBSA-N 0 0 340.400 3.958 40 30 EHEBRN C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C1=O ZINC000409128030 564010399 /nfs/dbraw/zinc/01/03/99/564010399.db2.gz DJULPWDEZOWVLU-LDADJPATSA-N 0 0 349.434 3.790 40 30 EHEBRN C=CCc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(OC)c1OC ZINC000409329748 564011731 /nfs/dbraw/zinc/01/17/31/564011731.db2.gz HZRIBMQOTUOVED-GXDHUFHOSA-N 0 0 349.477 3.653 40 30 EHEBRN O=C1C(=NNc2ccc(Cl)cc2)c2ccccc2N1C1CSC1 ZINC000223718091 564040676 /nfs/dbraw/zinc/04/06/76/564040676.db2.gz GXSZYYZDEAXXMK-SILNSSARSA-N 0 0 343.839 3.618 40 30 EHEBRN N=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ncccc1[N+](=O)[O-] ZINC000225243923 564045500 /nfs/dbraw/zinc/04/55/00/564045500.db2.gz VOXKFTOUDWGDHK-UHFFFAOYSA-N 0 0 349.350 3.840 40 30 EHEBRN Clc1cccc(-c2csc(NC3=NCCCN3)n2)c1Cl ZINC000255189241 564053930 /nfs/dbraw/zinc/05/39/30/564053930.db2.gz OQAAZXSRJWTNAN-UHFFFAOYSA-N 0 0 327.240 3.687 40 30 EHEBRN CCC(=NOC/C=C/Cl)C1C(=O)CC(C2CCOCC2)CC1=O ZINC000299888414 564060903 /nfs/dbraw/zinc/06/09/03/564060903.db2.gz IOYNQIMAUDJVEI-ZYPYBTOTSA-N 0 0 341.835 3.739 40 30 EHEBRN C=CC[C@@]1(C(=O)OCC)CCCN(C(=O)OCc2ccccc2)C1 ZINC000090735428 564065156 /nfs/dbraw/zinc/06/51/56/564065156.db2.gz UNCPFQLCMLNOSJ-LJQANCHMSA-N 0 0 331.412 3.545 40 30 EHEBRN C=C1N(c2cc(OC)c(OC)c(OC)c2)C(=O)OC12CCCCC2 ZINC000001627516 564074744 /nfs/dbraw/zinc/07/47/44/564074744.db2.gz RQLLDCVKAPCUHG-UHFFFAOYSA-N 0 0 333.384 3.886 40 30 EHEBRN CCOc1cc(I)cc(C#N)c1OCC(C)C ZINC000225291137 564133766 /nfs/dbraw/zinc/13/37/66/564133766.db2.gz SVJHYOLTKVDIBC-UHFFFAOYSA-N 0 0 345.180 3.596 40 30 EHEBRN C[C@H]1C[C@H](C)CN(c2c(N)cc(C#N)n2Cc2ccccc2F)C1 ZINC000225868063 564150861 /nfs/dbraw/zinc/15/08/61/564150861.db2.gz SFIMLLYJMGXKNR-KBPBESRZSA-N 0 0 326.419 3.612 40 30 EHEBRN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](C#N)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000242648507 564162211 /nfs/dbraw/zinc/16/22/11/564162211.db2.gz QXSVQYIHIIZGRS-GVDBMIGSSA-N 0 0 331.824 3.728 40 30 EHEBRN CCCCCCCCCCC(C(=O)OCC)=C(O)C(=O)OCC ZINC000100301543 219096164 /nfs/dbraw/zinc/09/61/64/219096164.db2.gz ZOANUFSGMIBOMO-OAHLLOKOSA-N 0 0 328.449 3.829 40 30 EHEBRN CCCCCCCCCCCC(=O)NC[C@@H](O)C[N+]([O-])(CC)CC ZINC000102999994 219247237 /nfs/dbraw/zinc/24/72/37/219247237.db2.gz OVWIBDGEEJITLV-GOSISDBHSA-N 0 0 344.540 3.739 40 30 EHEBRN Cc1nc(-c2ccc(N=Cc3cc(=O)[nH]c(=S)[nH]3)cc2)cs1 ZINC000104119653 219348127 /nfs/dbraw/zinc/34/81/27/219348127.db2.gz BFGFWNXOFVJJCP-APSNUPSMSA-N 0 0 328.422 3.653 40 30 EHEBRN CCOC(=O)/C(=N/Nc1ccccc1Cl)N1C[C@H](C)C[C@@H](C)C1 ZINC000035426772 213026623 /nfs/dbraw/zinc/02/66/23/213026623.db2.gz RHWHKFRIEKNBTJ-ISORKSKUSA-N 0 0 337.851 3.606 40 30 EHEBRN CCOC(=O)c1c(Cl)c2cc(C#N)ccc2nc1C(F)(F)F ZINC000072414075 216205530 /nfs/dbraw/zinc/20/55/30/216205530.db2.gz RBCPHVKDZRKPTP-UHFFFAOYSA-N 0 0 328.677 3.955 40 30 EHEBRN Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@H]2C#N)cc1 ZINC000218528094 241329201 /nfs/dbraw/zinc/32/92/01/241329201.db2.gz HABCYFGCFVRUEK-IKGGRYGDSA-N 0 0 331.824 3.728 40 30 EHEBRN CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@H]2C=O)cc1 ZINC000218669319 241337007 /nfs/dbraw/zinc/33/70/07/241337007.db2.gz BTOUIDOWHDNYCC-SQNIBIBYSA-N 0 0 348.851 3.657 40 30 EHEBRN C=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000224924895 241786227 /nfs/dbraw/zinc/78/62/27/241786227.db2.gz OGRNWNFXODZHIV-UHFFFAOYSA-N 0 0 349.427 3.994 40 30 EHEBRN CO[C@@]1(C(=O)Nc2ccc(OC(C)C)cc2C#N)CCC[C@@H](C)C1 ZINC000225809202 242046343 /nfs/dbraw/zinc/04/63/43/242046343.db2.gz YZGQQCHUSSXQDC-KUHUBIRLSA-N 0 0 330.428 3.879 40 30 EHEBRN Cc1cccc(OCCn2c(C#N)cc(N)c2Cc2ccccc2)c1 ZINC000225861907 242066552 /nfs/dbraw/zinc/06/65/52/242066552.db2.gz BNCUNBNCWPPMAA-UHFFFAOYSA-N 0 0 331.419 3.920 40 30 EHEBRN N#Cc1cn(C(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc12 ZINC000226361694 242101255 /nfs/dbraw/zinc/10/12/55/242101255.db2.gz LGNWMSMFPVLGMD-UHFFFAOYSA-N 0 0 325.711 3.763 40 30 EHEBRN CC(C)c1ccc([C@H]2[C@@H](C#N)C(=O)Nc3nc4ccccc4n32)cc1 ZINC000020637426 212158667 /nfs/dbraw/zinc/15/86/67/212158667.db2.gz CTWFWDYCRFLXQL-QAPCUYQASA-N 0 0 330.391 3.841 40 30 EHEBRN CCCC(NOCC)=C1C(=O)CC(C[C@@H](C)SCC)CC1=O ZINC000008664072 210977485 /nfs/dbraw/zinc/97/74/85/210977485.db2.gz JEFHGYSGNIFAEY-PZORYLMUSA-N 0 0 327.490 3.662 40 30 EHEBRN CCC[C@@]12C=C(OC)C(=O)C=C1O[C@H](c1ccc3c(c1)OCO3)[C@@H]2C ZINC000005664290 210511672 /nfs/dbraw/zinc/51/16/72/210511672.db2.gz KSGVAKCYDJGWFT-OUWQEXSBSA-N 0 0 342.391 3.906 40 30 EHEBRN Cn1cccc1/C=C1/S/C(=N\c2ccc(F)c(Cl)c2)NC1=O ZINC000005376815 210453919 /nfs/dbraw/zinc/45/39/19/210453919.db2.gz FOUOZVPYIGIFEL-MDWZMJQESA-N 0 0 335.791 3.709 40 30 EHEBRN CC(=O)[C@H]1C[C@H](O)[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000005167206 210404157 /nfs/dbraw/zinc/40/41/57/210404157.db2.gz LEWIUXKKQXGQRR-UOUVBWGTSA-N 0 0 330.468 3.694 40 30 in-vitro EHEBRN C=C(C)COc1ccc([C@H]2NC(=O)c3ccccc3O2)cc1OCC ZINC000004997910 210354625 /nfs/dbraw/zinc/35/46/25/210354625.db2.gz DSKUKCIIKHXYSY-FQEVSTJZSA-N 0 0 339.391 3.861 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C ZINC000004895933 210314127 /nfs/dbraw/zinc/31/41/27/210314127.db2.gz WKLSIBAACVYLOP-PXMIYXPUSA-N 0 0 348.458 3.642 40 30 EHEBRN CCOc1ccc(CN=Nc2ncccc2[N+](=O)[O-])c2ccccc12 ZINC000409104061 257879686 /nfs/dbraw/zinc/87/96/86/257879686.db2.gz DCTFSPGCMHLKKR-UDWIEESQSA-N 0 0 336.351 3.988 40 30 EHEBRN C#CCOc1ccc2ccccc2c1CN=Nc1ncccc1[N+](=O)[O-] ZINC000409075622 257880513 /nfs/dbraw/zinc/88/05/13/257880513.db2.gz SKHUCUVBUJJJLT-FYJGNVAPSA-N 0 0 346.346 3.601 40 30 EHEBRN CCCCCCCCNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000408706709 257892084 /nfs/dbraw/zinc/89/20/84/257892084.db2.gz CYFLZPIRRJUNRC-UHFFFAOYSA-N 0 0 328.815 3.894 40 30 EHEBRN C=CCSc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000219798570 135590578 /nfs/dbraw/zinc/59/05/78/135590578.db2.gz WMFQHLVZHRHBSS-UHFFFAOYSA-N 0 0 338.476 3.927 40 30 EHEBRN C/C(=N/OC(=O)COc1ccccc1)c1ccc(Br)cc1 ZINC000005005262 518455992 /nfs/dbraw/zinc/45/59/92/518455992.db2.gz YKNLXYYLRCEMHG-PDGQHHTCSA-N 0 0 348.196 3.795 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@@H](C)Sc2ccccc2)s1 ZINC000021577589 519089542 /nfs/dbraw/zinc/08/95/42/519089542.db2.gz OWVLCNSAFTWQEV-SNVBAGLBSA-N 0 0 337.495 3.936 40 30 EHEBRN C=CCn1cc(/C=N/NCc2ccc(OC)c(OC)c2)c2ccccc21 ZINC000020196028 519275133 /nfs/dbraw/zinc/27/51/33/519275133.db2.gz OUQOPJVTNBIBBM-OEAKJJBVSA-N 0 0 349.434 3.968 40 30 EHEBRN Cc1nn(C)c(C)c1/C=N/N=C(/C(=O)c1ccccc1)c1ccccc1 ZINC000021187712 527602978 /nfs/dbraw/zinc/60/29/78/527602978.db2.gz REDVKSRXRKSXII-DAEAJKMYSA-N 0 0 344.418 3.743 40 30 EHEBRN CCOC1(C(=O)Nc2ccc(OC(C)=O)c(C#N)c2)CCCCCC1 ZINC000225830903 535744217 /nfs/dbraw/zinc/74/42/17/535744217.db2.gz AENJAJGKNCRIBT-UHFFFAOYSA-N 0 0 344.411 3.552 40 30 EHEBRN COc1ccc(Br)cc1/C=N/OCc1ccccc1C#N ZINC000408596762 563495119 /nfs/dbraw/zinc/49/51/19/563495119.db2.gz UHHDCJAHDNPINM-VXLYETTFSA-N 0 0 345.196 3.880 40 30 EHEBRN O=[N+]([O-])c1ccc(Oc2ccc(CN=Nc3ccccn3)cc2)nc1 ZINC000408739567 563639507 /nfs/dbraw/zinc/63/95/07/563639507.db2.gz XTGOUCCPCLVJIA-RGVLZGJSSA-N 0 0 335.323 3.623 40 30 EHEBRN Cc1ccsc1/C=N\N1CCN(Cc2ccc(C)cc2C)CC1 ZINC000013111223 563688160 /nfs/dbraw/zinc/68/81/60/563688160.db2.gz YERKOSLZJSQSEU-MOSHPQCFSA-N 0 0 327.497 3.825 40 30 EHEBRN CC(=O)Oc1ccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc1 ZINC000015009111 563771490 /nfs/dbraw/zinc/77/14/90/563771490.db2.gz IRPJZSMQZKELRN-LFIBNONCSA-N 0 0 338.388 3.504 40 30 EHEBRN CSC(=Nc1ccc(C)cc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000016292633 563807850 /nfs/dbraw/zinc/80/78/50/563807850.db2.gz SMYHQHAIFJHTSY-UHFFFAOYSA-N 0 0 334.466 3.823 40 30 EHEBRN C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO ZINC000257361313 563971070 /nfs/dbraw/zinc/97/10/70/563971070.db2.gz ZESRJSPZRDMNHY-ZOCXKQACSA-N 0 0 330.468 3.696 40 30 EHEBRN C=CCNC(=O)c1ccccc1NC(=S)Nc1ccc(F)cc1 ZINC000225458095 563995870 /nfs/dbraw/zinc/99/58/70/563995870.db2.gz DASACRSZNCLVPR-UHFFFAOYSA-N 0 0 329.400 3.550 40 30 EHEBRN Cc1c(/C=N/NC(=S)Nc2ccc(C(C)C)cc2)cc(C#N)n1C ZINC000008123097 564006955 /nfs/dbraw/zinc/00/69/55/564006955.db2.gz GYIZDUJGLUYRFD-RGVLZGJSSA-N 0 0 339.468 3.649 40 30 EHEBRN C#CCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1Cl ZINC000409078828 564009548 /nfs/dbraw/zinc/00/95/48/564009548.db2.gz JNQNFJUKTLUPOJ-PTNGSMBKSA-N 0 0 337.762 3.697 40 30 EHEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N\c1cccc(O)c1 ZINC000409106453 564010103 /nfs/dbraw/zinc/01/01/03/564010103.db2.gz NPAVFQDQJLFFDO-MOSHPQCFSA-N 0 0 326.396 3.760 40 30 EHEBRN C=CCN1C(=O)N/C(=C/c2ccc(Sc3ccccc3)o2)C1=O ZINC000409124502 564010380 /nfs/dbraw/zinc/01/03/80/564010380.db2.gz AQMNWVZLZAIXHM-SDNWHVSQSA-N 0 0 326.377 3.510 40 30 EHEBRN COc1ccc(/N=C\c2cc(C)n(NC(=O)c3ccccc3)c2C)cn1 ZINC000409216028 564011161 /nfs/dbraw/zinc/01/11/61/564011161.db2.gz DETAUYIJNWLDJB-MTJSOVHGSA-N 0 0 348.406 3.643 40 30 EHEBRN C=CCn1c(-c2ccccc2)nn(CN2CCC(C)CC2)c1=S ZINC000000209408 564012191 /nfs/dbraw/zinc/01/21/91/564012191.db2.gz WPFZOEAJYYWALL-UHFFFAOYSA-N 0 0 328.485 3.956 40 30 EHEBRN Cc1cccc([C@@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ncnn32)c1 ZINC000014165186 564021599 /nfs/dbraw/zinc/02/15/99/564021599.db2.gz JVJRGVHDUSPTSG-AUUYWEPGSA-N 0 0 346.390 3.595 40 30 EHEBRN Cc1nc2n(n1)[C@H](c1ccc(C(C)C)cc1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000014608129 564023627 /nfs/dbraw/zinc/02/36/27/564023627.db2.gz YYFJVKKCRZJLSQ-HXPMCKFVSA-N 0 0 336.439 3.978 40 30 EHEBRN CC(=O)O[C@H]1C[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000025553826 564038158 /nfs/dbraw/zinc/03/81/58/564038158.db2.gz WGJULUODXUVWJZ-ZYVPZICASA-N 0 0 344.451 3.629 40 30 EHEBRN C=CCOc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000074291100 564064022 /nfs/dbraw/zinc/06/40/22/564064022.db2.gz QOFXKEDIFRLTLN-UHFFFAOYSA-N 0 0 336.391 3.631 40 30 EHEBRN C=C(C)COc1cccc(C(=O)NCc2cccc(OCC)c2)c1 ZINC000219789100 564084180 /nfs/dbraw/zinc/08/41/80/564084180.db2.gz PZGSPKCDXPZQER-UHFFFAOYSA-N 0 0 325.408 3.970 40 30 EHEBRN COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OC ZINC000015553128 564127928 /nfs/dbraw/zinc/12/79/28/564127928.db2.gz KZMILQYORKFRIV-KEBDBYFISA-N 0 0 330.771 3.780 40 30 EHEBRN CCNC(=S)N/N=C/c1cc(C)n(-c2cccc(C)c2C)c1C ZINC000006570033 564129802 /nfs/dbraw/zinc/12/98/02/564129802.db2.gz GLPNBVNBTSHQOO-RGVLZGJSSA-N 0 0 328.485 3.529 40 30 EHEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccccc2F)C1=O ZINC000409164039 564133721 /nfs/dbraw/zinc/13/37/21/564133721.db2.gz BPCOFFUQGJHABG-CXUHLZMHSA-N 0 0 338.363 3.934 40 30 EHEBRN CCCC(=O)Nc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1 ZINC000009141841 564134232 /nfs/dbraw/zinc/13/42/32/564134232.db2.gz UWLRWRGTCIGLAF-UHFFFAOYSA-N 0 0 325.343 3.688 40 30 EHEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccs2)C1=O ZINC000208287558 564134442 /nfs/dbraw/zinc/13/44/42/564134442.db2.gz OQYQJVFXRKSKGU-RIYZIHGNSA-N 0 0 326.402 3.856 40 30 EHEBRN Cc1ccc(C)c(-n2nc(C#N)c(N3CC[C@@H](c4ccccc4)C3)n2)c1 ZINC000256045751 564134691 /nfs/dbraw/zinc/13/46/91/564134691.db2.gz AUZGVKMPXWKMFR-GOSISDBHSA-N 0 0 343.434 3.750 40 30 EHEBRN CN(c1nn(-c2cccc(C(F)(F)F)c2)nc1C#N)C1CCCCC1 ZINC000256047076 564134703 /nfs/dbraw/zinc/13/47/03/564134703.db2.gz KFNLSLULCJPTSH-UHFFFAOYSA-N 0 0 349.360 3.927 40 30 EHEBRN C=C1C(=O)O[C@@H]2/C=C(\C)C[C@H]3C=C(CC/C=C(\C)CC[C@@H]12)C(=O)O3 ZINC000031155727 564158991 /nfs/dbraw/zinc/15/89/91/564158991.db2.gz KTYZKXFERQUCPX-SIKGVNBJSA-N 0 0 328.408 3.793 40 30 biogenic,in-vitro EHEBRN CCNC(=S)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000004510875 210208960 /nfs/dbraw/zinc/20/89/60/210208960.db2.gz XEUJJWYAFXWPJD-MFOYZWKCSA-N 0 0 339.873 3.902 40 30 EHEBRN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2ccccn2)cc1 ZINC000004475182 210196781 /nfs/dbraw/zinc/19/67/81/210196781.db2.gz FAFAWVSGQCLZCP-NDENLUEZSA-N 0 0 337.452 3.809 40 30 EHEBRN O=C(C=CNc1ccc2c(c1)OCO2)c1ccc(Br)cc1 ZINC000101063810 219115594 /nfs/dbraw/zinc/11/55/94/219115594.db2.gz NGJQFQWVEWCGNY-BQYQJAHWSA-N 0 0 346.180 3.986 40 30 EHEBRN CCCCCCCCCCc1c(C)nc(N2CCOCC2)[nH]c1=O ZINC000102241499 219192046 /nfs/dbraw/zinc/19/20/46/219192046.db2.gz UNLIMFUTQHZTKY-UHFFFAOYSA-N 0 0 335.492 3.598 40 30 EHEBRN C=CCCc1ccc(I)cc1C(=O)OCC ZINC000039951633 213243934 /nfs/dbraw/zinc/24/39/34/213243934.db2.gz XLMJGGLRJSTBQF-UHFFFAOYSA-N 0 0 330.165 3.587 40 30 EHEBRN CCOC(=O)/C(=N/Nc1ccccc1Cl)N1CCCC[C@H]1CC ZINC000038163865 213204161 /nfs/dbraw/zinc/20/41/61/213204161.db2.gz WUVXNDRYXAVHCA-SFKFPXOQSA-N 0 0 337.851 3.893 40 30 EHEBRN Cc1cccc2cc(C#N)c(SCC(=O)N3CCCCC3)nc12 ZINC000000421666 209582889 /nfs/dbraw/zinc/58/28/89/209582889.db2.gz MTDLSEZIJZABRJ-UHFFFAOYSA-N 0 0 325.437 3.520 40 30 EHEBRN CCCO[C@@](C)(C(=O)Nc1ccc(OC(C)C)cc1C#N)C1CC1 ZINC000225858579 242065556 /nfs/dbraw/zinc/06/55/56/242065556.db2.gz BYEWMGCKFTVBSO-LJQANCHMSA-N 0 0 330.428 3.879 40 30 EHEBRN COc1ccccc1Oc1c(N)cc(C#N)n1Cc1ccc(F)cc1 ZINC000225883618 242070114 /nfs/dbraw/zinc/07/01/14/242070114.db2.gz FUJFUOXWYZEDLK-UHFFFAOYSA-N 0 0 337.354 3.930 40 30 EHEBRN CC(C)c1ccc([C@H]2[C@H](C#N)C(=O)Nc3nc4ccccc4n32)cc1 ZINC000020637432 212158446 /nfs/dbraw/zinc/15/84/46/212158446.db2.gz CTWFWDYCRFLXQL-YJBOKZPZSA-N 0 0 330.391 3.841 40 30 EHEBRN C#C[C@]1(O)CC[C@@H]2[C@@H]3CC[C@]4(Cl)CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C ZINC000256073499 244066459 /nfs/dbraw/zinc/06/64/59/244066459.db2.gz LUASCMMEHVJZGP-PHJNVHRLSA-N 0 0 334.887 3.934 40 30 EHEBRN C=CCOc1ccc(NC(=O)CCc2ccc(OC)c(OC)c2)cc1 ZINC000020044323 212097120 /nfs/dbraw/zinc/09/71/20/212097120.db2.gz UUJGIVXFBJCPAZ-UHFFFAOYSA-N 0 0 341.407 3.840 40 30 EHEBRN CCSc1nc2n(n1)[C@H](c1ccccc1)C1C(=O)C[C@H](C)CC1=N2 ZINC000019959537 212090449 /nfs/dbraw/zinc/09/04/49/212090449.db2.gz KAJSZAIPIVIDFZ-BDJLRTHQSA-N 0 0 340.452 3.658 40 30 EHEBRN CSc1ccc(/C=N\N2CCN(Cc3ccccc3)CC2)cc1 ZINC000019771566 212063605 /nfs/dbraw/zinc/06/36/05/212063605.db2.gz NRNWHIYQAKZDIM-HKWRFOASSA-N 0 0 325.481 3.560 40 30 EHEBRN COc1ccccc1-c1cc(-c2ccc([N+](=O)[O-])cc2)nc(N)c1C#N ZINC000019571559 212044278 /nfs/dbraw/zinc/04/42/78/212044278.db2.gz MAPMYRUVDVHFIU-UHFFFAOYSA-N 0 0 346.346 3.786 40 30 EHEBRN C=CC(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 ZINC000017195935 211960363 /nfs/dbraw/zinc/96/03/63/211960363.db2.gz FYXRGLSUYBQDPY-IWGRKNQJSA-N 0 0 329.399 3.751 40 30 EHEBRN C/C(=N\NC(=S)N1CCCCCC1)c1cccc2cccnc21 ZINC000016941092 211942605 /nfs/dbraw/zinc/94/26/05/211942605.db2.gz KKURDNASMPVGKT-XSFVSMFZSA-N 0 0 326.469 3.709 40 30 EHEBRN COc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1OC ZINC000009322994 211067281 /nfs/dbraw/zinc/06/72/81/211067281.db2.gz WIKLDHUVCBZCQS-LENJVWSZSA-N 0 0 348.468 3.793 40 30 EHEBRN Cc1cc(Br)ccc1NC(=O)COc1ccc(C#N)cc1 ZINC000005108778 210391942 /nfs/dbraw/zinc/39/19/42/210391942.db2.gz HHARYGIDWAPQJX-UHFFFAOYSA-N 0 0 345.196 3.647 40 30 EHEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)c(O)c3)S2)c(C)c1 ZINC000008410569 257911875 /nfs/dbraw/zinc/91/18/75/257911875.db2.gz PIFUCTJXYYHTSG-SXGWCWSVSA-N 0 0 340.404 3.606 40 30 EHEBRN CCCC(NOCC)=C1C(=O)CC(C[C@H](C)SCC)CC1=O ZINC000005789871 519885249 /nfs/dbraw/zinc/88/52/49/519885249.db2.gz JEFHGYSGNIFAEY-UEWDXFNNSA-N 0 0 327.490 3.662 40 30 EHEBRN Cc1ccc(C(=O)/C=C(\C(=O)c2ccc(C)cc2)N2CCOCC2)cc1 ZINC000017328700 526013791 /nfs/dbraw/zinc/01/37/91/526013791.db2.gz FWGYGNSDPBEBCY-HMMYKYKNSA-N 0 0 349.430 3.585 40 30 EHEBRN CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC(C)=O)cc1C#N ZINC000225827864 535139721 /nfs/dbraw/zinc/13/97/21/535139721.db2.gz XIZMRPLTBSNIEK-IBGZPJMESA-N 0 0 346.427 3.798 40 30 EHEBRN CCCCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000408707111 563594925 /nfs/dbraw/zinc/59/49/25/563594925.db2.gz KBTRFLZVQVFAQK-UHFFFAOYSA-N 0 0 328.815 3.894 40 30 EHEBRN C=CCOc1c(/C=C2/SC(=S)N(CC=C)C2=O)cccc1OC ZINC000408526935 563412546 /nfs/dbraw/zinc/41/25/46/563412546.db2.gz CVWQFQKFOATJHL-SDNWHVSQSA-N 0 0 347.461 3.647 40 30 EHEBRN CC1=CC[C@@H](CN=Nc2nnc3c4ccccc4n(C)c3n2)[C@@H](C)C1 ZINC000005394067 563531185 /nfs/dbraw/zinc/53/11/85/563531185.db2.gz DUXNNMLOOZGYBR-CFWACLDLSA-N 0 0 334.427 3.907 40 30 EHEBRN C=CCN1/C(=N/c2ccccn2)SC[C@]1(O)c1ccc(CC)cc1 ZINC000005928974 563554414 /nfs/dbraw/zinc/55/44/14/563554414.db2.gz HCFOSRIYXKBMMZ-UQNFDQQLSA-N 0 0 339.464 3.712 40 30 EHEBRN O=C(/C=C/N1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 ZINC000006276544 563563630 /nfs/dbraw/zinc/56/36/30/563563630.db2.gz QVAHBDWNPKJWFW-MDZDMXLPSA-N 0 0 344.817 3.998 40 30 EHEBRN O=[N+]([O-])c1ccc(N=NC(c2ccccc2)C2CC2)c([N+](=O)[O-])c1 ZINC000006514083 563570834 /nfs/dbraw/zinc/57/08/34/563570834.db2.gz OMYNCJQABJKSKD-VLGSPTGOSA-N 0 0 326.312 3.729 40 30 EHEBRN C=CCc1cc(C(=O)Nc2ccccc2C(=O)OCC)ccc1OC ZINC000408703402 563590594 /nfs/dbraw/zinc/59/05/94/563590594.db2.gz QVTRBJJXDGACKN-UHFFFAOYSA-N 0 0 339.391 3.853 40 30 EHEBRN Cc1ccc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000016739382 563821872 /nfs/dbraw/zinc/82/18/72/563821872.db2.gz PQWLYSBPFYMUTB-STZFKDTASA-N 0 0 327.859 3.800 40 30 EHEBRN Cc1ccc(S(=O)(=O)N/N=C2\C=CC3(CCCCC3)CC2)cc1 ZINC000017105622 563836309 /nfs/dbraw/zinc/83/63/09/563836309.db2.gz HJTAZAJKJFHCAW-KNTRCKAVSA-N 0 0 332.469 3.930 40 30 EHEBRN Cc1ccc(N2C(=O)CS/C2=N/C(=S)Nc2ccccc2)cc1 ZINC000013656072 563931470 /nfs/dbraw/zinc/93/14/70/563931470.db2.gz GHCVYILDDNHSNH-HTXNQAPBSA-N 0 0 341.461 3.828 40 30 EHEBRN C=CCN(c1ccccc1C)S(=O)(=O)c1ccc(OCC)cc1 ZINC000224577346 563994383 /nfs/dbraw/zinc/99/43/83/563994383.db2.gz AEMPQTWJFGOJSW-UHFFFAOYSA-N 0 0 331.437 3.775 40 30 EHEBRN C=CCOc1ccc(N(CC=C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000224698981 563994621 /nfs/dbraw/zinc/99/46/21/563994621.db2.gz JBQAFIHBJMJGNI-UHFFFAOYSA-N 0 0 343.448 3.941 40 30 EHEBRN C=CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224715971 563994691 /nfs/dbraw/zinc/99/46/91/563994691.db2.gz SXZHULAUSNKIMF-UHFFFAOYSA-N 0 0 343.782 4.000 40 30 EHEBRN C=CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225016994 563995470 /nfs/dbraw/zinc/99/54/70/563995470.db2.gz LLRLAOXNZJWFLU-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN C=CCN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225095091 563995619 /nfs/dbraw/zinc/99/56/19/563995619.db2.gz LZLDDFRVFBKRKW-UHFFFAOYSA-N 0 0 349.427 3.832 40 30 EHEBRN CCOc1cccc(/C=N/c2sc3c(c2C(=O)OC)CCC3)c1O ZINC000000290921 563996716 /nfs/dbraw/zinc/99/67/16/563996716.db2.gz HUQYUJHHTOGOPA-VXLYETTFSA-N 0 0 345.420 3.878 40 30 EHEBRN C=CCOc1c(CC=C)cc(/C=C2\SC(=O)N(C)C2=O)cc1OC ZINC000408815414 564007378 /nfs/dbraw/zinc/00/73/78/564007378.db2.gz HPACWDAHVUTXQG-PTNGSMBKSA-N 0 0 345.420 3.655 40 30 EHEBRN C=CCc1cc(C=O)cc(OCC)c1OCc1ccc2c(c1)OCO2 ZINC000408846100 564007548 /nfs/dbraw/zinc/00/75/48/564007548.db2.gz IMBABVFQVFMWGU-UHFFFAOYSA-N 0 0 340.375 3.934 40 30 EHEBRN CC1N=NC(=S)N1N=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000408877989 564007765 /nfs/dbraw/zinc/00/77/65/564007765.db2.gz ZPBFUQMMBGTVLG-RGVLZGJSSA-N 0 0 347.447 3.760 40 30 EHEBRN CCOc1cc2c(cc1/C=N\c1cccc(C(=O)OC)c1C)OCO2 ZINC000409094843 564009627 /nfs/dbraw/zinc/00/96/27/564009627.db2.gz GINCYOSAVTVEDX-JMIUGGIZSA-N 0 0 341.363 3.660 40 30 EHEBRN COc1c(Cl)cc(CN=Nc2ncccc2[N+](=O)[O-])cc1Cl ZINC000409103966 564009815 /nfs/dbraw/zinc/00/98/15/564009815.db2.gz ZYNQRWJIQLXBQO-REZTVBANSA-N 0 0 341.154 3.751 40 30 EHEBRN O=C(N=C1NC(=O)/C(=C/c2cccs2)S1)c1ccc(Cl)cc1 ZINC000409144114 564010523 /nfs/dbraw/zinc/01/05/23/564010523.db2.gz NGYSNHTWAOXEKY-WQLSENKSSA-N 0 0 348.836 3.802 40 30 EHEBRN C=CCOc1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1 ZINC000009696394 564016932 /nfs/dbraw/zinc/01/69/32/564016932.db2.gz AWCUOPAKGAMGQA-UHFFFAOYSA-N 0 0 337.828 3.847 40 30 EHEBRN C=CCC1(CC=C)CCN1C(=O)c1cnn(-c2ccc(F)cc2)c1 ZINC000013996331 564020867 /nfs/dbraw/zinc/02/08/67/564020867.db2.gz JEQIYSPCPDTALO-UHFFFAOYSA-N 0 0 325.387 3.748 40 30 EHEBRN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccccc1O ZINC000254288941 564124715 /nfs/dbraw/zinc/12/47/15/564124715.db2.gz MQMJSASATWYVEJ-UHFFFAOYSA-N 0 0 341.370 3.651 40 30 EHEBRN CC(=O)Nc1cccc(-c2nc(SCc3ccccc3C#N)n[nH]2)c1 ZINC000007604783 564126799 /nfs/dbraw/zinc/12/67/99/564126799.db2.gz IFDNIXOGTHYBTC-UHFFFAOYSA-N 0 0 349.419 3.594 40 30 EHEBRN CCc1ccc(C(=O)C=CNc2ccc(N3CCOCC3)cc2)cc1 ZINC000006026813 564129796 /nfs/dbraw/zinc/12/97/96/564129796.db2.gz LIXJNIHLADXOTN-VAWYXSNFSA-N 0 0 336.435 3.894 40 30 EHEBRN CCOC(=O)C[C@H](n1nc(C(F)F)cc1C(F)F)C(F)(F)F ZINC000685936627 564133287 /nfs/dbraw/zinc/13/32/87/564133287.db2.gz LQQPGCQOSUYBRI-ZETCQYMHSA-N 0 0 336.207 3.815 40 30 EHEBRN CC(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000009140964 564134190 /nfs/dbraw/zinc/13/41/90/564134190.db2.gz YAYUJEASBJXGRL-JTQLQIEISA-N 0 0 335.498 3.604 40 30 EHEBRN CCN(Cc1ccccc1)c1nn(-c2ccc(Cl)cc2)nc1C#N ZINC000256048945 564134709 /nfs/dbraw/zinc/13/47/09/564134709.db2.gz XGHMIFPMIZMSLL-UHFFFAOYSA-N 0 0 337.814 3.819 40 30 EHEBRN CC(C)(C)Nc1nc(Nc2cccc(C#N)c2)cc(C(F)(F)F)n1 ZINC000329048465 564137651 /nfs/dbraw/zinc/13/76/51/564137651.db2.gz UKLBWJSYUZLSNQ-UHFFFAOYSA-N 0 0 335.333 3.743 40 30 EHEBRN CCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(O)[C@@H]3CC[C@]12C ZINC000263611577 1138332528 /nfs/dbraw/zinc/33/25/28/1138332528.db2.gz XGQPQFRJMKCXBL-JNCUIMROSA-N 0 0 346.467 3.565 40 30 EHEBRN CCCN(CCC)O[S@@](=O)c1ccc(C(=O)SCC)cc1 ZINC000004642998 210237490 /nfs/dbraw/zinc/23/74/90/210237490.db2.gz CNWURIGAWIKNJE-NRFANRHFSA-N 0 0 329.487 3.656 40 30 EHEBRN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2ccncc2)cc1 ZINC000004475196 210196481 /nfs/dbraw/zinc/19/64/81/210196481.db2.gz ZDCUWFOHNUDXCK-NDENLUEZSA-N 0 0 337.452 3.809 40 30 EHEBRN CCCCCCCCOCCOC[C@@H](O)COCCOCCCC ZINC000100923936 219112026 /nfs/dbraw/zinc/11/20/26/219112026.db2.gz LTUVLDROXOWYGR-IBGZPJMESA-N 0 0 348.524 3.574 40 30 EHEBRN CN(C)[P@](=O)(/C(=N/c1ccccc1)N1CCCC1)N1CCCC1 ZINC000101144957 219118095 /nfs/dbraw/zinc/11/80/95/219118095.db2.gz FHCNACFDJKNIJX-SDFCAVLBSA-N 0 0 334.404 3.620 40 30 EHEBRN CCO/C=C1\C(=O)C=C(C)C[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000001668915 209779304 /nfs/dbraw/zinc/77/93/04/209779304.db2.gz QQAVAYYMUFZIKB-ADVGAGMGSA-N 0 0 332.396 3.636 40 30 EHEBRN C=CCn1c([C@H](CC(C)C)NC(=O)c2cccs2)n[nH]c1=S ZINC000038536898 213213942 /nfs/dbraw/zinc/21/39/42/213213942.db2.gz OVCACJXKQIQFNX-NSHDSACASA-N 0 0 336.486 3.705 40 30 EHEBRN CO[C@]1(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCC[C@@H](C)C1 ZINC000225808733 242046735 /nfs/dbraw/zinc/04/67/35/242046735.db2.gz CBWHVLZLNIJAEC-AUUYWEPGSA-N 0 0 330.428 3.879 40 30 EHEBRN CCCO[C@]1(C(=O)Nc2ccc(OC)cc2C#N)CCC[C@H](C)C1 ZINC000225854955 242062486 /nfs/dbraw/zinc/06/24/86/242062486.db2.gz ASMUOXSGAQYDKU-IFXJQAMLSA-N 0 0 330.428 3.881 40 30 EHEBRN CC(C)COc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1C#N ZINC000225783990 242034358 /nfs/dbraw/zinc/03/43/58/242034358.db2.gz FWIGJNCMHJKGOC-UHFFFAOYSA-N 0 0 335.618 3.902 40 30 EHEBRN CCCCOc1ccc(NC(=O)C(C)(C)Br)c(C#N)c1 ZINC000225786912 242034948 /nfs/dbraw/zinc/03/49/48/242034948.db2.gz MONSPETWAOQGGS-UHFFFAOYSA-N 0 0 339.233 3.849 40 30 EHEBRN CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000021006183 212199747 /nfs/dbraw/zinc/19/97/47/212199747.db2.gz DTYUCTRPAHPRJJ-HXUWFJFHSA-N 0 0 346.434 3.980 40 30 EHEBRN C=C1C(C)(C)[C@@H]2CC[C@@]1(C(=O)NCCn1nc(C)c(Cl)c1C)C2 ZINC000019578266 212047085 /nfs/dbraw/zinc/04/70/85/212047085.db2.gz NZDHBXFWDBFVML-RDTXWAMCSA-N 0 0 335.879 3.652 40 30 EHEBRN O=C1c2ccccc2C(=O)N1/C(=N/Cc1ccccc1)c1ccccc1 ZINC000017917402 211975584 /nfs/dbraw/zinc/97/55/84/211975584.db2.gz OLTXWQKGYHUXMH-BSYVCWPDSA-N 0 0 340.382 3.930 40 30 EHEBRN CCO[C@@H]1Oc2ccccc2C(=O)C1=CNc1ccc(C(C)=O)cc1 ZINC000006392950 210627467 /nfs/dbraw/zinc/62/74/67/210627467.db2.gz PNUKRFQQTRQSFG-MJLBXUHQSA-N 0 0 337.375 3.823 40 30 EHEBRN COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]3C[C@@H]4O[C@]4(C(C)C)[C@H]4O[C@]43CC[C@@H]12 ZINC000005086733 210387203 /nfs/dbraw/zinc/38/72/03/210387203.db2.gz WNZDGJFVLRXZST-GRPNHFIBSA-N 0 0 348.483 3.717 40 30 EHEBRN C=CCOc1c(Cl)cc([C@@H]2NC(=O)c3ccccc3O2)cc1OC ZINC000005001214 210357781 /nfs/dbraw/zinc/35/77/81/210357781.db2.gz YTUJZWGAZGAYRH-GOSISDBHSA-N 0 0 345.782 3.734 40 30 EHEBRN Cc1cc(NN=Cc2cccc([N+](=O)[O-])c2)nc(-c2ccccc2)n1 ZINC000005002609 210356651 /nfs/dbraw/zinc/35/66/51/210356651.db2.gz HFWNQNJNGSPJCA-XDHOZWIPSA-N 0 0 333.351 3.806 40 30 EHEBRN C/C(=N/O)C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C ZINC000118914870 221203656 /nfs/dbraw/zinc/20/36/56/221203656.db2.gz XETDBTMQGVJJOY-GNRAYDFVSA-N 0 0 345.483 3.667 40 30 EHEBRN C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C ZINC000118932317 221205094 /nfs/dbraw/zinc/20/50/94/221205094.db2.gz YUMWOIMGKYOLOA-SYVORCANSA-N 0 0 334.431 3.540 40 30 EHEBRN O=[N+]([O-])c1cccnc1N=NCc1ccc(N2CCCCC2)c(F)c1 ZINC000409103317 257879743 /nfs/dbraw/zinc/87/97/43/257879743.db2.gz VZEQARBZQMUGOR-UDWIEESQSA-N 0 0 343.362 3.565 40 30 EHEBRN COc1ccc(/C(C)=N/NCc2ccccc2Cl)cc1[N+](=O)[O-] ZINC000408710564 257891620 /nfs/dbraw/zinc/89/16/20/257891620.db2.gz HWVGIINZKUENLY-YBFXNURJSA-N 0 0 333.775 3.771 40 30 EHEBRN C=CCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2OC)cc1 ZINC000014039206 257858908 /nfs/dbraw/zinc/85/89/08/257858908.db2.gz CPOWQLXGCDDXNE-CQSZACIVSA-N 0 0 327.380 3.666 40 30 EHEBRN O=C1CCCC2=C1CC1=C(CCCC1=O)N2c1cccc([N+](=O)[O-])c1 ZINC000001640471 135655803 /nfs/dbraw/zinc/65/58/03/135655803.db2.gz APRPTHKQNLKGCM-UHFFFAOYSA-N 0 0 338.363 3.819 40 30 EHEBRN C#CCOC(=O)[C@H](C)Oc1ccc(Oc2ncc(Cl)cc2F)cc1 ZINC000026893938 518294703 /nfs/dbraw/zinc/29/47/03/518294703.db2.gz JBDHZKLJNAIJNC-NSHDSACASA-N 0 0 349.745 3.610 40 30 EHEBRN C=CCc1cc(C)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000001562051 519130714 /nfs/dbraw/zinc/13/07/14/519130714.db2.gz RQDGSSYBFPMSJR-UHFFFAOYSA-N 0 0 342.307 3.759 40 30 EHEBRN COc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1C#N ZINC000225798543 536753592 /nfs/dbraw/zinc/75/35/92/536753592.db2.gz CSSMXQVYLSEOOR-UHFFFAOYSA-N 0 0 332.444 3.983 40 30 EHEBRN Cc1cc(NN=C2C(=O)Nc3c2cccc3F)ccc1Br ZINC000223758877 564040796 /nfs/dbraw/zinc/04/07/96/564040796.db2.gz LLKKSCLHNKKZBL-UHFFFAOYSA-N 0 0 348.175 3.665 40 30 EHEBRN Oc1ccc(Br)cc1/C=N/c1nonc1-c1ccccc1 ZINC000000438246 563313294 /nfs/dbraw/zinc/31/32/94/563313294.db2.gz GBLJUJXYQMKXKX-RQZCQDPDSA-N 0 0 344.168 3.955 40 30 EHEBRN O=C1CCCC2=C1C(c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)O2 ZINC000034886962 563362992 /nfs/dbraw/zinc/36/29/92/563362992.db2.gz HWYRWNAUPVMNQJ-UHFFFAOYSA-N 0 0 339.347 3.723 40 30 EHEBRN CCOc1ccc(Cl)cc1/C=N\OCC(=O)Nc1ccccc1 ZINC000035059474 563413793 /nfs/dbraw/zinc/41/37/93/563413793.db2.gz RRWGRFRTNVAQLI-ODLFYWEKSA-N 0 0 332.787 3.728 40 30 EHEBRN CCN(CC)c1ccc([C@H](O)C2=CC(=O)c3ccccc3C2=O)cc1 ZINC000002044352 563419448 /nfs/dbraw/zinc/41/94/48/563419448.db2.gz ITMUNRMIPBDJRP-FQEVSTJZSA-N 0 0 335.403 3.572 40 30 EHEBRN CCCOc1ccccc1CN=Nc1nc(C)cc(COC)c1C#N ZINC000408604546 563497189 /nfs/dbraw/zinc/49/71/89/563497189.db2.gz VHAICWXYNLNOEI-CIAFOILYSA-N 0 0 338.411 3.643 40 30 EHEBRN CC1=CC[C@H](CN=Nc2nnc3c4ccccc4n(C)c3n2)[C@H](C)C1 ZINC000005394006 563530695 /nfs/dbraw/zinc/53/06/95/563530695.db2.gz DUXNNMLOOZGYBR-WKKYRENDSA-N 0 0 334.427 3.907 40 30 EHEBRN CCOc1ccc(C=NNc2nc3ccccc3n2C)c(OCC)c1 ZINC000408669811 563539940 /nfs/dbraw/zinc/53/99/40/563539940.db2.gz XFLPHEUMMYHYFF-DEDYPNTBSA-N 0 0 338.411 3.817 40 30 EHEBRN N=C(Nc1nc(-c2ccccn2)cc2ccccc21)c1ccccn1 ZINC000006583978 563573596 /nfs/dbraw/zinc/57/35/96/563573596.db2.gz VZJMIYLTPATHJF-UHFFFAOYSA-N 0 0 325.375 3.729 40 30 EHEBRN C=CCOc1cccc(NC(=S)NCc2cccc(OC)c2)c1 ZINC000225834893 563995979 /nfs/dbraw/zinc/99/59/79/563995979.db2.gz WDEYXTVCXUSOMP-UHFFFAOYSA-N 0 0 328.437 3.747 40 30 EHEBRN COc1ccc(C=Nn2c(=S)[n-]nc2-c2ccc(OC)cc2)cc1 ZINC000001306203 564001915 /nfs/dbraw/zinc/00/19/15/564001915.db2.gz DRVVCGNBZDZICF-WQRHYEAKSA-N 0 0 340.408 3.507 40 30 EHEBRN Fc1cccc(Cl)c1/C=N/NC(=S)NCCc1ccccc1 ZINC000006889761 564006682 /nfs/dbraw/zinc/00/66/82/564006682.db2.gz BDUVELMMBSSBRN-RGVLZGJSSA-N 0 0 335.835 3.520 40 30 EHEBRN Cc1cc(/C=N\c2ccccc2I)c(C)n1C ZINC000408780838 564007243 /nfs/dbraw/zinc/00/72/43/564007243.db2.gz LVLIKYPVTOKWBR-SXGWCWSVSA-N 0 0 338.192 3.997 40 30 EHEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(C)C2=O)cc1Cl ZINC000408820076 564007444 /nfs/dbraw/zinc/00/74/44/564007444.db2.gz SYUIOZMCAJVFOW-XFFZJAGNSA-N 0 0 342.203 3.672 40 30 EHEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccco2)S1 ZINC000408883524 564007793 /nfs/dbraw/zinc/00/77/93/564007793.db2.gz RGPIHMISHVPLKR-JYRVWZFOSA-N 0 0 334.784 3.833 40 30 EHEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCC)cc2OCC)C1=O ZINC000409074265 564009506 /nfs/dbraw/zinc/00/95/06/564009506.db2.gz PPDDMZVJCYXNEA-XNTDXEJSSA-N 0 0 333.409 3.706 40 30 EHEBRN C=CCN1C(=O)N/C(=C/c2ccc(O[C@H](C)CC)c(Cl)c2)C1=O ZINC000409138861 564010459 /nfs/dbraw/zinc/01/04/59/564010459.db2.gz IYWBSZWGTCMODL-ZTMOJVSCSA-N 0 0 334.803 3.596 40 30 EHEBRN C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O ZINC000409138214 564010488 /nfs/dbraw/zinc/01/04/88/564010488.db2.gz ZMYORVSOQKEXDA-XDHOZWIPSA-N 0 0 349.434 3.790 40 30 EHEBRN CCOc1cc(/C=N\O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 ZINC000409269649 564011427 /nfs/dbraw/zinc/01/14/27/564011427.db2.gz LDKNRKWGVDBBNA-JAIQZWGSSA-N 0 0 342.395 3.528 40 30 EHEBRN CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Cl)c1O ZINC000113855426 564019755 /nfs/dbraw/zinc/01/97/55/564019755.db2.gz AFGWDODDATZGCS-JYRVWZFOSA-N 0 0 343.766 3.789 40 30 EHEBRN C=CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)SC1=S ZINC000038704538 564031892 /nfs/dbraw/zinc/03/18/92/564031892.db2.gz ABRQWATUDQFDEZ-QBFSEMIESA-N 0 0 334.466 3.657 40 30 EHEBRN CCNC(=S)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000107973846 564034669 /nfs/dbraw/zinc/03/46/69/564034669.db2.gz JBZGYNPAYXDCKY-KEBDBYFISA-N 0 0 348.903 3.874 40 30 EHEBRN COc1ccc(/C=N\O)cc1OCc1cccc(Br)c1 ZINC000216849802 564079080 /nfs/dbraw/zinc/07/90/80/564079080.db2.gz IIZZHJYDSGFLMQ-MFOYZWKCSA-N 0 0 336.185 3.845 40 30 EHEBRN C=CCOc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1 ZINC000032407878 564079356 /nfs/dbraw/zinc/07/93/56/564079356.db2.gz QLSVBVMPRREFFI-UHFFFAOYSA-N 0 0 331.799 3.714 40 30 EHEBRN COC(=O)C1=CC(=NNc2sc(C#N)c(C)c2C#N)C=CC1=O ZINC000016249586 564081146 /nfs/dbraw/zinc/08/11/46/564081146.db2.gz CQYZFCYZSUABSM-VHEBQXMUSA-N 0 0 326.337 3.707 40 30 EHEBRN CC[C@@H](C)Sc1nc(N)c(C#N)c(COc2cccc(C)c2)n1 ZINC000223684524 564081760 /nfs/dbraw/zinc/08/17/60/564081760.db2.gz GHADRZJRGXCOHJ-GFCCVEGCSA-N 0 0 328.441 3.709 40 30 EHEBRN CC[C@H](C)Sc1nc(N)c(C#N)c(COc2cccc(C)c2)n1 ZINC000223684579 564081774 /nfs/dbraw/zinc/08/17/74/564081774.db2.gz GHADRZJRGXCOHJ-LBPRGKRZSA-N 0 0 328.441 3.709 40 30 EHEBRN Cc1ccccc1OCc1nc(SCC(C)C)nc(N)c1C#N ZINC000223682646 564081777 /nfs/dbraw/zinc/08/17/77/564081777.db2.gz FVERSFCTQXZHHH-UHFFFAOYSA-N 0 0 328.441 3.566 40 30 EHEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/C=C/c2ccco2)C1=O ZINC000409169788 564133700 /nfs/dbraw/zinc/13/37/00/564133700.db2.gz ZZVZXZNKKPYIQY-KSSILLOLSA-N 0 0 336.372 3.944 40 30 EHEBRN CCc1ccccc1-n1nc(C#N)c(N(CC)Cc2ccccc2)n1 ZINC000256048666 564134722 /nfs/dbraw/zinc/13/47/22/564134722.db2.gz VHPHYHMQGXGZRB-UHFFFAOYSA-N 0 0 331.423 3.728 40 30 EHEBRN COc1ccccc1-c1c(C#N)c(N)nc2c1CCc1ccccc1-2 ZINC000019095823 564136441 /nfs/dbraw/zinc/13/64/41/564136441.db2.gz YXWQAIXEVLWLDJ-UHFFFAOYSA-N 0 0 327.387 3.977 40 30 EHEBRN N#C[C@@H]1[C@@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000225668205 564150200 /nfs/dbraw/zinc/15/02/00/564150200.db2.gz BXSOYSQGXKOYBI-BZUAXINKSA-N 0 0 335.787 3.559 40 30 EHEBRN N#Cc1c(Cl)nc(N=NCc2ccncc2)c(Cl)c1Cl ZINC000033921864 568415099 /nfs/dbraw/zinc/41/50/99/568415099.db2.gz ASQZRBQOYAOLGT-FXBPXSCXSA-N 0 0 326.574 3.754 40 30 EHEBRN COc1ccc(C2N=NC(=S)N2N=Cc2cccc(Cl)c2)cc1 ZINC000004679922 210246552 /nfs/dbraw/zinc/24/65/52/210246552.db2.gz HXKUZVKLHRESLR-ZDLGFXPLSA-N 0 0 344.827 3.778 40 30 EHEBRN NC(=S)N/N=C/c1cccc(OCc2cccc3ccccc32)c1 ZINC000004503264 210206900 /nfs/dbraw/zinc/20/69/00/210206900.db2.gz UWPAOOMTARMHSV-CIAFOILYSA-N 0 0 335.432 3.586 40 30 EHEBRN CCc1ccc(/C=N/c2ccc(N3CCN(C(C)=O)CC3)cc2)cc1 ZINC000100384659 219098251 /nfs/dbraw/zinc/09/82/51/219098251.db2.gz MKXGGCBLDMNJBV-CJLVFECKSA-N 0 0 335.451 3.668 40 30 EHEBRN N#CCCn1cc([C@H]2CC(c3ccccc3)=NNC2=O)c2ccccc21 ZINC000004458869 210193244 /nfs/dbraw/zinc/19/32/44/210193244.db2.gz WGGOWGCKWYSHCV-QGZVFWFLSA-N 0 0 342.402 3.563 40 30 EHEBRN Clc1ccc([C@@H]2NN=C3NC(=Nc4ccccc4)S[C@H]32)cc1 ZINC000101510672 219129532 /nfs/dbraw/zinc/12/95/32/219129532.db2.gz WFJFZWNIGMZTOU-KBPBESRZSA-N 0 0 328.828 3.691 40 30 EHEBRN O[C@@H](Nc1ccc(OC(F)(F)F)c(C(F)(F)F)c1)C(F)(F)F ZINC000103638970 219318926 /nfs/dbraw/zinc/31/89/26/219318926.db2.gz VGCASKFJGXJFIY-SSDOTTSWSA-N 0 0 343.145 3.897 40 30 EHEBRN O=C(/C=C/N(Cc1ccco1)C(=O)c1cccs1)C(F)(F)F ZINC000002565159 209867981 /nfs/dbraw/zinc/86/79/81/209867981.db2.gz WQQBZPOZGFNLDV-AATRIKPKSA-N 0 0 329.299 3.629 40 30 EHEBRN O=C1c2ccccc2C(=O)N1/C(=N\Cc1ccccc1)c1ccccc1 ZINC000104194132 219358188 /nfs/dbraw/zinc/35/81/88/219358188.db2.gz OLTXWQKGYHUXMH-ATJXCDBQSA-N 0 0 340.382 3.930 40 30 EHEBRN CCNC(=S)N=NCc1ccccc1OCc1ccc(F)cc1 ZINC000001968953 209809779 /nfs/dbraw/zinc/80/97/79/209809779.db2.gz NBVRVPWPOVYNAJ-RGVLZGJSSA-N 0 0 331.416 3.634 40 30 EHEBRN Cc1ccc(S(=O)(=O)O[C@H]2CCCCCCCC[C@@H]2O)cc1 ZINC000001709175 209785157 /nfs/dbraw/zinc/78/51/57/209785157.db2.gz HEFXAEAXCPZBCO-IRXDYDNUSA-N 0 0 326.458 3.564 40 30 EHEBRN Cc1cc(C)c(C#N)c(SCC(=O)Nc2cccc(Cl)c2)n1 ZINC000000251160 209504508 /nfs/dbraw/zinc/50/45/08/209504508.db2.gz MWVDMAASMHLZGX-UHFFFAOYSA-N 0 0 331.828 3.954 40 30 EHEBRN COc1cc(C(=O)O/N=C/c2ccc(F)c(Cl)c2)cc(Cl)n1 ZINC000000165223 209460785 /nfs/dbraw/zinc/46/07/85/209460785.db2.gz KONXPYRYPCAZAR-CNHKJKLMSA-N 0 0 343.141 3.727 40 30 EHEBRN C[C@H]1CC(=O)C2C(=Nc3ncnn3[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000022608023 212310309 /nfs/dbraw/zinc/31/03/09/212310309.db2.gz QMKBMVQFHBMVSM-GLEZIHRCSA-N 0 0 349.221 3.853 40 30 EHEBRN Cc1cc(I)ccc1-c1ccc(/C=N/O)o1 ZINC000216768449 241210182 /nfs/dbraw/zinc/21/01/82/241210182.db2.gz NBLQQVKSOVNWAN-VGOFMYFVSA-N 0 0 327.121 3.668 40 30 EHEBRN C=CCOc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 ZINC000219200050 241370507 /nfs/dbraw/zinc/37/05/07/241370507.db2.gz YSROHGSPRVQFTG-UHFFFAOYSA-N 0 0 336.391 3.631 40 30 EHEBRN C=CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225104203 241796901 /nfs/dbraw/zinc/79/69/01/241796901.db2.gz MICCEPHLCAYFBL-UHFFFAOYSA-N 0 0 349.427 3.832 40 30 EHEBRN Cc1ccc(Cn2nc(Cc3ccccc3Cl)c(C#N)c2N)cc1 ZINC000225845868 242061516 /nfs/dbraw/zinc/06/15/16/242061516.db2.gz MQGFEPUDACFRSX-UHFFFAOYSA-N 0 0 336.826 3.938 40 30 EHEBRN Cc1cccc(Cn2nc(OCc3ccccc3C)c(C#N)c2N)c1 ZINC000225845206 242061666 /nfs/dbraw/zinc/06/16/66/242061666.db2.gz LTLIEYYNAPXTTL-UHFFFAOYSA-N 0 0 332.407 3.581 40 30 EHEBRN CCCOC1(C(=O)Nc2ccc(OC)cc2C#N)CCC(C)CC1 ZINC000225856891 242064913 /nfs/dbraw/zinc/06/49/13/242064913.db2.gz ZQLKNRFOPMTHAN-UHFFFAOYSA-N 0 0 330.428 3.881 40 30 EHEBRN C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cn1 ZINC000225941004 242079191 /nfs/dbraw/zinc/07/91/91/242079191.db2.gz MSAXNZYHXXQNLL-UHFFFAOYSA-N 0 0 328.799 3.970 40 30 EHEBRN C=CCOc1ccc(C(=O)Nc2cccc3[nH]c(C)nc32)cc1OC ZINC000013996140 211667365 /nfs/dbraw/zinc/66/73/65/211667365.db2.gz WNPKRGNAYSRAJL-UHFFFAOYSA-N 0 0 337.379 3.697 40 30 EHEBRN CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000013639981 211597296 /nfs/dbraw/zinc/59/72/96/211597296.db2.gz GZQFVHQPULUPMX-SFHVURJKSA-N 0 0 348.362 3.822 40 30 EHEBRN N#Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000011957767 211275941 /nfs/dbraw/zinc/27/59/41/211275941.db2.gz MUSKMHDBFDRHNS-UHFFFAOYSA-N 0 0 333.141 3.808 40 30 EHEBRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C=O ZINC000005663267 210511902 /nfs/dbraw/zinc/51/19/02/210511902.db2.gz FXJQDFFSUVVCMK-YFWFAHHUSA-N 0 0 328.452 3.903 40 30 EHEBRN COc1cc(N2CCOCC2)ccc1/C=N\c1ccccc1Cl ZINC000409228620 257873897 /nfs/dbraw/zinc/87/38/97/257873897.db2.gz BQDVYHKSGCDZGB-MOSHPQCFSA-N 0 0 330.815 3.936 40 30 EHEBRN COc1cc(OC)c([N+](=O)[O-])cc1/C=C/C(=O)c1ccc(C)cc1 ZINC000408691956 257893038 /nfs/dbraw/zinc/89/30/38/257893038.db2.gz ZVYNNQDXTTUOKV-CMDGGOBGSA-N 0 0 327.336 3.817 40 30 EHEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(Br)cc2)c1 ZINC000014359244 257858594 /nfs/dbraw/zinc/85/85/94/257858594.db2.gz BVYSNIRLAUMPDU-CXUHLZMHSA-N 0 0 335.157 3.908 40 30 EHEBRN C=C(C)COc1cccc(CN(C)Cc2[nH]nc3c2CCCC3)c1 ZINC000012147158 518618592 /nfs/dbraw/zinc/61/85/92/518618592.db2.gz YSSAHDCKDUPVSZ-UHFFFAOYSA-N 0 0 325.456 3.875 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@H](C)Oc2cccc(C)c2C)s1 ZINC000039989290 519088994 /nfs/dbraw/zinc/08/89/94/519088994.db2.gz SYQZDTQTSSEQEH-LBPRGKRZSA-N 0 0 349.481 3.839 40 30 EHEBRN COc1ccc(CN=Nc2cc(C)nc(-c3ccccc3)n2)cc1OC ZINC000005002608 523444008 /nfs/dbraw/zinc/44/40/08/523444008.db2.gz YEMZJNXOAOBQBT-FYJGNVAPSA-N 0 0 348.406 3.915 40 30 EHEBRN COc1ccc(C(=O)/C=C/c2cccc(OC)c2OC)c(OC)c1 ZINC000004363527 523540905 /nfs/dbraw/zinc/54/09/05/523540905.db2.gz YZBKPBHZMRZDAG-DHZHZOJOSA-N 0 0 328.364 3.617 40 30 EHEBRN O=C(OCc1ccccc1)N1C=CC(=O)C[C@H]1c1ccc(F)cc1 ZINC000141092297 526426584 /nfs/dbraw/zinc/42/65/84/526426584.db2.gz PURXEFOXSLWNAW-SFHVURJKSA-N 0 0 325.339 3.992 40 30 EHEBRN O=C(CO/N=C/c1cccc(F)c1)Nc1ccc(C(F)(F)F)cc1 ZINC000005472735 526904603 /nfs/dbraw/zinc/90/46/03/526904603.db2.gz WMIGJOIPPYRYAF-ZVBGSRNCSA-N 0 0 340.276 3.834 40 30 EHEBRN O=C(CO/N=C/c1ccccc1)Nc1ccc(SC(F)F)cc1 ZINC000005348459 526905604 /nfs/dbraw/zinc/90/56/04/526905604.db2.gz PUUHVBZGLBLOIA-VXLYETTFSA-N 0 0 336.363 3.991 40 30 EHEBRN S=C1N=NC(C2CCCCC2)N1N=Cc1c[nH]c2ccccc12 ZINC000000032488 563211782 /nfs/dbraw/zinc/21/17/82/563211782.db2.gz ATKTZMWHVWBYLZ-ODLFYWEKSA-N 0 0 325.441 3.978 40 30 EHEBRN COc1ccc(/C=N/c2nnc(-c3ccccc3)s2)c(OC)c1 ZINC000005513248 563536153 /nfs/dbraw/zinc/53/61/53/563536153.db2.gz QBZGREJEWXEECU-WOJGMQOQSA-N 0 0 325.393 3.973 40 30 EHEBRN COc1ccccc1/N=C1/NC(=O)/C(=C/c2cccc(F)c2)S1 ZINC000007276530 563599078 /nfs/dbraw/zinc/59/90/78/563599078.db2.gz YEFDJLYMMDMXTH-GDNBJRDFSA-N 0 0 328.368 3.726 40 30 EHEBRN CCCCCCCCCCNC(=O)C(=O)Nc1ccc(N(C)C)cc1 ZINC000408710373 563599731 /nfs/dbraw/zinc/59/97/31/563599731.db2.gz ZNPPVRLULFPHLN-UHFFFAOYSA-N 0 0 347.503 3.948 40 30 EHEBRN CCOc1ccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000013940552 563731758 /nfs/dbraw/zinc/73/17/58/563731758.db2.gz CZTBTECYXFUJLN-QNGOZBTKSA-N 0 0 343.858 3.895 40 30 EHEBRN CCN(CC)c1ccc(NN=C(C#N)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000016678531 563820606 /nfs/dbraw/zinc/82/06/06/563820606.db2.gz PNLPXRDFYHVRNZ-DYTRJAOYSA-N 0 0 337.383 3.781 40 30 EHEBRN Cc1cc(Cl)c(O)c(/C=N/c2ccccc2N2CCOCC2)c1 ZINC000032115184 563913582 /nfs/dbraw/zinc/91/35/82/563913582.db2.gz QXHQQGPESFCXDE-UDWIEESQSA-N 0 0 330.815 3.941 40 30 EHEBRN COc1cccc(C=NNc2ccc([N+](=O)[O-])cc2)c1OC(C)C ZINC000032193951 563913693 /nfs/dbraw/zinc/91/36/93/563913693.db2.gz AIHVZLXLXIVIBA-WQRHYEAKSA-N 0 0 329.356 3.837 40 30 EHEBRN CCCCOC(=O)c1ccc(NC(=O)c2ccc(C#N)cc2F)cc1 ZINC000014258281 563983783 /nfs/dbraw/zinc/98/37/83/563983783.db2.gz YRPQFVJHEHHDNC-UHFFFAOYSA-N 0 0 340.354 3.907 40 30 EHEBRN CCC(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000014257838 563983805 /nfs/dbraw/zinc/98/38/05/563983805.db2.gz ZFTHWAIWOIKKQW-JTQLQIEISA-N 0 0 349.525 3.994 40 30 EHEBRN C=CCSc1nnc(NC(=O)c2ccc(OC)c(CC=C)c2)s1 ZINC000223978327 563991705 /nfs/dbraw/zinc/99/17/05/563991705.db2.gz JNDNTVBRUGLKPM-UHFFFAOYSA-N 0 0 347.465 3.806 40 30 EHEBRN C=CCNC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2)o1 ZINC000224906243 563995203 /nfs/dbraw/zinc/99/52/03/563995203.db2.gz FPQSXIHPIPBZRO-UHFFFAOYSA-N 0 0 334.375 3.933 40 30 EHEBRN C=CCNC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000004569292 564005202 /nfs/dbraw/zinc/00/52/02/564005202.db2.gz NDWLLSLCLAMJFJ-UHFFFAOYSA-N 0 0 348.446 3.508 40 30 EHEBRN C=CCc1cc(/C=N\c2ccc3c(c2)OCO3)cc(OCC)c1O ZINC000408851485 564007658 /nfs/dbraw/zinc/00/76/58/564007658.db2.gz KOXWQXNLVFGYSC-JAIQZWGSSA-N 0 0 325.364 3.999 40 30 EHEBRN C(=N/c1ccc(N2CCOCC2)cc1)\c1ccc(N2CCCCC2)o1 ZINC000408932336 564008156 /nfs/dbraw/zinc/00/81/56/564008156.db2.gz VUCWHOWDSILCSD-LTGZKZEYSA-N 0 0 339.439 3.857 40 30 EHEBRN COc1ccc(/N=C/c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000409112617 564010078 /nfs/dbraw/zinc/01/00/78/564010078.db2.gz FOGYRBCHQGRWEV-DEDYPNTBSA-N 0 0 330.815 3.936 40 30 EHEBRN CC(C)/N=C1\S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1C(C)C ZINC000409208959 564011012 /nfs/dbraw/zinc/01/10/12/564011012.db2.gz BAJHTPUYQRHDIU-ZFCMMHTMSA-N 0 0 333.413 3.684 40 30 EHEBRN CCN(CC)c1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC#N)cc1 ZINC000005150492 564031428 /nfs/dbraw/zinc/03/14/28/564031428.db2.gz HNRZDNFXDSDREU-ACRUOGEOSA-N 0 0 341.499 3.724 40 30 EHEBRN C[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000000800766 564034465 /nfs/dbraw/zinc/03/44/65/564034465.db2.gz QLZOWLCYXXAGTF-LBPRGKRZSA-N 0 0 326.421 3.905 40 30 EHEBRN N#Cc1ccc2ccccc2c1CS(=O)(=O)CCC(F)(F)F ZINC000685939028 564036311 /nfs/dbraw/zinc/03/63/11/564036311.db2.gz ZTNMOPAAQOXJQU-UHFFFAOYSA-N 0 0 327.327 3.579 40 30 EHEBRN Cc1ccc(NN=C2c3ccccc3N(C3CSC3)C2=O)cc1C ZINC000223718624 564040677 /nfs/dbraw/zinc/04/06/77/564040677.db2.gz IWGBGLCKHHIGJK-UZYVYHOESA-N 0 0 337.448 3.582 40 30 EHEBRN CCOc1ccc(/C=N\c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 ZINC000096299739 564051281 /nfs/dbraw/zinc/05/12/81/564051281.db2.gz NLJQYEMWUZQSPD-STZFKDTASA-N 0 0 335.407 3.634 40 30 EHEBRN COc1ccc(/C=C\C(=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000005160811 564070754 /nfs/dbraw/zinc/07/07/54/564070754.db2.gz NLVWDGQCMVBWDD-YVMONPNESA-N 0 0 328.364 3.617 40 30 EHEBRN C=C(C)COc1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000219776936 564084142 /nfs/dbraw/zinc/08/41/42/564084142.db2.gz MVSHZMHOUOUVRN-UHFFFAOYSA-N 0 0 336.435 3.604 40 30 EHEBRN COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1ccccc1F ZINC000005559686 564129760 /nfs/dbraw/zinc/12/97/60/564129760.db2.gz ZRRBKNSVLQUXSR-IJAAGYKOSA-N 0 0 329.327 3.566 40 30 EHEBRN Cc1cc(C)n2nc(-c3ccc(Br)cc3)c(C#N)c2n1 ZINC000408920879 564133654 /nfs/dbraw/zinc/13/36/54/564133654.db2.gz LJABTQQNYWBRAF-UHFFFAOYSA-N 0 0 327.185 3.647 40 30 EHEBRN C[C@H]1CCCN(c2c(N)cc(C#N)n2Cc2ccc(Cl)cc2)C1 ZINC000225866143 564150856 /nfs/dbraw/zinc/15/08/56/564150856.db2.gz OGDAZCZNMKXMQA-ZDUSSCGKSA-N 0 0 328.847 3.880 40 30 EHEBRN C[C@H]1C[C@H](C)CN(c2c(N)cc(C#N)n2Cc2ccc(F)cc2)C1 ZINC000225868171 564150859 /nfs/dbraw/zinc/15/08/59/564150859.db2.gz LUSREIZEPXEFJT-KBPBESRZSA-N 0 0 326.419 3.612 40 30 EHEBRN Cc1nn(-c2ccccc2)c(C)c1C=NNc1ccc([N+](=O)[O-])cc1 ZINC000207820100 1127933194 /nfs/dbraw/zinc/93/31/94/1127933194.db2.gz WECZESWMULTIRE-UNOMPAQXSA-N 0 0 335.367 3.843 40 30 EHEBRN COc1ccccc1/C=C/c1nc(C#N)c(NCc2cccnc2)o1 ZINC000007276412 1128858562 /nfs/dbraw/zinc/85/85/62/1128858562.db2.gz UORSLEXFCDBTJR-CMDGGOBGSA-N 0 0 332.363 3.732 40 30 EHEBRN CC1(C)Cc2nc(NC=C3C(=O)CC(C)(C)CC3=O)sc2C(=O)C1 ZINC000003172041 209972570 /nfs/dbraw/zinc/97/25/70/209972570.db2.gz MXUDAFBZRVFIEB-UHFFFAOYSA-N 0 0 346.452 3.552 40 30 EHEBRN COC1=C(C(C)C)C(=O)C2=C(C1=O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@H]2O ZINC000068601926 215322211 /nfs/dbraw/zinc/32/22/11/215322211.db2.gz UNRFNEOHQPFLEL-BHVCSQLQSA-N 0 0 346.467 3.589 40 30 EHEBRN S=C(N/N=C(/c1ccccc1)c1ccccn1)Nc1ccccc1 ZINC000000254878 209505913 /nfs/dbraw/zinc/50/59/13/209505913.db2.gz PAGRYEABVYHANL-PYCFMQQDSA-N 0 0 332.432 3.821 40 30 EHEBRN CCCO[C@@]1(C(=O)Nc2ccc(OC)c(C#N)c2)CCC[C@H](C)C1 ZINC000225854415 242063534 /nfs/dbraw/zinc/06/35/34/242063534.db2.gz FMOKRCAUPWPVHN-LIRRHRJNSA-N 0 0 330.428 3.881 40 30 EHEBRN COC[C@H](C)Oc1c(N)cc(C#N)n1Cc1cccc2ccccc21 ZINC000225877749 242067877 /nfs/dbraw/zinc/06/78/77/242067877.db2.gz UFODFJQIEWPVHN-AWEZNQCLSA-N 0 0 335.407 3.557 40 30 EHEBRN COc1cccc(Oc2c(N)cc(C#N)n2Cc2ccc(F)cc2)c1 ZINC000225884140 242070633 /nfs/dbraw/zinc/07/06/33/242070633.db2.gz AVDJCUYRVHJUNF-UHFFFAOYSA-N 0 0 337.354 3.930 40 30 EHEBRN CC[C@@]1(C)NC(=O)N(N=Cc2ccc(-c3ccc(Cl)cc3)o2)C1=O ZINC000020935004 212189499 /nfs/dbraw/zinc/18/94/99/212189499.db2.gz JMUVMYMUYBVXEX-OXNWSPOFSA-N 0 0 345.786 3.654 40 30 EHEBRN NN=C1c2cc(Cl)cc(Cl)c2N=C1OC(=O)Nc1ccccc1 ZINC000017126313 211956167 /nfs/dbraw/zinc/95/61/67/211956167.db2.gz LBRDRXAISHEVSF-BKUYFWCQSA-N 0 0 349.177 3.949 40 30 EHEBRN C/C(=N/O)C1=CC[C@H]2[C@@H]3CC=C4C[C@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]12C ZINC000118914872 221203272 /nfs/dbraw/zinc/20/32/72/221203272.db2.gz XETDBTMQGVJJOY-CAXZYQQCSA-N 0 0 345.483 3.667 40 30 EHEBRN C[C@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@@](C)(O)[C@@]3(C)C[C@H]3O[C@]312 ZINC000118917880 221203558 /nfs/dbraw/zinc/20/35/58/221203558.db2.gz BAEFASBRYLYOEE-ARWQPOGFSA-N 0 0 330.468 3.647 40 30 EHEBRN C=CCc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OCC)c1O ZINC000409078416 257880696 /nfs/dbraw/zinc/88/06/96/257880696.db2.gz CPGDMUGNDPJMTD-ATVHPVEESA-N 0 0 349.386 3.864 40 30 EHEBRN C=CCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC ZINC000408706194 257892560 /nfs/dbraw/zinc/89/25/60/257892560.db2.gz WYNCRKWNEQBWNS-UHFFFAOYSA-N 0 0 326.352 3.893 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)s1 ZINC000039989291 519086869 /nfs/dbraw/zinc/08/68/69/519086869.db2.gz SYQZDTQTSSEQEH-GFCCVEGCSA-N 0 0 349.481 3.839 40 30 EHEBRN CCOC(=O)/C(=N\Nc1ccccc1Cl)N1CCCC[C@@H]1CC ZINC000003180082 520398428 /nfs/dbraw/zinc/39/84/28/520398428.db2.gz WUVXNDRYXAVHCA-GJEKEPIOSA-N 0 0 337.851 3.893 40 30 EHEBRN CCNC(=S)N=NCc1ccc(OCc2ccccc2F)cc1 ZINC000001969131 521509868 /nfs/dbraw/zinc/50/98/68/521509868.db2.gz OISZGGITTDTOGA-RGVLZGJSSA-N 0 0 331.416 3.634 40 30 EHEBRN CCc1ccc(-n2nnnc2CCN=Nc2ccc(Cl)cc2)cc1 ZINC000006555890 523869851 /nfs/dbraw/zinc/86/98/51/523869851.db2.gz LLDDZDLCHMGPDC-XDHOZWIPSA-N 0 0 340.818 3.519 40 30 EHEBRN COc1ccc(S[C@H](C)C(=O)Nc2ccc(CC#N)cc2)cc1 ZINC000020491160 525111516 /nfs/dbraw/zinc/11/15/16/525111516.db2.gz FEDXNVZFZVCYMH-CYBMUJFWSA-N 0 0 326.421 3.881 40 30 EHEBRN Cc1ccc(S(=O)(=O)O/N=C2\CCSc3ccccc32)cc1 ZINC000016974009 525621728 /nfs/dbraw/zinc/62/17/28/525621728.db2.gz WICWZTPSMWAXJA-BMRADRMJSA-N 0 0 333.434 3.600 40 30 EHEBRN Cc1nnc(N=NC[C@H]2CC=CCC2)nc1N=NC[C@@H]1CC=CCC1 ZINC000027579538 526352365 /nfs/dbraw/zinc/35/23/65/526352365.db2.gz YWKFHLLJPJHINX-KAZUJDHASA-N 0 0 339.447 3.688 40 30 EHEBRN CSC(=Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)SC ZINC000001616081 563396750 /nfs/dbraw/zinc/39/67/50/563396750.db2.gz KTVGLBHWWUQRIR-UHFFFAOYSA-N 0 0 326.428 3.827 40 30 EHEBRN Clc1ccc(N=NCCc2nnnn2-c2ccc(Cl)cc2)cc1 ZINC000005569744 563540319 /nfs/dbraw/zinc/54/03/19/563540319.db2.gz YUSUECHZYUZJJH-VCHYOVAHSA-N 0 0 347.209 3.610 40 30 EHEBRN CCO[C@H]1Oc2ccccc2C(=O)C1=CNc1ccc(C(C)=O)cc1 ZINC000006387493 563567025 /nfs/dbraw/zinc/56/70/25/563567025.db2.gz PNUKRFQQTRQSFG-PGNDWZGLSA-N 0 0 337.375 3.823 40 30 EHEBRN COc1ccc([C@H]2NC(=O)N(c3ccccc3)C(C)=C2C(C)=O)cc1 ZINC000408732269 563634937 /nfs/dbraw/zinc/63/49/37/563634937.db2.gz SZKHWUYVSWSOFV-LJQANCHMSA-N 0 0 336.391 3.829 40 30 EHEBRN CCCCCCCC(=O)N1NC2=C(CCCC2)[C@]1(O)C(F)(F)F ZINC000408751420 563641152 /nfs/dbraw/zinc/64/11/52/563641152.db2.gz OMZLULSBNBOUCI-WFASDCNBSA-N 0 0 334.382 3.986 40 30 EHEBRN FC(F)(F)[C@]1(F)OC(F)(F)[C@](F)(C(F)(F)F)OC1(F)F ZINC000060010140 563759711 /nfs/dbraw/zinc/75/97/11/563759711.db2.gz NCWPXDOVVTVZBC-LWMBPPNESA-N 0 0 332.040 3.675 40 30 EHEBRN CC(C)(C)c1cc(OC[C@@H]2CO2)c(C(C)(C)C)cc1OC[C@H]1CO1 ZINC000017315462 563842933 /nfs/dbraw/zinc/84/29/33/563842933.db2.gz IMJWYODDPLPNHC-OKILXGFUSA-N 0 0 334.456 3.837 40 30 EHEBRN NC(=S)N/N=C/c1ccc(OCc2cccc3ccccc32)cc1 ZINC000408758233 563963230 /nfs/dbraw/zinc/96/32/30/563963230.db2.gz HTFVTEBCPSGXRA-CIAFOILYSA-N 0 0 335.432 3.586 40 30 EHEBRN C=CCOc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1 ZINC000222650130 563966537 /nfs/dbraw/zinc/96/65/37/563966537.db2.gz ZKIZVEVBIKWPJL-UHFFFAOYSA-N 0 0 325.364 3.551 40 30 EHEBRN O=C(COc1cccc(/C=N/c2ccc(F)cc2)c1)N1CCCCC1 ZINC000100384230 563982588 /nfs/dbraw/zinc/98/25/88/563982588.db2.gz CBUMECDOEFIACN-HYARGMPZSA-N 0 0 340.398 3.968 40 30 EHEBRN CCNC(=S)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000006954127 563993830 /nfs/dbraw/zinc/99/38/30/563993830.db2.gz PJIMXVHMIVIZQM-AWQFTUOYSA-N 0 0 341.358 3.783 40 30 EHEBRN C=CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000224997559 563995407 /nfs/dbraw/zinc/99/54/07/563995407.db2.gz LVRZSUHWROJZBM-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN C/C(=N\NC(=S)Nc1ccccc1C(F)(F)F)c1ccncc1 ZINC000006312560 564001887 /nfs/dbraw/zinc/00/18/87/564001887.db2.gz GIBDBFPEGOWWOR-UFFVCSGVSA-N 0 0 338.358 3.811 40 30 EHEBRN COC(=O)COc1ccc(/C=N\c2ccc(OC)c(Cl)c2)cc1 ZINC000408800329 564007297 /nfs/dbraw/zinc/00/72/97/564007297.db2.gz MCERTHQPXNUQMV-GRSHGNNSSA-N 0 0 333.771 3.651 40 30 EHEBRN CC/N=C1/S/C(=C/c2ccc(OCC)cc2OCC)C(=O)N1CC ZINC000408929949 564008069 /nfs/dbraw/zinc/00/80/69/564008069.db2.gz QAYBTYMYYPTYGT-FLXQFUDPSA-N 0 0 348.468 3.796 40 30 EHEBRN Oc1ccc(/C=N/c2cccc(F)c2)cc1I ZINC000408964795 564008349 /nfs/dbraw/zinc/00/83/49/564008349.db2.gz SFSHTZSJOSRCAC-LZYBPNLTSA-N 0 0 341.123 3.887 40 30 EHEBRN COc1cc2c(cc1/C=N\c1ccc(Br)cc1)OCO2 ZINC000409072058 564009488 /nfs/dbraw/zinc/00/94/88/564009488.db2.gz AOQNGZBKTGYTDK-IUXPMGMMSA-N 0 0 334.169 3.937 40 30 EHEBRN Cc1cc(N2CCOCC2)ccc1/C=N\c1ccc(C)c([N+](=O)[O-])c1 ZINC000409108354 564010148 /nfs/dbraw/zinc/01/01/48/564010148.db2.gz WJDOOFBHRSKFEO-MOSHPQCFSA-N 0 0 339.395 3.799 40 30 EHEBRN CCCN1c2ccccc2/C(=C/c2ccc(OCC#N)c(OC)c2)C1=O ZINC000409118270 564010239 /nfs/dbraw/zinc/01/02/39/564010239.db2.gz ZJLJKLYPMJPMAX-LGMDPLHJSA-N 0 0 348.402 3.895 40 30 EHEBRN COc1cccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c1OC ZINC000409202894 564011046 /nfs/dbraw/zinc/01/10/46/564011046.db2.gz VCRVHKHUFAWJMR-PPVAIKJXSA-N 0 0 348.468 3.793 40 30 EHEBRN COc1cc(N2CCOCC2)ccc1/C=N\c1ccc(Cl)cc1 ZINC000409250816 564011325 /nfs/dbraw/zinc/01/13/25/564011325.db2.gz OASUYXIVFGDZPY-MOSHPQCFSA-N 0 0 330.815 3.936 40 30 EHEBRN Cc1cccc(NC(=O)COc2ccc(/C=N\O)cc2Cl)c1C ZINC000409266225 564011422 /nfs/dbraw/zinc/01/14/22/564011422.db2.gz PHNMGEWPXHDLJB-OCKHKDLRSA-N 0 0 332.787 3.782 40 30 EHEBRN NC(=S)N=NCc1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000006132391 564014497 /nfs/dbraw/zinc/01/44/97/564014497.db2.gz YCDXYRBUDRHLPC-UFWORHAWSA-N 0 0 337.807 3.637 40 30 EHEBRN CSc1ccc([C@H]2C3C(=O)C[C@H](C)CC3=Nc3nc(C)nn32)cc1 ZINC000014608134 564023644 /nfs/dbraw/zinc/02/36/44/564023644.db2.gz COMDLVGFFATOJH-QGHHPUGFSA-N 0 0 340.452 3.576 40 30 EHEBRN Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(CC#N)cc1 ZINC000225635253 564048754 /nfs/dbraw/zinc/04/87/54/564048754.db2.gz RMEACRLATGAIHV-HNNXBMFYSA-N 0 0 339.464 3.815 40 30 EHEBRN CCOC(=O)C(Cc1ccc2ccccc2n1)N=Nc1ccccc1 ZINC000256028204 564054528 /nfs/dbraw/zinc/05/45/28/564054528.db2.gz YKSFPQYAISELQT-NMWGTECJSA-N 0 0 333.391 3.809 40 30 EHEBRN C=C1C(=O)O[C@H]2[C@H]1C[C@@H]1O[C@@H]2[C@H](C)CCC/C(C)=C\CC[C@@]1(C)O ZINC000059364547 564065619 /nfs/dbraw/zinc/06/56/19/564065619.db2.gz RFCBIORAGZWLAM-IERXWOBESA-N 0 0 334.456 3.539 40 30 EHEBRN C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1cccc(Cl)c1)C2 ZINC000096077089 564066503 /nfs/dbraw/zinc/06/65/03/564066503.db2.gz QEOVAALVTNYMMA-IBGZPJMESA-N 0 0 346.858 3.513 40 30 EHEBRN CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000033902346 564069814 /nfs/dbraw/zinc/06/98/14/564069814.db2.gz JBVNBBXAMBZTMQ-CEGNMAFCSA-N 0 0 328.452 3.614 40 30 world EHEBRN C=C1C(=O)O[C@H]2[C@H]1C[C@@H]1O[C@@H]2[C@H](C)CCC/C(C)=C\CC[C@@]1(C)O ZINC000005395878 564070579 /nfs/dbraw/zinc/07/05/79/564070579.db2.gz RFCBIORAGZWLAM-MUXREKOWSA-N 0 0 334.456 3.539 40 30 EHEBRN O=C1Nc2cc(O)c(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1 ZINC000006524609 564070769 /nfs/dbraw/zinc/07/07/69/564070769.db2.gz GZMDZAYFVCXHFM-ZDUSSCGKSA-N 0 0 331.677 3.779 40 30 in-vitro EHEBRN CCNc1nc(Nc2ccc(NC(C)=O)cc2)cc(-c2cccnc2)n1 ZINC000329047061 564071894 /nfs/dbraw/zinc/07/18/94/564071894.db2.gz UEJNZVMCOVFNQF-UHFFFAOYSA-N 0 0 348.410 3.744 40 30 EHEBRN CC(=O)c1sc(NC(=O)Cn2ccc3ccccc32)c(C#N)c1C ZINC000000582139 564078308 /nfs/dbraw/zinc/07/83/08/564078308.db2.gz DHTXJALYGKVYBF-UHFFFAOYSA-N 0 0 337.404 3.724 40 30 EHEBRN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CC#N ZINC000253499770 564124659 /nfs/dbraw/zinc/12/46/59/564124659.db2.gz PVJTWKXCNGTZRG-QGVNFLHTSA-N 0 0 329.484 3.955 40 30 EHEBRN Cc1ccc(-c2c(C#N)c(N)ncc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000408976206 564133672 /nfs/dbraw/zinc/13/36/72/564133672.db2.gz AAJUHVZOKNIBCX-UHFFFAOYSA-N 0 0 330.347 3.916 40 30 EHEBRN CC/N=C1\S/C(=C/c2cc(Br)cs2)C(=O)N1CC ZINC000100248988 219095583 /nfs/dbraw/zinc/09/55/83/219095583.db2.gz KOHDPBVATCGFMA-QKXPFDBWSA-N 0 0 345.287 3.823 40 30 EHEBRN CC(=O)[C@H]1[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000004096193 210118431 /nfs/dbraw/zinc/11/84/31/210118431.db2.gz LOVNYFVWYTXDRE-RMWFXKKMSA-N 0 0 330.468 3.694 40 30 in-vitro EHEBRN C#CCCCCCCCCCCC[C@H](O)C[C@H](O)COC(C)=O ZINC000003978498 210096660 /nfs/dbraw/zinc/09/66/60/210096660.db2.gz JAKAZHIACKJNNB-OALUTQOASA-N 0 0 326.477 3.586 40 30 endogenous,in-man EHEBRN COC(=O)[C@H]1C(=O)C=C(c2ccccc2)C[C@H]1c1ccc(N(C)C)cc1 ZINC000068602761 215321972 /nfs/dbraw/zinc/32/19/72/215321972.db2.gz IXNYZELJOUJEOT-PZJWPPBQSA-N 0 0 349.430 3.682 40 30 EHEBRN COc1ccc(C(=O)C(C)=C(C)N)c(OCc2ccccc2)c1OC ZINC000104226889 219362702 /nfs/dbraw/zinc/36/27/02/219362702.db2.gz ZTJYWRRDHZYESF-BUHFOSPRSA-N 0 0 341.407 3.718 40 30 EHEBRN COc1ccccc1-n1nc(-c2ccc(C)cc2Cl)c(C#N)c1N ZINC000039955148 213244813 /nfs/dbraw/zinc/24/48/13/213244813.db2.gz AFXDZOZZNRWSJG-UHFFFAOYSA-N 0 0 338.798 3.964 40 30 EHEBRN C/C(=N/NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccccn1 ZINC000038544961 213213133 /nfs/dbraw/zinc/21/31/33/213213133.db2.gz YNAUYJICXVBSMW-FBHDLOMBSA-N 0 0 338.358 3.811 40 30 EHEBRN Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)c1ccc(C#N)cc1 ZINC000032609719 212817903 /nfs/dbraw/zinc/81/79/03/212817903.db2.gz NFDDFXQQXWOMMF-UHFFFAOYSA-N 0 0 348.381 3.811 40 30 EHEBRN CNC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 ZINC000030823017 212711005 /nfs/dbraw/zinc/71/10/05/212711005.db2.gz DYGQLYKGSZPTQS-GOSISDBHSA-N 0 0 337.379 3.599 40 30 EHEBRN Cc1cc(Cl)cc(/C=N/c2ccc(CN3CCOCC3)cc2)c1O ZINC000022248212 212286249 /nfs/dbraw/zinc/28/62/49/212286249.db2.gz PCQWYDYKUTUKON-CIAFOILYSA-N 0 0 344.842 3.937 40 30 EHEBRN C#CCOC(=O)c1cccc(OCc2ccc(Br)cc2)c1 ZINC000216861246 241214867 /nfs/dbraw/zinc/21/48/67/241214867.db2.gz NBKNEONFYLKCDE-UHFFFAOYSA-N 0 0 345.192 3.818 40 30 EHEBRN CCCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OC(C)=O)cc1C#N ZINC000225841385 242059156 /nfs/dbraw/zinc/05/91/56/242059156.db2.gz KTTVHTHUAOLPBA-IBGZPJMESA-N 0 0 346.427 3.653 40 30 EHEBRN Cc1cccc(Cn2c(C#N)cc(N)c2Oc2ccc3c(c2)OCO3)c1 ZINC000225886395 242071536 /nfs/dbraw/zinc/07/15/36/242071536.db2.gz RUELDPFCPBGSMB-UHFFFAOYSA-N 0 0 347.374 3.820 40 30 EHEBRN COc1ccc(-c2cc(-c3ccccc3)nc(N)c2C#N)cc1OC ZINC000019561498 212042643 /nfs/dbraw/zinc/04/26/43/212042643.db2.gz OKJMBTUNNYZOMY-UHFFFAOYSA-N 0 0 331.375 3.887 40 30 EHEBRN C=CCNc1nn(-c2ccccc2)c2c1C(=O)C[C@@H](c1ccco1)C2 ZINC000009936401 211134234 /nfs/dbraw/zinc/13/42/34/211134234.db2.gz AGZGLXPVQSNRTK-AWEZNQCLSA-N 0 0 333.391 3.976 40 30 EHEBRN CC(=O)Oc1ccccc1C(=O)O/N=C1\C[C@H]2CC[C@]1(C)C2(C)C ZINC000006318132 210618068 /nfs/dbraw/zinc/61/80/68/210618068.db2.gz IFSBDYLEDYOOOC-GBLRRJHTSA-N 0 0 329.396 3.971 40 30 EHEBRN CC=C(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OC)cc1 ZINC000004900762 210315424 /nfs/dbraw/zinc/31/54/24/210315424.db2.gz YTBLMPFISGIMKB-VKAVYKQESA-N 0 0 342.311 3.514 40 30 EHEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)CC#N ZINC000118916345 221203407 /nfs/dbraw/zinc/20/34/07/221203407.db2.gz PVJTWKXCNGTZRG-GCOKGBOCSA-N 0 0 329.484 3.955 40 30 EHEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@]2(O)CC#N ZINC000118920527 221204111 /nfs/dbraw/zinc/20/41/11/221204111.db2.gz PVJTWKXCNGTZRG-TVWVXWENSA-N 0 0 329.484 3.955 40 30 EHEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@]2(O)CC#N ZINC000118920528 221204429 /nfs/dbraw/zinc/20/44/29/221204429.db2.gz PVJTWKXCNGTZRG-OGNRNXDYSA-N 0 0 329.484 3.955 40 30 EHEBRN CCCCCCCc1nnc(SCC(=O)N(CC)CC)n1CC ZINC000408560349 257897370 /nfs/dbraw/zinc/89/73/70/257897370.db2.gz GXJOKMSWYOUCOC-UHFFFAOYSA-N 0 0 340.537 3.771 40 30 EHEBRN C=C(C)COc1cccc(C(=O)NCCOc2ccc(C)cc2)c1 ZINC000219786921 533518259 /nfs/dbraw/zinc/51/82/59/533518259.db2.gz WAFANKHPNQNCJA-UHFFFAOYSA-N 0 0 325.408 3.759 40 30 EHEBRN C=CCOc1ccc(NC(=O)c2ccc(Cn3ccnc3)cc2)cc1 ZINC000030940606 519039581 /nfs/dbraw/zinc/03/95/81/519039581.db2.gz WXTATUBFUNADPF-UHFFFAOYSA-N 0 0 333.391 3.749 40 30 EHEBRN CCn1c(CNc2cccc(C(F)(F)F)c2)nnc1SCC#N ZINC000005585584 523197511 /nfs/dbraw/zinc/19/75/11/523197511.db2.gz WODCFTOJESBCSA-UHFFFAOYSA-N 0 0 341.362 3.545 40 30 EHEBRN C/C(=N\NC(=S)N1CCC(c2ccccc2)CC1)c1ccccn1 ZINC000005493097 563534990 /nfs/dbraw/zinc/53/49/90/563534990.db2.gz IKHIEEHKBBAQDR-RCCKNPSSSA-N 0 0 338.480 3.560 40 30 EHEBRN CCC[C@@]12C=C(OC)C(=O)C=C1O[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C ZINC000005664294 563544305 /nfs/dbraw/zinc/54/43/05/563544305.db2.gz KSGVAKCYDJGWFT-KNMUDHKVSA-N 0 0 342.391 3.906 40 30 EHEBRN CCOc1cc(C=NNc2nc3ccccc3n2CC)ccc1OC ZINC000408692663 563573955 /nfs/dbraw/zinc/57/39/55/563573955.db2.gz RURITJYVAUXBIK-DEDYPNTBSA-N 0 0 338.411 3.910 40 30 EHEBRN CC(C)C(/C=C\c1ccccc1)=N\NS(=O)(=O)c1ccccc1 ZINC000017175121 563839579 /nfs/dbraw/zinc/83/95/79/563839579.db2.gz LVUFYTGJAGZJRO-WUNLZOIISA-N 0 0 328.437 3.690 40 30 EHEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)S2)cc1 ZINC000408757587 563913333 /nfs/dbraw/zinc/91/33/33/563913333.db2.gz AKJAHFOHQRJRDR-LCYFTJDESA-N 0 0 343.364 3.642 40 30 EHEBRN Cc1ccc(C)c(NN=C2c3cc(Br)ccc3NC2=O)c1 ZINC000057663160 563935766 /nfs/dbraw/zinc/93/57/66/563935766.db2.gz ZAMPFBDZZLUDPS-UHFFFAOYSA-N 0 0 344.212 3.834 40 30 EHEBRN CCOc1ccccc1C=NN1C(=S)N=NC1C1CCCCC1 ZINC000253617013 563950411 /nfs/dbraw/zinc/95/04/11/563950411.db2.gz WDUWGGFQTQDKIU-UHFFFAOYSA-N 0 0 330.457 3.895 40 30 EHEBRN FC(F)(F)c1ccccc1[N-][NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000005163453 564005851 /nfs/dbraw/zinc/00/58/51/564005851.db2.gz BHPJGILETMCGSQ-LPYMAVHISA-N 0 0 349.356 3.988 40 30 EHEBRN COc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(C)c3C)S2)cc1 ZINC000408778293 564007248 /nfs/dbraw/zinc/00/72/48/564007248.db2.gz SDCDHIPIHHNERI-YBEGLDIGSA-N 0 0 341.436 3.542 40 30 EHEBRN CN(/N=C/c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000408891668 564007863 /nfs/dbraw/zinc/00/78/63/564007863.db2.gz ASMNDOBKSDBPLB-MHWRWJLKSA-N 0 0 334.173 3.828 40 30 EHEBRN FC(F)(F)c1ccc([N-][NH+]=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000408931106 564008096 /nfs/dbraw/zinc/00/80/96/564008096.db2.gz HHFGOKVZPAVWOY-XKZIYDEJSA-N 0 0 349.356 3.988 40 30 EHEBRN CCc1ccc(C(=O)C=CNc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000409072653 564009490 /nfs/dbraw/zinc/00/94/90/564009490.db2.gz RBNGYEWGESQWSX-ZHACJKMWSA-N 0 0 326.352 3.974 40 30 EHEBRN O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccncc1 ZINC000409285381 564011535 /nfs/dbraw/zinc/01/15/35/564011535.db2.gz VWIJQSSDXVTBIY-UHFFFAOYSA-N 0 0 332.407 3.721 40 30 EHEBRN COc1ccc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)cc1OC ZINC000033291152 564050116 /nfs/dbraw/zinc/05/01/16/564050116.db2.gz CGKQJXSKNQGLPN-ZROIWOOFSA-N 0 0 343.766 3.702 40 30 EHEBRN CCN(C[C@@H](C)C#N)C(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000096420675 564051269 /nfs/dbraw/zinc/05/12/69/564051269.db2.gz LHHAOXPCVBTLRR-IACUBPJLSA-N 0 0 340.345 3.697 40 30 EHEBRN CC[C@@H](C)NC(=O)CSc1nc2cc(C)c(C)cc2cc1C#N ZINC000034791551 564056776 /nfs/dbraw/zinc/05/67/76/564056776.db2.gz RMRWCNRVCUWVCO-CYBMUJFWSA-N 0 0 327.453 3.730 40 30 EHEBRN C=CCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)cc1 ZINC000008104559 564072194 /nfs/dbraw/zinc/07/21/94/564072194.db2.gz KTNVTEGEIZMQKJ-CQSZACIVSA-N 0 0 327.380 3.666 40 30 EHEBRN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)C[C@H](O)[C@]4(C)[C@@H]3CC[C@]12C ZINC000521205753 564089200 /nfs/dbraw/zinc/08/92/00/564089200.db2.gz AARNXMRADQFOEB-WQNFENHCSA-N 0 0 330.468 3.694 40 30 EHEBRN COc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1O ZINC000008811338 564127597 /nfs/dbraw/zinc/12/75/97/564127597.db2.gz LGAKSEKGXCJIBS-QGMBQPNBSA-N 0 0 325.195 3.831 40 30 EHEBRN C#CCOc1ccc(C(=S)N2CCCCC2)cc1Br ZINC000108021192 564128748 /nfs/dbraw/zinc/12/87/48/564128748.db2.gz ASHSCDZCQIIIAO-UHFFFAOYSA-N 0 0 338.270 3.623 40 30 EHEBRN COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1cccc(F)c1 ZINC000005559685 564129756 /nfs/dbraw/zinc/12/97/56/564129756.db2.gz DDDABDPISZGTQJ-IJAAGYKOSA-N 0 0 329.327 3.566 40 30 EHEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OC ZINC000140683429 564130014 /nfs/dbraw/zinc/13/00/14/564130014.db2.gz LLVAKOUOZJCBGV-RCCKNPSSSA-N 0 0 340.423 3.681 40 30 EHEBRN CC[C@H](C)NC(=O)CSc1nc2cc(C)cc(C)c2cc1C#N ZINC000000412227 564133191 /nfs/dbraw/zinc/13/31/91/564133191.db2.gz UMOBQQYWPOBGNN-ZDUSSCGKSA-N 0 0 327.453 3.730 40 30 EHEBRN CC[C@H](C)NC(=O)CSc1nc2c(C)c(C)ccc2cc1C#N ZINC000000413498 564133208 /nfs/dbraw/zinc/13/32/08/564133208.db2.gz JRVZSKULYVBMCV-LBPRGKRZSA-N 0 0 327.453 3.730 40 30 EHEBRN COc1cc2nnc(/C=C\C(C)=O)c(-c3ccc(C)o3)c2cc1OC ZINC000004701559 210252728 /nfs/dbraw/zinc/25/27/28/210252728.db2.gz WEHHTBYCDXOFOS-ALCCZGGFSA-N 0 0 338.363 3.818 40 30 EHEBRN C#CCCCCCCCCCCC[C@H](O)C[C@@H](O)COC(C)=O ZINC000003978497 210097908 /nfs/dbraw/zinc/09/79/08/210097908.db2.gz JAKAZHIACKJNNB-RBUKOAKNSA-N 0 0 326.477 3.586 40 30 endogenous,in-man EHEBRN COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]1(O)C=C(C(C)C)C(=O)C[C@H]12 ZINC000001599317 209764980 /nfs/dbraw/zinc/76/49/80/209764980.db2.gz HDHZYDQBOSLOST-SQEGATDGSA-N 0 0 348.483 3.668 40 30 EHEBRN C=CCn1c([C@@H](CC(C)C)NC(=O)c2cccs2)n[nH]c1=S ZINC000038536899 213213285 /nfs/dbraw/zinc/21/32/85/213213285.db2.gz OVCACJXKQIQFNX-LLVKDONJSA-N 0 0 336.486 3.705 40 30 EHEBRN Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)[C@H]2C#N)cc1 ZINC000218533306 241329903 /nfs/dbraw/zinc/32/99/03/241329903.db2.gz QXSVQYIHIIZGRS-IXDOHACOSA-N 0 0 331.824 3.728 40 30 EHEBRN Cc1ccc([C@H]2[C@H](C#N)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000218587427 241333377 /nfs/dbraw/zinc/33/33/77/241333377.db2.gz FUGFTAPNQSHIAB-ULQDDVLXSA-N 0 0 331.824 3.728 40 30 EHEBRN N#Cc1c(N)nc(SCc2ccccc2)nc1COc1ccccc1 ZINC000223680849 241677385 /nfs/dbraw/zinc/67/73/85/241677385.db2.gz RIOZDXYWERPSGG-UHFFFAOYSA-N 0 0 348.431 3.802 40 30 EHEBRN Cc1ccc(COc2nn(Cc3ccccc3C)c(N)c2C#N)cc1C ZINC000225844602 242060927 /nfs/dbraw/zinc/06/09/27/242060927.db2.gz JIZBUGJAJKDEMR-UHFFFAOYSA-N 0 0 346.434 3.890 40 30 EHEBRN CCOC(=O)c1sc(OCc2ccc(Cl)cc2)c(C#N)c1N ZINC000225850481 242063699 /nfs/dbraw/zinc/06/36/99/242063699.db2.gz KMXVLNHIRUBSDN-UHFFFAOYSA-N 0 0 336.800 3.611 40 30 EHEBRN COc1cccc(Oc2c(N)cc(C#N)n2Cc2cccc(F)c2)c1 ZINC000225884120 242069966 /nfs/dbraw/zinc/06/99/66/242069966.db2.gz KZLBGOVQEMGQSX-UHFFFAOYSA-N 0 0 337.354 3.930 40 30 EHEBRN Cc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)s1 ZINC000019791205 212067693 /nfs/dbraw/zinc/06/76/93/212067693.db2.gz RWJWQVGTKBUHNR-DEDYPNTBSA-N 0 0 327.497 3.825 40 30 EHEBRN C=CCOc1ccccc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000012204266 211320290 /nfs/dbraw/zinc/32/02/90/211320290.db2.gz TXNVFGYIGHOTEU-KRWDZBQOSA-N 0 0 329.783 3.847 40 30 EHEBRN C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)Nc1cccc(C)c1)C2 ZINC000096229943 218707435 /nfs/dbraw/zinc/70/74/35/218707435.db2.gz QGINRMMKIBEPSX-FQEVSTJZSA-N 0 0 341.455 3.560 40 30 EHEBRN N#Cc1ccccc1COc1ccc(CN=Nc2ccccn2)cc1 ZINC000408741834 257889273 /nfs/dbraw/zinc/88/92/73/257889273.db2.gz OAPIJQIJHBCDFL-OEAKJJBVSA-N 0 0 328.375 3.978 40 30 EHEBRN FC(F)(F)C(F)(F)C(F)(F)O[C@@](F)(C[C@H]1CO1)C(F)(F)F ZINC000095676998 258067320 /nfs/dbraw/zinc/06/73/20/258067320.db2.gz CSMFZPWRCMEYPI-IMJSIDKUSA-N 0 0 342.104 3.810 40 30 EHEBRN CC(N=Nc1c(F)cccc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000020076538 518463934 /nfs/dbraw/zinc/46/39/34/518463934.db2.gz KAUSLHICVSPXTC-WSDLNYQXSA-N 0 0 349.356 3.777 40 30 EHEBRN COc1cc(/C=N/OC(C)=O)ccc1OCc1ccc(Cl)cc1 ZINC000020310295 521999705 /nfs/dbraw/zinc/99/97/05/521999705.db2.gz FGOYHXHAINCLPS-VXLYETTFSA-N 0 0 333.771 3.825 40 30 EHEBRN COc1ccc(Oc2c(N)cc(C#N)n2Cc2cccc(F)c2)cc1 ZINC000225884730 536864707 /nfs/dbraw/zinc/86/47/07/536864707.db2.gz GROLKOHGQGMDJI-UHFFFAOYSA-N 0 0 337.354 3.930 40 30 EHEBRN CCOC(=O)c1ccc(/N=C/c2cc(OC)c(OC)cc2C)cc1 ZINC000408549159 563451167 /nfs/dbraw/zinc/45/11/67/563451167.db2.gz QCLYWWHJSPLQHW-UDWIEESQSA-N 0 0 327.380 3.940 40 30 EHEBRN CCCc1nc2ccccc2c(=O)n1/N=C\c1ccc(Cl)cc1 ZINC000005329377 563526897 /nfs/dbraw/zinc/52/68/97/563526897.db2.gz DQSNFGLRAFFPCN-NDENLUEZSA-N 0 0 325.799 3.885 40 30 EHEBRN COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)cc(OC)c1O ZINC000005512392 563536176 /nfs/dbraw/zinc/53/61/76/563536176.db2.gz RKPZKOMRXBLSMH-KEBDBYFISA-N 0 0 342.420 3.972 40 30 EHEBRN COc1ccc(/N=C2/NC(=O)/C(=C/c3ccccc3F)S2)cc1 ZINC000007275667 563598989 /nfs/dbraw/zinc/59/89/89/563598989.db2.gz GAYYCFYNDANGQK-GDNBJRDFSA-N 0 0 328.368 3.726 40 30 EHEBRN C=CC(=O)N1C/C(=C\c2ccccc2)C(=O)/C(=C\c2ccccc2)C1 ZINC000017195933 563840243 /nfs/dbraw/zinc/84/02/43/563840243.db2.gz FYXRGLSUYBQDPY-LRVMPXQBSA-N 0 0 329.399 3.751 40 30 EHEBRN C=CCOc1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1 ZINC000222640653 563966511 /nfs/dbraw/zinc/96/65/11/563966511.db2.gz XZHSQFQLIHJENR-UHFFFAOYSA-N 0 0 339.391 3.594 40 30 EHEBRN C=CCNC(=O)c1ccc(OCC)c(COc2cccc(OC)c2)c1 ZINC000224584621 563994438 /nfs/dbraw/zinc/99/44/38/563994438.db2.gz APYVNCGYJQDLSN-UHFFFAOYSA-N 0 0 341.407 3.589 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@@H](CC)Oc2cccc(C)c2)s1 ZINC000224914931 563995179 /nfs/dbraw/zinc/99/51/79/563995179.db2.gz ZKLCPANCDALPGD-CYBMUJFWSA-N 0 0 349.481 3.921 40 30 EHEBRN C=CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225094541 563995627 /nfs/dbraw/zinc/99/56/27/563995627.db2.gz JKPHPWDOQBJHFJ-UHFFFAOYSA-N 0 0 335.400 3.524 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)s1 ZINC000225489396 563995911 /nfs/dbraw/zinc/99/59/11/563995911.db2.gz SCTTZXQUGZMLOL-LBPRGKRZSA-N 0 0 349.481 3.839 40 30 EHEBRN CN(C)c1oc(/C=N\c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000408848161 564007563 /nfs/dbraw/zinc/00/75/63/564007563.db2.gz QJEWSRQXRNDJPI-NVNXTCNLSA-N 0 0 338.161 3.767 40 30 EHEBRN COc1cc(C)c(/C=N/N2C(=O)c3ccccc3C2=O)cc1C(C)C ZINC000408854747 564007688 /nfs/dbraw/zinc/00/76/88/564007688.db2.gz AQMLIFQBBZZIBE-SRZZPIQSSA-N 0 0 336.391 3.757 40 30 EHEBRN CC(=O)c1ccc(N=Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000409129120 564010454 /nfs/dbraw/zinc/01/04/54/564010454.db2.gz KDAPFRAWXFNYHB-FYJGNVAPSA-N 0 0 326.371 3.616 40 30 EHEBRN COc1ccc2c(c1)O[C@H](C)C/C2=N/OC(=O)c1cccc(C)c1 ZINC000409200943 564011030 /nfs/dbraw/zinc/01/10/30/564011030.db2.gz UDLKBIVVNJFTLE-PWLTZZKVSA-N 0 0 325.364 3.736 40 30 EHEBRN COc1cc(OC)c(C=C2C(=O)c3ccccc3C2=O)cc1Cl ZINC000409390520 564011991 /nfs/dbraw/zinc/01/19/91/564011991.db2.gz DTEFCHHVPAXJNO-UHFFFAOYSA-N 0 0 328.751 3.820 40 30 EHEBRN CC(C)NC(=O)COc1ccc(/C=N\c2ccc(Cl)cc2)cc1 ZINC000100087098 564012277 /nfs/dbraw/zinc/01/22/77/564012277.db2.gz RBNZIQXFNYCPSJ-JAIQZWGSSA-N 0 0 330.815 3.994 40 30 EHEBRN CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(N(C)C)o3)S2)cc1 ZINC000006134906 564014513 /nfs/dbraw/zinc/01/45/13/564014513.db2.gz IFJQVHDOCJUXIR-PTNGSMBKSA-N 0 0 341.436 3.800 40 30 EHEBRN CSc1ccc([C@@H]2C3C(=O)C[C@H](C)CC3=Nc3nc(C)nn32)cc1 ZINC000014608133 564023646 /nfs/dbraw/zinc/02/36/46/564023646.db2.gz COMDLVGFFATOJH-BMLIUANNSA-N 0 0 340.452 3.576 40 30 EHEBRN C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccccc1 ZINC000027391817 564024315 /nfs/dbraw/zinc/02/43/15/564024315.db2.gz VOVXOTYWROWXLW-CQSZACIVSA-N 0 0 340.448 3.722 40 30 EHEBRN COc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1OC ZINC000005738750 564032966 /nfs/dbraw/zinc/03/29/66/564032966.db2.gz CGJBKMRVQACZAD-DNTJNYDQSA-N 0 0 325.290 3.564 40 30 EHEBRN N#Cc1cc2cc3c(cc2nc1SCc1cccnc1)OCCO3 ZINC000001330978 564063187 /nfs/dbraw/zinc/06/31/87/564063187.db2.gz LBNMHVWPFXEBKE-UHFFFAOYSA-N 0 0 335.388 3.565 40 30 EHEBRN CNc1nc(Nc2ccc(NC(C)=O)cc2)cc(-c2ccccc2)n1 ZINC000329049032 564071906 /nfs/dbraw/zinc/07/19/06/564071906.db2.gz UMHAYYSXWZMJMP-UHFFFAOYSA-N 0 0 333.395 3.959 40 30 EHEBRN C=CCOc1ccc(C(=O)NCc2cccc(OC(C)C)c2)cc1 ZINC000113955860 564079384 /nfs/dbraw/zinc/07/93/84/564079384.db2.gz NLPQKXNBKDRAEN-UHFFFAOYSA-N 0 0 325.408 3.969 40 30 EHEBRN CC[C@H](C)Sc1nc(N)c(C#N)c(COc2ccc(C)cc2)n1 ZINC000223686592 564081782 /nfs/dbraw/zinc/08/17/82/564081782.db2.gz IRMRFBQFOZTDGQ-LBPRGKRZSA-N 0 0 328.441 3.709 40 30 EHEBRN C[C@@H]1CC(=O)C2=C(O1)O[C@]1(C)CC[C@@H]3C(C)(C)C=CC(=O)[C@]3(C)[C@@H]1C2 ZINC000252515525 564120255 /nfs/dbraw/zinc/12/02/55/564120255.db2.gz LDVSKUDVSXXLAQ-JTDFSFPFSA-N 0 0 344.451 3.953 40 30 biogenic,in-vitro EHEBRN COc1cc(C=NNc2nc3ccccc3s2)cc(Cl)c1O ZINC000007894641 564126856 /nfs/dbraw/zinc/12/68/56/564126856.db2.gz UMJHYKBAPMNMDH-CAOOACKPSA-N 0 0 333.800 3.532 40 30 EHEBRN N#Cc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000214232945 564131393 /nfs/dbraw/zinc/13/13/93/564131393.db2.gz BOAYHZQLGZYORJ-CXUHLZMHSA-N 0 0 338.363 3.934 40 30 EHEBRN CCN(CC)C(=O)CSc1nc2cc(C)cc(C)c2cc1C#N ZINC000000412219 564133178 /nfs/dbraw/zinc/13/31/78/564133178.db2.gz OWCBBWQVVNUUEK-UHFFFAOYSA-N 0 0 327.453 3.684 40 30 EHEBRN C=CCN(CC=C)C(=O)c1c(-c2ccc(Cl)cc2)noc1[C@H](C)O ZINC000225437923 564134680 /nfs/dbraw/zinc/13/46/80/564134680.db2.gz WSBXMYDXMXBMQP-LBPRGKRZSA-N 0 0 346.814 3.863 40 30 biogenic,in-vitro EHEBRN N#Cc1c(NC(=S)NC(=O)c2cccs2)sc2c1CCCC2 ZINC000003010214 564154292 /nfs/dbraw/zinc/15/42/92/564154292.db2.gz HLIMYMXUHLWTQI-UHFFFAOYSA-N 0 0 347.490 3.687 40 30 EHEBRN COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000003148118 564155495 /nfs/dbraw/zinc/15/54/95/564155495.db2.gz RATIQAQHQVZUIE-DEDYPNTBSA-N 0 0 330.815 3.936 40 30 EHEBRN CC(C)CC(=O)ON1C(=O)c2cccc3c(Cl)ccc(c32)C1=O ZINC000103625939 564177753 /nfs/dbraw/zinc/17/77/53/564177753.db2.gz CEMSYDBOWCPWQK-UHFFFAOYSA-N 0 0 331.755 3.594 40 30 EHEBRN C=CCOc1cccc(NC(=O)CCc2ccc3c(c2)OCO3)c1 ZINC000055723606 214339549 /nfs/dbraw/zinc/33/95/49/214339549.db2.gz YNAHKWVMTIJXQB-UHFFFAOYSA-N 0 0 325.364 3.551 40 30 EHEBRN CCOC(=O)[C@@H](C#N)[C@H](c1ccc(F)cc1)[C@H]1CCOC(C)(C)C1 ZINC000100760603 219106066 /nfs/dbraw/zinc/10/60/66/219106066.db2.gz RXKQWQWAWGCAQF-BHYGNILZSA-N 0 0 333.403 3.817 40 30 EHEBRN CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000003651055 210071373 /nfs/dbraw/zinc/07/13/73/210071373.db2.gz DBPWSSGDRRHUNT-SJFWLOONSA-N 0 0 330.468 3.838 40 30 EHEBRN COc1cccc(/C=N\C(=S)N[C@]2(C)[C@H]3CC[C@H](C3)C2(C)C)c1O ZINC000104191248 219357983 /nfs/dbraw/zinc/35/79/83/219357983.db2.gz UMOPYSPKKBKCED-FWEMCNLKSA-N 0 0 346.496 3.909 40 30 EHEBRN Cc1ccc([C@@H]2[C@H](C#N)[C@@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000218587349 241333159 /nfs/dbraw/zinc/33/31/59/241333159.db2.gz FUGFTAPNQSHIAB-BBWFWOEESA-N 0 0 331.824 3.728 40 30 EHEBRN CCCC[C@](C)(OCCC)C(=O)Nc1ccc(OC(C)=O)c(C#N)c1 ZINC000225846996 242060352 /nfs/dbraw/zinc/06/03/52/242060352.db2.gz KPIJJWBQZHAYIJ-IBGZPJMESA-N 0 0 346.427 3.798 40 30 EHEBRN Cc1cccc(Cn2nc(Cc3ccccc3Cl)c(C#N)c2N)c1 ZINC000225844986 242060408 /nfs/dbraw/zinc/06/04/08/242060408.db2.gz VRLQPTNMZHQHIM-UHFFFAOYSA-N 0 0 336.826 3.938 40 30 EHEBRN Cc1ccc(Cn2nc(Cc3ccc(Cl)cc3)c(C#N)c2N)cc1 ZINC000225845886 242061011 /nfs/dbraw/zinc/06/10/11/242061011.db2.gz LHJMOUQBFLBXFQ-UHFFFAOYSA-N 0 0 336.826 3.938 40 30 EHEBRN CCCOC1(C(=O)Nc2ccc(OC)c(C#N)c2)CCC(C)CC1 ZINC000225856742 242065325 /nfs/dbraw/zinc/06/53/25/242065325.db2.gz WEFCJAFIKSPQFD-UHFFFAOYSA-N 0 0 330.428 3.881 40 30 EHEBRN COc1ccc(OCCn2c(C#N)cc(N)c2CCC(C)C)cc1 ZINC000225862410 242066228 /nfs/dbraw/zinc/06/62/28/242066228.db2.gz ARTBQFVCKZWUNF-UHFFFAOYSA-N 0 0 327.428 3.618 40 30 EHEBRN COc1ccccc1[C@@H]1C(C(C)=O)C(C)=Nc2nc3ccccc3n21 ZINC000020672609 212160195 /nfs/dbraw/zinc/16/01/95/212160195.db2.gz PIGNCOINVIZIQF-LJQANCHMSA-N 0 0 333.391 3.923 40 30 EHEBRN C=CCNc1ncc(-c2ccc3c(c2)OCO3)c(-c2nccs2)n1 ZINC000012186419 211313277 /nfs/dbraw/zinc/31/32/77/211313277.db2.gz HWBLSUYVASKOMF-UHFFFAOYSA-N 0 0 338.392 3.594 40 30 EHEBRN COc1ccc(/C=C/C(=O)c2ccc(OC)cc2OC(C)=O)cc1 ZINC000004896041 210314627 /nfs/dbraw/zinc/31/46/27/210314627.db2.gz PPZFDURRDGENOS-IZZDOVSWSA-N 0 0 326.348 3.525 40 30 EHEBRN C=CCSc1nnc2c3cc(Br)ccc3n(C)c2n1 ZINC000004856404 210302407 /nfs/dbraw/zinc/30/24/07/210302407.db2.gz HSACJBRWIGEVAZ-UHFFFAOYSA-N 0 0 335.230 3.557 40 30 EHEBRN COc1ccc(/C=N/OCC(=O)OCc2cccc3ccccc32)cc1 ZINC000007780289 257898615 /nfs/dbraw/zinc/89/86/15/257898615.db2.gz QWDDWGMFXPORTI-LPYMAVHISA-N 0 0 349.386 3.942 40 30 EHEBRN OCCC[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000095677012 258067294 /nfs/dbraw/zinc/06/72/94/258067294.db2.gz UDRGWQXICZMATL-BYPYZUCNSA-N 0 0 344.120 3.794 40 30 EHEBRN C=C(C)[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C ZINC000253617444 258073430 /nfs/dbraw/zinc/07/34/30/258073430.db2.gz NJXQZDNABHJQBG-FAWMDMTCSA-N 0 0 344.495 3.796 40 30 EHEBRN C=CCSc1nnc(NC(=O)CCSc2ccccc2)s1 ZINC000016008478 519085251 /nfs/dbraw/zinc/08/52/51/519085251.db2.gz CVCHEIGVUSEYLK-UHFFFAOYSA-N 0 0 337.495 3.937 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)s1 ZINC000039989289 519086894 /nfs/dbraw/zinc/08/68/94/519086894.db2.gz GRGYPMPVMIGZNB-GFCCVEGCSA-N 0 0 349.481 3.839 40 30 EHEBRN CCCCCCCNC(=S)N/N=C/c1cc(Cl)ccc1O ZINC000001685866 520055091 /nfs/dbraw/zinc/05/50/91/520055091.db2.gz DQQVRBCHSBJXOG-WOJGMQOQSA-N 0 0 327.881 3.814 40 30 EHEBRN CCOC(=O)CC(=NNc1ccc(C)cc1[N+](=O)[O-])c1ccccc1 ZINC000016682232 520433556 /nfs/dbraw/zinc/43/35/56/520433556.db2.gz OGKCSONHYIYICW-SILNSSARSA-N 0 0 341.367 3.673 40 30 EHEBRN CC(O)=C1C(=O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1Cl ZINC000000209473 563260522 /nfs/dbraw/zinc/26/05/22/563260522.db2.gz OMGDMUOMPGYUNH-INIZCTEOSA-N 0 0 327.767 3.829 40 30 EHEBRN CCCC(=O)Nc1ccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000005950947 563555893 /nfs/dbraw/zinc/55/58/93/563555893.db2.gz IKIINRCCDNWNHU-WOJGMQOQSA-N 0 0 327.340 3.790 40 30 EHEBRN [O-]/N=C/c1cccc[n+]1Cc1ccc2ccccc2c1Br ZINC000006237928 563561906 /nfs/dbraw/zinc/56/19/06/563561906.db2.gz ISHSJDZFABFHBN-UHFFFAOYSA-O 0 0 342.216 3.746 40 30 EHEBRN CCCCCCCCCCNC(=O)C(=O)NCc1ccc(C)cc1 ZINC000408708096 563594996 /nfs/dbraw/zinc/59/49/96/563594996.db2.gz UUUJXORHCRGUNM-UHFFFAOYSA-N 0 0 332.488 3.868 40 30 EHEBRN C[C@@]12CC[C@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1Cc1c[nH]nc1N2 ZINC000008652872 563634298 /nfs/dbraw/zinc/63/42/98/563634298.db2.gz HLHKREHATSPYJP-VBYALHQYSA-N 0 0 325.456 3.868 40 30 EHEBRN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(C)c([N+](=O)[O-])c1 ZINC000408739254 563639570 /nfs/dbraw/zinc/63/95/70/563639570.db2.gz AKDGANSAODUCOO-YDDPGSGASA-N 0 0 336.351 3.644 40 30 EHEBRN CC1=NN(c2ccccc2)C(=S)C1C(=NN(C)C)c1ccccc1 ZINC000016249403 563806827 /nfs/dbraw/zinc/80/68/27/563806827.db2.gz DTNAPESWFNUDTI-UZYVYHOESA-N 0 0 336.464 3.783 40 30 EHEBRN O=[N+]([O-])c1ccc(/C=N\N=C\c2ccc(Br)cc2)cc1 ZINC000025667238 563887036 /nfs/dbraw/zinc/88/70/36/563887036.db2.gz LTOMVKJMKKOUCL-IPPJXQLGSA-N 0 0 332.157 3.810 40 30 EHEBRN CSc1ccc(C=NN2C(=S)N=NC2c2ccccc2)cc1 ZINC000253616983 563950442 /nfs/dbraw/zinc/95/04/42/563950442.db2.gz LTYYGQXXOUFRAH-UHFFFAOYSA-N 0 0 326.450 3.838 40 30 EHEBRN C=CCN(c1ccccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224763983 563994886 /nfs/dbraw/zinc/99/48/86/563994886.db2.gz DBGIIBICZJOBQA-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN C=CCOc1c(I)cc(C(C)(C)C)cc1C=O ZINC000225276602 563995779 /nfs/dbraw/zinc/99/57/79/563995779.db2.gz WCPHKSSKEWGMJW-UHFFFAOYSA-N 0 0 344.192 3.966 40 30 EHEBRN Cc1cc(N2CCCCC2)ccc1C=[NH+][N-]c1ccc([N+](=O)[O-])cn1 ZINC000408914747 564008029 /nfs/dbraw/zinc/00/80/29/564008029.db2.gz YUXIXEXKJPBALV-NDENLUEZSA-N 0 0 339.399 3.735 40 30 EHEBRN C=CCOc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408936296 564008150 /nfs/dbraw/zinc/00/81/50/564008150.db2.gz FOEWBZNBYHDGJN-BOPFTXTBSA-N 0 0 342.311 3.514 40 30 EHEBRN C=CCc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1O ZINC000409030442 564009084 /nfs/dbraw/zinc/00/90/84/564009084.db2.gz DLHKCTKIWXSXMM-YXSASFKJSA-N 0 0 344.230 3.835 40 30 EHEBRN CC(=O)c1ccc(N=Cc2ccc(OCC(=O)OC(C)C)cc2)cc1 ZINC000409188571 564010811 /nfs/dbraw/zinc/01/08/11/564010811.db2.gz DQKWCSVAMICXJW-CIAFOILYSA-N 0 0 339.391 3.970 40 30 EHEBRN Cc1cc(/C=N\c2ccccc2O)c(C)n1NC(=O)c1ccccc1 ZINC000409200858 564011027 /nfs/dbraw/zinc/01/10/27/564011027.db2.gz JSHBKSONNXROLX-BKUYFWCQSA-N 0 0 333.391 3.945 40 30 EHEBRN C=CCOc1ccc(/C=C2\SC(=S)N(CCC)C2=O)cc1OC ZINC000409343692 564011789 /nfs/dbraw/zinc/01/17/89/564011789.db2.gz FWINVSQIMPGTKC-PTNGSMBKSA-N 0 0 349.477 3.871 40 30 EHEBRN C=CCOc1c(Br)cc(Br)cc1/C=N/O ZINC000013747785 564020659 /nfs/dbraw/zinc/02/06/59/564020659.db2.gz HLFBLJNJRALNAW-AWNIVKPZSA-N 0 0 334.995 3.585 40 30 EHEBRN Cc1nc2n(n1)[C@@H](c1ccccc1Cl)C1C(=O)C[C@H](C)CC1=N2 ZINC000014164974 564021576 /nfs/dbraw/zinc/02/15/76/564021576.db2.gz YJEFMMIBAUDIRY-ABKXIKBNSA-N 0 0 328.803 3.508 40 30 EHEBRN CCc1ccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C#N)cc1 ZINC000014257837 564021741 /nfs/dbraw/zinc/02/17/41/564021741.db2.gz ANGARHCIFRRRQD-UHFFFAOYSA-N 0 0 343.477 3.926 40 30 EHEBRN Cc1nn(-c2ccccc2)c(Cl)c1CN=Nc1nc(C)cc(C)n1 ZINC000005680558 564032903 /nfs/dbraw/zinc/03/29/03/564032903.db2.gz SYWGGNVYDHVOGF-VXLYETTFSA-N 0 0 340.818 3.687 40 30 EHEBRN Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(CC#N)cc2)cc1 ZINC000225640745 564048845 /nfs/dbraw/zinc/04/88/45/564048845.db2.gz LDVFGSJFXRGYQS-HNNXBMFYSA-N 0 0 339.464 3.815 40 30 EHEBRN O=C1N=C(N/N=C\c2ccc(F)cc2)S/C1=C\c1ccc(F)cc1 ZINC000033773409 564050268 /nfs/dbraw/zinc/05/02/68/564050268.db2.gz DJUKBTCGMSHPCX-VZZYJFRKSA-N 0 0 343.358 3.559 40 30 EHEBRN C=CCN1C(=O)CCC[C@@]12CCCN(C(=O)Nc1ccccc1C)C2 ZINC000096229941 564066538 /nfs/dbraw/zinc/06/65/38/564066538.db2.gz FHYCPPORDKQYDV-FQEVSTJZSA-N 0 0 341.455 3.560 40 30 EHEBRN CC(=O)[C@]12C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]1O2 ZINC000245333731 564124170 /nfs/dbraw/zinc/12/41/70/564124170.db2.gz AEJAEAUKXCTTKY-VOVZHTNUSA-N 0 0 330.468 3.647 40 30 EHEBRN Cc1nn(C)c(C)c1/N=C/c1ccc(N(C)C)c(Br)c1 ZINC000001093691 564129763 /nfs/dbraw/zinc/12/97/63/564129763.db2.gz DIJIWOSVHKSZOG-RQZCQDPDSA-N 0 0 335.249 3.616 40 30 EHEBRN CCNC(=S)N/N=C/c1cc(C)n(-c2cccc(Cl)c2C)c1C ZINC000033652838 564129908 /nfs/dbraw/zinc/12/99/08/564129908.db2.gz ZGVGZCJOBFPKTA-KEBDBYFISA-N 0 0 348.903 3.874 40 30 EHEBRN COc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OC(C)C ZINC000408980855 564133667 /nfs/dbraw/zinc/13/36/67/564133667.db2.gz TWORKHGDDWHAIA-UHFFFAOYSA-N 0 0 337.423 3.707 40 30 EHEBRN N#Cc1nn(-c2ccccc2C(F)(F)F)nc1N1CCCCCC1 ZINC000256047743 564134717 /nfs/dbraw/zinc/13/47/17/564134717.db2.gz OIMAHRRRGYBKCV-UHFFFAOYSA-N 0 0 335.333 3.538 40 30 EHEBRN N#C[C@H]1[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 ZINC000218651867 564160563 /nfs/dbraw/zinc/16/05/63/564160563.db2.gz RWSGWXTVJVYKEN-OAGGEKHMSA-N 0 0 335.787 3.559 40 30 EHEBRN COc1ccc(-c2csc(C(C#N)=NNc3ccncc3)n2)cc1 ZINC000004706627 210254264 /nfs/dbraw/zinc/25/42/64/210254264.db2.gz ZFNZNBXMWFJHTO-JCMHNJIXSA-N 0 0 335.392 3.553 40 30 EHEBRN COc1ccccc1N=CC(=CNc1ccccc1OC)[N+](=O)[O-] ZINC000100716471 219105183 /nfs/dbraw/zinc/10/51/83/219105183.db2.gz XWGBSDHUNXYYCY-XNCYGOCXSA-N 0 0 327.340 3.636 40 30 EHEBRN O=C1c2ccccc2N/C1=C1/Nc2cc(Br)ccc2C1=O ZINC000004293427 210162023 /nfs/dbraw/zinc/16/20/23/210162023.db2.gz PMUIAXBFQHYSSX-BUHFOSPRSA-N 0 0 341.164 3.577 40 30 EHEBRN C[C@@]1([C@H]2CC[C@H]3[C@@H]4C[C@H](O)[C@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)CO1 ZINC000004025041 210101491 /nfs/dbraw/zinc/10/14/91/210101491.db2.gz ZQSQEUPUOWBSRX-AUAIVPBLSA-N 0 0 348.527 3.766 40 30 EHEBRN CCOc1cc2c(cc1O)/C(=N\O)C[C@@H]1[C@H]3CC[C@H](O)[C@]3(C)CC[C@H]21 ZINC000102846001 219235211 /nfs/dbraw/zinc/23/52/11/219235211.db2.gz SMKGGPJGMFBQDP-FVIZNDIWSA-N 0 0 345.439 3.644 40 30 EHEBRN C=CCN1c2ccccc2C(=NN=c2[nH]c3ccccc3s2)C1=O ZINC000102984972 219245905 /nfs/dbraw/zinc/24/59/05/219245905.db2.gz MZXZLRLIGMJTQU-CAPFRKAQSA-N 0 0 334.404 3.645 40 30 EHEBRN N#Cc1c(N)n(-c2cc(C(F)(F)F)ccn2)nc1-c1ccccc1F ZINC000039955018 213244767 /nfs/dbraw/zinc/24/47/67/213244767.db2.gz KOYARZJASYICBY-UHFFFAOYSA-N 0 0 347.275 3.546 40 30 EHEBRN Cc1nnc(-c2ccccc2)c(=O)n1/N=C/c1ccc(C(C)C)cc1 ZINC000001438349 209748732 /nfs/dbraw/zinc/74/87/32/209748732.db2.gz MLPJHRDIWGPXFB-FYJGNVAPSA-N 0 0 332.407 3.619 40 30 EHEBRN Cc1ccccc1NC(=NC(=S)N1CCOCC1)c1ccccc1 ZINC000033936658 212971509 /nfs/dbraw/zinc/97/15/09/212971509.db2.gz CSEOVWBLHSFZAC-UHFFFAOYSA-N 0 0 339.464 3.691 40 30 EHEBRN CSc1nc(N)nc(SCc2c(F)cccc2Cl)c1C#N ZINC000000050137 209390243 /nfs/dbraw/zinc/39/02/43/209390243.db2.gz UDTZKHUYJYMNBP-UHFFFAOYSA-N 0 0 340.836 3.737 40 30 EHEBRN C=CCN(c1c(C)cccc1C)S(=O)(=O)c1ccc(OC)c(F)c1 ZINC000225095695 241794357 /nfs/dbraw/zinc/79/43/57/241794357.db2.gz HXQHVRRHJPSDOM-UHFFFAOYSA-N 0 0 349.427 3.832 40 30 EHEBRN Cc1ccc(Cc2c(N)cc(C#N)n2CCOc2ccccc2)cc1 ZINC000225861461 242065009 /nfs/dbraw/zinc/06/50/09/242065009.db2.gz WVEYFEQHDDIJPG-UHFFFAOYSA-N 0 0 331.419 3.920 40 30 EHEBRN CC(C)c1nn2c(nnc(C#N)c2N)c1-c1cccc2ccccc21 ZINC000020636182 212158916 /nfs/dbraw/zinc/15/89/16/212158916.db2.gz MSVBOCNDIYHQJS-UHFFFAOYSA-N 0 0 328.379 3.522 40 30 EHEBRN CCCc1nn2c(ncc(C#N)c2N)c1-c1cccc2ccccc21 ZINC000020636036 212158512 /nfs/dbraw/zinc/15/85/12/212158512.db2.gz CVPQQAZAWMYEGX-UHFFFAOYSA-N 0 0 327.391 3.956 40 30 EHEBRN C=CCN1[C@@H]2CC[C@H]1Cc1c2cnc2cc(-c3ccc(OC)cc3)nn21 ZINC000019558156 212042744 /nfs/dbraw/zinc/04/27/44/212042744.db2.gz PTUMBEICHPMIGK-HNAYVOBHSA-N 0 0 346.434 3.653 40 30 EHEBRN C=CCNc1nn(-c2ccccc2)c2c1C(=O)C[C@H](c1ccco1)C2 ZINC000009936408 211135254 /nfs/dbraw/zinc/13/52/54/211135254.db2.gz AGZGLXPVQSNRTK-CQSZACIVSA-N 0 0 333.391 3.976 40 30 EHEBRN C=CCOc1ccc2c(c1)CC[C@@H]1[C@@H]3CC(=O)[C@H](O)[C@@]3(C)CC[C@H]21 ZINC000006417222 210630771 /nfs/dbraw/zinc/63/07/71/210630771.db2.gz UPMXTBWCFFZRCM-JOTVOLILSA-N 0 0 326.436 3.647 40 30 EHEBRN CCC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C)cc1O ZINC000005482120 210473478 /nfs/dbraw/zinc/47/34/78/210473478.db2.gz RCBOWXMYPMMLQH-GHRIWEEISA-N 0 0 344.327 3.743 40 30 EHEBRN CC1=CC[C@@H](CN=Nc2nnc3c4ccccc4n(C)c3n2)[C@H](C)C1 ZINC000005394008 210456661 /nfs/dbraw/zinc/45/66/61/210456661.db2.gz DUXNNMLOOZGYBR-NRGQBJHJSA-N 0 0 334.427 3.907 40 30 EHEBRN O=C(/C=C/c1ccc(OC2CSC2)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000004851639 210300187 /nfs/dbraw/zinc/30/01/87/210300187.db2.gz WNZPESQWOXQHME-XCVCLJGOSA-N 0 0 341.388 3.985 40 30 EHEBRN C/N=C1/S/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1C ZINC000408929612 257886117 /nfs/dbraw/zinc/88/61/17/257886117.db2.gz LQMGJUFCQULWII-KFBYJWCXSA-N 0 0 338.432 3.798 40 30 EHEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(O)cc3O)S2)cc1 ZINC000408754933 257889168 /nfs/dbraw/zinc/88/91/68/257889168.db2.gz LVJGJQPJUPBSRQ-SXGWCWSVSA-N 0 0 340.404 3.552 40 30 EHEBRN CCOc1cc(/C=N/NCc2ccccc2OC)cc(Cl)c1OC ZINC000020763282 257855790 /nfs/dbraw/zinc/85/57/90/257855790.db2.gz HGZRZMKUQMYRKS-RGVLZGJSSA-N 0 0 348.830 3.880 40 30 EHEBRN C=CCOc1ccc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)cc1 ZINC000008104548 257863858 /nfs/dbraw/zinc/86/38/58/257863858.db2.gz KTNVTEGEIZMQKJ-AWEZNQCLSA-N 0 0 327.380 3.666 40 30 EHEBRN C=CCc1cc(C(=O)NCCCc2ccc(F)cc2)ccc1OC ZINC000218655681 534408859 /nfs/dbraw/zinc/40/88/59/534408859.db2.gz OFFOJSUCYBPBHE-UHFFFAOYSA-N 0 0 327.399 3.925 40 30 EHEBRN CC/C(=N\NC(=S)NC1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000021555212 520179431 /nfs/dbraw/zinc/17/94/31/520179431.db2.gz WMLRUYDPZQICEO-HMMYKYKNSA-N 0 0 349.500 3.615 40 30 EHEBRN CCOc1ccc(CN=Nc2ncc(-c3ccccc3)cn2)c(O)c1 ZINC000004713181 520854293 /nfs/dbraw/zinc/85/42/93/520854293.db2.gz CPFHAEHEXQQSAC-LPYMAVHISA-N 0 0 334.379 3.694 40 30 EHEBRN CCS[C@H]1C=C(c2ccc(Br)cc2)OC(=O)[C@H]1C#N ZINC000016693624 563820689 /nfs/dbraw/zinc/82/06/89/563820689.db2.gz AGSWPIANMQNOJV-AAEUAGOBSA-N 0 0 338.226 3.608 40 30 EHEBRN C=CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(CC)c2)c1 ZINC000223686300 563986148 /nfs/dbraw/zinc/98/61/48/563986148.db2.gz QJRMLOUXDJKMTO-UHFFFAOYSA-N 0 0 347.436 3.623 40 30 EHEBRN C=CCc1cc(C(=O)NCCOc2ccc(CC)cc2)ccc1OC ZINC000224126697 563992619 /nfs/dbraw/zinc/99/26/19/563992619.db2.gz RIAZAQQUOIJOAQ-UHFFFAOYSA-N 0 0 339.435 3.795 40 30 EHEBRN C=CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224742690 563994848 /nfs/dbraw/zinc/99/48/48/563994848.db2.gz PRWHPWRJENKSFK-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN C=CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(SC)cc1 ZINC000224975941 563995297 /nfs/dbraw/zinc/99/52/97/563995297.db2.gz MTWLYVFPCCBJDY-UHFFFAOYSA-N 0 0 349.477 3.798 40 30 EHEBRN C=CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000225018661 563995448 /nfs/dbraw/zinc/99/54/48/563995448.db2.gz ONFUGIVFXPMNQR-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN C=CCN(c1cccc(C)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C ZINC000225069093 563995602 /nfs/dbraw/zinc/99/56/02/563995602.db2.gz OXQPGADIMQVHAT-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)c(OC)c1C ZINC000408930892 564008074 /nfs/dbraw/zinc/00/80/74/564008074.db2.gz DLSLAHNSBJZVSN-KGENOOAVSA-N 0 0 340.423 3.599 40 30 EHEBRN CCOc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000409033765 564009065 /nfs/dbraw/zinc/00/90/65/564009065.db2.gz LPCBEDALJIDIDB-SCDVKCJHSA-N 0 0 332.219 3.799 40 30 EHEBRN Cc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-] ZINC000409050671 564009237 /nfs/dbraw/zinc/00/92/37/564009237.db2.gz YKUGOCCEDFAEGS-IPKBDRFQSA-N 0 0 347.190 3.617 40 30 EHEBRN CC(=O)Nc1ccc(/N=C/c2ccc(N3CCOCC3)cc2C)cc1 ZINC000409101904 564009941 /nfs/dbraw/zinc/00/99/41/564009941.db2.gz ZFJBUWTVKQVULU-KGENOOAVSA-N 0 0 337.423 3.541 40 30 EHEBRN COc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCC#N ZINC000409105003 564009960 /nfs/dbraw/zinc/00/99/60/564009960.db2.gz HLCUVWZGTNCSQD-BOPFTXTBSA-N 0 0 338.388 3.683 40 30 EHEBRN COc1ccc(/N=C/c2cc(Br)c(O)c(OC)c2)cc1 ZINC000006181806 564014493 /nfs/dbraw/zinc/01/44/93/564014493.db2.gz SZNJLRPBCBZJIM-RQZCQDPDSA-N 0 0 336.185 3.923 40 30 EHEBRN CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000013639979 564020566 /nfs/dbraw/zinc/02/05/66/564020566.db2.gz GZQFVHQPULUPMX-GOSISDBHSA-N 0 0 348.362 3.822 40 30 EHEBRN C=CCc1cc(C(=O)NCCSc2ccccc2)ccc1OC ZINC000014396810 564022264 /nfs/dbraw/zinc/02/22/64/564022264.db2.gz TWQDRFQULOKYRX-UHFFFAOYSA-N 0 0 327.449 3.946 40 30 EHEBRN Cc1ccc2c(c1)C(=NNc1ccccc1C)C(=O)N2C1CSC1 ZINC000223720908 564040678 /nfs/dbraw/zinc/04/06/78/564040678.db2.gz GEFOYBLTEBRHSF-UZYVYHOESA-N 0 0 337.448 3.582 40 30 EHEBRN Cc1cc(C)cc(NN=C2c3ccccc3N(C3CSC3)C2=O)c1 ZINC000223718560 564040696 /nfs/dbraw/zinc/04/06/96/564040696.db2.gz NOWRXVTUXOINDV-UZYVYHOESA-N 0 0 337.448 3.582 40 30 EHEBRN Cc1cc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1C ZINC000096483380 564051271 /nfs/dbraw/zinc/05/12/71/564051271.db2.gz NKIFJHOYDYVPRJ-DHDCSXOGSA-N 0 0 329.400 3.673 40 30 EHEBRN CCCc1ccc(C#N)c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)n1 ZINC000261527060 564056236 /nfs/dbraw/zinc/05/62/36/564056236.db2.gz XYRKAXPHARIPIJ-KBPBESRZSA-N 0 0 331.485 3.502 40 30 EHEBRN CC(=O)[C@@]12C[C@@H]3[C@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1O2 ZINC000253481027 564124626 /nfs/dbraw/zinc/12/46/26/564124626.db2.gz AEJAEAUKXCTTKY-AXSQLCHVSA-N 0 0 330.468 3.647 40 30 EHEBRN CCOc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCC#N ZINC000006960621 564126398 /nfs/dbraw/zinc/12/63/98/564126398.db2.gz KIVCLKJQPYOIHQ-SFHVURJKSA-N 0 0 339.420 3.684 40 30 EHEBRN CC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccc(N(C)C)cc1 ZINC000107676715 564129969 /nfs/dbraw/zinc/12/99/69/564129969.db2.gz MIDCNOUBBSUTFM-HXUWFJFHSA-N 0 0 349.434 3.887 40 30 EHEBRN CC[C@@H](C)NC(=O)CSc1nc2cc(C)cc(C)c2cc1C#N ZINC000000412226 564133173 /nfs/dbraw/zinc/13/31/73/564133173.db2.gz UMOBQQYWPOBGNN-CYBMUJFWSA-N 0 0 327.453 3.730 40 30 EHEBRN COc1cccc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)c1O ZINC000408979117 564133682 /nfs/dbraw/zinc/13/36/82/564133682.db2.gz LKTRMUGVQHQDGM-UHFFFAOYSA-N 0 0 331.375 3.722 40 30 EHEBRN N#Cc1ccc2[nH]cc(CCCCN3C(=O)c4ccccc4C3=O)c2c1 ZINC000201892862 1124477567 /nfs/dbraw/zinc/47/75/67/1124477567.db2.gz QMYJJIUSKIWAJU-UHFFFAOYSA-N 0 0 343.386 3.658 40 30 EHEBRN COc1ccc(C2N=NC(=S)N2N=Cc2ccc(Cl)cc2)cc1 ZINC000004679958 210245971 /nfs/dbraw/zinc/24/59/71/210245971.db2.gz JRCOSKUIVFZTCB-ZDLGFXPLSA-N 0 0 344.827 3.778 40 30 EHEBRN Cc1nc(NN=Cc2ccccc2[N+](=O)[O-])cc(-c2ccccc2)n1 ZINC000004595541 210229591 /nfs/dbraw/zinc/22/95/91/210229591.db2.gz QWMMLLQANHZJGM-XDHOZWIPSA-N 0 0 333.351 3.806 40 30 EHEBRN COc1cc2c(cc1OC)C(=NNc1ccc(C(C)C)cc1)C(=O)N2 ZINC000066077074 215006890 /nfs/dbraw/zinc/00/68/90/215006890.db2.gz MERJDKOBLDDQCE-UHFFFAOYSA-N 0 0 339.395 3.596 40 30 EHEBRN Cn1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c2ccccc21 ZINC000103267263 219279101 /nfs/dbraw/zinc/27/91/01/219279101.db2.gz GTGHTIOCKHDIMD-UHFFFAOYSA-N 0 0 346.430 3.879 40 30 EHEBRN C=CC(=O)OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103547925 219313149 /nfs/dbraw/zinc/31/31/49/219313149.db2.gz LXCDRWZGUKTECU-UHFFFAOYSA-N 0 0 332.162 3.964 40 30 EHEBRN O/N=C(/c1ccc(O)cc1)c1ccc(/C(=N\O)c2ccc(O)cc2)cc1 ZINC000104249565 219366039 /nfs/dbraw/zinc/36/60/39/219366039.db2.gz HFDBBQVNZIQTRV-FLFKKZLDSA-N 0 0 348.358 3.551 40 30 EHEBRN O=C1C=C(Nc2cccc(Br)c2)c2ccccc2C1=O ZINC000001707101 209784385 /nfs/dbraw/zinc/78/43/85/209784385.db2.gz SYFXQNRVMLCRPZ-UHFFFAOYSA-N 0 0 328.165 3.668 40 30 EHEBRN CCOC(=O)/C(=C/c1cccc(C#N)c1)P(=O)(OCC)OCC ZINC000001625061 209769635 /nfs/dbraw/zinc/76/96/35/209769635.db2.gz URGDBDXCGVUMFR-PTNGSMBKSA-N 0 0 337.312 3.728 40 30 EHEBRN CC(C)(C)OC(=O)N1CCC(Oc2ccc(C#N)c(Cl)c2)CC1 ZINC000039954291 213245091 /nfs/dbraw/zinc/24/50/91/213245091.db2.gz OGVZCHHXFVISLG-UHFFFAOYSA-N 0 0 336.819 3.990 40 30 EHEBRN COc1cccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)c1 ZINC000000780216 209686284 /nfs/dbraw/zinc/68/62/84/209686284.db2.gz PSZZZIAFWKZXMB-UHFFFAOYSA-N 0 0 337.419 3.738 40 30 EHEBRN C=CCOc1ccc(/C=C2/N=C(c3ccc(OCC)cc3)OC2=O)cc1 ZINC000212809661 241093000 /nfs/dbraw/zinc/09/30/00/241093000.db2.gz LAVARTXKVCIRIO-XMHGGMMESA-N 0 0 349.386 3.995 40 30 EHEBRN CCc1ccc2c(c1)C(=NNc1ccccc1)C(=O)N2C1CSC1 ZINC000223724044 241685944 /nfs/dbraw/zinc/68/59/44/241685944.db2.gz SYWKETDPMKHFIS-UZYVYHOESA-N 0 0 337.448 3.527 40 30 EHEBRN C=CCSc1nnc(NC(=O)c2ccccc2OC(C)C)s1 ZINC000225234140 241812263 /nfs/dbraw/zinc/81/22/63/241812263.db2.gz UBFNVQFIVBRTCL-UHFFFAOYSA-N 0 0 335.454 3.856 40 30 EHEBRN COc1ccc([C@@H](C)NC(=S)Nc2ccc(CC#N)cc2)cc1 ZINC000225463434 241875868 /nfs/dbraw/zinc/87/58/68/241875868.db2.gz RUGZBCUWJWGDJC-CYBMUJFWSA-N 0 0 325.437 3.809 40 30 EHEBRN N#Cc1c(N)n(Cc2ccc(Cl)c(Cl)c2)nc1C(F)(F)F ZINC000225846711 242061403 /nfs/dbraw/zinc/06/14/03/242061403.db2.gz PYXZIMUEGAUDJC-UHFFFAOYSA-N 0 0 335.116 3.711 40 30 EHEBRN CCOC(=O)c1sc(OCc2ccc(C)c(C)c2)c(C#N)c1N ZINC000225850557 242062826 /nfs/dbraw/zinc/06/28/26/242062826.db2.gz NYUKBVSFNKEBEH-UHFFFAOYSA-N 0 0 330.409 3.575 40 30 EHEBRN CCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)c(C#N)c1 ZINC000225858552 242065334 /nfs/dbraw/zinc/06/53/34/242065334.db2.gz RMENINUHUWADBP-LJQANCHMSA-N 0 0 330.428 3.881 40 30 EHEBRN C=CCOC(=O)/C=C/c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000226257651 242092534 /nfs/dbraw/zinc/09/25/34/242092534.db2.gz GBHHWWOVSRKEFS-RMKNXTFCSA-N 0 0 329.308 3.606 40 30 EHEBRN C#CCOC(=O)/C=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000226256262 242093356 /nfs/dbraw/zinc/09/33/56/242093356.db2.gz QRUTVJLCGPZIOQ-CSKARUKUSA-N 0 0 331.165 3.899 40 30 EHEBRN O=C(/C=C1\C(=O)Nc2ccc(Br)cc21)c1ccccc1 ZINC000018101382 211982160 /nfs/dbraw/zinc/98/21/60/211982160.db2.gz AZHMGLXVLSUTGY-LCYFTJDESA-N 0 0 328.165 3.668 40 30 EHEBRN CCNC(=S)NN=Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000012488751 211393036 /nfs/dbraw/zinc/39/30/36/211393036.db2.gz ZLCZLOPVTKAENK-GRSHGNNSSA-N 0 0 334.876 3.977 40 30 EHEBRN CC(=O)CC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000006317835 210618280 /nfs/dbraw/zinc/61/82/80/210618280.db2.gz HYGRDEFGWLIBHF-MRXNPFEDSA-N 0 0 326.783 3.913 40 30 EHEBRN CC(=O)CC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000006317833 210617816 /nfs/dbraw/zinc/61/78/16/210617816.db2.gz HYGRDEFGWLIBHF-INIZCTEOSA-N 0 0 326.783 3.913 40 30 EHEBRN CC1(C)CC(=O)C(=CC(=O)c2ccccc2)C(NNc2ccncc2)C1 ZINC000005389585 210454375 /nfs/dbraw/zinc/45/43/75/210454375.db2.gz GLTNWNDCDLFOKZ-UHFFFAOYSA-N 0 0 349.434 3.914 40 30 EHEBRN C=C(C)COc1c(/C=C2\N=C(c3ccccc3)OC2=O)cccc1OC ZINC000005000802 210355285 /nfs/dbraw/zinc/35/52/85/210355285.db2.gz YTGDSRYNUKTDQA-ATVHPVEESA-N 0 0 349.386 3.995 40 30 EHEBRN C[C@@H]1C[C@H]2[C@@H]3CC[C@](C)(O)[C@@]3(C)CC(=O)[C@]2(F)[C@@]2(C)CCC(=O)C=C12 ZINC000118930678 221205360 /nfs/dbraw/zinc/20/53/60/221205360.db2.gz ROEQORMRPIEYSE-HCJRYFQISA-N 0 0 348.458 3.786 40 30 EHEBRN CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@]45O[C@H]4C(=O)CC[C@]5(C)[C@H]3CC[C@]12C ZINC000118936553 221206188 /nfs/dbraw/zinc/20/61/88/221206188.db2.gz ZVCXCQZLHLJONJ-ZWAVLLFOSA-N 0 0 346.467 3.661 40 30 EHEBRN Cc1cc(/C=N\c2cccc(I)c2)c(C)n1C ZINC000408779404 257888648 /nfs/dbraw/zinc/88/86/48/257888648.db2.gz WIGSJBRWARTPFN-SXGWCWSVSA-N 0 0 338.192 3.997 40 30 EHEBRN C=CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000224997372 257899713 /nfs/dbraw/zinc/89/97/13/257899713.db2.gz UQLYJEFTQYPLJJ-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN CCCCOc1ccc(/C=N\NC(=S)NCc2ccccc2)cc1 ZINC000033371645 257855366 /nfs/dbraw/zinc/85/53/66/257855366.db2.gz GQLNOWCCPLOWBA-QNGOZBTKSA-N 0 0 341.480 3.864 40 30 EHEBRN CCCCCCCCC[C@]1(CC(=O)OCC)SCCN1C(N)=O ZINC000095568741 257914288 /nfs/dbraw/zinc/91/42/88/257914288.db2.gz USSKBHSBNANHLK-QGZVFWFLSA-N 0 0 344.521 3.904 40 30 EHEBRN C=CCNC(=O)c1ccc(OC)c(COc2cccc(Cl)c2)c1 ZINC000224142119 518936250 /nfs/dbraw/zinc/93/62/50/518936250.db2.gz YHQAQAIJMLRQBH-UHFFFAOYSA-N 0 0 331.799 3.843 40 30 EHEBRN C=CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccccc3F)oc21 ZINC000073641846 518976872 /nfs/dbraw/zinc/97/68/72/518976872.db2.gz YRLMZYJIFICMIR-UHFFFAOYSA-N 0 0 342.282 3.885 40 30 EHEBRN C=CCOc1cccc(NC(=O)c2cccc(N3CCCC3=O)c2)c1 ZINC000055723325 519057175 /nfs/dbraw/zinc/05/71/75/519057175.db2.gz XVSJIBNORUBCBO-UHFFFAOYSA-N 0 0 336.391 3.631 40 30 EHEBRN C=CCSc1nnc(NC(=O)CSc2ccc(C)cc2)s1 ZINC000016008101 519086560 /nfs/dbraw/zinc/08/65/60/519086560.db2.gz YHPBIFYZCHOWDX-UHFFFAOYSA-N 0 0 337.495 3.855 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@H](C)Oc2ccc(C)cc2)s1 ZINC000016007993 519088934 /nfs/dbraw/zinc/08/89/34/519088934.db2.gz RJJHEQGEMNGSQV-NSHDSACASA-N 0 0 335.454 3.531 40 30 EHEBRN CCN(C[C@@H](C)C#N)C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000096420677 521186370 /nfs/dbraw/zinc/18/63/70/521186370.db2.gz LHHAOXPCVBTLRR-YUTCNCBUSA-N 0 0 340.345 3.697 40 30 EHEBRN COc1ccc(CC(C#N)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000001688207 523914388 /nfs/dbraw/zinc/91/43/88/523914388.db2.gz QPVRUKDYEFHTEX-UHFFFAOYSA-N 0 0 341.407 3.646 40 30 EHEBRN CCO[C@@](C)(C(=O)Nc1ccc(OCC(C)C)cc1C#N)C1CC1 ZINC000225836803 535544529 /nfs/dbraw/zinc/54/45/29/535544529.db2.gz PLZOBEQCGAEAHG-LJQANCHMSA-N 0 0 330.428 3.737 40 30 EHEBRN CCN(CC)c1ccc(/C=N/OCc2ccccc2C#N)c(OC)c1 ZINC000408589310 563486637 /nfs/dbraw/zinc/48/66/37/563486637.db2.gz DQYJJYOCAAFCBQ-HYARGMPZSA-N 0 0 337.423 3.964 40 30 EHEBRN Cc1nc2sc3c(c2c(=O)n1/N=C/c1cccc(F)c1)CCCC3 ZINC000408719515 563616258 /nfs/dbraw/zinc/61/62/58/563616258.db2.gz RGQLWDBVQGQWKS-KEBDBYFISA-N 0 0 341.411 3.667 40 30 EHEBRN Cc1c(/C=N/c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000016249064 563806798 /nfs/dbraw/zinc/80/67/98/563806798.db2.gz LOGSVSVPZTYIDN-UDWIEESQSA-N 0 0 325.799 3.888 40 30 EHEBRN O=C1C(=O)N(c2ccccc2)[C@@H](c2ccc(F)cc2)C1=C(O)C1CC1 ZINC000016839826 563824849 /nfs/dbraw/zinc/82/48/49/563824849.db2.gz QGPWFSPUAQBAMF-KRWDZBQOSA-N 0 0 337.350 3.705 40 30 EHEBRN C=CCOc1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 ZINC000223639477 563983731 /nfs/dbraw/zinc/98/37/31/563983731.db2.gz BUMJZUUZIGOQKH-UHFFFAOYSA-N 0 0 331.437 3.977 40 30 EHEBRN C=CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(CC)c2)cc1 ZINC000223686220 563986199 /nfs/dbraw/zinc/98/61/99/563986199.db2.gz WZBPGPSFBGIIOF-UHFFFAOYSA-N 0 0 347.436 3.623 40 30 EHEBRN C/C(=N\OCc1coc(-c2ccccc2Cl)n1)c1cnn(C)c1 ZINC000096402770 564002118 /nfs/dbraw/zinc/00/21/18/564002118.db2.gz JIABDPLRCDHRRF-RGVLZGJSSA-N 0 0 330.775 3.669 40 30 EHEBRN C#CCOc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1Cl ZINC000409004492 564008844 /nfs/dbraw/zinc/00/88/44/564008844.db2.gz BGLLPELBAZRYCE-LCYFTJDESA-N 0 0 337.853 3.573 40 30 EHEBRN CC(C)OC(=O)COc1ccc(/C=N\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409189035 564010897 /nfs/dbraw/zinc/01/08/97/564010897.db2.gz HNLWDDZINDYIOP-ODLFYWEKSA-N 0 0 342.351 3.676 40 30 EHEBRN O=C(COc1ccc(/C=N\O)cc1Cl)Nc1ccccc1Cl ZINC000409270874 564011453 /nfs/dbraw/zinc/01/14/53/564011453.db2.gz IKZKJQHFHILROV-LSCVHKIXSA-N 0 0 339.178 3.819 40 30 EHEBRN Cc1ccoc1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000409403167 564012046 /nfs/dbraw/zinc/01/20/46/564012046.db2.gz HAYLIZIGEBXLLX-UHFFFAOYSA-N 0 0 329.359 3.847 40 30 EHEBRN CC/N=C1/S/C(=C/c2cc(Br)cs2)C(=O)N1CC ZINC000006378021 564014677 /nfs/dbraw/zinc/01/46/77/564014677.db2.gz KOHDPBVATCGFMA-LYZYBJJASA-N 0 0 345.287 3.823 40 30 EHEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OC(C)C ZINC000021326928 564033803 /nfs/dbraw/zinc/03/38/03/564033803.db2.gz MFBNBYZJJABMKU-YBFXNURJSA-N 0 0 344.367 3.941 40 30 EHEBRN COc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1O ZINC000059193837 564050484 /nfs/dbraw/zinc/05/04/84/564050484.db2.gz ZELXESUMEIGKAT-YBFXNURJSA-N 0 0 339.420 3.701 40 30 EHEBRN O=C1Nc2c(O)cc(Cl)cc2[C@@](C#CC2CC2)(C(F)(F)F)O1 ZINC000006524414 564070784 /nfs/dbraw/zinc/07/07/84/564070784.db2.gz OOVOMPCQLMFEDT-ZDUSSCGKSA-N 0 0 331.677 3.779 40 30 in-vitro EHEBRN Cc1ccc(/C=N/N=C2\NC(=O)/C(=C/c3ccc(C)cc3)S2)cc1 ZINC000059639512 564128599 /nfs/dbraw/zinc/12/85/99/564128599.db2.gz YUDOSCFDVVAFBU-XAJBPTSZSA-N 0 0 335.432 3.897 40 30 EHEBRN COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C ZINC000109033986 564133462 /nfs/dbraw/zinc/13/34/62/564133462.db2.gz HYTMBMKVNRHTFC-VYDXJSESSA-N 0 0 344.455 3.667 40 30 EHEBRN CCc1ccccc1-n1nc(C#N)c(N2CC[C@@H](c3ccccc3)C2)n1 ZINC000256046172 564134689 /nfs/dbraw/zinc/13/46/89/564134689.db2.gz DHCSSMTVGKGQSX-GOSISDBHSA-N 0 0 343.434 3.695 40 30 EHEBRN CC(=O)Oc1ccc(NC(=O)C2(c3ccccc3)CCCC2)cc1C#N ZINC000225676384 564146716 /nfs/dbraw/zinc/14/67/16/564146716.db2.gz ICPGWUDUSGIPEJ-UHFFFAOYSA-N 0 0 348.402 3.934 40 30 EHEBRN CC=CC(=O)[C@H](C(=O)OC(C)(C)C)[C@H](c1ccccc1)[C@H](C)[N+](=O)[O-] ZINC000254734555 1125329133 /nfs/dbraw/zinc/32/91/33/1125329133.db2.gz HTQLNQIWJBMCJJ-UMWJDURCSA-N 0 0 347.411 3.539 40 30 EHEBRN C=CCO/N=C(\CCC)C1=C(NC(=O)CCC)CC(C)(C)CC1=O ZINC000055125380 214276701 /nfs/dbraw/zinc/27/67/01/214276701.db2.gz JEAULHQBYQAXDF-KGENOOAVSA-N 0 0 334.460 3.905 40 30 EHEBRN CCCCCCCc1c(C)n2c(cc(=O)n2-c2ccccc2)[nH]c1=O ZINC000100416602 219098383 /nfs/dbraw/zinc/09/83/83/219098383.db2.gz YGPNYASKXGSQBJ-UHFFFAOYSA-N 0 0 339.439 3.600 40 30 EHEBRN C=CCC[C@]12O[C@H](C=C1C)C(Cl)(Cl)C(=O)C2(Cl)Cl ZINC000003851859 210080150 /nfs/dbraw/zinc/08/01/50/210080150.db2.gz XYVHULQKIYPAMT-SCZZXKLOSA-N 0 0 330.038 3.967 40 30 EHEBRN CCCCCCCC(=NNc1nc(C)cc(=O)[nH]1)c1ccc(O)cc1 ZINC000102933641 219242336 /nfs/dbraw/zinc/24/23/36/219242336.db2.gz GXUJXYGRSDWILG-XLNRJJMWSA-N 0 0 342.443 3.961 40 30 EHEBRN C=CCN1C(=O)SC(=CNc2cccc(C(F)(F)F)c2)C1=O ZINC000036636241 213106546 /nfs/dbraw/zinc/10/65/46/213106546.db2.gz ZSPPEQQNOZOYSR-FLIBITNWSA-N 0 0 328.315 3.840 40 30 EHEBRN Oc1ccc(Cl)cc1/C=N/c1ccc(CN2CCOCC2)cc1 ZINC000022241473 212284940 /nfs/dbraw/zinc/28/49/40/212284940.db2.gz DBFTUYUCIGOVJL-UDWIEESQSA-N 0 0 330.815 3.628 40 30 EHEBRN N#Cc1c(N)n(Cc2ccc(Cl)cc2)nc1Cc1ccccc1F ZINC000225840296 242058433 /nfs/dbraw/zinc/05/84/33/242058433.db2.gz HIVSRYDIITTYGR-UHFFFAOYSA-N 0 0 340.789 3.769 40 30 EHEBRN N#CCc1ccc(NC(=S)NC2(c3ccncc3)CCCC2)cc1 ZINC000225853166 242063476 /nfs/dbraw/zinc/06/34/76/242063476.db2.gz DFVAKMRHYIJIPR-UHFFFAOYSA-N 0 0 336.464 3.904 40 30 EHEBRN COC[C@@H](C)Oc1c(N)cc(C#N)n1Cc1cccc2ccccc21 ZINC000225877731 242067920 /nfs/dbraw/zinc/06/79/20/242067920.db2.gz UFODFJQIEWPVHN-CQSZACIVSA-N 0 0 335.407 3.557 40 30 EHEBRN COc1ccc2c(c1)O[C@H](C)C/C2=N\OC(=O)c1ccccc1F ZINC000021006062 212199301 /nfs/dbraw/zinc/19/93/01/212199301.db2.gz ZRRBKNSVLQUXSR-BOZGJOGLSA-N 0 0 329.327 3.566 40 30 EHEBRN C=C1C(C)(C)[C@H]2CC[C@]1(C(=O)N1CCCN(c3ccccn3)CC1)C2 ZINC000019460735 212029668 /nfs/dbraw/zinc/02/96/68/212029668.db2.gz BUDOJGMQMYTKOY-UWJYYQICSA-N 0 0 339.483 3.503 40 30 EHEBRN CC(=O)[C@]12O[C@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000118913201 221202771 /nfs/dbraw/zinc/20/27/71/221202771.db2.gz LHNVKVKZPHUYQO-MQWPULPWSA-N 0 0 328.452 3.855 40 30 EHEBRN Cc1cc(/C=N\c2ccc(I)cc2)c(C)n1C ZINC000408786361 257888270 /nfs/dbraw/zinc/88/82/70/257888270.db2.gz IHOZSCLUCIZECT-SXGWCWSVSA-N 0 0 338.192 3.997 40 30 EHEBRN CC(=O)n1nc(C(F)(F)C(F)(F)C(F)(F)F)cc1C(F)(F)F ZINC000095671244 258067295 /nfs/dbraw/zinc/06/72/95/258067295.db2.gz GMORCSYDBPUOJJ-UHFFFAOYSA-N 0 0 346.124 3.851 40 30 EHEBRN C=CCOc1ccccc1NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000013996144 519072261 /nfs/dbraw/zinc/07/22/61/519072261.db2.gz SQWMGPVHNAMLOA-UHFFFAOYSA-N 0 0 336.391 3.631 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)s1 ZINC000039989288 519089561 /nfs/dbraw/zinc/08/95/61/519089561.db2.gz GRGYPMPVMIGZNB-LBPRGKRZSA-N 0 0 349.481 3.839 40 30 EHEBRN C=CCSc1nnc(NC(=O)c2ccc(Cl)cc2F)s1 ZINC000015588058 519089949 /nfs/dbraw/zinc/08/99/49/519089949.db2.gz BXMPSKAABHDYHO-UHFFFAOYSA-N 0 0 329.809 3.861 40 30 EHEBRN CCCCCCOc1ccc(C=NN2C(=O)N[C@](C)(CC)C2=O)cc1 ZINC000003528158 520102405 /nfs/dbraw/zinc/10/24/05/520102405.db2.gz WPSNGAHWTCYHAR-YFQSIASUSA-N 0 0 345.443 3.700 40 30 EHEBRN O=[N+]([O-])c1ccc(N=NCCSCc2ccccc2)c([N+](=O)[O-])c1 ZINC000017302119 527360303 /nfs/dbraw/zinc/36/03/03/527360303.db2.gz RGSKENGFZSJEIX-PXNMLYILSA-N 0 0 346.368 3.834 40 30 EHEBRN O=C1NCCN1N=Cc1c(Cl)n(-c2ccccc2)c2ccccc12 ZINC000001648885 563399280 /nfs/dbraw/zinc/39/92/80/563399280.db2.gz QQPVSOPLFJRVKJ-CIAFOILYSA-N 0 0 338.798 3.643 40 30 EHEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccccn1 ZINC000408595078 563493683 /nfs/dbraw/zinc/49/36/83/563493683.db2.gz KGTKRZAPQDGNPP-YDZHTSKRSA-N 0 0 330.391 3.912 40 30 EHEBRN CC1=CC[C@H](CN=Nc2nnc3c4ccccc4n(C)c3n2)[C@@H](C)C1 ZINC000005394065 563531216 /nfs/dbraw/zinc/53/12/16/563531216.db2.gz DUXNNMLOOZGYBR-QOUCTAMTSA-N 0 0 334.427 3.907 40 30 EHEBRN Cc1ccc(S(=O)(=O)N/N=C2/C=C[C@@]3(CC=CCC3)CC2)cc1 ZINC000005431074 563532372 /nfs/dbraw/zinc/53/23/72/563532372.db2.gz DCCIVMNOLZRSIS-ORKPOYISSA-N 0 0 330.453 3.706 40 30 EHEBRN CCc1cc2c(ncnc2[N-][NH+]=Cc2ccc(N(C)C)cc2)s1 ZINC000005586086 563541498 /nfs/dbraw/zinc/54/14/98/563541498.db2.gz WVBFEWBKWKGGPE-KEBDBYFISA-N 0 0 325.441 3.766 40 30 EHEBRN CCCCC[C@@H](C/C=N/N(C)C)C(O)(C(F)(F)F)C(F)(F)F ZINC000005783268 563550102 /nfs/dbraw/zinc/55/01/02/563550102.db2.gz DUQTZXKXIYNAQS-YPZZKDGISA-N 0 0 336.320 3.976 40 30 EHEBRN Cc1ccc(Sc2ccc(/C=N/n3cnnc3)cc2[N+](=O)[O-])cc1 ZINC000006814853 563587438 /nfs/dbraw/zinc/58/74/38/563587438.db2.gz OUFOTIKZTRSHBG-DJKKODMXSA-N 0 0 339.380 3.528 40 30 EHEBRN CCCCCCCCCNC(=O)C(=O)NCc1ccc(CC)cc1 ZINC000408708318 563595961 /nfs/dbraw/zinc/59/59/61/563595961.db2.gz XOWKFTVRXQTSOT-UHFFFAOYSA-N 0 0 332.488 3.732 40 30 EHEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)S2)cc1 ZINC000008411980 563629773 /nfs/dbraw/zinc/62/97/73/563629773.db2.gz YMHHOEBZTSDMLA-GDNBJRDFSA-N 0 0 339.376 3.795 40 30 EHEBRN CCOc1ccc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000049875796 563991273 /nfs/dbraw/zinc/99/12/73/563991273.db2.gz WIMUTEYNCZHDCA-WOJGMQOQSA-N 0 0 330.340 3.553 40 30 EHEBRN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224707801 563994715 /nfs/dbraw/zinc/99/47/15/563994715.db2.gz ZQUXHDFOBRMCHV-UHFFFAOYSA-N 0 0 325.792 3.860 40 30 EHEBRN C=CCN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000224748633 563994865 /nfs/dbraw/zinc/99/48/65/563994865.db2.gz UXPDOGYZQRCFQJ-UHFFFAOYSA-N 0 0 346.408 3.593 40 30 EHEBRN C=CCN(c1cccc(C)c1C)S(=O)(=O)c1ccc(OC)cc1 ZINC000224856331 563995018 /nfs/dbraw/zinc/99/50/18/563995018.db2.gz UYLSYIKKKMCXGG-UHFFFAOYSA-N 0 0 331.437 3.693 40 30 EHEBRN C=CCOc1ccc(NC(=S)NCCOc2ccc(C)cc2)cc1 ZINC000225563140 563995932 /nfs/dbraw/zinc/99/59/32/563995932.db2.gz PTPANKUHHLIZIU-UHFFFAOYSA-N 0 0 342.464 3.925 40 30 EHEBRN O=C1CCCC2=C1C(c1ccccc1[N+](=O)[O-])C1=C(CCCC1=O)O2 ZINC000000276303 563996666 /nfs/dbraw/zinc/99/66/66/563996666.db2.gz YDLIOJMKWPAJOR-UHFFFAOYSA-N 0 0 339.347 3.723 40 30 EHEBRN CC/N=C1\S/C(=C\c2ccc(N3CCCCC3)o2)C(=O)N1CC ZINC000408845542 564007550 /nfs/dbraw/zinc/00/75/50/564007550.db2.gz KJRJHAWENDILPF-XZXDJJJYSA-N 0 0 333.457 3.582 40 30 EHEBRN Cc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000014164940 564021568 /nfs/dbraw/zinc/02/15/68/564021568.db2.gz BUUZDCUFAUGVJR-FVMDXXJSSA-N 0 0 328.803 3.508 40 30 EHEBRN COc1ccccc1CN/N=C/c1ccc(Br)s1 ZINC000020762662 564033414 /nfs/dbraw/zinc/03/34/14/564033414.db2.gz ZKTZLIUYJNLPFH-CXUHLZMHSA-N 0 0 325.231 3.643 40 30 EHEBRN COc1ccc([C@H](C)NC(=S)Nc2ccc(CC#N)cc2)cc1 ZINC000225463472 564047013 /nfs/dbraw/zinc/04/70/13/564047013.db2.gz RUGZBCUWJWGDJC-ZDUSSCGKSA-N 0 0 325.437 3.809 40 30 EHEBRN N#CCc1ccc(NC(=S)NCCCSCc2ccco2)cc1 ZINC000225593524 564048149 /nfs/dbraw/zinc/04/81/49/564048149.db2.gz GIRUCCAKNYUOQR-UHFFFAOYSA-N 0 0 345.493 3.956 40 30 EHEBRN CCOc1ccc(/C=N/O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000015392236 564061950 /nfs/dbraw/zinc/06/19/50/564061950.db2.gz IQNLYDWTVUNPAB-KIHMUJGBSA-N 0 0 348.349 3.741 40 30 EHEBRN C=CCN1C(=O)/C(=C\c2cccc(Br)c2)SC1=S ZINC000013388998 564073779 /nfs/dbraw/zinc/07/37/79/564073779.db2.gz YIVMEJSVLIUTGA-DHZHZOJOSA-N 0 0 340.267 3.836 40 30 EHEBRN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccco1 ZINC000013635074 564073959 /nfs/dbraw/zinc/07/39/59/564073959.db2.gz HICLZXRGKBGJRL-KRWDZBQOSA-N 0 0 335.363 3.647 40 30 EHEBRN C=C1C[C@@](COc2cc(=O)oc3ccccc23)(c2ccccc2)OC1=O ZINC000000024140 564074465 /nfs/dbraw/zinc/07/44/65/564074465.db2.gz ATSWSVKABBOUBT-OAQYLSRUSA-N 0 0 348.354 3.570 40 30 EHEBRN COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1ccc(C)cc1 ZINC000008372195 564127360 /nfs/dbraw/zinc/12/73/60/564127360.db2.gz KGKJXQSYOJSFRO-ITEXZYEPSA-N 0 0 325.364 3.736 40 30 EHEBRN COc1ccc(C=C2CCC(C(=O)C(F)(F)F)=C2O)cc1OC ZINC000107577031 564129953 /nfs/dbraw/zinc/12/99/53/564129953.db2.gz NBGXTBRSMOPHQD-XGQUATGFSA-N 0 0 328.286 3.825 40 30 EHEBRN Cc1ccc2nc(SCC(=O)Nc3nccs3)c(C#N)cc2c1 ZINC000000422230 564133215 /nfs/dbraw/zinc/13/32/15/564133215.db2.gz AVZQZHZVPDDFQR-UHFFFAOYSA-N 0 0 340.433 3.602 40 30 EHEBRN CC(=O)[C@@H]1CC[C@@H]2[C@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]12C ZINC000253617979 564133247 /nfs/dbraw/zinc/13/32/47/564133247.db2.gz GZENKSODFLBBHQ-ICAQONHNSA-N 0 0 344.495 3.940 40 30 EHEBRN CCc1ccc([C@@H]2[C@@H](C#N)[C@H]2S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000242437348 564135329 /nfs/dbraw/zinc/13/53/29/564135329.db2.gz BZWCPGPMNBMHAT-KZNAEPCWSA-N 0 0 345.851 3.982 40 30 EHEBRN CC(C)(C)Nc1nc(Nc2cccc(C#N)c2)cc(-c2cccnc2)n1 ZINC000328996651 564137547 /nfs/dbraw/zinc/13/75/47/564137547.db2.gz JKYAMZVYWQGGNQ-UHFFFAOYSA-N 0 0 344.422 3.786 40 30 EHEBRN CCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(O)c(O)c3)S2)cc1 ZINC000110701090 1129518915 /nfs/dbraw/zinc/51/89/15/1129518915.db2.gz UWCAIGHNSUIIHE-MHWRWJLKSA-N 0 0 340.404 3.552 40 30 EHEBRN CCC(CC)[C@H]1O[C@H]2OC(=N)[C@](C#N)(C2(CC)CC)C1(C#N)C#N ZINC000004743927 210267800 /nfs/dbraw/zinc/26/78/00/210267800.db2.gz KOSZWJSCARNWGK-QIIPPGSGSA-N 0 0 328.416 3.505 40 30 EHEBRN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CC(O)=C(C=O)C[C@]34C)[C@@H]1CCC(=O)O2 ZINC000004430615 210191861 /nfs/dbraw/zinc/19/18/61/210191861.db2.gz IAEXPESVUCYINT-PITSRBFTSA-N 0 0 332.440 3.946 40 30 EHEBRN CCCCCCCCOCCOC[C@H](O)COCCOCCCC ZINC000100923934 219111714 /nfs/dbraw/zinc/11/17/14/219111714.db2.gz LTUVLDROXOWYGR-LJQANCHMSA-N 0 0 348.524 3.574 40 30 EHEBRN CN(C)[P@@](=O)(/C(=N/c1ccccc1)N1CCCC1)N1CCCC1 ZINC000101144955 219117784 /nfs/dbraw/zinc/11/77/84/219117784.db2.gz FHCNACFDJKNIJX-SQAMQDMYSA-N 0 0 334.404 3.620 40 30 EHEBRN N#C[C@@]12C(=N)O[C@]3(CCCCC[C@H]13)O[C@H](c1ccccc1)C2(C#N)C#N ZINC000102719937 219224543 /nfs/dbraw/zinc/22/45/43/219224543.db2.gz DSWYUGSSEJEZIF-YKCBXCCJSA-N 0 0 346.390 3.586 40 30 EHEBRN C[C@@]1([C@H]2CC[C@H]3[C@@H]4C[C@H](O)[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)CO1 ZINC000037117425 213133552 /nfs/dbraw/zinc/13/35/52/213133552.db2.gz ZQSQEUPUOWBSRX-YZACYQNOSA-N 0 0 348.527 3.766 40 30 EHEBRN N#Cc1cc2cc3c(cc2nc1SCC(=O)c1ccccc1)OCO3 ZINC000035315989 213020960 /nfs/dbraw/zinc/02/09/60/213020960.db2.gz IVNAGZYZTOXADK-UHFFFAOYSA-N 0 0 348.383 3.810 40 30 EHEBRN Cc1ccc2cc(C#N)c(SCC(=O)NCc3ccccc3)nc2c1 ZINC000000422297 209584853 /nfs/dbraw/zinc/58/48/53/209584853.db2.gz OKDFZNAMLPFILD-UHFFFAOYSA-N 0 0 347.443 3.823 40 30 EHEBRN C#CCOC(=O)c1cc(Cl)c(OCc2cccnc2)c(OCC)c1 ZINC000216845502 241214720 /nfs/dbraw/zinc/21/47/20/241214720.db2.gz NLSKGPLOYLCUFI-UHFFFAOYSA-N 0 0 345.782 3.503 40 30 EHEBRN Cc1cccc(COc2nn(Cc3ccccc3C)c(N)c2C#N)c1 ZINC000225844427 242060811 /nfs/dbraw/zinc/06/08/11/242060811.db2.gz KNZVKFSEZFBCKA-UHFFFAOYSA-N 0 0 332.407 3.581 40 30 EHEBRN CCOC(=O)c1sc(OCc2ccc(C)cc2C)c(C#N)c1N ZINC000225850537 242063466 /nfs/dbraw/zinc/06/34/66/242063466.db2.gz HWWUGEUVQQWPFH-UHFFFAOYSA-N 0 0 330.409 3.575 40 30 EHEBRN CC(C)CCc1c(N)cc(C#N)n1CC(=O)Nc1ccc(Cl)cc1 ZINC000225861166 242065247 /nfs/dbraw/zinc/06/52/47/242065247.db2.gz AKZLJULHAAPNHU-UHFFFAOYSA-N 0 0 344.846 3.823 40 30 EHEBRN COc1ccc([C@@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)cc1 ZINC000020672514 212160854 /nfs/dbraw/zinc/16/08/54/212160854.db2.gz XEBUHWHKKYYDQN-LJQANCHMSA-N 0 0 333.391 3.923 40 30 EHEBRN CC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000020672591 212160701 /nfs/dbraw/zinc/16/07/01/212160701.db2.gz YTDDPDYJRQRSPK-GOSISDBHSA-N 0 0 348.362 3.822 40 30 EHEBRN C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]43C)[C@H]1Cc1c[nH]nc1N2 ZINC000008652869 210976270 /nfs/dbraw/zinc/97/62/70/210976270.db2.gz HLHKREHATSPYJP-JEIKXUOUSA-N 0 0 325.456 3.868 40 30 EHEBRN CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CCC#N ZINC000004931584 210327031 /nfs/dbraw/zinc/32/70/31/210327031.db2.gz QFFCWXCZAQROAN-UHFFFAOYSA-N 0 0 325.343 3.661 40 30 EHEBRN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H]3O[C@@H]3[C@]12C ZINC000118936458 221206102 /nfs/dbraw/zinc/20/61/02/221206102.db2.gz WHJDKVBASZLKNZ-SYBPFIFISA-N 0 0 328.452 3.711 40 30 EHEBRN C/N=C1/S/C(=C/c2cc(Cl)c(OC)c(Cl)c2)C(=O)N1C ZINC000408929565 257885946 /nfs/dbraw/zinc/88/59/46/257885946.db2.gz KYAZLNHDBLSBDS-AAALYJMCSA-N 0 0 331.224 3.534 40 30 EHEBRN C=CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(SC)cc1 ZINC000224986289 257899660 /nfs/dbraw/zinc/89/96/60/257899660.db2.gz VTOLVSAOPGNNCU-UHFFFAOYSA-N 0 0 337.441 3.929 40 30 EHEBRN Cc1cccc(N2CCN(C(=S)NCc3ccco3)CC2)c1C ZINC000008686585 524543123 /nfs/dbraw/zinc/54/31/23/524543123.db2.gz JXFFAYKSRDPXQX-UHFFFAOYSA-N 0 0 329.469 3.504 40 30 EHEBRN N#CCCN(CCC#N)c1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000008666363 526456439 /nfs/dbraw/zinc/45/64/39/526456439.db2.gz YFYBUQFLYHSAPN-SDNWHVSQSA-N 0 0 342.449 3.649 40 30 EHEBRN C=CCn1c(CCCC)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000408560674 563477327 /nfs/dbraw/zinc/47/73/27/563477327.db2.gz NEGYNWUAVNDCOV-UHFFFAOYSA-N 0 0 348.447 3.677 40 30 EHEBRN C#CCOc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000408609987 563498410 /nfs/dbraw/zinc/49/84/10/563498410.db2.gz PVIHWJGLDOCTFZ-UHFFFAOYSA-N 0 0 326.352 3.618 40 30 EHEBRN CC1(C)CC(=O)C2=C(C1)NC(=S)[C@H](C#N)[C@@H]2c1ccc(F)cc1 ZINC000005231381 563523727 /nfs/dbraw/zinc/52/37/27/563523727.db2.gz XKUKBYWGAGZROI-DOMZBBRYSA-N 0 0 328.412 3.623 40 30 EHEBRN COc1ccc(/C=C\C(=N\O)c2ccc(OC)c(OC)c2)cc1OC ZINC000017041692 563829781 /nfs/dbraw/zinc/82/97/81/563829781.db2.gz BZSHTKNCRMVXSF-XQFMIHEXSA-N 0 0 343.379 3.613 40 30 EHEBRN Clc1cccc(Cl)c1/C=N\N1CCN(c2ccccn2)CC1 ZINC000019835407 563856973 /nfs/dbraw/zinc/85/69/73/563856973.db2.gz WHKVNFFFCKGDHE-NDENLUEZSA-N 0 0 335.238 3.545 40 30 EHEBRN C=CCOC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(F)cc3)oc21 ZINC000073641898 563931040 /nfs/dbraw/zinc/93/10/40/563931040.db2.gz ADIJZYKAPUODCS-UHFFFAOYSA-N 0 0 342.282 3.885 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@@H](C)Oc2ccccc2CC)s1 ZINC000223268889 563981512 /nfs/dbraw/zinc/98/15/12/563981512.db2.gz QYEXNOQDMVIMMT-LLVKDONJSA-N 0 0 349.481 3.785 40 30 EHEBRN C=CCN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000224848669 563995010 /nfs/dbraw/zinc/99/50/10/563995010.db2.gz CKDPEKPLMAEOFK-UHFFFAOYSA-N 0 0 331.437 3.693 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@H](CC)Oc2cccc(C)c2)s1 ZINC000224914975 563995188 /nfs/dbraw/zinc/99/51/88/563995188.db2.gz ZKLCPANCDALPGD-ZDUSSCGKSA-N 0 0 349.481 3.921 40 30 EHEBRN COc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(N2CCCC2)cc1 ZINC000408843451 564007564 /nfs/dbraw/zinc/00/75/64/564007564.db2.gz FRWFAYMWSPYCFG-CPNJWEJPSA-N 0 0 325.368 3.954 40 30 EHEBRN CCOc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1O ZINC000409031838 564009074 /nfs/dbraw/zinc/00/90/74/564009074.db2.gz BPXDFJQXMFNNAB-IOXNKQMXSA-N 0 0 348.218 3.505 40 30 EHEBRN C=CCN1C(=O)N/C(=C/c2ccc(O[C@@H](C)CC)c(Cl)c2)C1=O ZINC000409138860 564010474 /nfs/dbraw/zinc/01/04/74/564010474.db2.gz IYWBSZWGTCMODL-IWQAVIMZSA-N 0 0 334.803 3.596 40 30 EHEBRN C=CCN1C(=O)N/C(=C/c2ccc(N3CCCC3)c3ccccc23)C1=O ZINC000409148280 564010511 /nfs/dbraw/zinc/01/05/11/564010511.db2.gz YDFZHWQORDAARH-NBVRZTHBSA-N 0 0 347.418 3.519 40 30 EHEBRN CCOc1ccc(/N=C\c2ccc(OCC(=O)NC(C)C)cc2)cc1 ZINC000100242799 564012308 /nfs/dbraw/zinc/01/23/08/564012308.db2.gz CAOMETPRCPVOJM-BKUYFWCQSA-N 0 0 340.423 3.739 40 30 EHEBRN CC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2)c(C#N)c1C ZINC000005921389 564014320 /nfs/dbraw/zinc/01/43/20/564014320.db2.gz SXAVFDAXVXSLIX-UHFFFAOYSA-N 0 0 348.811 3.802 40 30 EHEBRN C=CCOc1c(Br)cc(/C=C/[N+](=O)[O-])cc1OCC ZINC000033733690 564024453 /nfs/dbraw/zinc/02/44/53/564024453.db2.gz PTMQRWHEUANTMM-AATRIKPKSA-N 0 0 328.162 3.660 40 30 EHEBRN COc1ccc(/C=N/NCc2ccccc2OC)cc1Br ZINC000020761304 564033374 /nfs/dbraw/zinc/03/33/74/564033374.db2.gz ZLKKQRKYUJVUQM-VCHYOVAHSA-N 0 0 349.228 3.590 40 30 EHEBRN CCOc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1OC ZINC000006297199 564034422 /nfs/dbraw/zinc/03/44/22/564034422.db2.gz DUULHRYDNZIKJG-ZVBGSRNCSA-N 0 0 339.317 3.954 40 30 EHEBRN O=C1C(=NNc2ccccc2)c2cc(Cl)ccc2N1C1CSC1 ZINC000223737563 564040733 /nfs/dbraw/zinc/04/07/33/564040733.db2.gz SKXCEDWJYFXBQX-SILNSSARSA-N 0 0 343.839 3.618 40 30 EHEBRN C/N=C1\S/C(=C\c2cc(C)n(-c3ccccc3)c2C)C(=O)N1C ZINC000033681016 564050197 /nfs/dbraw/zinc/05/01/97/564050197.db2.gz REPMVWVFUGIWBX-UGZHYMOWSA-N 0 0 325.437 3.626 40 30 EHEBRN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC(=O)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000253537522 564053654 /nfs/dbraw/zinc/05/36/54/564053654.db2.gz LASCNIPXMJNRGS-LDJCDLSFSA-N 0 0 328.452 3.903 40 30 EHEBRN CCC(=NOC/C=C\Cl)C1C(=O)CC(C2CCOCC2)CC1=O ZINC000299888412 564060874 /nfs/dbraw/zinc/06/08/74/564060874.db2.gz IOYNQIMAUDJVEI-SVLPZUHASA-N 0 0 341.835 3.739 40 30 EHEBRN CCn1ncc(C(=O)/C=C\c2cc(O)ccc2Br)c1C ZINC000006556036 564066324 /nfs/dbraw/zinc/06/63/24/564066324.db2.gz CADHNWHTVVIGCX-DAXSKMNVSA-N 0 0 335.201 3.576 40 30 EHEBRN C#CCOc1ccccc1C=C1SC(Nc2ccccc2)=NC1=O ZINC000007165639 564070869 /nfs/dbraw/zinc/07/08/69/564070869.db2.gz SQOMYSKWASSVQP-LGMDPLHJSA-N 0 0 334.400 3.781 40 30 EHEBRN C=CCOc1ccc(C(=O)Nc2cccc(C(=O)OCC)c2C)cc1 ZINC000219640105 564084136 /nfs/dbraw/zinc/08/41/36/564084136.db2.gz JIPYFFNGVWOCKG-UHFFFAOYSA-N 0 0 339.391 3.989 40 30 EHEBRN N#C[C@@H]1C[C@H](F)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095642900 564118110 /nfs/dbraw/zinc/11/81/10/564118110.db2.gz OPDXECDWSCAFHZ-KBPBESRZSA-N 0 0 336.366 3.871 40 30 EHEBRN Cc1cc(C=NN2C(=S)N=NC2C)c(C)n1-c1ccc(Cl)cc1 ZINC000008123883 564127139 /nfs/dbraw/zinc/12/71/39/564127139.db2.gz JQKKVRLVXVERBS-GIJQJNRQSA-N 0 0 345.859 3.818 40 30 EHEBRN Cc1ccc(NC2=NC(=O)C(=Cc3ccc(OCC#N)cc3)S2)cc1 ZINC000213791466 564130107 /nfs/dbraw/zinc/13/01/07/564130107.db2.gz RSVZZYIBJNCCTH-ATVHPVEESA-N 0 0 349.415 3.980 40 30 EHEBRN Cc1ccc2nc(SCC(=O)N3CCCCCC3)c(C#N)cc2c1 ZINC000000411031 564133175 /nfs/dbraw/zinc/13/31/75/564133175.db2.gz NNFNTJQPBZYZTI-UHFFFAOYSA-N 0 0 339.464 3.910 40 30 EHEBRN Cc1ccc2nc(SCC(=O)N3CCCCC3)c(C#N)cc2c1 ZINC000000422232 564133226 /nfs/dbraw/zinc/13/32/26/564133226.db2.gz GBELJCSRJPHHCZ-UHFFFAOYSA-N 0 0 325.437 3.520 40 30 EHEBRN CCN(Cc1ccccc1)c1nn(-c2cccc(C)c2C)nc1C#N ZINC000256046150 564134696 /nfs/dbraw/zinc/13/46/96/564134696.db2.gz DBUXEGZQMCJDHN-UHFFFAOYSA-N 0 0 331.423 3.782 40 30 EHEBRN CC[C@@H]1CCCCN1c1nn(-c2ccccc2C(F)(F)F)nc1C#N ZINC000256047244 564134704 /nfs/dbraw/zinc/13/47/04/564134704.db2.gz LJJDQOZMFAGEQE-GFCCVEGCSA-N 0 0 349.360 3.927 40 30 EHEBRN CCOC(=O)c1c(C)[nH]c(N=Nc2ccccc2C(F)(F)F)c1C ZINC000100843587 219109026 /nfs/dbraw/zinc/10/90/26/219109026.db2.gz MYECEFZNFDXOLV-HYARGMPZSA-N 0 0 339.317 3.785 40 30 EHEBRN C=CCO/N=C(\CC)C1C(=O)CC(C[C@@H](C)SCC)CC1=O ZINC000101271714 219120348 /nfs/dbraw/zinc/12/03/48/219120348.db2.gz OKWHWOFQPNDOHO-BYEPPCQKSA-N 0 0 325.474 3.651 40 30 EHEBRN CC(C)(C)OC(=O)N1CCC[C@@H](COc2ccc(C#N)c(F)c2)C1 ZINC000039954322 213244893 /nfs/dbraw/zinc/24/48/93/213244893.db2.gz VHFPUIYVSWYCNG-CYBMUJFWSA-N 0 0 334.391 3.723 40 30 EHEBRN Cc1ccc2cc(C#N)c(SCC(=O)N3CCCC[C@@H]3C)nc2c1 ZINC000000422304 209584300 /nfs/dbraw/zinc/58/43/00/209584300.db2.gz GJAUHLRKVUFYCZ-AWEZNQCLSA-N 0 0 339.464 3.908 40 30 EHEBRN CCN(CC)C(=O)CSc1nc2c(C)ccc(C)c2cc1C#N ZINC000000419932 209582346 /nfs/dbraw/zinc/58/23/46/209582346.db2.gz MIDRUVCFHNVTIQ-UHFFFAOYSA-N 0 0 327.453 3.684 40 30 EHEBRN CC(C)(C)c1ccc([C@H]2c3sc(=O)[nH]c3SC[C@@H]2C=O)cc1 ZINC000032594573 212815150 /nfs/dbraw/zinc/81/51/50/212815150.db2.gz QQXZQTGHYXKJOX-WCQYABFASA-N 0 0 333.478 3.787 40 30 EHEBRN CCOC(=O)C[C@H](c1ccccc1)[C@@](C#N)(c1ccccc1)N(C)C ZINC000031667395 212742897 /nfs/dbraw/zinc/74/28/97/212742897.db2.gz MYACROWMLUCQHY-TZIWHRDSSA-N 0 0 336.435 3.704 40 30 EHEBRN C=CCOc1ccc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)cc1 ZINC000030851036 212711772 /nfs/dbraw/zinc/71/17/72/212711772.db2.gz CTVCCLMXWILCBN-CQSZACIVSA-N 0 0 327.380 3.666 40 30 EHEBRN C=CCOc1ccc(C(=O)NCCCc2ccc(OC)cc2)cc1 ZINC000219639372 241399962 /nfs/dbraw/zinc/39/99/62/241399962.db2.gz GLCASKYIYLGCMX-UHFFFAOYSA-N 0 0 325.408 3.623 40 30 EHEBRN C=CCOc1ccc(NC(=O)C2(C)COC3(CCCCC3)OC2)cc1 ZINC000225915646 242076999 /nfs/dbraw/zinc/07/69/99/242076999.db2.gz JVOVTTCXCHONKZ-UHFFFAOYSA-N 0 0 345.439 3.903 40 30 EHEBRN C=CCOC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 ZINC000226256990 242093088 /nfs/dbraw/zinc/09/30/88/242093088.db2.gz WPCDZEDQJISAGD-RMKNXTFCSA-N 0 0 329.308 3.606 40 30 EHEBRN CCOc1ccccc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 ZINC000019972677 212092220 /nfs/dbraw/zinc/09/22/20/212092220.db2.gz QDFJBYBYFWWAIF-UHFFFAOYSA-N 0 0 337.419 3.786 40 30 EHEBRN Brc1cc(/C=N/c2cccnc2)oc1Br ZINC000408951621 257885339 /nfs/dbraw/zinc/88/53/39/257885339.db2.gz JHHHBVJEDIHVJK-MKMNVTDBSA-N 0 0 329.979 3.950 40 30 EHEBRN N#Cc1c(NC(=O)C2CC2)sc2c1CCN(Cc1ccccc1)C2 ZINC000021345865 257855803 /nfs/dbraw/zinc/85/58/03/257855803.db2.gz AXXJFLVHLLDAER-UHFFFAOYSA-N 0 0 337.448 3.527 40 30 EHEBRN FC(F)(F)C(F)(F)C(F)(F)O[C@](F)(C[C@H]1CO1)C(F)(F)F ZINC000095677001 258067297 /nfs/dbraw/zinc/06/72/97/258067297.db2.gz CSMFZPWRCMEYPI-IUYQGCFVSA-N 0 0 342.104 3.810 40 30 EHEBRN C=CCOc1cccc(NC(=O)c2ccc(Cn3ccnc3)cc2)c1 ZINC000030940788 519056264 /nfs/dbraw/zinc/05/62/64/519056264.db2.gz MOSJILORYHLDSU-UHFFFAOYSA-N 0 0 333.391 3.749 40 30 EHEBRN COC1(C(=O)Nc2ccc(OCC(C)C)c(C#N)c2)CCCCC1 ZINC000225805489 536544641 /nfs/dbraw/zinc/54/46/41/536544641.db2.gz ZZVGIEHWZFJUDO-UHFFFAOYSA-N 0 0 330.428 3.881 40 30 EHEBRN CCCCC[C@@](C)(OCC)C(=O)Nc1ccc(OC(C)=O)c(C#N)c1 ZINC000225827888 535129062 /nfs/dbraw/zinc/12/90/62/535129062.db2.gz OLRLOPGJUBGGIC-LJQANCHMSA-N 0 0 346.427 3.798 40 30 EHEBRN CCO/C=C1/C(=O)C=C(C)C[C@@H]1c1ccc(OC)c(OC)c1OC ZINC000001668914 563401408 /nfs/dbraw/zinc/40/14/08/563401408.db2.gz QQAVAYYMUFZIKB-XDPMZMSMSA-N 0 0 332.396 3.636 40 30 EHEBRN C=CCOc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000408532542 563420393 /nfs/dbraw/zinc/42/03/93/563420393.db2.gz OBCNHQWRTKWAKG-UHFFFAOYSA-N 0 0 342.351 3.811 40 30 EHEBRN CCOC(=O)[C@@H](C#N)[C@@H](c1ccccc1OC)[C@@H]1CCOC(C)(C)C1 ZINC000002292633 563428772 /nfs/dbraw/zinc/42/87/72/563428772.db2.gz SRYXQBHPVZMMOV-UWWQBHOKSA-N 0 0 345.439 3.687 40 30 EHEBRN O=[N+]([O-])c1ccc(NN=Cc2ccc(F)c(Br)c2)cc1 ZINC000005569747 563540362 /nfs/dbraw/zinc/54/03/62/563540362.db2.gz BMIWFLOBFBLLCS-LZYBPNLTSA-N 0 0 338.136 3.942 40 30 EHEBRN C=CCOc1ccc(Br)cc1C(=S)N1CCCC1 ZINC000006361786 563565975 /nfs/dbraw/zinc/56/59/75/563565975.db2.gz KJUILNWTDHYGMP-UHFFFAOYSA-N 0 0 326.259 3.785 40 30 EHEBRN CCn1c2ccccc2nc1NN=Cc1cc2c(cc1Cl)OCO2 ZINC000408692100 563572432 /nfs/dbraw/zinc/57/24/32/563572432.db2.gz DMRIKVIBRURKRD-DJKKODMXSA-N 0 0 342.786 3.884 40 30 EHEBRN CCN1/C(=N/c2cccnc2)SC[C@]1(O)c1ccc(Cl)cc1 ZINC000013202224 563692010 /nfs/dbraw/zinc/69/20/10/563692010.db2.gz FDJVWXRSYLGFAD-JQSQVVPISA-N 0 0 333.844 3.637 40 30 EHEBRN C=CCN1C(=O)/C(=C\c2cccs2)S/C1=N/c1nnc(C)s1 ZINC000016666707 563819710 /nfs/dbraw/zinc/81/97/10/563819710.db2.gz KLDJGZSWPYBNFG-IIXCLMFLSA-N 0 0 348.478 3.698 40 30 EHEBRN Cc1cc(C=NNc2ccc3cccc(O)c3n2)c(O)c2ncccc12 ZINC000017419061 563844072 /nfs/dbraw/zinc/84/40/72/563844072.db2.gz RRJUAMXGTZCWIC-JJFYIABZSA-N 0 0 344.374 3.949 40 30 EHEBRN COc1ccc(C(=O)C(C)=C(C)N)c(OCc2ccccc2)c1OC ZINC000031670136 563912897 /nfs/dbraw/zinc/91/28/97/563912897.db2.gz ZTJYWRRDHZYESF-YPKPFQOOSA-N 0 0 341.407 3.718 40 30 EHEBRN O=C(O/N=C(/c1ccncc1)c1ccc(Cl)cc1)c1ccco1 ZINC000045221796 563929064 /nfs/dbraw/zinc/92/90/64/563929064.db2.gz LNSWJUNMQIYCCR-CAPFRKAQSA-N 0 0 326.739 3.937 40 30 EHEBRN Cc1nc(CC(=NNc2ccccc2)c2ccc(O)cc2O)cs1 ZINC000013637591 563931038 /nfs/dbraw/zinc/93/10/38/563931038.db2.gz LOOFAXUAOXIHJD-FXBPSFAMSA-N 0 0 339.420 3.922 40 30 EHEBRN S=C1N=NC(C2CCCCC2)N1N=Cc1c[nH]c2ccccc12 ZINC000245241346 563950323 /nfs/dbraw/zinc/95/03/23/563950323.db2.gz ATKTZMWHVWBYLZ-UHFFFAOYSA-N 0 0 325.441 3.978 40 30 EHEBRN C=CCSc1nnc(NC(=O)[C@@H](CC)Oc2ccc(C)cc2)s1 ZINC000222553302 563964039 /nfs/dbraw/zinc/96/40/39/563964039.db2.gz MCLSNVJBRUCDPE-CYBMUJFWSA-N 0 0 349.481 3.921 40 30 EHEBRN COc1ccc(CCNC=C(C)C(=O)c2ccc(F)cc2)cc1OC ZINC000104119426 563983495 /nfs/dbraw/zinc/98/34/95/563983495.db2.gz GEHCVNRTMXFICS-YPKPFQOOSA-N 0 0 343.398 3.762 40 30 EHEBRN C=CCN(c1ccccc1F)S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000224644547 563994513 /nfs/dbraw/zinc/99/45/13/563994513.db2.gz WSMYJNPCGULOQV-UHFFFAOYSA-N 0 0 335.400 3.524 40 30 EHEBRN C=CCN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000224670845 563994586 /nfs/dbraw/zinc/99/45/86/563994586.db2.gz DESPZDWOTKBLJE-UHFFFAOYSA-N 0 0 325.792 3.860 40 30 EHEBRN C=CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccccc1 ZINC000224667526 563994595 /nfs/dbraw/zinc/99/45/95/563994595.db2.gz IZEYKPAOUPHZQM-UHFFFAOYSA-N 0 0 337.828 3.730 40 30 EHEBRN C[C@@H](NC(=S)Nc1ccc(C#N)c(OC(F)F)c1)C(C)(C)C ZINC000070450795 563999486 /nfs/dbraw/zinc/99/94/86/563999486.db2.gz RXVYXIXUNPPBSD-SECBINFHSA-N 0 0 327.400 3.881 40 30 EHEBRN C=CCN1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)SC1=S ZINC000409017046 564008978 /nfs/dbraw/zinc/00/89/78/564008978.db2.gz VTLRWGSWOUVIAX-PTNGSMBKSA-N 0 0 342.445 3.570 40 30 EHEBRN CCOc1ccc2ccccc2c1CN=Nc1ncccc1[N+](=O)[O-] ZINC000409100437 564009926 /nfs/dbraw/zinc/00/99/26/564009926.db2.gz NHOSBGRAOXVZHB-UDWIEESQSA-N 0 0 336.351 3.988 40 30 EHEBRN COc1ccc(/N=C\c2ccc(OCC(=O)OC(C)C)cc2)cc1 ZINC000409190974 564010934 /nfs/dbraw/zinc/01/09/34/564010934.db2.gz XKPLGCXGZAFADH-NDENLUEZSA-N 0 0 327.380 3.776 40 30 EHEBRN Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(C)[nH]1 ZINC000409404409 564012058 /nfs/dbraw/zinc/01/20/58/564012058.db2.gz LCBMMXZHPVKLKX-UHFFFAOYSA-N 0 0 342.402 3.891 40 30 EHEBRN O=S(=O)([N-]c1cccnc1)c1ccc(/N=C/c2ccccc2)cc1 ZINC000020060616 564025721 /nfs/dbraw/zinc/02/57/21/564025721.db2.gz NGYHQJMKSJFZLN-DEDYPNTBSA-N 0 0 337.404 3.633 40 30 EHEBRN COC(=O)c1cccc(NN=Cc2ccccc2Br)c1 ZINC000008324385 564035351 /nfs/dbraw/zinc/03/53/51/564035351.db2.gz FVENARCDMAVSAQ-LICLKQGHSA-N 0 0 333.185 3.682 40 30 EHEBRN Cc1cc2c(cc1/C=N/n1cnnc1)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223593744 564040430 /nfs/dbraw/zinc/04/04/30/564040430.db2.gz STXJOUUYSVLRHQ-GTQIFZCBSA-N 0 0 325.460 3.969 40 30 EHEBRN O=C1N/C(=N/N=C/c2ccccc2Cl)S[C@H]1c1ccccc1 ZINC000059488418 564050825 /nfs/dbraw/zinc/05/08/25/564050825.db2.gz ARLNJOFGYWSEPM-XKYMITNMSA-N 0 0 329.812 3.634 40 30 EHEBRN CCOc1ccc2nc(SCC(=O)N[C@@H](C)CC)c(C#N)cc2c1 ZINC000001354858 564063258 /nfs/dbraw/zinc/06/32/58/564063258.db2.gz AQYSMVCFWGJAJZ-LBPRGKRZSA-N 0 0 343.452 3.512 40 30 EHEBRN C#CCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000058818617 564065447 /nfs/dbraw/zinc/06/54/47/564065447.db2.gz FTOAMHWLJSFHET-UHFFFAOYSA-N 0 0 347.370 3.709 40 30 EHEBRN Cc1ccc(OCc2nc(SCC(C)C)nc(N)c2C#N)cc1 ZINC000223686679 564081800 /nfs/dbraw/zinc/08/18/00/564081800.db2.gz JJBCCJAWOCPILV-UHFFFAOYSA-N 0 0 328.441 3.566 40 30 EHEBRN C=C(C)COc1cccc(C(=O)Nc2ccc(C(=O)OC)cc2)c1 ZINC000219776714 564084167 /nfs/dbraw/zinc/08/41/67/564084167.db2.gz HPYLHSDNKOTNAB-UHFFFAOYSA-N 0 0 325.364 3.680 40 30 EHEBRN CC(=O)Nc1ccc(-c2nc(SCc3ccccc3C#N)n[nH]2)cc1 ZINC000007604776 564126792 /nfs/dbraw/zinc/12/67/92/564126792.db2.gz XGOSLNAPMCLOST-UHFFFAOYSA-N 0 0 349.419 3.594 40 30 EHEBRN Oc1ccc(/C=N/NCc2ccccc2Cl)cc1Br ZINC000008811307 564127582 /nfs/dbraw/zinc/12/75/82/564127582.db2.gz VPDQMVMOIMVNJU-CAOOACKPSA-N 0 0 339.620 3.932 40 30 EHEBRN COc1ccc2c(c1)O[C@@H](C)C/C2=N/OC(=O)c1cccc(F)c1 ZINC000005573423 564129749 /nfs/dbraw/zinc/12/97/49/564129749.db2.gz DDDABDPISZGTQJ-PORMKJMCSA-N 0 0 329.327 3.566 40 30 EHEBRN CC(C)(C)Nc1nc(Nc2cccc(F)c2C#N)cc(C2CC2)n1 ZINC000329023588 564137574 /nfs/dbraw/zinc/13/75/74/564137574.db2.gz OVFYYOCGOZLLPI-UHFFFAOYSA-N 0 0 325.391 3.741 40 30 EHEBRN