smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CN1Cc2ccccc2C1=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826411620 607340794 /nfs/dbraw/zinc/34/07/94/607340794.db2.gz GMNITSPMYGFXQD-UHFFFAOYSA-N 0 0 349.354 0.966 20 50 ECGDRN Cc1c(C=C(C#N)C(=O)N[C@H](C)CCO)cc(-c2nn[nH]n2)n1C ZINC000826235466 607512095 /nfs/dbraw/zinc/51/20/95/607512095.db2.gz KLVMXRGUTVMWBZ-DKBJHAQFSA-N 0 0 329.364 0.308 20 50 ECGDRN C[C@H]1C[N@H+](CC(=O)NNC(=O)c2cccc(Cl)c2)C[C@H]1C(=O)[O-] ZINC000828438120 601513259 /nfs/dbraw/zinc/51/32/59/601513259.db2.gz COIDGLBCXUVENL-JOYOIKCWSA-N 0 0 339.779 0.754 20 50 ECGDRN O=C(CCn1cc([N+](=O)[O-])cn1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826409537 607724551 /nfs/dbraw/zinc/72/45/51/607724551.db2.gz DOGIJEHMKNCFGH-UHFFFAOYSA-N 0 0 343.307 0.505 20 50 ECGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)C1(C(=O)NC2CC2)CC1 ZINC000826447450 607726725 /nfs/dbraw/zinc/72/67/25/607726725.db2.gz GKDSLCLAVGLZLX-UHFFFAOYSA-N 0 0 327.348 0.369 20 50 ECGDRN CCn1nccc1C=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825806951 607807935 /nfs/dbraw/zinc/80/79/35/607807935.db2.gz KYDYNQQGMMURNI-UHFFFAOYSA-N 0 0 340.347 0.612 20 50 ECGDRN Cc1ccc(CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)o1 ZINC000826286473 607818025 /nfs/dbraw/zinc/81/80/25/607818025.db2.gz DCXWHWLJFQRGQR-UHFFFAOYSA-N 0 0 326.316 0.772 20 50 ECGDRN C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCO1 ZINC000824892443 608761390 /nfs/dbraw/zinc/76/13/90/608761390.db2.gz IFXANLCVLYZGQA-JOYOIKCWSA-N 0 0 345.363 0.378 20 50 ECGDRN COC[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C ZINC000826163630 608826550 /nfs/dbraw/zinc/82/65/50/608826550.db2.gz CYNACDNREQKLQI-UKWOQQOSSA-N 0 0 329.364 0.572 20 50 ECGDRN Cc1c(C=C(C#N)C(=O)NC2=NO[C@H](C)C2)cc(-c2nn[nH]n2)n1C ZINC000826236085 609261895 /nfs/dbraw/zinc/26/18/95/609261895.db2.gz YCQFAUALYKEVBW-ITXLNXHTSA-N 0 0 340.347 0.659 20 50 ECGDRN CCC1(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCOCC1 ZINC000825164762 609456917 /nfs/dbraw/zinc/45/69/17/609456917.db2.gz IOBGJIDJIPBYTQ-UHFFFAOYSA-N 0 0 344.375 0.835 20 50 ECGDRN O=C(NNC(=S)NC[C@H]1CCOC1)c1cccc(-c2nn[nH]n2)c1 ZINC000826445194 607532941 /nfs/dbraw/zinc/53/29/41/607532941.db2.gz KIIBSBUWPMYYCS-SECBINFHSA-N 0 0 347.404 0.012 20 50 ECGDRN Cc1c(C=C(C#N)C(=O)N[C@H]2CCOC2)cc(-c2nn[nH]n2)n1C ZINC000826235574 607774707 /nfs/dbraw/zinc/77/47/07/607774707.db2.gz MFRFNPHGBXOWRT-JVOXIWMLSA-N 0 0 327.348 0.326 20 50 ECGDRN O=C(NNC(=S)NC[C@H]1CCOC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826445528 607533484 /nfs/dbraw/zinc/53/34/84/607533484.db2.gz XYYPDOQBAXJLMM-SECBINFHSA-N 0 0 347.404 0.012 20 50 ECGDRN COC[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000826150615 607537718 /nfs/dbraw/zinc/53/77/18/607537718.db2.gz IERLSEOQBHFHET-LBPRGKRZSA-N 0 0 345.363 0.236 20 50 ECGDRN CC(C)CONC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824270774 607560555 /nfs/dbraw/zinc/56/05/55/607560555.db2.gz GOWIWJUHYQDGBF-UHFFFAOYSA-N 0 0 349.351 0.164 20 50 ECGDRN CC(C)(C)C(=O)NNC(=O)C[N@H+](C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000823754953 603556285 /nfs/dbraw/zinc/55/62/85/603556285.db2.gz VBJRLYQGGPKLNS-UHFFFAOYSA-N 0 0 340.424 0.787 20 50 ECGDRN CC(=NNC(=O)[C@@H](C)C[NH+]1CCOCC1)[C@@H]1CCCCN1C(=O)[O-] ZINC000823528194 604086966 /nfs/dbraw/zinc/08/69/66/604086966.db2.gz QUHSOYOVWBJONO-JSGCOSHPSA-N 0 0 340.424 0.979 20 50 ECGDRN C[C@H](C[N@H+](CC(=O)NNC(=O)c1cccc(C#N)c1)C1CC1)C(=O)[O-] ZINC000833516734 604607522 /nfs/dbraw/zinc/60/75/22/604607522.db2.gz VADPENNOYBDULX-LLVKDONJSA-N 0 0 344.371 0.504 20 50 ECGDRN CS(=O)(=O)c1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)o1 ZINC000826223867 607713724 /nfs/dbraw/zinc/71/37/24/607713724.db2.gz CWDDUSZUMUTRHI-UHFFFAOYSA-N 0 0 348.344 0.620 20 50 ECGDRN CC(=NNC(=O)[C@@H](C)C[NH+]1CCCCC1)c1cn(CC(=O)[O-])nn1 ZINC000825798184 604782634 /nfs/dbraw/zinc/78/26/34/604782634.db2.gz BQJMFOWHAAJSAS-NSHDSACASA-N 0 0 336.396 0.325 20 50 ECGDRN C[C@@H](C[N@H+](CC(=O)NNC(=O)c1cccs1)C1CC1)C(=O)[O-] ZINC000833516715 605240081 /nfs/dbraw/zinc/24/00/81/605240081.db2.gz UNTRNMQVRJPKGR-VIFPVBQESA-N 0 0 325.390 0.694 20 50 ECGDRN CS(=O)(=O)c1ccccc1NNC(=O)c1ccc(-c2nn[nH]n2)[nH]1 ZINC000826223795 607754638 /nfs/dbraw/zinc/75/46/38/607754638.db2.gz AEEQTPBUHLYYPV-UHFFFAOYSA-N 0 0 347.360 0.355 20 50 ECGDRN C[C@@H](CO)CCCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824432840 607995493 /nfs/dbraw/zinc/99/54/93/607995493.db2.gz ABNVUZZOOMDDLU-SNVBAGLBSA-N 0 0 347.379 0.219 20 50 ECGDRN C[C@@H]1CCCN(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824936314 608320094 /nfs/dbraw/zinc/32/00/94/608320094.db2.gz FZPQHNIGJRYLAY-SNVBAGLBSA-N 0 0 329.364 0.953 20 50 ECGDRN CNC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826051773 609302775 /nfs/dbraw/zinc/30/27/75/609302775.db2.gz NHDJUBZLUJTNDI-GHXNOFRVSA-N 0 0 334.343 0.920 20 50 ECGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)Nc1ccncc1[N+](=O)[O-] ZINC000826448182 609356967 /nfs/dbraw/zinc/35/69/67/609356967.db2.gz LARCEKYLBQHFFE-UHFFFAOYSA-N 0 0 341.291 0.740 20 50 ECGDRN O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826444982 609407327 /nfs/dbraw/zinc/40/73/27/609407327.db2.gz BLGLUJGJOOIWDD-UHFFFAOYSA-N 0 0 342.275 0.178 20 50 ECGDRN O=C(COc1ccccc1F)NNC(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC000826419295 609409803 /nfs/dbraw/zinc/40/98/03/609409803.db2.gz RJQYLQZWECMJMH-UHFFFAOYSA-N 0 0 345.294 0.174 20 50 ECGDRN O=C(CNC(=O)c1ccccn1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826412138 607342129 /nfs/dbraw/zinc/34/21/29/607342129.db2.gz CQQOMDGQMQLQJX-UHFFFAOYSA-N 0 0 338.331 0.135 20 50 ECGDRN Cc1c(C=C(C#N)C(=O)N[C@H](C)CCO)cc(-c2nn[nH]n2)n1C ZINC000826235468 607512280 /nfs/dbraw/zinc/51/22/80/607512280.db2.gz KLVMXRGUTVMWBZ-TZZQWBKVSA-N 0 0 329.364 0.308 20 50 ECGDRN CC(C)CONC(=O)NNC(=O)COc1ccccc1-c1nn[nH]n1 ZINC000824272499 607560820 /nfs/dbraw/zinc/56/08/20/607560820.db2.gz ZARGVQLETFHJJF-UHFFFAOYSA-N 0 0 349.351 0.164 20 50 ECGDRN CC(=NNC(=O)[C@H](C)C[NH+]1CCOCC1)[C@@H]1CCCCN1C(=O)[O-] ZINC000823528195 604087266 /nfs/dbraw/zinc/08/72/66/604087266.db2.gz QUHSOYOVWBJONO-OCCSQVGLSA-N 0 0 340.424 0.979 20 50 ECGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cccc(-n2cnnn2)c1 ZINC000826448877 607723718 /nfs/dbraw/zinc/72/37/18/607723718.db2.gz QFCWTHKVTGTTKT-UHFFFAOYSA-N 0 0 348.330 0.599 20 50 ECGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccnc(-n2cncn2)c1 ZINC000826448785 607727060 /nfs/dbraw/zinc/72/70/60/607727060.db2.gz LTCDKKZDFYJFJN-UHFFFAOYSA-N 0 0 348.330 0.599 20 50 ECGDRN Cc1nc(SCCC(=O)NNc2cccc(-c3nn[nH]n3)c2)n[nH]1 ZINC000826336855 607728553 /nfs/dbraw/zinc/72/85/53/607728553.db2.gz QTXXHHGIVWJASA-UHFFFAOYSA-N 0 0 345.392 0.919 20 50 ECGDRN CC(C)CN1C[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1=O ZINC000824261650 607730781 /nfs/dbraw/zinc/73/07/81/607730781.db2.gz NXBQBQNZBWZZEZ-GFCCVEGCSA-N 0 0 343.391 0.814 20 50 ECGDRN O=C([O-])NCC(=O)NN=Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000834201201 605387012 /nfs/dbraw/zinc/38/70/12/605387012.db2.gz GYIXTPQXVHAXHV-UHFFFAOYSA-N 0 0 334.376 0.879 20 50 ECGDRN O=C([O-])NCCC(=O)NNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000834227185 605845137 /nfs/dbraw/zinc/84/51/37/605845137.db2.gz NCMMSVAMEVRYDT-UHFFFAOYSA-N 0 0 348.403 0.704 20 50 ECGDRN CC(C)C(=O)NCCCNC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000824178312 607959342 /nfs/dbraw/zinc/95/93/42/607959342.db2.gz PNTMZERGXBSDRY-UHFFFAOYSA-N 0 0 346.395 0.655 20 50 ECGDRN Cc1ccc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)c(O)c1 ZINC000826281687 608119281 /nfs/dbraw/zinc/11/92/81/608119281.db2.gz FZRLCJBUOMAUHN-UHFFFAOYSA-N 0 0 327.304 0.284 20 50 ECGDRN O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)NOC1CCCC1 ZINC000826444943 608414114 /nfs/dbraw/zinc/41/41/14/608414114.db2.gz ACBSSOAXEWSTDP-UHFFFAOYSA-N 0 0 331.336 0.685 20 50 ECGDRN Cc1c(C=C(C#N)C(=O)NCc2ncccn2)cc(-c2nn[nH]n2)n1C ZINC000826235043 608813488 /nfs/dbraw/zinc/81/34/88/608813488.db2.gz AHXVAXJGEUQKJS-WUXMJOGZSA-N 0 0 349.358 0.527 20 50 ECGDRN N#Cc1ccc(NNC(=O)[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826385537 609254343 /nfs/dbraw/zinc/25/43/43/609254343.db2.gz QDRNKLMOBDHLNC-CQSZACIVSA-N 0 0 335.327 0.915 20 50 ECGDRN COc1cccc(NNC(=O)CNc2ccc(-c3nn[nH]n3)cn2)n1 ZINC000826216516 609262761 /nfs/dbraw/zinc/26/27/61/609262761.db2.gz CBLSTKYPCYANCY-UHFFFAOYSA-N 0 0 341.335 0.221 20 50 ECGDRN CC(=NNC(=O)[C@@H]1COCCO1)c1ccc(-c2nn[nH]n2)cc1F ZINC000823948543 609276657 /nfs/dbraw/zinc/27/66/57/609276657.db2.gz RCKJXHRZGOSIGF-LBPRGKRZSA-N 0 0 334.311 0.261 20 50 ECGDRN COC(=O)CNC(=O)NN=Cc1c[nH]c2ccc(-c3nn[nH]n3)cc12 ZINC000826138462 609523830 /nfs/dbraw/zinc/52/38/30/609523830.db2.gz VZEVJYAVEVGKPK-UHFFFAOYSA-N 0 0 342.319 0.154 20 50 ECGDRN Cc1n[nH]c(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1[N+](=O)[O-] ZINC000826233685 607338161 /nfs/dbraw/zinc/33/81/61/607338161.db2.gz RLVRNECPLXBUMT-UHFFFAOYSA-N 0 0 329.280 0.563 20 50 ECGDRN CNC(=O)c1ccc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cn1 ZINC000826067106 607353860 /nfs/dbraw/zinc/35/38/60/607353860.db2.gz BHHHFHQBXNJTDV-UHFFFAOYSA-N 0 0 338.331 0.378 20 50 ECGDRN CSCCNC(=S)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826229244 607783537 /nfs/dbraw/zinc/78/35/37/607783537.db2.gz WCNQVZIZOAFJOG-UHFFFAOYSA-N 0 0 337.434 0.339 20 50 ECGDRN CC(=O)N1CSC[C@H]1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000823989267 607712993 /nfs/dbraw/zinc/71/29/93/607712993.db2.gz RMVDVVMKBFDSLV-NSHDSACASA-N 0 0 333.377 0.231 20 50 ECGDRN O=C([O-])NCCCC(=O)NNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000834230239 605974925 /nfs/dbraw/zinc/97/49/25/605974925.db2.gz AVPIAPBSLOBHNK-LBPRGKRZSA-N 0 0 326.397 0.589 20 50 ECGDRN O=C(NNC(=O)c1cc[nH]c(=O)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823277631 606718780 /nfs/dbraw/zinc/71/87/80/606718780.db2.gz SLPHRQBTCYPLFO-UHFFFAOYSA-N 0 0 325.288 0.042 20 50 ECGDRN C[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CCC1=O ZINC000824866638 608120447 /nfs/dbraw/zinc/12/04/47/608120447.db2.gz NBAPXOSOBXGVRV-SKDRFNHKSA-N 0 0 342.359 0.633 20 50 ECGDRN Cc1c(C=C(C#N)C(=O)N2C[C@H](C)[C@H](O)C2)cc(-c2nn[nH]n2)n1C ZINC000826235616 608637336 /nfs/dbraw/zinc/63/73/36/608637336.db2.gz NGKYROUFBSEGJN-QJSRDBCBSA-N 0 0 341.375 0.260 20 50 ECGDRN CCNC(=O)N(C)NC(=O)C(C)(C)Oc1ccc(-c2nn[nH]n2)cc1 ZINC000825470650 609165826 /nfs/dbraw/zinc/16/58/26/609165826.db2.gz GJBBMPHRVBDMSN-UHFFFAOYSA-N 0 0 347.379 0.717 20 50 ECGDRN Cc1c(C=C(C#N)C(=O)NN2CCCC2=O)cc(-c2nn[nH]n2)n1C ZINC000826235901 609267567 /nfs/dbraw/zinc/26/75/67/609267567.db2.gz UHHCWNWQDNJKGZ-WDZFZDKYSA-N 0 0 340.347 0.074 20 50 ECGDRN O=C(NNc1ccnc(F)c1)[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826449172 609301322 /nfs/dbraw/zinc/30/13/22/609301322.db2.gz FLHOYNSXRQJMEK-GFCCVEGCSA-N 0 0 329.295 0.578 20 50 ECGDRN Cc1nnc2ccc(C(=O)NNc3cccc(-c4nn[nH]n4)c3)cn12 ZINC000826337360 607334179 /nfs/dbraw/zinc/33/41/79/607334179.db2.gz LVSVQZGEUKYQOI-UHFFFAOYSA-N 0 0 335.331 0.975 20 50 ECGDRN Cc1nc(SCC(=O)NNc2ccc(-c3nn[nH]n3)cc2)n[nH]1 ZINC000826322709 607340743 /nfs/dbraw/zinc/34/07/43/607340743.db2.gz YIHLQKOTAAWNHM-UHFFFAOYSA-N 0 0 331.365 0.529 20 50 ECGDRN NC(=O)N1CCC[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000826392206 607340982 /nfs/dbraw/zinc/34/09/82/607340982.db2.gz QHTAPMDHDWONIU-JTQLQIEISA-N 0 0 330.352 0.101 20 50 ECGDRN O=C(NNC(=O)c1ccc(F)nc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000823277853 599699566 /nfs/dbraw/zinc/69/95/66/599699566.db2.gz YZTSROJXGKRBNA-UHFFFAOYSA-N 0 0 327.279 0.476 20 50 ECGDRN CC(C)[C@H]([NH2+]CC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-] ZINC000827091868 601823756 /nfs/dbraw/zinc/82/37/56/601823756.db2.gz LBTNWCWADRIUDF-LBPRGKRZSA-N 0 0 338.320 0.055 20 50 ECGDRN C[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)N1CCSCC1 ZINC000824039644 607569985 /nfs/dbraw/zinc/56/99/85/607569985.db2.gz GIIZZDRKHOMBQJ-JTQLQIEISA-N 0 0 333.421 0.747 20 50 ECGDRN CCc1ccc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)cc1 ZINC000825705193 607682346 /nfs/dbraw/zinc/68/23/46/607682346.db2.gz YLNLLOHCEPOBAT-UHFFFAOYSA-N 0 0 325.332 0.832 20 50 ECGDRN C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000824728746 607720523 /nfs/dbraw/zinc/72/05/23/607720523.db2.gz HANWLASCMFYQJX-MFKMUULPSA-N 0 0 332.364 0.894 20 50 ECGDRN O=C(CSc1cccc[n+]1[O-])NNc1cccc(-c2nn[nH]n2)c1 ZINC000826420963 607722788 /nfs/dbraw/zinc/72/27/88/607722788.db2.gz LHSKWYOSYZCMDJ-UHFFFAOYSA-N 0 0 343.372 0.736 20 50 ECGDRN O=C([O-])NCC(=O)NNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000834200813 605466055 /nfs/dbraw/zinc/46/60/55/605466055.db2.gz QCHUFKGMPHPKGQ-UHFFFAOYSA-N 0 0 334.376 0.314 20 50 ECGDRN CCCC[C@@H](NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C(=O)OC ZINC000825267989 608098486 /nfs/dbraw/zinc/09/84/86/608098486.db2.gz PNNVJFDUOFJYDJ-GFCCVEGCSA-N 0 0 332.364 0.833 20 50 ECGDRN CCN(CC)c1cc[nH]c(=NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC000825416856 608185281 /nfs/dbraw/zinc/18/52/81/608185281.db2.gz MZCRPMXDDNDCSS-UHFFFAOYSA-N 0 0 342.367 0.588 20 50 ECGDRN Cc1nc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c(=O)[nH]c1C ZINC000826323966 608198887 /nfs/dbraw/zinc/19/88/87/608198887.db2.gz ZLWUQPMBDOWNDL-UHFFFAOYSA-N 0 0 326.320 0.324 20 50 ECGDRN CC(CCCCO)=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000824400144 608317326 /nfs/dbraw/zinc/31/73/26/608317326.db2.gz ATTGRYVWOODZHV-UHFFFAOYSA-N 0 0 332.364 0.900 20 50 ECGDRN O=C(COc1ccc(-c2nn[nH]n2)cc1)NN=C1CCCOCC1 ZINC000826417302 608884200 /nfs/dbraw/zinc/88/42/00/608884200.db2.gz MCEWNKXUMUPMGV-UHFFFAOYSA-N 0 0 330.348 0.918 20 50 ECGDRN CC(=NNC(=O)CO)c1cnn(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000823948474 609160090 /nfs/dbraw/zinc/16/00/90/609160090.db2.gz OIVQWFWSUFNCNK-UHFFFAOYSA-N 0 0 340.347 0.193 20 50 ECGDRN Cc1c(C=C(C#N)C(=O)N2CC(F)(F)C2)cc(-c2nn[nH]n2)n1C ZINC000826235902 609267219 /nfs/dbraw/zinc/26/72/19/609267219.db2.gz UHUOPHUKQGIIDY-KMKOMSMNSA-N 0 0 333.302 0.898 20 50 ECGDRN CN(C)c1cccc(C(=O)NNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)c1 ZINC000825878755 609412766 /nfs/dbraw/zinc/41/27/66/609412766.db2.gz DHNQGVSMDXSIHT-UHFFFAOYSA-N 0 0 340.347 0.336 20 50 ECGDRN C[C@@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@@H]1F ZINC000824948030 609446034 /nfs/dbraw/zinc/44/60/34/609446034.db2.gz SIORHUQEMPAUQQ-SKDRFNHKSA-N 0 0 347.354 0.901 20 50 ECGDRN Cn1cc(C(N)=O)cc1C(=O)NNc1ccc(-c2nn[nH]n2)cc1 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