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[n-]n2)cc1 ZINC000826411620 607340797 /nfs/dbraw/zinc/34/07/97/607340797.db2.gz GMNITSPMYGFXQD-UHFFFAOYSA-N -1 3 349.354 0.966 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)CCO)cc(-c2nnn[n-]2)n1C ZINC000826235466 607512097 /nfs/dbraw/zinc/51/20/97/607512097.db2.gz KLVMXRGUTVMWBZ-DKBJHAQFSA-N -1 3 329.364 0.308 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)CCO)cc(-c2nn[n-]n2)n1C ZINC000826235466 607512099 /nfs/dbraw/zinc/51/20/99/607512099.db2.gz KLVMXRGUTVMWBZ-DKBJHAQFSA-N -1 3 329.364 0.308 20 50 ECGDHM O=C(CCn1cc([N+](=O)[O-])cn1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409537 607724553 /nfs/dbraw/zinc/72/45/53/607724553.db2.gz DOGIJEHMKNCFGH-UHFFFAOYSA-N -1 3 343.307 0.505 20 50 ECGDHM O=C(CCn1cc([N+](=O)[O-])cn1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409537 607724555 /nfs/dbraw/zinc/72/45/55/607724555.db2.gz DOGIJEHMKNCFGH-UHFFFAOYSA-N -1 3 343.307 0.505 20 50 ECGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C1(C(=O)NC2CC2)CC1 ZINC000826447450 607726727 /nfs/dbraw/zinc/72/67/27/607726727.db2.gz GKDSLCLAVGLZLX-UHFFFAOYSA-N -1 3 327.348 0.369 20 50 ECGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C1(C(=O)NC2CC2)CC1 ZINC000826447450 607726728 /nfs/dbraw/zinc/72/67/28/607726728.db2.gz GKDSLCLAVGLZLX-UHFFFAOYSA-N -1 3 327.348 0.369 20 50 ECGDHM CCn1nccc1C=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825806951 607807936 /nfs/dbraw/zinc/80/79/36/607807936.db2.gz KYDYNQQGMMURNI-UHFFFAOYSA-N -1 3 340.347 0.612 20 50 ECGDHM Cc1ccc(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826286473 607818026 /nfs/dbraw/zinc/81/80/26/607818026.db2.gz DCXWHWLJFQRGQR-UHFFFAOYSA-N -1 3 326.316 0.772 20 50 ECGDHM Cc1ccc(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000826286473 607818027 /nfs/dbraw/zinc/81/80/27/607818027.db2.gz DCXWHWLJFQRGQR-UHFFFAOYSA-N -1 3 326.316 0.772 20 50 ECGDHM C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824892443 608761391 /nfs/dbraw/zinc/76/13/91/608761391.db2.gz IFXANLCVLYZGQA-JOYOIKCWSA-N -1 3 345.363 0.378 20 50 ECGDHM C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824892443 608761392 /nfs/dbraw/zinc/76/13/92/608761392.db2.gz IFXANLCVLYZGQA-JOYOIKCWSA-N -1 3 345.363 0.378 20 50 ECGDHM COC[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826163630 608826553 /nfs/dbraw/zinc/82/65/53/608826553.db2.gz CYNACDNREQKLQI-UKWOQQOSSA-N -1 3 329.364 0.572 20 50 ECGDHM COC[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826163630 608826556 /nfs/dbraw/zinc/82/65/56/608826556.db2.gz CYNACDNREQKLQI-UKWOQQOSSA-N -1 3 329.364 0.572 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)NC2=NO[C@H](C)C2)cc(-c2nn[n-]n2)n1C ZINC000826236085 609261896 /nfs/dbraw/zinc/26/18/96/609261896.db2.gz YCQFAUALYKEVBW-ITXLNXHTSA-N -1 3 340.347 0.659 20 50 ECGDHM CCC1(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC000825164762 609456923 /nfs/dbraw/zinc/45/69/23/609456923.db2.gz IOBGJIDJIPBYTQ-UHFFFAOYSA-N -1 3 344.375 0.835 20 50 ECGDHM CCC1(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC000825164762 609456925 /nfs/dbraw/zinc/45/69/25/609456925.db2.gz IOBGJIDJIPBYTQ-UHFFFAOYSA-N -1 3 344.375 0.835 20 50 ECGDHM O=C(NNC(=S)NC[C@H]1CCOC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826445194 607532942 /nfs/dbraw/zinc/53/29/42/607532942.db2.gz KIIBSBUWPMYYCS-SECBINFHSA-N -1 3 347.404 0.012 20 50 ECGDHM O=C(NNC(=S)NC[C@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826445194 607532943 /nfs/dbraw/zinc/53/29/43/607532943.db2.gz KIIBSBUWPMYYCS-SECBINFHSA-N -1 3 347.404 0.012 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000826235574 607774708 /nfs/dbraw/zinc/77/47/08/607774708.db2.gz MFRFNPHGBXOWRT-JVOXIWMLSA-N -1 3 327.348 0.326 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000826235574 607774709 /nfs/dbraw/zinc/77/47/09/607774709.db2.gz MFRFNPHGBXOWRT-JVOXIWMLSA-N -1 3 327.348 0.326 20 50 ECGDHM O=C(NNC(=S)NC[C@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826445528 607533486 /nfs/dbraw/zinc/53/34/86/607533486.db2.gz XYYPDOQBAXJLMM-SECBINFHSA-N -1 3 347.404 0.012 20 50 ECGDHM O=C(NNC(=S)NC[C@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826445528 607533488 /nfs/dbraw/zinc/53/34/88/607533488.db2.gz XYYPDOQBAXJLMM-SECBINFHSA-N -1 3 347.404 0.012 20 50 ECGDHM COC[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000826150615 607537719 /nfs/dbraw/zinc/53/77/19/607537719.db2.gz IERLSEOQBHFHET-LBPRGKRZSA-N -1 3 345.363 0.236 20 50 ECGDHM COC[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000826150615 607537720 /nfs/dbraw/zinc/53/77/20/607537720.db2.gz IERLSEOQBHFHET-LBPRGKRZSA-N -1 3 345.363 0.236 20 50 ECGDHM CC(C)CONC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824270774 607560556 /nfs/dbraw/zinc/56/05/56/607560556.db2.gz GOWIWJUHYQDGBF-UHFFFAOYSA-N -1 3 349.351 0.164 20 50 ECGDHM CS(=O)(=O)c1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)o1 ZINC000826223867 607713726 /nfs/dbraw/zinc/71/37/26/607713726.db2.gz CWDDUSZUMUTRHI-UHFFFAOYSA-N -1 3 348.344 0.620 20 50 ECGDHM CS(=O)(=O)c1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)o1 ZINC000826223867 607713727 /nfs/dbraw/zinc/71/37/27/607713727.db2.gz CWDDUSZUMUTRHI-UHFFFAOYSA-N -1 3 348.344 0.620 20 50 ECGDHM CS(=O)(=O)c1ccccc1NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826223795 607754639 /nfs/dbraw/zinc/75/46/39/607754639.db2.gz AEEQTPBUHLYYPV-UHFFFAOYSA-N -1 3 347.360 0.355 20 50 ECGDHM CS(=O)(=O)c1ccccc1NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826223795 607754640 /nfs/dbraw/zinc/75/46/40/607754640.db2.gz AEEQTPBUHLYYPV-UHFFFAOYSA-N -1 3 347.360 0.355 20 50 ECGDHM C[C@@H](CO)CCCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824432840 607995494 /nfs/dbraw/zinc/99/54/94/607995494.db2.gz ABNVUZZOOMDDLU-SNVBAGLBSA-N -1 3 347.379 0.219 20 50 ECGDHM C[C@@H](CO)CCCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824432840 607995495 /nfs/dbraw/zinc/99/54/95/607995495.db2.gz ABNVUZZOOMDDLU-SNVBAGLBSA-N -1 3 347.379 0.219 20 50 ECGDHM C[C@@H]1CCCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824936314 608320097 /nfs/dbraw/zinc/32/00/97/608320097.db2.gz FZPQHNIGJRYLAY-SNVBAGLBSA-N -1 3 329.364 0.953 20 50 ECGDHM C[C@@H]1CCCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824936314 608320099 /nfs/dbraw/zinc/32/00/99/608320099.db2.gz FZPQHNIGJRYLAY-SNVBAGLBSA-N -1 3 329.364 0.953 20 50 ECGDHM CNC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826051773 609302777 /nfs/dbraw/zinc/30/27/77/609302777.db2.gz NHDJUBZLUJTNDI-GHXNOFRVSA-N -1 3 334.343 0.920 20 50 ECGDHM CNC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826051773 609302779 /nfs/dbraw/zinc/30/27/79/609302779.db2.gz NHDJUBZLUJTNDI-GHXNOFRVSA-N -1 3 334.343 0.920 20 50 ECGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccncc1[N+](=O)[O-] ZINC000826448182 609356970 /nfs/dbraw/zinc/35/69/70/609356970.db2.gz LARCEKYLBQHFFE-UHFFFAOYSA-N -1 3 341.291 0.740 20 50 ECGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccncc1[N+](=O)[O-] ZINC000826448182 609356972 /nfs/dbraw/zinc/35/69/72/609356972.db2.gz LARCEKYLBQHFFE-UHFFFAOYSA-N -1 3 341.291 0.740 20 50 ECGDHM O=C(COc1ccccc1F)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826419295 609409806 /nfs/dbraw/zinc/40/98/06/609409806.db2.gz RJQYLQZWECMJMH-UHFFFAOYSA-N -1 3 345.294 0.174 20 50 ECGDHM O=C(COc1ccccc1F)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826419295 609409808 /nfs/dbraw/zinc/40/98/08/609409808.db2.gz RJQYLQZWECMJMH-UHFFFAOYSA-N -1 3 345.294 0.174 20 50 ECGDHM O=C(CNC(=O)c1ccccn1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826412138 607342132 /nfs/dbraw/zinc/34/21/32/607342132.db2.gz CQQOMDGQMQLQJX-UHFFFAOYSA-N -1 3 338.331 0.135 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)CCO)cc(-c2nnn[n-]2)n1C ZINC000826235468 607512282 /nfs/dbraw/zinc/51/22/82/607512282.db2.gz KLVMXRGUTVMWBZ-TZZQWBKVSA-N -1 3 329.364 0.308 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)CCO)cc(-c2nn[n-]n2)n1C ZINC000826235468 607512283 /nfs/dbraw/zinc/51/22/83/607512283.db2.gz KLVMXRGUTVMWBZ-TZZQWBKVSA-N -1 3 329.364 0.308 20 50 ECGDHM CC(C)CONC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000824272499 607560821 /nfs/dbraw/zinc/56/08/21/607560821.db2.gz ZARGVQLETFHJJF-UHFFFAOYSA-N -1 3 349.351 0.164 20 50 ECGDHM CC(C)CONC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000824272499 607560823 /nfs/dbraw/zinc/56/08/23/607560823.db2.gz ZARGVQLETFHJJF-UHFFFAOYSA-N -1 3 349.351 0.164 20 50 ECGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccc(-n2cnnn2)c1 ZINC000826448877 607723720 /nfs/dbraw/zinc/72/37/20/607723720.db2.gz QFCWTHKVTGTTKT-UHFFFAOYSA-N -1 3 348.330 0.599 20 50 ECGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccc(-n2cnnn2)c1 ZINC000826448877 607723721 /nfs/dbraw/zinc/72/37/21/607723721.db2.gz QFCWTHKVTGTTKT-UHFFFAOYSA-N -1 3 348.330 0.599 20 50 ECGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccnc(-n2cncn2)c1 ZINC000826448785 607727062 /nfs/dbraw/zinc/72/70/62/607727062.db2.gz LTCDKKZDFYJFJN-UHFFFAOYSA-N -1 3 348.330 0.599 20 50 ECGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccnc(-n2cncn2)c1 ZINC000826448785 607727064 /nfs/dbraw/zinc/72/70/64/607727064.db2.gz LTCDKKZDFYJFJN-UHFFFAOYSA-N -1 3 348.330 0.599 20 50 ECGDHM CC(C)CN1C[C@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000824261650 607730783 /nfs/dbraw/zinc/73/07/83/607730783.db2.gz NXBQBQNZBWZZEZ-GFCCVEGCSA-N -1 3 343.391 0.814 20 50 ECGDHM CC(C)CN1C[C@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000824261650 607730785 /nfs/dbraw/zinc/73/07/85/607730785.db2.gz NXBQBQNZBWZZEZ-GFCCVEGCSA-N -1 3 343.391 0.814 20 50 ECGDHM CC(C)C(=O)NCCCNC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824178312 607959343 /nfs/dbraw/zinc/95/93/43/607959343.db2.gz PNTMZERGXBSDRY-UHFFFAOYSA-N -1 3 346.395 0.655 20 50 ECGDHM CC(C)C(=O)NCCCNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824178312 607959344 /nfs/dbraw/zinc/95/93/44/607959344.db2.gz PNTMZERGXBSDRY-UHFFFAOYSA-N -1 3 346.395 0.655 20 50 ECGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)NOC1CCCC1 ZINC000826444943 608414118 /nfs/dbraw/zinc/41/41/18/608414118.db2.gz ACBSSOAXEWSTDP-UHFFFAOYSA-N -1 3 331.336 0.685 20 50 ECGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)NOC1CCCC1 ZINC000826444943 608414116 /nfs/dbraw/zinc/41/41/16/608414116.db2.gz ACBSSOAXEWSTDP-UHFFFAOYSA-N -1 3 331.336 0.685 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)NCc2ncccn2)cc(-c2nnn[n-]2)n1C ZINC000826235043 608813489 /nfs/dbraw/zinc/81/34/89/608813489.db2.gz AHXVAXJGEUQKJS-WUXMJOGZSA-N -1 3 349.358 0.527 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)NCc2ncccn2)cc(-c2nn[n-]n2)n1C ZINC000826235043 608813490 /nfs/dbraw/zinc/81/34/90/608813490.db2.gz AHXVAXJGEUQKJS-WUXMJOGZSA-N -1 3 349.358 0.527 20 50 ECGDHM N#Cc1ccc(NNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826385537 609254345 /nfs/dbraw/zinc/25/43/45/609254345.db2.gz QDRNKLMOBDHLNC-CQSZACIVSA-N -1 3 335.327 0.915 20 50 ECGDHM N#Cc1ccc(NNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826385537 609254346 /nfs/dbraw/zinc/25/43/46/609254346.db2.gz QDRNKLMOBDHLNC-CQSZACIVSA-N -1 3 335.327 0.915 20 50 ECGDHM COc1cccc(NNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC000826216516 609262762 /nfs/dbraw/zinc/26/27/62/609262762.db2.gz CBLSTKYPCYANCY-UHFFFAOYSA-N -1 3 341.335 0.221 20 50 ECGDHM COc1cccc(NNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC000826216516 609262763 /nfs/dbraw/zinc/26/27/63/609262763.db2.gz CBLSTKYPCYANCY-UHFFFAOYSA-N -1 3 341.335 0.221 20 50 ECGDHM CC(=NNC(=O)[C@@H]1COCCO1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948543 609276658 /nfs/dbraw/zinc/27/66/58/609276658.db2.gz RCKJXHRZGOSIGF-LBPRGKRZSA-N -1 3 334.311 0.261 20 50 ECGDHM CC(=NNC(=O)[C@@H]1COCCO1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948543 609276659 /nfs/dbraw/zinc/27/66/59/609276659.db2.gz RCKJXHRZGOSIGF-LBPRGKRZSA-N -1 3 334.311 0.261 20 50 ECGDHM COC(=O)CNC(=O)NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000826138462 609523831 /nfs/dbraw/zinc/52/38/31/609523831.db2.gz VZEVJYAVEVGKPK-UHFFFAOYSA-N -1 3 342.319 0.154 20 50 ECGDHM COC(=O)CNC(=O)NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000826138462 609523832 /nfs/dbraw/zinc/52/38/32/609523832.db2.gz VZEVJYAVEVGKPK-UHFFFAOYSA-N -1 3 342.319 0.154 20 50 ECGDHM Cc1n[nH]c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000826233685 607338162 /nfs/dbraw/zinc/33/81/62/607338162.db2.gz RLVRNECPLXBUMT-UHFFFAOYSA-N -1 3 329.280 0.563 20 50 ECGDHM CNC(=O)c1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826067106 607353863 /nfs/dbraw/zinc/35/38/63/607353863.db2.gz BHHHFHQBXNJTDV-UHFFFAOYSA-N -1 3 338.331 0.378 20 50 ECGDHM CSCCNC(=S)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826229244 607783538 /nfs/dbraw/zinc/78/35/38/607783538.db2.gz WCNQVZIZOAFJOG-UHFFFAOYSA-N -1 3 337.434 0.339 20 50 ECGDHM CSCCNC(=S)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826229244 607783539 /nfs/dbraw/zinc/78/35/39/607783539.db2.gz WCNQVZIZOAFJOG-UHFFFAOYSA-N -1 3 337.434 0.339 20 50 ECGDHM CC(=O)N1CSC[C@H]1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823989267 607712995 /nfs/dbraw/zinc/71/29/95/607712995.db2.gz RMVDVVMKBFDSLV-NSHDSACASA-N -1 3 333.377 0.231 20 50 ECGDHM CC(=O)N1CSC[C@H]1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823989267 607712998 /nfs/dbraw/zinc/71/29/98/607712998.db2.gz RMVDVVMKBFDSLV-NSHDSACASA-N -1 3 333.377 0.231 20 50 ECGDHM O=C([O-])NCCCC(=O)NNC(=O)[C@@H]1CCCN1C1CCCC1 ZINC000834230239 605974929 /nfs/dbraw/zinc/97/49/29/605974929.db2.gz AVPIAPBSLOBHNK-LBPRGKRZSA-N -1 3 326.397 0.589 20 50 ECGDHM O=C(NNC(=O)c1cc[nH]c(=O)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277631 606718782 /nfs/dbraw/zinc/71/87/82/606718782.db2.gz SLPHRQBTCYPLFO-UHFFFAOYSA-N -1 3 325.288 0.042 20 50 ECGDHM O=C(NNC(=O)c1cc[nH]c(=O)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277631 606718783 /nfs/dbraw/zinc/71/87/83/606718783.db2.gz SLPHRQBTCYPLFO-UHFFFAOYSA-N -1 3 325.288 0.042 20 50 ECGDHM C[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1=O ZINC000824866638 608120449 /nfs/dbraw/zinc/12/04/49/608120449.db2.gz NBAPXOSOBXGVRV-SKDRFNHKSA-N -1 3 342.359 0.633 20 50 ECGDHM C[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1=O ZINC000824866638 608120450 /nfs/dbraw/zinc/12/04/50/608120450.db2.gz NBAPXOSOBXGVRV-SKDRFNHKSA-N -1 3 342.359 0.633 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N2C[C@H](C)[C@H](O)C2)cc(-c2nnn[n-]2)n1C ZINC000826235616 608637343 /nfs/dbraw/zinc/63/73/43/608637343.db2.gz NGKYROUFBSEGJN-QJSRDBCBSA-N -1 3 341.375 0.260 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N2C[C@H](C)[C@H](O)C2)cc(-c2nn[n-]n2)n1C ZINC000826235616 608637346 /nfs/dbraw/zinc/63/73/46/608637346.db2.gz NGKYROUFBSEGJN-QJSRDBCBSA-N -1 3 341.375 0.260 20 50 ECGDHM CCNC(=O)N(C)NC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000825470650 609165827 /nfs/dbraw/zinc/16/58/27/609165827.db2.gz GJBBMPHRVBDMSN-UHFFFAOYSA-N -1 3 347.379 0.717 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)NN2CCCC2=O)cc(-c2nn[n-]n2)n1C ZINC000826235901 609267568 /nfs/dbraw/zinc/26/75/68/609267568.db2.gz UHHCWNWQDNJKGZ-WDZFZDKYSA-N -1 3 340.347 0.074 20 50 ECGDHM O=C(NNc1ccnc(F)c1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826449172 609301324 /nfs/dbraw/zinc/30/13/24/609301324.db2.gz FLHOYNSXRQJMEK-GFCCVEGCSA-N -1 3 329.295 0.578 20 50 ECGDHM O=C(NNc1ccnc(F)c1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826449172 609301327 /nfs/dbraw/zinc/30/13/27/609301327.db2.gz FLHOYNSXRQJMEK-GFCCVEGCSA-N -1 3 329.295 0.578 20 50 ECGDHM Cc1nnc2ccc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)cn12 ZINC000826337360 607334181 /nfs/dbraw/zinc/33/41/81/607334181.db2.gz LVSVQZGEUKYQOI-UHFFFAOYSA-N -1 3 335.331 0.975 20 50 ECGDHM Cc1nnc2ccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cn12 ZINC000826337360 607334183 /nfs/dbraw/zinc/33/41/83/607334183.db2.gz LVSVQZGEUKYQOI-UHFFFAOYSA-N -1 3 335.331 0.975 20 50 ECGDHM NC(=O)N1CCC[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826392206 607340984 /nfs/dbraw/zinc/34/09/84/607340984.db2.gz QHTAPMDHDWONIU-JTQLQIEISA-N -1 3 330.352 0.101 20 50 ECGDHM O=C(NNC(=O)c1ccc(F)nc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277853 599699567 /nfs/dbraw/zinc/69/95/67/599699567.db2.gz YZTSROJXGKRBNA-UHFFFAOYSA-N -1 3 327.279 0.476 20 50 ECGDHM C[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)N1CCSCC1 ZINC000824039644 607569990 /nfs/dbraw/zinc/56/99/90/607569990.db2.gz GIIZZDRKHOMBQJ-JTQLQIEISA-N -1 3 333.421 0.747 20 50 ECGDHM C[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)N1CCSCC1 ZINC000824039644 607569992 /nfs/dbraw/zinc/56/99/92/607569992.db2.gz GIIZZDRKHOMBQJ-JTQLQIEISA-N -1 3 333.421 0.747 20 50 ECGDHM CCc1ccc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000825705193 607682348 /nfs/dbraw/zinc/68/23/48/607682348.db2.gz YLNLLOHCEPOBAT-UHFFFAOYSA-N -1 3 325.332 0.832 20 50 ECGDHM CCc1ccc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000825705193 607682350 /nfs/dbraw/zinc/68/23/50/607682350.db2.gz YLNLLOHCEPOBAT-UHFFFAOYSA-N -1 3 325.332 0.832 20 50 ECGDHM C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824728746 607720526 /nfs/dbraw/zinc/72/05/26/607720526.db2.gz HANWLASCMFYQJX-MFKMUULPSA-N -1 3 332.364 0.894 20 50 ECGDHM C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824728746 607720527 /nfs/dbraw/zinc/72/05/27/607720527.db2.gz HANWLASCMFYQJX-MFKMUULPSA-N -1 3 332.364 0.894 20 50 ECGDHM O=C(CSc1cccc[n+]1[O-])NNc1cccc(-c2nnn[n-]2)c1 ZINC000826420963 607722790 /nfs/dbraw/zinc/72/27/90/607722790.db2.gz LHSKWYOSYZCMDJ-UHFFFAOYSA-N -1 3 343.372 0.736 20 50 ECGDHM O=C(CSc1cccc[n+]1[O-])NNc1cccc(-c2nn[n-]n2)c1 ZINC000826420963 607722792 /nfs/dbraw/zinc/72/27/92/607722792.db2.gz LHSKWYOSYZCMDJ-UHFFFAOYSA-N -1 3 343.372 0.736 20 50 ECGDHM CCCC[C@@H](NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC000825267989 608098487 /nfs/dbraw/zinc/09/84/87/608098487.db2.gz PNNVJFDUOFJYDJ-GFCCVEGCSA-N -1 3 332.364 0.833 20 50 ECGDHM CCCC[C@@H](NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC000825267989 608098488 /nfs/dbraw/zinc/09/84/88/608098488.db2.gz PNNVJFDUOFJYDJ-GFCCVEGCSA-N -1 3 332.364 0.833 20 50 ECGDHM CCN(CC)c1cc[nH]c(=NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)n1 ZINC000825416856 608185283 /nfs/dbraw/zinc/18/52/83/608185283.db2.gz MZCRPMXDDNDCSS-UHFFFAOYSA-N -1 3 342.367 0.588 20 50 ECGDHM CCN(CC)c1cc[nH]c(=NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)n1 ZINC000825416856 608185284 /nfs/dbraw/zinc/18/52/84/608185284.db2.gz MZCRPMXDDNDCSS-UHFFFAOYSA-N -1 3 342.367 0.588 20 50 ECGDHM Cc1nc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c(=O)[nH]c1C ZINC000826323966 608198889 /nfs/dbraw/zinc/19/88/89/608198889.db2.gz ZLWUQPMBDOWNDL-UHFFFAOYSA-N -1 3 326.320 0.324 20 50 ECGDHM Cc1nc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c(=O)[nH]c1C ZINC000826323966 608198891 /nfs/dbraw/zinc/19/88/91/608198891.db2.gz ZLWUQPMBDOWNDL-UHFFFAOYSA-N -1 3 326.320 0.324 20 50 ECGDHM CC(CCCCO)=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824400144 608317328 /nfs/dbraw/zinc/31/73/28/608317328.db2.gz ATTGRYVWOODZHV-UHFFFAOYSA-N -1 3 332.364 0.900 20 50 ECGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=C1CCCOCC1 ZINC000826417302 608884204 /nfs/dbraw/zinc/88/42/04/608884204.db2.gz MCEWNKXUMUPMGV-UHFFFAOYSA-N -1 3 330.348 0.918 20 50 ECGDHM CC(=NNC(=O)CO)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000823948474 609160091 /nfs/dbraw/zinc/16/00/91/609160091.db2.gz OIVQWFWSUFNCNK-UHFFFAOYSA-N -1 3 340.347 0.193 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N2CC(F)(F)C2)cc(-c2nnn[n-]2)n1C ZINC000826235902 609267220 /nfs/dbraw/zinc/26/72/20/609267220.db2.gz UHUOPHUKQGIIDY-KMKOMSMNSA-N -1 3 333.302 0.898 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N2CC(F)(F)C2)cc(-c2nn[n-]n2)n1C ZINC000826235902 609267221 /nfs/dbraw/zinc/26/72/21/609267221.db2.gz UHUOPHUKQGIIDY-KMKOMSMNSA-N -1 3 333.302 0.898 20 50 ECGDHM CN(C)c1cccc(C(=O)NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000825878755 609412767 /nfs/dbraw/zinc/41/27/67/609412767.db2.gz DHNQGVSMDXSIHT-UHFFFAOYSA-N -1 3 340.347 0.336 20 50 ECGDHM CN(C)c1cccc(C(=O)NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000825878755 609412768 /nfs/dbraw/zinc/41/27/68/609412768.db2.gz DHNQGVSMDXSIHT-UHFFFAOYSA-N -1 3 340.347 0.336 20 50 ECGDHM C[C@@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1F ZINC000824948030 609446036 /nfs/dbraw/zinc/44/60/36/609446036.db2.gz SIORHUQEMPAUQQ-SKDRFNHKSA-N -1 3 347.354 0.901 20 50 ECGDHM C[C@@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1F ZINC000824948030 609446038 /nfs/dbraw/zinc/44/60/38/609446038.db2.gz SIORHUQEMPAUQQ-SKDRFNHKSA-N -1 3 347.354 0.901 20 50 ECGDHM Cn1cc(C(N)=O)cc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826359436 607346040 /nfs/dbraw/zinc/34/60/40/607346040.db2.gz GYFLLSUXABWNLR-UHFFFAOYSA-N -1 3 326.320 0.061 20 50 ECGDHM CCCC[C@@H](NC(N)=O)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825267233 607337633 /nfs/dbraw/zinc/33/76/33/607337633.db2.gz JXTXJWSJXJNQJC-LLVKDONJSA-N -1 3 332.368 0.537 20 50 ECGDHM CCCC[C@@H](NC(N)=O)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825267233 607337635 /nfs/dbraw/zinc/33/76/35/607337635.db2.gz JXTXJWSJXJNQJC-LLVKDONJSA-N -1 3 332.368 0.537 20 50 ECGDHM Cc1nn(C)c(C)c1CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826333582 607342296 /nfs/dbraw/zinc/34/22/96/607342296.db2.gz NILMVFYVXBBESP-UHFFFAOYSA-N -1 3 326.364 0.903 20 50 ECGDHM CNC(=O)c1cccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826068676 607347901 /nfs/dbraw/zinc/34/79/01/607347901.db2.gz WBEDXTQXGUTWOX-UHFFFAOYSA-N -1 3 337.343 0.983 20 50 ECGDHM CCN(CC)C(=O)CCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825399259 607350078 /nfs/dbraw/zinc/35/00/78/607350078.db2.gz NRLYPAXMLHATTB-UHFFFAOYSA-N -1 3 331.380 0.958 20 50 ECGDHM O=C(Cn1cc([N+](=O)[O-])cn1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826424449 607354220 /nfs/dbraw/zinc/35/42/20/607354220.db2.gz MPOIBQVRHAESOP-UHFFFAOYSA-N -1 3 329.280 0.115 20 50 ECGDHM O=C(NNC(=O)c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826445095 607683815 /nfs/dbraw/zinc/68/38/15/607683815.db2.gz GRRPADJNXPZZBV-UHFFFAOYSA-N -1 3 331.723 0.923 20 50 ECGDHM O=C(NNC(=O)c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826445095 607683817 /nfs/dbraw/zinc/68/38/17/607683817.db2.gz GRRPADJNXPZZBV-UHFFFAOYSA-N -1 3 331.723 0.923 20 50 ECGDHM CC(C)(C)N1C[C@@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000824093264 607718265 /nfs/dbraw/zinc/71/82/65/607718265.db2.gz FIOIHRFTYNPXQD-NSHDSACASA-N -1 3 343.391 0.957 20 50 ECGDHM CC(C)(C)N1C[C@@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000824093264 607718266 /nfs/dbraw/zinc/71/82/66/607718266.db2.gz FIOIHRFTYNPXQD-NSHDSACASA-N -1 3 343.391 0.957 20 50 ECGDHM CCN(CC)C(=O)CCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825398996 607727935 /nfs/dbraw/zinc/72/79/35/607727935.db2.gz DTUSEWLTFBQTNB-UHFFFAOYSA-N -1 3 331.380 0.958 20 50 ECGDHM CCN(CC)C(=O)CCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825398996 607727937 /nfs/dbraw/zinc/72/79/37/607727937.db2.gz DTUSEWLTFBQTNB-UHFFFAOYSA-N -1 3 331.380 0.958 20 50 ECGDHM CCC(=O)N1CCC[C@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000825034961 607729393 /nfs/dbraw/zinc/72/93/93/607729393.db2.gz UYMPXKQNJPAHLH-LBPRGKRZSA-N -1 3 343.391 0.958 20 50 ECGDHM CCC(=O)N1CCC[C@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000825034961 607729395 /nfs/dbraw/zinc/72/93/95/607729395.db2.gz UYMPXKQNJPAHLH-LBPRGKRZSA-N -1 3 343.391 0.958 20 50 ECGDHM C[C@H](NC(=O)c1ccoc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824522997 607732925 /nfs/dbraw/zinc/73/29/25/607732925.db2.gz XIBRKWJAXASRPA-VIFPVBQESA-N -1 3 341.331 0.721 20 50 ECGDHM C[C@H](NC(=O)c1ccoc1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824522997 607732927 /nfs/dbraw/zinc/73/29/27/607732927.db2.gz XIBRKWJAXASRPA-VIFPVBQESA-N -1 3 341.331 0.721 20 50 ECGDHM Cc1c(CCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cnn1C ZINC000826236521 607995663 /nfs/dbraw/zinc/99/56/63/607995663.db2.gz PZZFHYQTTHBAEK-UHFFFAOYSA-N -1 3 326.364 0.985 20 50 ECGDHM CC[C@H](CSC)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825127466 608412751 /nfs/dbraw/zinc/41/27/51/608412751.db2.gz MULTWXRWQNQILG-LLVKDONJSA-N -1 3 349.420 0.952 20 50 ECGDHM CC[C@H](CSC)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825127466 608412752 /nfs/dbraw/zinc/41/27/52/608412752.db2.gz MULTWXRWQNQILG-LLVKDONJSA-N -1 3 349.420 0.952 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CO)C(C)C)cc(-c2nnn[n-]2)n1C ZINC000826235154 608863480 /nfs/dbraw/zinc/86/34/80/608863480.db2.gz DEAMEFDXSMWJFU-QWGHSUKYSA-N -1 3 343.391 0.554 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CO)C(C)C)cc(-c2nn[n-]n2)n1C ZINC000826235154 608863482 /nfs/dbraw/zinc/86/34/82/608863482.db2.gz DEAMEFDXSMWJFU-QWGHSUKYSA-N -1 3 343.391 0.554 20 50 ECGDHM O=C(NNc1ccc(C(F)(F)F)nn1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826447764 609230520 /nfs/dbraw/zinc/23/05/20/609230520.db2.gz VABJRAOLEBQXIZ-UHFFFAOYSA-N -1 3 339.241 0.761 20 50 ECGDHM N#Cc1ccc([C@@H](O)C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826385127 609254205 /nfs/dbraw/zinc/25/42/05/609254205.db2.gz YHSIDIPHCSRUCR-CQSZACIVSA-N -1 3 335.327 0.915 20 50 ECGDHM N#Cc1ccc([C@@H](O)C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826385127 609254206 /nfs/dbraw/zinc/25/42/06/609254206.db2.gz YHSIDIPHCSRUCR-CQSZACIVSA-N -1 3 335.327 0.915 20 50 ECGDHM COCCC[C@@H](C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826155395 609316186 /nfs/dbraw/zinc/31/61/86/609316186.db2.gz OPVOGPQGZQJJBL-SNVBAGLBSA-N -1 3 332.364 0.690 20 50 ECGDHM COCCC[C@@H](C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826155395 609316188 /nfs/dbraw/zinc/31/61/88/609316188.db2.gz OPVOGPQGZQJJBL-SNVBAGLBSA-N -1 3 332.364 0.690 20 50 ECGDHM CC(C)(C)OCC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824119201 609363147 /nfs/dbraw/zinc/36/31/47/609363147.db2.gz CRGMHMKVZRXKHB-UHFFFAOYSA-N -1 3 348.363 0.208 20 50 ECGDHM Cc1nn(C)c(C)c1OCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826333273 607341991 /nfs/dbraw/zinc/34/19/91/607341991.db2.gz AVPNPRPWUUERBE-UHFFFAOYSA-N -1 3 342.363 0.739 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)CCO)cc(-c2nnn[n-]2)n1C ZINC000826235467 607512525 /nfs/dbraw/zinc/51/25/25/607512525.db2.gz KLVMXRGUTVMWBZ-TXEUWIOXSA-N -1 3 329.364 0.308 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)CCO)cc(-c2nn[n-]n2)n1C ZINC000826235467 607512526 /nfs/dbraw/zinc/51/25/26/607512526.db2.gz KLVMXRGUTVMWBZ-TXEUWIOXSA-N -1 3 329.364 0.308 20 50 ECGDHM CCOC(=O)C(C#N)=CNCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825486460 607527358 /nfs/dbraw/zinc/52/73/58/607527358.db2.gz SXWNPTZLMLFAFE-PKNBQFBNSA-N -1 3 328.332 0.935 20 50 ECGDHM CCOC(=O)C(C#N)=CNCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825486460 607527359 /nfs/dbraw/zinc/52/73/59/607527359.db2.gz SXWNPTZLMLFAFE-PKNBQFBNSA-N -1 3 328.332 0.935 20 50 ECGDHM O=C([O-])NCC(=O)NNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000834200875 605505930 /nfs/dbraw/zinc/50/59/30/605505930.db2.gz BPDRZDFHWOBHFJ-ZDUSSCGKSA-N -1 3 349.391 0.249 20 50 ECGDHM O=C([O-])NCCC(=O)NNC(=O)c1cccc(CN2CCCC2)c1 ZINC000834228837 605845640 /nfs/dbraw/zinc/84/56/40/605845640.db2.gz QOHYRWKRUDDAHJ-UHFFFAOYSA-N -1 3 334.376 0.701 20 50 ECGDHM O=C(NNc1nc(=O)c2ccccc2[nH]1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826449629 608180858 /nfs/dbraw/zinc/18/08/58/608180858.db2.gz BUSGOMMHQIIGCQ-UHFFFAOYSA-N -1 3 337.303 0.601 20 50 ECGDHM CC1(C)C[C@@H]1C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824795850 607792878 /nfs/dbraw/zinc/79/28/78/607792878.db2.gz GXDLKTLKIXJAEJ-LLVKDONJSA-N -1 3 330.348 0.439 20 50 ECGDHM Cc1nnc2n1C[C@@H](C(=O)NNc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826337390 607569392 /nfs/dbraw/zinc/56/93/92/607569392.db2.gz MZZOCLTYXRYKMY-NSHDSACASA-N -1 3 339.363 0.472 20 50 ECGDHM Cc1nnc2n1C[C@@H](C(=O)NNc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826337390 607569394 /nfs/dbraw/zinc/56/93/94/607569394.db2.gz MZZOCLTYXRYKMY-NSHDSACASA-N -1 3 339.363 0.472 20 50 ECGDHM O=C(NCCc1cccs1)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826439665 607709381 /nfs/dbraw/zinc/70/93/81/607709381.db2.gz DZFUGVOKFLSHSZ-UHFFFAOYSA-N -1 3 346.376 0.443 20 50 ECGDHM O=C(NCCc1cccs1)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826439665 607709383 /nfs/dbraw/zinc/70/93/83/607709383.db2.gz DZFUGVOKFLSHSZ-UHFFFAOYSA-N -1 3 346.376 0.443 20 50 ECGDHM CC(C)CC(=O)NCCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824228433 607732481 /nfs/dbraw/zinc/73/24/81/607732481.db2.gz IITMWUOPTILQIH-UHFFFAOYSA-N -1 3 331.380 0.862 20 50 ECGDHM CC(C)CC(=O)NCCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824228433 607732484 /nfs/dbraw/zinc/73/24/84/607732484.db2.gz IITMWUOPTILQIH-UHFFFAOYSA-N -1 3 331.380 0.862 20 50 ECGDHM O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823277561 606245711 /nfs/dbraw/zinc/24/57/11/606245711.db2.gz PZOHGLRLLDECMJ-UHFFFAOYSA-N -1 3 342.275 0.178 20 50 ECGDHM Cn1cncc1C=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826365639 607882836 /nfs/dbraw/zinc/88/28/36/607882836.db2.gz WQJMYVFHELNMIB-UHFFFAOYSA-N -1 3 326.320 0.129 20 50 ECGDHM Cn1cncc1C=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826365639 607882837 /nfs/dbraw/zinc/88/28/37/607882837.db2.gz WQJMYVFHELNMIB-UHFFFAOYSA-N -1 3 326.320 0.129 20 50 ECGDHM CC1=C(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCCO1 ZINC000824852350 607889369 /nfs/dbraw/zinc/88/93/69/607889369.db2.gz LYYVOUVEUUZCLA-UHFFFAOYSA-N -1 3 328.332 0.712 20 50 ECGDHM CC1=C(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCCO1 ZINC000824852350 607889370 /nfs/dbraw/zinc/88/93/70/607889370.db2.gz LYYVOUVEUUZCLA-UHFFFAOYSA-N -1 3 328.332 0.712 20 50 ECGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cn[nH]c1 ZINC000824499680 607939816 /nfs/dbraw/zinc/93/98/16/607939816.db2.gz RAHHHFVQZBTQHZ-QMMMGPOBSA-N -1 3 341.335 0.295 20 50 ECGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cn[nH]c1 ZINC000824499680 607939817 /nfs/dbraw/zinc/93/98/17/607939817.db2.gz RAHHHFVQZBTQHZ-QMMMGPOBSA-N -1 3 341.335 0.295 20 50 ECGDHM Cc1c(CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)cnn1C ZINC000826236475 607994792 /nfs/dbraw/zinc/99/47/92/607994792.db2.gz NVIAZYRPCZFNKM-UHFFFAOYSA-N -1 3 327.352 0.735 20 50 ECGDHM Cc1c(CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)cnn1C ZINC000826236475 607994793 /nfs/dbraw/zinc/99/47/93/607994793.db2.gz NVIAZYRPCZFNKM-UHFFFAOYSA-N -1 3 327.352 0.735 20 50 ECGDHM CCOC(=O)C(C)(C)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825485667 608106456 /nfs/dbraw/zinc/10/64/56/608106456.db2.gz IEPFRTGZOIDWSI-UHFFFAOYSA-N -1 3 346.347 0.217 20 50 ECGDHM CCOC(=O)C(C)(C)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825485667 608106457 /nfs/dbraw/zinc/10/64/57/608106457.db2.gz IEPFRTGZOIDWSI-UHFFFAOYSA-N -1 3 346.347 0.217 20 50 ECGDHM CN(NC(=O)CCCCOc1cccc(-c2nnn[n-]2)c1)C(N)=O ZINC000826004263 608874210 /nfs/dbraw/zinc/87/42/10/608874210.db2.gz QCINTCLRVNOWIM-UHFFFAOYSA-N -1 3 333.352 0.458 20 50 ECGDHM CN(NC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1)C(N)=O ZINC000826004263 608874213 /nfs/dbraw/zinc/87/42/13/608874213.db2.gz QCINTCLRVNOWIM-UHFFFAOYSA-N -1 3 333.352 0.458 20 50 ECGDHM CC(=NNC(=O)c1cnn(C)c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953563 609277187 /nfs/dbraw/zinc/27/71/87/609277187.db2.gz GXJJBFDTUQMGEF-UHFFFAOYSA-N -1 3 328.311 0.893 20 50 ECGDHM CC(=NNC(=O)c1cnn(C)c1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953563 609277189 /nfs/dbraw/zinc/27/71/89/609277189.db2.gz GXJJBFDTUQMGEF-UHFFFAOYSA-N -1 3 328.311 0.893 20 50 ECGDHM O=C(NNC(=O)c1c[nH]c2ccccc12)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826445054 609413641 /nfs/dbraw/zinc/41/36/41/609413641.db2.gz FEIFUZGNBQVFCI-UHFFFAOYSA-N -1 3 336.315 0.751 20 50 ECGDHM O=C(NNC(=O)c1c[nH]c2ccccc12)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826445054 609413643 /nfs/dbraw/zinc/41/36/43/609413643.db2.gz FEIFUZGNBQVFCI-UHFFFAOYSA-N -1 3 336.315 0.751 20 50 ECGDHM C[C@@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1F ZINC000824950222 609443090 /nfs/dbraw/zinc/44/30/90/609443090.db2.gz ZYCMMBMPQXNWJN-BXKDBHETSA-N -1 3 347.354 0.901 20 50 ECGDHM C[C@@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1F ZINC000824950222 609443091 /nfs/dbraw/zinc/44/30/91/609443091.db2.gz ZYCMMBMPQXNWJN-BXKDBHETSA-N -1 3 347.354 0.901 20 50 ECGDHM NC(=O)N1CCC[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826392207 607340730 /nfs/dbraw/zinc/34/07/30/607340730.db2.gz QHTAPMDHDWONIU-SNVBAGLBSA-N -1 3 330.352 0.101 20 50 ECGDHM CC(C)(C)N1C[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000824094583 607343917 /nfs/dbraw/zinc/34/39/17/607343917.db2.gz ZAWFVKOEBHTNJM-LLVKDONJSA-N -1 3 343.391 0.957 20 50 ECGDHM O=C(CSc1cccc[n+]1[O-])NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826420976 607347251 /nfs/dbraw/zinc/34/72/51/607347251.db2.gz LSOJMAJJXMUOCS-UHFFFAOYSA-N -1 3 343.372 0.736 20 50 ECGDHM CCCC[C@@H](NC(N)=O)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825268376 607356179 /nfs/dbraw/zinc/35/61/79/607356179.db2.gz UIOMDWKHQYDQDY-LLVKDONJSA-N -1 3 332.368 0.537 20 50 ECGDHM O=C(NNC(=O)c1cccc2ncccc21)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823277739 606271457 /nfs/dbraw/zinc/27/14/57/606271457.db2.gz VPLHMMVZMBPXSA-UHFFFAOYSA-N -1 3 348.326 0.818 20 50 ECGDHM O=C(NNC(=O)c1cccc2ncccc21)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823277739 606271459 /nfs/dbraw/zinc/27/14/59/606271459.db2.gz VPLHMMVZMBPXSA-UHFFFAOYSA-N -1 3 348.326 0.818 20 50 ECGDHM C[C@@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC000824039673 607893555 /nfs/dbraw/zinc/89/35/55/607893555.db2.gz GPNXEGQAXXBJPX-SNVBAGLBSA-N -1 3 344.375 0.690 20 50 ECGDHM C[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC000824039673 607893556 /nfs/dbraw/zinc/89/35/56/607893556.db2.gz GPNXEGQAXXBJPX-SNVBAGLBSA-N -1 3 344.375 0.690 20 50 ECGDHM CC[C@@H](CCO)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825115247 607907697 /nfs/dbraw/zinc/90/76/97/607907697.db2.gz VSQFENPROBMYCW-WHGQRRHOSA-N -1 3 343.391 0.698 20 50 ECGDHM CC[C@@H](CCO)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825115247 607907698 /nfs/dbraw/zinc/90/76/98/607907698.db2.gz VSQFENPROBMYCW-WHGQRRHOSA-N -1 3 343.391 0.698 20 50 ECGDHM CN(C)c1nccc(C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825887636 608388431 /nfs/dbraw/zinc/38/84/31/608388431.db2.gz JJVCDVCWURHEET-UHFFFAOYSA-N -1 3 337.347 0.487 20 50 ECGDHM CN(C)c1nccc(C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825887636 608388433 /nfs/dbraw/zinc/38/84/33/608388433.db2.gz JJVCDVCWURHEET-UHFFFAOYSA-N -1 3 337.347 0.487 20 50 ECGDHM CC(C)(C)OC(=O)NNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824113832 609182699 /nfs/dbraw/zinc/18/26/99/609182699.db2.gz FKIWHLKCNTUYSD-JTQLQIEISA-N -1 3 334.336 0.456 20 50 ECGDHM CC(C)(C)OC(=O)NNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824113832 609182700 /nfs/dbraw/zinc/18/27/00/609182700.db2.gz FKIWHLKCNTUYSD-JTQLQIEISA-N -1 3 334.336 0.456 20 50 ECGDHM N#CC1=CCN(S(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000826381064 609223053 /nfs/dbraw/zinc/22/30/53/609223053.db2.gz WLUMIOKZEUSZPC-UHFFFAOYSA-N -1 3 334.336 0.850 20 50 ECGDHM CC(=NNC(=O)c1cnccn1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953641 609275363 /nfs/dbraw/zinc/27/53/63/609275363.db2.gz JXKYBRDWXZZSPG-UHFFFAOYSA-N -1 3 326.295 0.950 20 50 ECGDHM CC(=NNC(=O)c1cnccn1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953641 609275364 /nfs/dbraw/zinc/27/53/64/609275364.db2.gz JXKYBRDWXZZSPG-UHFFFAOYSA-N -1 3 326.295 0.950 20 50 ECGDHM CC(=NNC(=O)N1CCOCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948718 609275422 /nfs/dbraw/zinc/27/54/22/609275422.db2.gz VBACNQVYZGCMOV-UHFFFAOYSA-N -1 3 333.327 0.772 20 50 ECGDHM CC(=NNC(=O)N1CCOCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948718 609275423 /nfs/dbraw/zinc/27/54/23/609275423.db2.gz VBACNQVYZGCMOV-UHFFFAOYSA-N -1 3 333.327 0.772 20 50 ECGDHM Cn1cc(C=NNC(=O)C(F)F)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826359576 609451081 /nfs/dbraw/zinc/45/10/81/609451081.db2.gz KWUJIUUOFWNSHV-UHFFFAOYSA-N -1 3 346.301 0.982 20 50 ECGDHM Cn1cc(C=NNC(=O)C(F)F)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359576 609451082 /nfs/dbraw/zinc/45/10/82/609451082.db2.gz KWUJIUUOFWNSHV-UHFFFAOYSA-N -1 3 346.301 0.982 20 50 ECGDHM CS[C@H](C)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826225927 607757752 /nfs/dbraw/zinc/75/77/52/607757752.db2.gz NQTFOXGSXSKJKE-MRVPVSSYSA-N -1 3 335.393 0.562 20 50 ECGDHM CS[C@H](C)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826225927 607757753 /nfs/dbraw/zinc/75/77/53/607757753.db2.gz NQTFOXGSXSKJKE-MRVPVSSYSA-N -1 3 335.393 0.562 20 50 ECGDHM N#Cc1cc(Cl)nc(NNC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000826383988 608580004 /nfs/dbraw/zinc/58/00/04/608580004.db2.gz ARJJDVKQBMFNPV-UHFFFAOYSA-N -1 3 341.722 0.939 20 50 ECGDHM N#Cc1cc(Cl)nc(NNC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000826383988 608580005 /nfs/dbraw/zinc/58/00/05/608580005.db2.gz ARJJDVKQBMFNPV-UHFFFAOYSA-N -1 3 341.722 0.939 20 50 ECGDHM C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824892619 608759965 /nfs/dbraw/zinc/75/99/65/608759965.db2.gz KUVZYUOMQQYYSV-SKDRFNHKSA-N -1 3 345.363 0.378 20 50 ECGDHM C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824892619 608759967 /nfs/dbraw/zinc/75/99/67/608759967.db2.gz KUVZYUOMQQYYSV-SKDRFNHKSA-N -1 3 345.363 0.378 20 50 ECGDHM O=C(NNS(=O)(=O)CCC1CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826445474 608888300 /nfs/dbraw/zinc/88/83/00/608888300.db2.gz WBYYTKOTHXSIED-UHFFFAOYSA-N -1 3 336.377 0.231 20 50 ECGDHM O=C(NNC(=O)[C@@H]1[C@@H]2CCCO[C@H]12)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444457 609152418 /nfs/dbraw/zinc/15/24/18/609152418.db2.gz HHUKJXZQNFDPER-TUAOUCFPSA-N -1 3 328.332 0.053 20 50 ECGDHM O=C(NNC(=O)[C@@H]1[C@@H]2CCCO[C@H]12)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444457 609152420 /nfs/dbraw/zinc/15/24/20/609152420.db2.gz HHUKJXZQNFDPER-TUAOUCFPSA-N -1 3 328.332 0.053 20 50 ECGDHM COc1cccc(NNC(=O)COc2ccccc2-c2nnn[n-]2)n1 ZINC000826216525 609174006 /nfs/dbraw/zinc/17/40/06/609174006.db2.gz CLHGNFKEPOARAH-UHFFFAOYSA-N -1 3 341.331 0.792 20 50 ECGDHM COc1cccc(NNC(=O)COc2ccccc2-c2nn[n-]n2)n1 ZINC000826216525 609174007 /nfs/dbraw/zinc/17/40/07/609174007.db2.gz CLHGNFKEPOARAH-UHFFFAOYSA-N -1 3 341.331 0.792 20 50 ECGDHM C[C@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1F ZINC000824950226 609443819 /nfs/dbraw/zinc/44/38/19/609443819.db2.gz ZYCMMBMPQXNWJN-JOYOIKCWSA-N -1 3 347.354 0.901 20 50 ECGDHM C[C@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1F ZINC000824950226 609443821 /nfs/dbraw/zinc/44/38/21/609443821.db2.gz ZYCMMBMPQXNWJN-JOYOIKCWSA-N -1 3 347.354 0.901 20 50 ECGDHM CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825184708 609545156 /nfs/dbraw/zinc/54/51/56/609545156.db2.gz YLHVVMWXCOEWAA-QWHCGFSZSA-N -1 3 344.375 0.833 20 50 ECGDHM CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825184708 609545157 /nfs/dbraw/zinc/54/51/57/609545157.db2.gz YLHVVMWXCOEWAA-QWHCGFSZSA-N -1 3 344.375 0.833 20 50 ECGDHM COc1ccc(CNC(=O)NN=c2nccc[nH]2)cc1-c1nnn[n-]1 ZINC000826200308 607626899 /nfs/dbraw/zinc/62/68/99/607626899.db2.gz JPDJRESFORNWGX-UHFFFAOYSA-N -1 3 341.335 0.492 20 50 ECGDHM COc1ccc(CNC(=O)NN=c2nccc[nH]2)cc1-c1nn[n-]n1 ZINC000826200308 607626900 /nfs/dbraw/zinc/62/69/00/607626900.db2.gz JPDJRESFORNWGX-UHFFFAOYSA-N -1 3 341.335 0.492 20 50 ECGDHM CC(C)(C)C(=O)NCCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824064779 607725163 /nfs/dbraw/zinc/72/51/63/607725163.db2.gz MIUDVZBFMZFBMF-UHFFFAOYSA-N -1 3 331.380 0.862 20 50 ECGDHM CC(C)(C)C(=O)NCCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824064779 607725165 /nfs/dbraw/zinc/72/51/65/607725165.db2.gz MIUDVZBFMZFBMF-UHFFFAOYSA-N -1 3 331.380 0.862 20 50 ECGDHM Cc1ccccc1CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826307201 607753962 /nfs/dbraw/zinc/75/39/62/607753962.db2.gz YQHQHYAQVIAMGK-UHFFFAOYSA-N -1 3 325.332 0.507 20 50 ECGDHM Cc1ccccc1CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826307201 607753963 /nfs/dbraw/zinc/75/39/63/607753963.db2.gz YQHQHYAQVIAMGK-UHFFFAOYSA-N -1 3 325.332 0.507 20 50 ECGDHM O=C([O-])NCC(=O)NNC(=O)N[C@@H](CN1CCCC1)c1ccccc1 ZINC000834201672 605504233 /nfs/dbraw/zinc/50/42/33/605504233.db2.gz IZSJWSHYNMVNPV-ZDUSSCGKSA-N -1 3 349.391 0.422 20 50 ECGDHM CCOC(=O)C(C)(C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825485528 608097042 /nfs/dbraw/zinc/09/70/42/608097042.db2.gz GUZHSLFPRYDKDP-UHFFFAOYSA-N -1 3 346.347 0.217 20 50 ECGDHM CCOC(=O)C(C)(C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825485528 608097043 /nfs/dbraw/zinc/09/70/43/608097043.db2.gz GUZHSLFPRYDKDP-UHFFFAOYSA-N -1 3 346.347 0.217 20 50 ECGDHM C[C@H]1C[C@@H](C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1=O ZINC000824866635 608120441 /nfs/dbraw/zinc/12/04/41/608120441.db2.gz NBAPXOSOBXGVRV-CABZTGNLSA-N -1 3 342.359 0.633 20 50 ECGDHM C[C@H]1C[C@@H](C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1=O ZINC000824866635 608120442 /nfs/dbraw/zinc/12/04/42/608120442.db2.gz NBAPXOSOBXGVRV-CABZTGNLSA-N -1 3 342.359 0.633 20 50 ECGDHM CC(=NNC(=O)[C@@H]1COCCO1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948084 609160336 /nfs/dbraw/zinc/16/03/36/609160336.db2.gz CPTXXNAQWFCTHW-LBPRGKRZSA-N -1 3 334.311 0.261 20 50 ECGDHM CC(=NNC(=O)[C@@H]1COCCO1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948084 609160338 /nfs/dbraw/zinc/16/03/38/609160338.db2.gz CPTXXNAQWFCTHW-LBPRGKRZSA-N -1 3 334.311 0.261 20 50 ECGDHM CCNC(=O)N(C)NC(=O)[C@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000825471602 609166481 /nfs/dbraw/zinc/16/64/81/609166481.db2.gz YIRRRVTWXBAZMV-VIFPVBQESA-N -1 3 333.352 0.327 20 50 ECGDHM O=C(CCCNC(=O)C1CC1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406004 607344741 /nfs/dbraw/zinc/34/47/41/607344741.db2.gz CWMBJJZQSYQYSE-UHFFFAOYSA-N -1 3 329.364 0.616 20 50 ECGDHM CCNC(=O)C(C)(C)CNC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825466254 607515528 /nfs/dbraw/zinc/51/55/28/607515528.db2.gz XZMUCNGADOSSFF-UHFFFAOYSA-N -1 3 346.395 0.655 20 50 ECGDHM CCNC(=O)C(C)(C)CNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825466254 607515529 /nfs/dbraw/zinc/51/55/29/607515529.db2.gz XZMUCNGADOSSFF-UHFFFAOYSA-N -1 3 346.395 0.655 20 50 ECGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(-n2cnnn2)cc1 ZINC000826449038 607712870 /nfs/dbraw/zinc/71/28/70/607712870.db2.gz YRJFWFCMVZOGAM-UHFFFAOYSA-N -1 3 348.330 0.599 20 50 ECGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(-n2cnnn2)cc1 ZINC000826449038 607712872 /nfs/dbraw/zinc/71/28/72/607712872.db2.gz YRJFWFCMVZOGAM-UHFFFAOYSA-N -1 3 348.330 0.599 20 50 ECGDHM Cc1ccnc2nc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)nn21 ZINC000826314597 607716001 /nfs/dbraw/zinc/71/60/01/607716001.db2.gz DMPSDYMFLOTSHW-UHFFFAOYSA-N -1 3 336.319 0.370 20 50 ECGDHM Cc1ccnc2nc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)nn21 ZINC000826314597 607716002 /nfs/dbraw/zinc/71/60/02/607716002.db2.gz DMPSDYMFLOTSHW-UHFFFAOYSA-N -1 3 336.319 0.370 20 50 ECGDHM CC(=O)N1CCC[C@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000823972715 607716398 /nfs/dbraw/zinc/71/63/98/607716398.db2.gz FQCZAIMMXIOMKG-LBPRGKRZSA-N -1 3 329.364 0.568 20 50 ECGDHM CC(=O)N1CCC[C@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000823972715 607716400 /nfs/dbraw/zinc/71/64/00/607716400.db2.gz FQCZAIMMXIOMKG-LBPRGKRZSA-N -1 3 329.364 0.568 20 50 ECGDHM COc1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c(C)nn1C ZINC000826166733 607716797 /nfs/dbraw/zinc/71/67/97/607716797.db2.gz YDGPTNGPQMINBB-UHFFFAOYSA-N -1 3 328.336 0.674 20 50 ECGDHM COc1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c(C)nn1C ZINC000826166733 607716798 /nfs/dbraw/zinc/71/67/98/607716798.db2.gz YDGPTNGPQMINBB-UHFFFAOYSA-N -1 3 328.336 0.674 20 50 ECGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@]12CCC(=O)N1CCS2 ZINC000826480233 607723444 /nfs/dbraw/zinc/72/34/44/607723444.db2.gz VINPNFIHLTYIGW-CQSZACIVSA-N -1 3 345.388 0.375 20 50 ECGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@]12CCC(=O)N1CCS2 ZINC000826480233 607723446 /nfs/dbraw/zinc/72/34/46/607723446.db2.gz VINPNFIHLTYIGW-CQSZACIVSA-N -1 3 345.388 0.375 20 50 ECGDHM Cc1cccnc1C(=O)NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000826308361 607783347 /nfs/dbraw/zinc/78/33/47/607783347.db2.gz VZSRWWTXVYGGEB-UHFFFAOYSA-N -1 3 347.342 0.982 20 50 ECGDHM Cc1cccnc1C(=O)NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000826308361 607783348 /nfs/dbraw/zinc/78/33/48/607783348.db2.gz VZSRWWTXVYGGEB-UHFFFAOYSA-N -1 3 347.342 0.982 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@H](C)CO)cc(-c2nnn[n-]2)n1C ZINC000826235491 607941659 /nfs/dbraw/zinc/94/16/59/607941659.db2.gz KWSXCKNRRDBMTF-QSUZGKKNSA-N -1 3 343.391 0.554 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@H](C)CO)cc(-c2nn[n-]n2)n1C ZINC000826235491 607941660 /nfs/dbraw/zinc/94/16/60/607941660.db2.gz KWSXCKNRRDBMTF-QSUZGKKNSA-N -1 3 343.391 0.554 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@H](C)CO)cc(-c2nnn[n-]2)n1C ZINC000826235493 607941731 /nfs/dbraw/zinc/94/17/31/607941731.db2.gz KWSXCKNRRDBMTF-YZNUNNOVSA-N -1 3 343.391 0.554 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@H](C)CO)cc(-c2nn[n-]n2)n1C ZINC000826235493 607941732 /nfs/dbraw/zinc/94/17/32/607941732.db2.gz KWSXCKNRRDBMTF-YZNUNNOVSA-N -1 3 343.391 0.554 20 50 ECGDHM CCCC[C@@H](NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC ZINC000825265874 608098526 /nfs/dbraw/zinc/09/85/26/608098526.db2.gz CEUYIDQXVGPGOB-GFCCVEGCSA-N -1 3 332.364 0.833 20 50 ECGDHM CCCC[C@@H](NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC ZINC000825265874 608098527 /nfs/dbraw/zinc/09/85/27/608098527.db2.gz CEUYIDQXVGPGOB-GFCCVEGCSA-N -1 3 332.364 0.833 20 50 ECGDHM COC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826104354 608104027 /nfs/dbraw/zinc/10/40/27/608104027.db2.gz VGHHTHGATZEPLB-BVBCSLMJSA-N -1 3 344.331 0.525 20 50 ECGDHM COC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826104354 608104028 /nfs/dbraw/zinc/10/40/28/608104028.db2.gz VGHHTHGATZEPLB-BVBCSLMJSA-N -1 3 344.331 0.525 20 50 ECGDHM O=C(NNC(=O)N1CC[C@H](C2CC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444635 608112528 /nfs/dbraw/zinc/11/25/28/608112528.db2.gz OCMFNPMRHNWVCO-ZDUSSCGKSA-N -1 3 341.375 0.953 20 50 ECGDHM O=C(NNC(=O)N1CC[C@H](C2CC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444635 608112529 /nfs/dbraw/zinc/11/25/29/608112529.db2.gz OCMFNPMRHNWVCO-ZDUSSCGKSA-N -1 3 341.375 0.953 20 50 ECGDHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826061029 608260496 /nfs/dbraw/zinc/26/04/96/608260496.db2.gz YQQRZUQBPTUJIN-NEPJUHHUSA-N -1 3 344.379 0.408 20 50 ECGDHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826061029 608260498 /nfs/dbraw/zinc/26/04/98/608260498.db2.gz YQQRZUQBPTUJIN-NEPJUHHUSA-N -1 3 344.379 0.408 20 50 ECGDHM Cc1cc(C)[nH]c(=NNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)n1 ZINC000826266036 608814004 /nfs/dbraw/zinc/81/40/04/608814004.db2.gz ZKASQBLQOJIPPT-UHFFFAOYSA-N -1 3 329.328 0.156 20 50 ECGDHM N#Cc1ccc(NNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826385536 609254508 /nfs/dbraw/zinc/25/45/08/609254508.db2.gz QDRNKLMOBDHLNC-AWEZNQCLSA-N -1 3 335.327 0.915 20 50 ECGDHM N#Cc1ccc(NNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826385536 609254509 /nfs/dbraw/zinc/25/45/09/609254509.db2.gz QDRNKLMOBDHLNC-AWEZNQCLSA-N -1 3 335.327 0.915 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N2CCC(=O)CC2)cc(-c2nnn[n-]2)n1C ZINC000826235830 609423094 /nfs/dbraw/zinc/42/30/94/609423094.db2.gz SBZNYXUJGYNSMA-KPKJPENVSA-N -1 3 339.359 0.612 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N2CCC(=O)CC2)cc(-c2nn[n-]n2)n1C ZINC000826235830 609423096 /nfs/dbraw/zinc/42/30/96/609423096.db2.gz SBZNYXUJGYNSMA-KPKJPENVSA-N -1 3 339.359 0.612 20 50 ECGDHM C[C@@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1F ZINC000824948020 609445575 /nfs/dbraw/zinc/44/55/75/609445575.db2.gz SIORHUQEMPAUQQ-BXKDBHETSA-N -1 3 347.354 0.901 20 50 ECGDHM C[C@@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1F ZINC000824948020 609445576 /nfs/dbraw/zinc/44/55/76/609445576.db2.gz SIORHUQEMPAUQQ-BXKDBHETSA-N -1 3 347.354 0.901 20 50 ECGDHM O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000826447065 607341206 /nfs/dbraw/zinc/34/12/06/607341206.db2.gz LMVVWNYMLNCQKR-UHFFFAOYSA-N -1 3 349.310 0.507 20 50 ECGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@]12CCC(=O)N1CCS2 ZINC000826480322 607347381 /nfs/dbraw/zinc/34/73/81/607347381.db2.gz XLYDJDWGZFPKQW-CQSZACIVSA-N -1 3 345.388 0.375 20 50 ECGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(-n2ccnc2)nn1 ZINC000826447023 607352289 /nfs/dbraw/zinc/35/22/89/607352289.db2.gz KDQXYTGOLXGRQB-UHFFFAOYSA-N -1 3 348.330 0.599 20 50 ECGDHM NC(=O)c1csc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826393841 607354121 /nfs/dbraw/zinc/35/41/21/607354121.db2.gz LWYNPTKMCPXAKH-UHFFFAOYSA-N -1 3 329.345 0.784 20 50 ECGDHM Cc1nc(C)c(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)c(=O)[n-]1 ZINC000826324257 607349235 /nfs/dbraw/zinc/34/92/35/607349235.db2.gz KAQZOONCYYOFJY-UHFFFAOYSA-N -1 3 340.347 0.665 20 50 ECGDHM CCn1nc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1=O ZINC000825806729 607733156 /nfs/dbraw/zinc/73/31/56/607733156.db2.gz BNZNXYLBYVXUDM-UHFFFAOYSA-N -1 3 326.320 0.200 20 50 ECGDHM CCn1nc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1=O ZINC000825806729 607733158 /nfs/dbraw/zinc/73/31/58/607733158.db2.gz BNZNXYLBYVXUDM-UHFFFAOYSA-N -1 3 326.320 0.200 20 50 ECGDHM CC(C)(C(=O)[O-])[C@H](NCC(=O)NNC(=O)C1CC1)c1ccccc1 ZINC000833413437 605183003 /nfs/dbraw/zinc/18/30/03/605183003.db2.gz NAPBWXAYICMHNH-CQSZACIVSA-N -1 3 333.388 0.986 20 50 ECGDHM O=C(NNc1ncccc1[N+](=O)[O-])c1cc(-c2nnn[n-]2)cs1 ZINC000823284832 607054589 /nfs/dbraw/zinc/05/45/89/607054589.db2.gz KOVRKHIVSKIKTA-UHFFFAOYSA-N -1 3 332.305 0.988 20 50 ECGDHM O=C(NNc1ncccc1[N+](=O)[O-])c1cc(-c2nn[n-]n2)cs1 ZINC000823284832 607054590 /nfs/dbraw/zinc/05/45/90/607054590.db2.gz KOVRKHIVSKIKTA-UHFFFAOYSA-N -1 3 332.305 0.988 20 50 ECGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=CC1CCOCC1 ZINC000826417537 607883022 /nfs/dbraw/zinc/88/30/22/607883022.db2.gz VAUVEBPOEVHYRK-UHFFFAOYSA-N -1 3 330.348 0.774 20 50 ECGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=CC[C@@H]1CCOC1 ZINC000826419325 608227603 /nfs/dbraw/zinc/22/76/03/608227603.db2.gz SHCINTFGAJKTSM-LLVKDONJSA-N -1 3 330.348 0.774 20 50 ECGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=CC[C@@H]1CCOC1 ZINC000826419325 608227605 /nfs/dbraw/zinc/22/76/05/608227605.db2.gz SHCINTFGAJKTSM-LLVKDONJSA-N -1 3 330.348 0.774 20 50 ECGDHM COc1cccc(NNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826216598 609262656 /nfs/dbraw/zinc/26/26/56/609262656.db2.gz GMPGXEHEDXKZRU-CYBMUJFWSA-N -1 3 341.331 0.447 20 50 ECGDHM COc1cccc(NNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826216598 609262657 /nfs/dbraw/zinc/26/26/57/609262657.db2.gz GMPGXEHEDXKZRU-CYBMUJFWSA-N -1 3 341.331 0.447 20 50 ECGDHM O=C(NNC(=O)c1ccc(Cl)nc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826445580 609438210 /nfs/dbraw/zinc/43/82/10/609438210.db2.gz ZVOQDNVRIMYXAQ-UHFFFAOYSA-N -1 3 332.711 0.318 20 50 ECGDHM CC(C)C[C@H](CO)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824236533 609443737 /nfs/dbraw/zinc/44/37/37/609443737.db2.gz OYEYILGZKZZNSU-GFCCVEGCSA-N -1 3 347.379 0.218 20 50 ECGDHM CC(C)C[C@H](CO)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824236533 609443739 /nfs/dbraw/zinc/44/37/39/609443739.db2.gz OYEYILGZKZZNSU-GFCCVEGCSA-N -1 3 347.379 0.218 20 50 ECGDHM CC(C)CC(=O)NNC(=O)[C@H](C)N(CCC(=O)[O-])C1CCOCC1 ZINC000826754568 601049563 /nfs/dbraw/zinc/04/95/63/601049563.db2.gz PDNRHSRBNBCIDE-LBPRGKRZSA-N -1 3 343.424 0.524 20 50 ECGDHM COC[C@@](C)(CC(=O)[O-])NCC(=O)NNC(=O)c1ccc(C)cc1 ZINC000831572536 601489085 /nfs/dbraw/zinc/48/90/85/601489085.db2.gz BLTNKTGWKAIXJN-MRXNPFEDSA-N -1 3 337.376 0.225 20 50 ECGDHM O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826445273 607679893 /nfs/dbraw/zinc/67/98/93/607679893.db2.gz MZJRIJANZCCKSW-UHFFFAOYSA-N -1 3 342.275 0.178 20 50 ECGDHM O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)cn1 ZINC000826449085 607712722 /nfs/dbraw/zinc/71/27/22/607712722.db2.gz ASFZZATYFUEVNC-UHFFFAOYSA-N -1 3 326.276 0.927 20 50 ECGDHM O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826449085 607712724 /nfs/dbraw/zinc/71/27/24/607712724.db2.gz ASFZZATYFUEVNC-UHFFFAOYSA-N -1 3 326.276 0.927 20 50 ECGDHM Cc1ccc(C(=O)NNC(=O)CN[C@](C)(CNC(=O)[O-])C2CC2)cc1 ZINC000830224895 605168339 /nfs/dbraw/zinc/16/83/39/605168339.db2.gz CIPVOLJNOGGIAF-QGZVFWFLSA-N -1 3 348.403 0.782 20 50 ECGDHM COCC(C)(C)C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826147755 607880107 /nfs/dbraw/zinc/88/01/07/607880107.db2.gz LBBAGDWRQKHKOC-UHFFFAOYSA-N -1 3 348.363 0.066 20 50 ECGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc[nH]1 ZINC000824497982 608022520 /nfs/dbraw/zinc/02/25/20/608022520.db2.gz BFVJUWKFGHHEOL-SECBINFHSA-N -1 3 340.347 0.900 20 50 ECGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc[nH]1 ZINC000824497982 608022521 /nfs/dbraw/zinc/02/25/21/608022521.db2.gz BFVJUWKFGHHEOL-SECBINFHSA-N -1 3 340.347 0.900 20 50 ECGDHM O=S(=O)(CBr)NCc1cccc(-c2nnn[n-]2)c1 ZINC000826484575 608806557 /nfs/dbraw/zinc/80/65/57/608806557.db2.gz IDWHISZYRTVATJ-UHFFFAOYSA-N -1 3 332.183 0.639 20 50 ECGDHM O=S(=O)(CBr)NCc1cccc(-c2nn[n-]n2)c1 ZINC000826484575 608806562 /nfs/dbraw/zinc/80/65/62/608806562.db2.gz IDWHISZYRTVATJ-UHFFFAOYSA-N -1 3 332.183 0.639 20 50 ECGDHM Cn1c2ccccc2sc1=NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826354621 609192417 /nfs/dbraw/zinc/19/24/17/609192417.db2.gz NBRUPJAKGRIXPB-UHFFFAOYSA-N -1 3 340.372 0.994 20 50 ECGDHM Cn1c2ccccc2sc1=NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826354621 609192418 /nfs/dbraw/zinc/19/24/18/609192418.db2.gz NBRUPJAKGRIXPB-UHFFFAOYSA-N -1 3 340.372 0.994 20 50 ECGDHM C[C@@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1F ZINC000824950229 609443077 /nfs/dbraw/zinc/44/30/77/609443077.db2.gz ZYCMMBMPQXNWJN-SKDRFNHKSA-N -1 3 347.354 0.901 20 50 ECGDHM C[C@@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1F ZINC000824950229 609443078 /nfs/dbraw/zinc/44/30/78/609443078.db2.gz ZYCMMBMPQXNWJN-SKDRFNHKSA-N -1 3 347.354 0.901 20 50 ECGDHM C[C@@H](NC(=O)c1ccco1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824521242 607340161 /nfs/dbraw/zinc/34/01/61/607340161.db2.gz IPIMGIBMBCFIPJ-SECBINFHSA-N -1 3 341.331 0.721 20 50 ECGDHM Cc1cc(O)cc(=O)n1CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826272134 607344389 /nfs/dbraw/zinc/34/43/89/607344389.db2.gz VWVNYFDOTKGKLB-UHFFFAOYSA-N -1 3 341.331 0.186 20 50 ECGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@]12CCC(=O)N1CCS2 ZINC000826480321 607347573 /nfs/dbraw/zinc/34/75/73/607347573.db2.gz XLYDJDWGZFPKQW-AWEZNQCLSA-N -1 3 345.388 0.375 20 50 ECGDHM CCOC(=O)C(C#N)=CNCc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825486459 607527040 /nfs/dbraw/zinc/52/70/40/607527040.db2.gz SXWNPTZLMLFAFE-LUAWRHEFSA-N -1 3 328.332 0.935 20 50 ECGDHM CCOC(=O)C(C#N)=CNCc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000825486459 607527041 /nfs/dbraw/zinc/52/70/41/607527041.db2.gz SXWNPTZLMLFAFE-LUAWRHEFSA-N -1 3 328.332 0.935 20 50 ECGDHM CS(=O)(=O)c1ccc(NNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000826223883 607672085 /nfs/dbraw/zinc/67/20/85/607672085.db2.gz DRAWDFNEZDWJHJ-UHFFFAOYSA-N -1 3 347.360 0.355 20 50 ECGDHM CS(=O)(=O)c1ccc(NNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000826223883 607672087 /nfs/dbraw/zinc/67/20/87/607672087.db2.gz DRAWDFNEZDWJHJ-UHFFFAOYSA-N -1 3 347.360 0.355 20 50 ECGDHM C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824728747 607720432 /nfs/dbraw/zinc/72/04/32/607720432.db2.gz HANWLASCMFYQJX-ZWNOBZJWSA-N -1 3 332.364 0.894 20 50 ECGDHM C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824728747 607720434 /nfs/dbraw/zinc/72/04/34/607720434.db2.gz HANWLASCMFYQJX-ZWNOBZJWSA-N -1 3 332.364 0.894 20 50 ECGDHM CCC(=O)N1CC[C@@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000825033993 607732899 /nfs/dbraw/zinc/73/28/99/607732899.db2.gz BZJFMRQMIITIAA-LLVKDONJSA-N -1 3 329.364 0.568 20 50 ECGDHM CCC(=O)N1CC[C@@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000825033993 607732901 /nfs/dbraw/zinc/73/29/01/607732901.db2.gz BZJFMRQMIITIAA-LLVKDONJSA-N -1 3 329.364 0.568 20 50 ECGDHM C[C@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc[nH]1 ZINC000824499071 608022334 /nfs/dbraw/zinc/02/23/34/608022334.db2.gz NIQWXOCDOVSLOT-VIFPVBQESA-N -1 3 340.347 0.900 20 50 ECGDHM C[C@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc[nH]1 ZINC000824499071 608022335 /nfs/dbraw/zinc/02/23/35/608022335.db2.gz NIQWXOCDOVSLOT-VIFPVBQESA-N -1 3 340.347 0.900 20 50 ECGDHM O=C(NNC(=O)N1CC[C@H](C2CC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444445 608112549 /nfs/dbraw/zinc/11/25/49/608112549.db2.gz GXGZNNLKMLVCDB-ZDUSSCGKSA-N -1 3 341.375 0.953 20 50 ECGDHM O=C(NNC(=O)N1CC[C@H](C2CC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444445 608112550 /nfs/dbraw/zinc/11/25/50/608112550.db2.gz GXGZNNLKMLVCDB-ZDUSSCGKSA-N -1 3 341.375 0.953 20 50 ECGDHM Cc1ocnc1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826342343 608162417 /nfs/dbraw/zinc/16/24/17/608162417.db2.gz GZLAOMGVAWNVHT-UHFFFAOYSA-N -1 3 342.319 0.307 20 50 ECGDHM Cc1ocnc1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826342343 608162418 /nfs/dbraw/zinc/16/24/18/608162418.db2.gz GZLAOMGVAWNVHT-UHFFFAOYSA-N -1 3 342.319 0.307 20 50 ECGDHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826061031 608260440 /nfs/dbraw/zinc/26/04/40/608260440.db2.gz YQQRZUQBPTUJIN-RYUDHWBXSA-N -1 3 344.379 0.408 20 50 ECGDHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826061031 608260441 /nfs/dbraw/zinc/26/04/41/608260441.db2.gz YQQRZUQBPTUJIN-RYUDHWBXSA-N -1 3 344.379 0.408 20 50 ECGDHM CC(=O)N1CCC[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000823973911 607342723 /nfs/dbraw/zinc/34/27/23/607342723.db2.gz MHEZRNGXEOBONA-GFCCVEGCSA-N -1 3 329.364 0.568 20 50 ECGDHM O=C(CCOC1CCOCC1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826408212 607348538 /nfs/dbraw/zinc/34/85/38/607348538.db2.gz VHNONOYAYPISQS-UHFFFAOYSA-N -1 3 332.364 0.896 20 50 ECGDHM CC(C)CCC(=O)NCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824243765 607347403 /nfs/dbraw/zinc/34/74/03/607347403.db2.gz NVGMOYDKXHYCRQ-UHFFFAOYSA-N -1 3 331.380 0.862 20 50 ECGDHM C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824469860 607352340 /nfs/dbraw/zinc/35/23/40/607352340.db2.gz DFDGGCIGELEFRI-VIFPVBQESA-N -1 3 331.380 0.861 20 50 ECGDHM CC[C@@H](C)OCC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825075600 607682247 /nfs/dbraw/zinc/68/22/47/607682247.db2.gz QMGBRVCRLWAPPQ-SNVBAGLBSA-N -1 3 348.363 0.208 20 50 ECGDHM NC(=O)N1CCC[C@@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826391985 607714198 /nfs/dbraw/zinc/71/41/98/607714198.db2.gz JYSFOKIJCMKOJY-SNVBAGLBSA-N -1 3 330.352 0.101 20 50 ECGDHM NC(=O)N1CCC[C@@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826391985 607714200 /nfs/dbraw/zinc/71/42/00/607714200.db2.gz JYSFOKIJCMKOJY-SNVBAGLBSA-N -1 3 330.352 0.101 20 50 ECGDHM CC(C)(C)CC(=O)NCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824080452 607721848 /nfs/dbraw/zinc/72/18/48/607721848.db2.gz XOTUWLZTVKPQTD-UHFFFAOYSA-N -1 3 331.380 0.862 20 50 ECGDHM CC(C)(C)CC(=O)NCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824080452 607721850 /nfs/dbraw/zinc/72/18/50/607721850.db2.gz XOTUWLZTVKPQTD-UHFFFAOYSA-N -1 3 331.380 0.862 20 50 ECGDHM CC(C)(C)OC(=O)NCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824108820 607725320 /nfs/dbraw/zinc/72/53/20/607725320.db2.gz KSGQJOCHKCNKGU-UHFFFAOYSA-N -1 3 333.352 0.835 20 50 ECGDHM CC(C)(C)OC(=O)NCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824108820 607725322 /nfs/dbraw/zinc/72/53/22/607725322.db2.gz KSGQJOCHKCNKGU-UHFFFAOYSA-N -1 3 333.352 0.835 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000826235573 607774649 /nfs/dbraw/zinc/77/46/49/607774649.db2.gz MFRFNPHGBXOWRT-DKRCXCIFSA-N -1 3 327.348 0.326 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000826235573 607774650 /nfs/dbraw/zinc/77/46/50/607774650.db2.gz MFRFNPHGBXOWRT-DKRCXCIFSA-N -1 3 327.348 0.326 20 50 ECGDHM CC(=O)C[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000823966846 608381660 /nfs/dbraw/zinc/38/16/60/608381660.db2.gz CBJKHDWIFJEDMR-FVNYMESBSA-N -1 3 341.375 0.904 20 50 ECGDHM CC(=O)C[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000823966846 608381661 /nfs/dbraw/zinc/38/16/61/608381661.db2.gz CBJKHDWIFJEDMR-FVNYMESBSA-N -1 3 341.375 0.904 20 50 ECGDHM C[C@@H]1CN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H](C)O1 ZINC000826232533 609186008 /nfs/dbraw/zinc/18/60/08/609186008.db2.gz UPMNQUFDYIQBGU-AOOOYVTPSA-N -1 3 345.363 0.330 20 50 ECGDHM C[C@@H]1CN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC000826232533 609186010 /nfs/dbraw/zinc/18/60/10/609186010.db2.gz UPMNQUFDYIQBGU-AOOOYVTPSA-N -1 3 345.363 0.330 20 50 ECGDHM Cn1cccc1C(=O)NNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826363680 609287345 /nfs/dbraw/zinc/28/73/45/609287345.db2.gz XIOLNVOOXURHAI-UHFFFAOYSA-N -1 3 345.750 0.933 20 50 ECGDHM Cn1cccc1C(=O)NNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826363680 609287346 /nfs/dbraw/zinc/28/73/46/609287346.db2.gz XIOLNVOOXURHAI-UHFFFAOYSA-N -1 3 345.750 0.933 20 50 ECGDHM CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000824108462 609307453 /nfs/dbraw/zinc/30/74/53/609307453.db2.gz GFKNETLKNVPOEL-UHFFFAOYSA-N -1 3 345.363 0.842 20 50 ECGDHM CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000824108462 609307455 /nfs/dbraw/zinc/30/74/55/609307455.db2.gz GFKNETLKNVPOEL-UHFFFAOYSA-N -1 3 345.363 0.842 20 50 ECGDHM CSc1nc(C2CC2)cc(C(=O)NN(C)C(N)=O)c1-c1nnn[n-]1 ZINC000826231632 609395437 /nfs/dbraw/zinc/39/54/37/609395437.db2.gz SYSWPVZXJIUHFV-UHFFFAOYSA-N -1 3 348.392 0.516 20 50 ECGDHM O=C(CCOc1ccccc1)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826408031 609451637 /nfs/dbraw/zinc/45/16/37/609451637.db2.gz NABUGNTYFTYDMJ-UHFFFAOYSA-N -1 3 341.331 0.425 20 50 ECGDHM O=C(CCOc1ccccc1)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826408031 609451638 /nfs/dbraw/zinc/45/16/38/609451638.db2.gz NABUGNTYFTYDMJ-UHFFFAOYSA-N -1 3 341.331 0.425 20 50 ECGDHM C=CCOCCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823926028 609600879 /nfs/dbraw/zinc/60/08/79/609600879.db2.gz WISCUALZXZRYSM-UHFFFAOYSA-N -1 3 331.336 0.013 20 50 ECGDHM C=CCOCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823926028 609600880 /nfs/dbraw/zinc/60/08/80/609600880.db2.gz WISCUALZXZRYSM-UHFFFAOYSA-N -1 3 331.336 0.013 20 50 ECGDHM Cn1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)ccc1[N+](=O)[O-] ZINC000826355380 607342251 /nfs/dbraw/zinc/34/22/51/607342251.db2.gz XBOIJOKKDWBZGP-UHFFFAOYSA-N -1 3 328.292 0.870 20 50 ECGDHM C[C@H](OC[C@H]1CCCO1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824731838 607345640 /nfs/dbraw/zinc/34/56/40/607345640.db2.gz ZDBIKXPQDHFBEA-GXFFZTMASA-N -1 3 332.364 0.894 20 50 ECGDHM O=C(CCOC[C@@H]1CCCO1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826408023 607348555 /nfs/dbraw/zinc/34/85/55/607348555.db2.gz MVEJBKKSOBNNHO-ZDUSSCGKSA-N -1 3 332.364 0.896 20 50 ECGDHM O=C(Cc1ccccc1F)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826424109 607733769 /nfs/dbraw/zinc/73/37/69/607733769.db2.gz WEVZQBUUIHXUPU-UHFFFAOYSA-N -1 3 329.295 0.338 20 50 ECGDHM O=C(Cc1ccccc1F)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826424109 607733770 /nfs/dbraw/zinc/73/37/70/607733770.db2.gz WEVZQBUUIHXUPU-UHFFFAOYSA-N -1 3 329.295 0.338 20 50 ECGDHM COC[C@](C)(CC(=O)[O-])NCC(=O)NNC(=O)c1cccc(C)c1 ZINC000833721677 605240981 /nfs/dbraw/zinc/24/09/81/605240981.db2.gz DSNYAWCZLUWRNO-INIZCTEOSA-N -1 3 337.376 0.225 20 50 ECGDHM Cn1cncc1C=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826365326 607882734 /nfs/dbraw/zinc/88/27/34/607882734.db2.gz JSKRMKXTOPYINZ-UHFFFAOYSA-N -1 3 326.320 0.129 20 50 ECGDHM NC(=O)c1cccc(C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826393532 607887991 /nfs/dbraw/zinc/88/79/91/607887991.db2.gz WOLZMSBSMKAZCE-UHFFFAOYSA-N -1 3 335.327 0.730 20 50 ECGDHM NC(=O)c1cccc(C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826393532 607887992 /nfs/dbraw/zinc/88/79/92/607887992.db2.gz WOLZMSBSMKAZCE-UHFFFAOYSA-N -1 3 335.327 0.730 20 50 ECGDHM N#CC1=CCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826381056 608384561 /nfs/dbraw/zinc/38/45/61/608384561.db2.gz VXHFCLSBKIKZLR-UHFFFAOYSA-N -1 3 344.400 0.796 20 50 ECGDHM N#CC1=CCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826381056 608384563 /nfs/dbraw/zinc/38/45/63/608384563.db2.gz VXHFCLSBKIKZLR-UHFFFAOYSA-N -1 3 344.400 0.796 20 50 ECGDHM COCCn1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826163794 608809277 /nfs/dbraw/zinc/80/92/77/608809277.db2.gz LUHGMYNMBAYCQE-UHFFFAOYSA-N -1 3 343.351 0.858 20 50 ECGDHM COCCn1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826163794 608809279 /nfs/dbraw/zinc/80/92/79/608809279.db2.gz LUHGMYNMBAYCQE-UHFFFAOYSA-N -1 3 343.351 0.858 20 50 ECGDHM NC(=O)c1cccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826393840 608818209 /nfs/dbraw/zinc/81/82/09/608818209.db2.gz LWVYVQIPMFASKG-UHFFFAOYSA-N -1 3 339.319 0.509 20 50 ECGDHM NC(=O)c1cccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826393840 608818212 /nfs/dbraw/zinc/81/82/12/608818212.db2.gz LWVYVQIPMFASKG-UHFFFAOYSA-N -1 3 339.319 0.509 20 50 ECGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccn2c(=O)[nH]nc12 ZINC000826446879 609254423 /nfs/dbraw/zinc/25/44/23/609254423.db2.gz CJFOLNGVLFKSGJ-UHFFFAOYSA-N -1 3 337.303 0.372 20 50 ECGDHM CC(C)C[C@@H](CO)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824236534 609443541 /nfs/dbraw/zinc/44/35/41/609443541.db2.gz OYEYILGZKZZNSU-LBPRGKRZSA-N -1 3 347.379 0.218 20 50 ECGDHM CC(C)C[C@@H](CO)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824236534 609443543 /nfs/dbraw/zinc/44/35/43/609443543.db2.gz OYEYILGZKZZNSU-LBPRGKRZSA-N -1 3 347.379 0.218 20 50 ECGDHM O=C(CN1CCCCCC1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826410836 607342011 /nfs/dbraw/zinc/34/20/11/607342011.db2.gz ZRZIZWQAANZODP-UHFFFAOYSA-N -1 3 329.364 0.712 20 50 ECGDHM CC(C)(C)CC(=O)NCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824077645 607346431 /nfs/dbraw/zinc/34/64/31/607346431.db2.gz CPUFGLXCQBITSU-UHFFFAOYSA-N -1 3 331.380 0.862 20 50 ECGDHM O=C(CNC(=O)c1ccncc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826412077 607465175 /nfs/dbraw/zinc/46/51/75/607465175.db2.gz AOJPXIXCMROMBU-UHFFFAOYSA-N -1 3 338.331 0.135 20 50 ECGDHM C[C@H]1CCCC[C@]1(CNC(=O)[O-])NCC(=O)NNC(=O)C(C)(C)C ZINC000825897758 603560655 /nfs/dbraw/zinc/56/06/55/603560655.db2.gz ZBYUMORQXITHNL-MEDUHNTESA-N -1 3 342.440 0.986 20 50 ECGDHM Cc1sc(=O)n(CC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1C ZINC000826349397 607721405 /nfs/dbraw/zinc/72/14/05/607721405.db2.gz GYDRGAIEYRAYIF-UHFFFAOYSA-N -1 3 345.388 0.850 20 50 ECGDHM Cc1sc(=O)n(CC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1C ZINC000826349397 607721408 /nfs/dbraw/zinc/72/14/08/607721408.db2.gz GYDRGAIEYRAYIF-UHFFFAOYSA-N -1 3 345.388 0.850 20 50 ECGDHM Cc1ncn(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000826331351 607922857 /nfs/dbraw/zinc/92/28/57/607922857.db2.gz DRSLILRIQIBUFB-UHFFFAOYSA-N -1 3 340.347 0.141 20 50 ECGDHM C[C@@H]1CCCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824938985 608320135 /nfs/dbraw/zinc/32/01/35/608320135.db2.gz XDEJMALIOLDAAI-SNVBAGLBSA-N -1 3 329.364 0.953 20 50 ECGDHM C[C@@H]1CCCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824938985 608320136 /nfs/dbraw/zinc/32/01/36/608320136.db2.gz XDEJMALIOLDAAI-SNVBAGLBSA-N -1 3 329.364 0.953 20 50 ECGDHM CCNC(=O)N(C)NC(=O)CSCc1ccc(-c2nnn[n-]2)cc1 ZINC000825470621 608873977 /nfs/dbraw/zinc/87/39/77/608873977.db2.gz FNDVLJBBFFQXRL-UHFFFAOYSA-N -1 3 349.420 0.792 20 50 ECGDHM CCNC(=O)N(C)NC(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000825470621 608873981 /nfs/dbraw/zinc/87/39/81/608873981.db2.gz FNDVLJBBFFQXRL-UHFFFAOYSA-N -1 3 349.420 0.792 20 50 ECGDHM COc1cccc(NNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826216599 609262721 /nfs/dbraw/zinc/26/27/21/609262721.db2.gz GMPGXEHEDXKZRU-ZDUSSCGKSA-N -1 3 341.331 0.447 20 50 ECGDHM COc1cccc(NNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826216599 609262723 /nfs/dbraw/zinc/26/27/23/609262723.db2.gz GMPGXEHEDXKZRU-ZDUSSCGKSA-N -1 3 341.331 0.447 20 50 ECGDHM CC(=NNC(=O)C(=O)NC(C)C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823943907 609274803 /nfs/dbraw/zinc/27/48/03/609274803.db2.gz UWENMHQFNOMDGZ-UHFFFAOYSA-N -1 3 333.327 0.371 20 50 ECGDHM CC(=NNC(=O)C(=O)NC(C)C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823943907 609274804 /nfs/dbraw/zinc/27/48/04/609274804.db2.gz UWENMHQFNOMDGZ-UHFFFAOYSA-N -1 3 333.327 0.371 20 50 ECGDHM CC(C)c1nc(C#N)c(NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)o1 ZINC000824359624 609450168 /nfs/dbraw/zinc/45/01/68/609450168.db2.gz YTVKFKVNHRVJEE-UHFFFAOYSA-N -1 3 327.308 0.935 20 50 ECGDHM CC(C)c1nc(C#N)c(NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)o1 ZINC000824359624 609450171 /nfs/dbraw/zinc/45/01/71/609450171.db2.gz YTVKFKVNHRVJEE-UHFFFAOYSA-N -1 3 327.308 0.935 20 50 ECGDHM CC(=O)N1CSC[C@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000823989130 607340100 /nfs/dbraw/zinc/34/01/00/607340100.db2.gz NGYOZRRXBSJNIB-NSHDSACASA-N -1 3 333.377 0.231 20 50 ECGDHM COC[C@](C)(CC(=O)[O-])NCC(=O)NNC(=O)c1ccc(C)cc1 ZINC000831572534 601489250 /nfs/dbraw/zinc/48/92/50/601489250.db2.gz BLTNKTGWKAIXJN-INIZCTEOSA-N -1 3 337.376 0.225 20 50 ECGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)Cc1ccccn1 ZINC000826249641 607685258 /nfs/dbraw/zinc/68/52/58/607685258.db2.gz MLKOJCSJMWBTNF-UHFFFAOYSA-N -1 3 337.343 0.574 20 50 ECGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)Cc1ccccn1 ZINC000826249641 607685260 /nfs/dbraw/zinc/68/52/60/607685260.db2.gz MLKOJCSJMWBTNF-UHFFFAOYSA-N -1 3 337.343 0.574 20 50 ECGDHM CC(C)CCC(=O)NCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824243501 607723569 /nfs/dbraw/zinc/72/35/69/607723569.db2.gz HLEJUZJLMIDBHB-UHFFFAOYSA-N -1 3 331.380 0.862 20 50 ECGDHM CC(C)CCC(=O)NCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824243501 607723570 /nfs/dbraw/zinc/72/35/70/607723570.db2.gz HLEJUZJLMIDBHB-UHFFFAOYSA-N -1 3 331.380 0.862 20 50 ECGDHM O=C(NNC(=O)c1cc[nH]c(=O)c1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277804 606733785 /nfs/dbraw/zinc/73/37/85/606733785.db2.gz XATLHJNSUAJKRB-UHFFFAOYSA-N -1 3 325.288 0.042 20 50 ECGDHM O=C(NNC(=O)c1cc[nH]c(=O)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277804 606733786 /nfs/dbraw/zinc/73/37/86/606733786.db2.gz XATLHJNSUAJKRB-UHFFFAOYSA-N -1 3 325.288 0.042 20 50 ECGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCc2c[nH]nc2C1 ZINC000823281258 606989736 /nfs/dbraw/zinc/98/97/36/606989736.db2.gz PYJBTWUYFZMYIE-NSHDSACASA-N -1 3 339.363 0.773 20 50 ECGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000823280966 607109384 /nfs/dbraw/zinc/10/93/84/607109384.db2.gz KBOHNOMUBJWTTG-LLVKDONJSA-N -1 3 339.363 0.773 20 50 ECGDHM C[C@H](CO)CCCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824432839 607995535 /nfs/dbraw/zinc/99/55/35/607995535.db2.gz ABNVUZZOOMDDLU-JTQLQIEISA-N -1 3 347.379 0.219 20 50 ECGDHM C[C@H](CO)CCCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824432839 607995536 /nfs/dbraw/zinc/99/55/36/607995536.db2.gz ABNVUZZOOMDDLU-JTQLQIEISA-N -1 3 347.379 0.219 20 50 ECGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc[nH]1 ZINC000824499070 608022564 /nfs/dbraw/zinc/02/25/64/608022564.db2.gz NIQWXOCDOVSLOT-SECBINFHSA-N -1 3 340.347 0.900 20 50 ECGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc[nH]1 ZINC000824499070 608022565 /nfs/dbraw/zinc/02/25/65/608022565.db2.gz NIQWXOCDOVSLOT-SECBINFHSA-N -1 3 340.347 0.900 20 50 ECGDHM O=C(CNc1ccccc1)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826414223 608112537 /nfs/dbraw/zinc/11/25/37/608112537.db2.gz LDHMDPDXJDXSIF-UHFFFAOYSA-N -1 3 326.320 0.068 20 50 ECGDHM O=C(CNc1ccccc1)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826414223 608112538 /nfs/dbraw/zinc/11/25/38/608112538.db2.gz LDHMDPDXJDXSIF-UHFFFAOYSA-N -1 3 326.320 0.068 20 50 ECGDHM Cn1cccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1=O ZINC000826363666 608814701 /nfs/dbraw/zinc/81/47/01/608814701.db2.gz WRCSAMFMYJZCAS-UHFFFAOYSA-N -1 3 326.320 0.714 20 50 ECGDHM CN(C)C(=O)NN=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825846345 609304588 /nfs/dbraw/zinc/30/45/88/609304588.db2.gz XELXXBVHSDAUFB-UHFFFAOYSA-N -1 3 339.363 0.872 20 50 ECGDHM CN(C)C(=O)NN=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825846345 609304589 /nfs/dbraw/zinc/30/45/89/609304589.db2.gz XELXXBVHSDAUFB-UHFFFAOYSA-N -1 3 339.363 0.872 20 50 ECGDHM O=C(Cc1ccc(F)cc1)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826422753 609411569 /nfs/dbraw/zinc/41/15/69/609411569.db2.gz KQIGPVRZIRNCIP-UHFFFAOYSA-N -1 3 329.295 0.338 20 50 ECGDHM O=C(Cc1ccc(F)cc1)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826422753 609411571 /nfs/dbraw/zinc/41/15/71/609411571.db2.gz KQIGPVRZIRNCIP-UHFFFAOYSA-N -1 3 329.295 0.338 20 50 ECGDHM CN(C)c1cnc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000825884275 609501173 /nfs/dbraw/zinc/50/11/73/609501173.db2.gz XPTCAZCEUNHOQB-UHFFFAOYSA-N -1 3 325.336 0.480 20 50 ECGDHM CN(C)c1cnc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000825884275 609501175 /nfs/dbraw/zinc/50/11/75/609501175.db2.gz XPTCAZCEUNHOQB-UHFFFAOYSA-N -1 3 325.336 0.480 20 50 ECGDHM O=C(CC(=O)NNc1cccc(-c2nnn[n-]2)c1)NCC(F)(F)F ZINC000826403952 609501421 /nfs/dbraw/zinc/50/14/21/609501421.db2.gz JJQZGVXBRAVCPT-UHFFFAOYSA-N -1 3 343.269 0.378 20 50 ECGDHM O=C(CC(=O)NNc1cccc(-c2nn[n-]n2)c1)NCC(F)(F)F ZINC000826403952 609501423 /nfs/dbraw/zinc/50/14/23/609501423.db2.gz JJQZGVXBRAVCPT-UHFFFAOYSA-N -1 3 343.269 0.378 20 50 ECGDHM NC(=O)c1csc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826393967 607334376 /nfs/dbraw/zinc/33/43/76/607334376.db2.gz RCDSUCOQWYRDLF-UHFFFAOYSA-N -1 3 329.345 0.784 20 50 ECGDHM NC(=O)c1csc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826393967 607334378 /nfs/dbraw/zinc/33/43/78/607334378.db2.gz RCDSUCOQWYRDLF-UHFFFAOYSA-N -1 3 329.345 0.784 20 50 ECGDHM Cc1nnc2ccc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)cn12 ZINC000826337089 607354367 /nfs/dbraw/zinc/35/43/67/607354367.db2.gz BEFFRFBLGCXYRQ-UHFFFAOYSA-N -1 3 335.331 0.975 20 50 ECGDHM O=C(NNC(=S)NC[C@@H]1CCOC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826445529 607532964 /nfs/dbraw/zinc/53/29/64/607532964.db2.gz XYYPDOQBAXJLMM-VIFPVBQESA-N -1 3 347.404 0.012 20 50 ECGDHM O=C(NNC(=S)NC[C@@H]1CCOC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826445529 607532966 /nfs/dbraw/zinc/53/29/66/607532966.db2.gz XYYPDOQBAXJLMM-VIFPVBQESA-N -1 3 347.404 0.012 20 50 ECGDHM COC[C@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826151253 607537441 /nfs/dbraw/zinc/53/74/41/607537441.db2.gz XLIIOXYTUKZMHU-LBPRGKRZSA-N -1 3 345.363 0.236 20 50 ECGDHM COC[C@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826151253 607537442 /nfs/dbraw/zinc/53/74/42/607537442.db2.gz XLIIOXYTUKZMHU-LBPRGKRZSA-N -1 3 345.363 0.236 20 50 ECGDHM CN(C)c1ccncc1C=NNC(=O)NC1CCN(C(=O)[O-])CC1 ZINC000833871453 606009513 /nfs/dbraw/zinc/00/95/13/606009513.db2.gz ONINYZWYMKGGJL-UHFFFAOYSA-N -1 3 334.380 0.923 20 50 ECGDHM C=C(C)[C@H](CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)OCC ZINC000823873073 607889051 /nfs/dbraw/zinc/88/90/51/607889051.db2.gz HMJPNJNDHLVWAR-ZDUSSCGKSA-N -1 3 344.375 0.999 20 50 ECGDHM C=C(C)[C@H](CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)OCC ZINC000823873073 607889052 /nfs/dbraw/zinc/88/90/52/607889052.db2.gz HMJPNJNDHLVWAR-ZDUSSCGKSA-N -1 3 344.375 0.999 20 50 ECGDHM CC1=CCN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824851717 607926577 /nfs/dbraw/zinc/92/65/77/607926577.db2.gz DJRUIMAADGULKZ-UHFFFAOYSA-N -1 3 341.375 0.280 20 50 ECGDHM CC1=CCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824851717 607926578 /nfs/dbraw/zinc/92/65/78/607926578.db2.gz DJRUIMAADGULKZ-UHFFFAOYSA-N -1 3 341.375 0.280 20 50 ECGDHM O=C(NNC(=O)N1CC[C@@H](C2CC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444634 608112630 /nfs/dbraw/zinc/11/26/30/608112630.db2.gz OCMFNPMRHNWVCO-CYBMUJFWSA-N -1 3 341.375 0.953 20 50 ECGDHM O=C(NNC(=O)N1CC[C@@H](C2CC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444634 608112631 /nfs/dbraw/zinc/11/26/31/608112631.db2.gz OCMFNPMRHNWVCO-CYBMUJFWSA-N -1 3 341.375 0.953 20 50 ECGDHM O=C(NNC(=O)c1cnc2[nH]cnc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000826445139 608123175 /nfs/dbraw/zinc/12/31/75/608123175.db2.gz IKOWJOVMFIHCOJ-UHFFFAOYSA-N -1 3 349.314 0.213 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CO)C(C)C)cc(-c2nnn[n-]2)n1C ZINC000826235155 608864879 /nfs/dbraw/zinc/86/48/79/608864879.db2.gz DEAMEFDXSMWJFU-YQJFHSMKSA-N -1 3 343.391 0.554 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CO)C(C)C)cc(-c2nn[n-]n2)n1C ZINC000826235155 608864881 /nfs/dbraw/zinc/86/48/81/608864881.db2.gz DEAMEFDXSMWJFU-YQJFHSMKSA-N -1 3 343.391 0.554 20 50 ECGDHM O=C(CO)NNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000826415237 609285740 /nfs/dbraw/zinc/28/57/40/609285740.db2.gz XRNCHGQLZFLBQC-UHFFFAOYSA-N -1 3 338.327 0.287 20 50 ECGDHM O=C(CO)NNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000826415237 609285741 /nfs/dbraw/zinc/28/57/41/609285741.db2.gz XRNCHGQLZFLBQC-UHFFFAOYSA-N -1 3 338.327 0.287 20 50 ECGDHM C[C@@]1(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCCOC1 ZINC000824783316 609295043 /nfs/dbraw/zinc/29/50/43/609295043.db2.gz FLMQLZULIJJFFI-OAHLLOKOSA-N -1 3 330.348 0.444 20 50 ECGDHM C[C@@]1(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCCOC1 ZINC000824783316 609295044 /nfs/dbraw/zinc/29/50/44/609295044.db2.gz FLMQLZULIJJFFI-OAHLLOKOSA-N -1 3 330.348 0.444 20 50 ECGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNc1ccnc(F)c1 ZINC000826417606 609301238 /nfs/dbraw/zinc/30/12/38/609301238.db2.gz XMBQQXZQVHTJOJ-UHFFFAOYSA-N -1 3 329.295 0.923 20 50 ECGDHM CC(C)(C#N)CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824059132 609411710 /nfs/dbraw/zinc/41/17/10/609411710.db2.gz NMHNNGDSYCWWAA-UHFFFAOYSA-N -1 3 328.336 0.360 20 50 ECGDHM CC(C)(C#N)CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824059132 609411711 /nfs/dbraw/zinc/41/17/11/609411711.db2.gz NMHNNGDSYCWWAA-UHFFFAOYSA-N -1 3 328.336 0.360 20 50 ECGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1-n1cnnn1 ZINC000826447274 607341277 /nfs/dbraw/zinc/34/12/77/607341277.db2.gz XPVHJBNOKHZLRE-UHFFFAOYSA-N -1 3 348.330 0.599 20 50 ECGDHM O=C(NNC(=O)c1cccc2cccnc21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826445316 607714118 /nfs/dbraw/zinc/71/41/18/607714118.db2.gz OZMRADFNVPKYML-UHFFFAOYSA-N -1 3 348.326 0.818 20 50 ECGDHM O=C(NNC(=O)c1cccc2cccnc21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826445316 607714121 /nfs/dbraw/zinc/71/41/21/607714121.db2.gz OZMRADFNVPKYML-UHFFFAOYSA-N -1 3 348.326 0.818 20 50 ECGDHM Cc1csc(=O)n1CCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826319998 607719574 /nfs/dbraw/zinc/71/95/74/607719574.db2.gz BXUKGHZNNPTSQO-UHFFFAOYSA-N -1 3 345.388 0.932 20 50 ECGDHM Cc1csc(=O)n1CCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826319998 607719576 /nfs/dbraw/zinc/71/95/76/607719576.db2.gz BXUKGHZNNPTSQO-UHFFFAOYSA-N -1 3 345.388 0.932 20 50 ECGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCCn2ncnc21 ZINC000823280943 606589890 /nfs/dbraw/zinc/58/98/90/606589890.db2.gz IZAKZLRRSSDPCB-NSHDSACASA-N -1 3 340.351 0.619 20 50 ECGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCn2ncnc21 ZINC000823280943 606589891 /nfs/dbraw/zinc/58/98/91/606589891.db2.gz IZAKZLRRSSDPCB-NSHDSACASA-N -1 3 340.351 0.619 20 50 ECGDHM O=C(NNc1ccc(C(F)(F)F)nn1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826447613 607862441 /nfs/dbraw/zinc/86/24/41/607862441.db2.gz NVGTWFDISBJLJV-UHFFFAOYSA-N -1 3 339.241 0.761 20 50 ECGDHM CCn1ccnc1C=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825805049 607881865 /nfs/dbraw/zinc/88/18/65/607881865.db2.gz PRRBZADEDBOLET-UHFFFAOYSA-N -1 3 340.347 0.612 20 50 ECGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=CC[C@@H]1CCOC1 ZINC000826417547 608227911 /nfs/dbraw/zinc/22/79/11/608227911.db2.gz VIGNGHNMDWDTOD-LLVKDONJSA-N -1 3 330.348 0.774 20 50 ECGDHM COc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)CBr ZINC000826176118 608804226 /nfs/dbraw/zinc/80/42/26/608804226.db2.gz BSIWJSKTRLGDEA-UHFFFAOYSA-N -1 3 349.166 0.936 20 50 ECGDHM COc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)CBr ZINC000826176118 608804228 /nfs/dbraw/zinc/80/42/28/608804228.db2.gz BSIWJSKTRLGDEA-UHFFFAOYSA-N -1 3 349.166 0.936 20 50 ECGDHM O=C(NNC(=O)C1CCCC1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444356 609196904 /nfs/dbraw/zinc/19/69/04/609196904.db2.gz BYDMDPZBNYUJQV-LBPRGKRZSA-N -1 3 330.348 0.238 20 50 ECGDHM O=C(NNC(=O)C1CCCC1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444356 609196905 /nfs/dbraw/zinc/19/69/05/609196905.db2.gz BYDMDPZBNYUJQV-LBPRGKRZSA-N -1 3 330.348 0.238 20 50 ECGDHM Cc1csc(=O)n1CCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826320120 607344179 /nfs/dbraw/zinc/34/41/79/607344179.db2.gz HFUKNLKQBLLIAZ-UHFFFAOYSA-N -1 3 345.388 0.932 20 50 ECGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000826446255 607349758 /nfs/dbraw/zinc/34/97/58/607349758.db2.gz FNOOCFYZBVOIKT-SNVBAGLBSA-N -1 3 327.348 0.321 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)CCO)cc(-c2nnn[n-]2)n1C ZINC000826235465 607512138 /nfs/dbraw/zinc/51/21/38/607512138.db2.gz KLVMXRGUTVMWBZ-DAVUEJTQSA-N -1 3 329.364 0.308 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)CCO)cc(-c2nn[n-]n2)n1C ZINC000826235465 607512140 /nfs/dbraw/zinc/51/21/40/607512140.db2.gz KLVMXRGUTVMWBZ-DAVUEJTQSA-N -1 3 329.364 0.308 20 50 ECGDHM CC1=C(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000824851609 607573467 /nfs/dbraw/zinc/57/34/67/607573467.db2.gz AYDSGMUPHCHOGY-UHFFFAOYSA-N -1 3 342.359 0.893 20 50 ECGDHM O=C(COc1ccccc1F)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826419344 607683518 /nfs/dbraw/zinc/68/35/18/607683518.db2.gz SVGYWVMSRVUVCH-UHFFFAOYSA-N -1 3 345.294 0.174 20 50 ECGDHM O=C(COc1ccccc1F)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826419344 607683520 /nfs/dbraw/zinc/68/35/20/607683520.db2.gz SVGYWVMSRVUVCH-UHFFFAOYSA-N -1 3 345.294 0.174 20 50 ECGDHM O=C(CCOc1ccccc1)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826408204 607714360 /nfs/dbraw/zinc/71/43/60/607714360.db2.gz USOFSEZJWUQAIE-UHFFFAOYSA-N -1 3 341.331 0.425 20 50 ECGDHM O=C(CCOc1ccccc1)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826408204 607714362 /nfs/dbraw/zinc/71/43/62/607714362.db2.gz USOFSEZJWUQAIE-UHFFFAOYSA-N -1 3 341.331 0.425 20 50 ECGDHM O=C(CCOC[C@H]1CCCO1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826408152 607723253 /nfs/dbraw/zinc/72/32/53/607723253.db2.gz ROZWFIHGCCPMSD-CYBMUJFWSA-N -1 3 332.364 0.896 20 50 ECGDHM O=C(CCOC[C@H]1CCCO1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826408152 607723254 /nfs/dbraw/zinc/72/32/54/607723254.db2.gz ROZWFIHGCCPMSD-CYBMUJFWSA-N -1 3 332.364 0.896 20 50 ECGDHM CC(=O)N1CC[C@@](C)(C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000823975368 607723464 /nfs/dbraw/zinc/72/34/64/607723464.db2.gz XPLJGQRBKWUDEI-OAHLLOKOSA-N -1 3 329.364 0.568 20 50 ECGDHM CC(=O)N1CC[C@@](C)(C(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000823975368 607723466 /nfs/dbraw/zinc/72/34/66/607723466.db2.gz XPLJGQRBKWUDEI-OAHLLOKOSA-N -1 3 329.364 0.568 20 50 ECGDHM O=C(NNC(=S)Nc1ccccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000823280980 607178863 /nfs/dbraw/zinc/17/88/63/607178863.db2.gz KJVGSUGZFKXOKR-UHFFFAOYSA-N -1 3 340.372 0.893 20 50 ECGDHM O=C(NNC(=S)Nc1ccccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000823280980 607178864 /nfs/dbraw/zinc/17/88/64/607178864.db2.gz KJVGSUGZFKXOKR-UHFFFAOYSA-N -1 3 340.372 0.893 20 50 ECGDHM O=C(NN=Cc1cnn2cccnc12)c1cccc(-c2nnn[n-]2)c1 ZINC000826444317 607888828 /nfs/dbraw/zinc/88/88/28/607888828.db2.gz ATOLDJUDZTUJRC-UHFFFAOYSA-N -1 3 333.315 0.673 20 50 ECGDHM O=C(NN=Cc1cnn2cccnc12)c1cccc(-c2nn[n-]n2)c1 ZINC000826444317 607888829 /nfs/dbraw/zinc/88/88/29/607888829.db2.gz ATOLDJUDZTUJRC-UHFFFAOYSA-N -1 3 333.315 0.673 20 50 ECGDHM COC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826104356 608103995 /nfs/dbraw/zinc/10/39/95/608103995.db2.gz VGHHTHGATZEPLB-QQCYMQAYSA-N -1 3 344.331 0.525 20 50 ECGDHM COC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826104356 608103996 /nfs/dbraw/zinc/10/39/96/608103996.db2.gz VGHHTHGATZEPLB-QQCYMQAYSA-N -1 3 344.331 0.525 20 50 ECGDHM O=C(NNc1ccccn1)C(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826449156 608141424 /nfs/dbraw/zinc/14/14/24/608141424.db2.gz DWBUJPKGHVSCSI-UHFFFAOYSA-N -1 3 342.294 0.483 20 50 ECGDHM O=C(NNc1ccccn1)C(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826449156 608141425 /nfs/dbraw/zinc/14/14/25/608141425.db2.gz DWBUJPKGHVSCSI-UHFFFAOYSA-N -1 3 342.294 0.483 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@H]2C)cc(-c2nnn[n-]2)n1C ZINC000826235371 608206616 /nfs/dbraw/zinc/20/66/16/608206616.db2.gz IOVSJSARDSZIIZ-AGPAIEIJSA-N -1 3 341.375 0.714 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@H]2C)cc(-c2nn[n-]n2)n1C ZINC000826235371 608206618 /nfs/dbraw/zinc/20/66/18/608206618.db2.gz IOVSJSARDSZIIZ-AGPAIEIJSA-N -1 3 341.375 0.714 20 50 ECGDHM CCCCNC(=O)NNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825290980 609213304 /nfs/dbraw/zinc/21/33/04/609213304.db2.gz KVZKNQUZRQCSPU-NSHDSACASA-N -1 3 333.352 0.031 20 50 ECGDHM CCCCNC(=O)NNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825290980 609213306 /nfs/dbraw/zinc/21/33/06/609213306.db2.gz KVZKNQUZRQCSPU-NSHDSACASA-N -1 3 333.352 0.031 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)NN2CCCC2=O)cc(-c2nn[n-]n2)n1C ZINC000826235900 609267223 /nfs/dbraw/zinc/26/72/23/609267223.db2.gz UHHCWNWQDNJKGZ-IZZDOVSWSA-N -1 3 340.347 0.074 20 50 ECGDHM CC(=NNC(=O)[C@H]1COCCO1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948542 609276573 /nfs/dbraw/zinc/27/65/73/609276573.db2.gz RCKJXHRZGOSIGF-GFCCVEGCSA-N -1 3 334.311 0.261 20 50 ECGDHM CC(=NNC(=O)[C@H]1COCCO1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948542 609276574 /nfs/dbraw/zinc/27/65/74/609276574.db2.gz RCKJXHRZGOSIGF-GFCCVEGCSA-N -1 3 334.311 0.261 20 50 ECGDHM C=C(C)CN(C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823877638 609371161 /nfs/dbraw/zinc/37/11/61/609371161.db2.gz BZQSCLLHKBLWRS-UHFFFAOYSA-N -1 3 329.364 0.136 20 50 ECGDHM O=C(Cn1ccc([N+](=O)[O-])n1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826424194 607335215 /nfs/dbraw/zinc/33/52/15/607335215.db2.gz ACMDZYRLBOFKCK-UHFFFAOYSA-N -1 3 329.280 0.115 20 50 ECGDHM O=C(Cn1ccc([N+](=O)[O-])n1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826424194 607335217 /nfs/dbraw/zinc/33/52/17/607335217.db2.gz ACMDZYRLBOFKCK-UHFFFAOYSA-N -1 3 329.280 0.115 20 50 ECGDHM Cn1cc([N+](=O)[O-])cc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826362606 607343556 /nfs/dbraw/zinc/34/35/56/607343556.db2.gz AHAHAQUGLFWKMJ-UHFFFAOYSA-N -1 3 328.292 0.870 20 50 ECGDHM CCC(=O)N1CSC[C@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825034787 607345309 /nfs/dbraw/zinc/34/53/09/607345309.db2.gz PSRGDINYZRFZFF-NSHDSACASA-N -1 3 347.404 0.621 20 50 ECGDHM CC(=O)N1CC[C@](C)(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000823975174 607347639 /nfs/dbraw/zinc/34/76/39/607347639.db2.gz VKTLUSDNQXXYFW-HNNXBMFYSA-N -1 3 329.364 0.568 20 50 ECGDHM CC(C)CN1C[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000824261842 607352300 /nfs/dbraw/zinc/35/23/00/607352300.db2.gz RSNQADLQAHJNOQ-LBPRGKRZSA-N -1 3 343.391 0.814 20 50 ECGDHM C[C@@H](NC(=O)c1ccoc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824522996 607733322 /nfs/dbraw/zinc/73/33/22/607733322.db2.gz XIBRKWJAXASRPA-SECBINFHSA-N -1 3 341.331 0.721 20 50 ECGDHM C[C@@H](NC(=O)c1ccoc1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824522996 607733323 /nfs/dbraw/zinc/73/33/23/607733323.db2.gz XIBRKWJAXASRPA-SECBINFHSA-N -1 3 341.331 0.721 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@@H](CO)C2)cc(-c2nnn[n-]2)n1C ZINC000826235914 607996176 /nfs/dbraw/zinc/99/61/76/607996176.db2.gz UOGFWQNAGLSYTM-CGGVXGFASA-N -1 3 341.375 0.261 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@@H](CO)C2)cc(-c2nn[n-]n2)n1C ZINC000826235914 607996177 /nfs/dbraw/zinc/99/61/77/607996177.db2.gz UOGFWQNAGLSYTM-CGGVXGFASA-N -1 3 341.375 0.261 20 50 ECGDHM Cc1nn(C)c(=O)c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826332817 608202666 /nfs/dbraw/zinc/20/26/66/608202666.db2.gz IYVWISUVFFHJFM-UHFFFAOYSA-N -1 3 340.347 0.334 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)NCC(=O)C2CC2)cc(-c2nnn[n-]2)n1C ZINC000826235445 608213853 /nfs/dbraw/zinc/21/38/53/608213853.db2.gz KCRADHMNPWGHHE-XGICHPGQSA-N -1 3 339.359 0.516 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)NCC(=O)C2CC2)cc(-c2nn[n-]n2)n1C ZINC000826235445 608213854 /nfs/dbraw/zinc/21/38/54/608213854.db2.gz KCRADHMNPWGHHE-XGICHPGQSA-N -1 3 339.359 0.516 20 50 ECGDHM CO[C@H]1CCCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826145764 608759833 /nfs/dbraw/zinc/75/98/33/608759833.db2.gz LUORBWCVNUYVSF-LBPRGKRZSA-N -1 3 345.363 0.332 20 50 ECGDHM CO[C@H]1CCCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826145764 608759835 /nfs/dbraw/zinc/75/98/35/608759835.db2.gz LUORBWCVNUYVSF-LBPRGKRZSA-N -1 3 345.363 0.332 20 50 ECGDHM O=C(NNc1nc(=O)c2ccccc2[nH]1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826449874 609224306 /nfs/dbraw/zinc/22/43/06/609224306.db2.gz NARYBRNNKVIYQE-UHFFFAOYSA-N -1 3 337.303 0.601 20 50 ECGDHM N#Cc1ccc([C@@H](O)C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826384578 609254469 /nfs/dbraw/zinc/25/44/69/609254469.db2.gz AZTKCSSAMRSTEQ-CQSZACIVSA-N -1 3 335.327 0.915 20 50 ECGDHM C=CCOCCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000823925576 609264923 /nfs/dbraw/zinc/26/49/23/609264923.db2.gz MIISMIWEWXCNPV-JYRVWZFOSA-N -1 3 341.375 0.739 20 50 ECGDHM C=CCOCCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000823925576 609264924 /nfs/dbraw/zinc/26/49/24/609264924.db2.gz MIISMIWEWXCNPV-JYRVWZFOSA-N -1 3 341.375 0.739 20 50 ECGDHM C=CCOCCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823924926 609596284 /nfs/dbraw/zinc/59/62/84/609596284.db2.gz AIAJZSNOYCQRTB-UHFFFAOYSA-N -1 3 331.336 0.013 20 50 ECGDHM C=CCOCCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823924926 609596287 /nfs/dbraw/zinc/59/62/87/609596287.db2.gz AIAJZSNOYCQRTB-UHFFFAOYSA-N -1 3 331.336 0.013 20 50 ECGDHM O=C(CCCCN1CCOCC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406268 607334313 /nfs/dbraw/zinc/33/43/13/607334313.db2.gz OYLQDVVMBIMLNZ-UHFFFAOYSA-N -1 3 345.407 0.812 20 50 ECGDHM Cc1n[nH]c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000826233388 607356867 /nfs/dbraw/zinc/35/68/67/607356867.db2.gz FQNDEMLMBVUJKO-UHFFFAOYSA-N -1 3 329.280 0.563 20 50 ECGDHM CCN(CC(=O)NNc1oc(C(C)C)nc1-c1nnn[n-]1)C1CC1 ZINC000825395754 607570687 /nfs/dbraw/zinc/57/06/87/607570687.db2.gz VFBGKZWCVNARGC-UHFFFAOYSA-N -1 3 334.384 0.906 20 50 ECGDHM CCN(CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)C1CC1 ZINC000825395754 607570689 /nfs/dbraw/zinc/57/06/89/607570689.db2.gz VFBGKZWCVNARGC-UHFFFAOYSA-N -1 3 334.384 0.906 20 50 ECGDHM C[C@@H]1CCCC[C@@]1(CNC(=O)[O-])NCC(=O)NNC(=O)C(C)(C)C ZINC000825897757 603560829 /nfs/dbraw/zinc/56/08/29/603560829.db2.gz ZBYUMORQXITHNL-BZNIZROVSA-N -1 3 342.440 0.986 20 50 ECGDHM O=C(CCCN1C(=O)CCC1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406407 607714289 /nfs/dbraw/zinc/71/42/89/607714289.db2.gz VURFSGRNHZTWEG-UHFFFAOYSA-N -1 3 343.347 0.239 20 50 ECGDHM O=C(CCCN1C(=O)CCC1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406407 607714291 /nfs/dbraw/zinc/71/42/91/607714291.db2.gz VURFSGRNHZTWEG-UHFFFAOYSA-N -1 3 343.347 0.239 20 50 ECGDHM C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824470052 607730650 /nfs/dbraw/zinc/73/06/50/607730650.db2.gz FKSYYSVPSBSENF-VIFPVBQESA-N -1 3 331.380 0.861 20 50 ECGDHM C[C@H](NC(=O)C(C)(C)C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824470052 607730651 /nfs/dbraw/zinc/73/06/51/607730651.db2.gz FKSYYSVPSBSENF-VIFPVBQESA-N -1 3 331.380 0.861 20 50 ECGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cn[nH]c1 ZINC000824499679 607939589 /nfs/dbraw/zinc/93/95/89/607939589.db2.gz RAHHHFVQZBTQHZ-MRVPVSSYSA-N -1 3 341.335 0.295 20 50 ECGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cn[nH]c1 ZINC000824499679 607939590 /nfs/dbraw/zinc/93/95/90/607939590.db2.gz RAHHHFVQZBTQHZ-MRVPVSSYSA-N -1 3 341.335 0.295 20 50 ECGDHM O=C(NNc1ccccn1)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826449312 608141511 /nfs/dbraw/zinc/14/15/11/608141511.db2.gz MDNXZJQHTNCCPH-UHFFFAOYSA-N -1 3 342.294 0.483 20 50 ECGDHM O=C(NNc1ccccn1)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826449312 608141512 /nfs/dbraw/zinc/14/15/12/608141512.db2.gz MDNXZJQHTNCCPH-UHFFFAOYSA-N -1 3 342.294 0.483 20 50 ECGDHM CN(C)c1nccc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825888830 608388310 /nfs/dbraw/zinc/38/83/10/608388310.db2.gz WBHMITVIYIALFW-UHFFFAOYSA-N -1 3 337.347 0.487 20 50 ECGDHM CN(C)c1nccc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825888830 608388312 /nfs/dbraw/zinc/38/83/12/608388312.db2.gz WBHMITVIYIALFW-UHFFFAOYSA-N -1 3 337.347 0.487 20 50 ECGDHM COC(=O)CNC(=O)NN=C(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826138434 609278845 /nfs/dbraw/zinc/27/88/45/609278845.db2.gz UWWQXHGGUASBKE-UHFFFAOYSA-N -1 3 335.299 0.202 20 50 ECGDHM COC(=O)CNC(=O)NN=C(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826138434 609278843 /nfs/dbraw/zinc/27/88/43/609278843.db2.gz UWWQXHGGUASBKE-UHFFFAOYSA-N -1 3 335.299 0.202 20 50 ECGDHM CNC(=O)NN=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826068783 609304337 /nfs/dbraw/zinc/30/43/37/609304337.db2.gz YZAWNYRBEZESFC-UHFFFAOYSA-N -1 3 325.336 0.530 20 50 ECGDHM CNC(=O)NN=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826068783 609304339 /nfs/dbraw/zinc/30/43/39/609304339.db2.gz YZAWNYRBEZESFC-UHFFFAOYSA-N -1 3 325.336 0.530 20 50 ECGDHM CN(N=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1)C(N)=O ZINC000826004245 609305270 /nfs/dbraw/zinc/30/52/70/609305270.db2.gz PJCYTELRTZJXOF-UHFFFAOYSA-N -1 3 325.336 0.612 20 50 ECGDHM CN(N=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1)C(N)=O ZINC000826004245 609305271 /nfs/dbraw/zinc/30/52/71/609305271.db2.gz PJCYTELRTZJXOF-UHFFFAOYSA-N -1 3 325.336 0.612 20 50 ECGDHM O=C(COc1ccc(F)cc1)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826418129 609411139 /nfs/dbraw/zinc/41/11/39/609411139.db2.gz SAMZDWXLZHSGHL-UHFFFAOYSA-N -1 3 345.294 0.174 20 50 ECGDHM O=C(COc1ccc(F)cc1)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826418129 609411140 /nfs/dbraw/zinc/41/11/40/609411140.db2.gz SAMZDWXLZHSGHL-UHFFFAOYSA-N -1 3 345.294 0.174 20 50 ECGDHM O=C(NNC(=O)c1cccc2ncccc21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826445212 609457625 /nfs/dbraw/zinc/45/76/25/609457625.db2.gz LAUDOMLFVKSIQP-UHFFFAOYSA-N -1 3 348.326 0.818 20 50 ECGDHM O=C(NNC(=O)c1cccc2ncccc21)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826445212 609457622 /nfs/dbraw/zinc/45/76/22/609457622.db2.gz LAUDOMLFVKSIQP-UHFFFAOYSA-N -1 3 348.326 0.818 20 50 ECGDHM CC(=O)N1CCC(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000823973485 607341472 /nfs/dbraw/zinc/34/14/72/607341472.db2.gz KEPJOZGXRROQRC-UHFFFAOYSA-N -1 3 329.364 0.568 20 50 ECGDHM CC(C)c1nc(C#N)c(NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)o1 ZINC000824358492 607711367 /nfs/dbraw/zinc/71/13/67/607711367.db2.gz LNZOJXIOZROFHE-UHFFFAOYSA-N -1 3 327.308 0.935 20 50 ECGDHM CC(C)c1nc(C#N)c(NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)o1 ZINC000824358492 607711369 /nfs/dbraw/zinc/71/13/69/607711369.db2.gz LNZOJXIOZROFHE-UHFFFAOYSA-N -1 3 327.308 0.935 20 50 ECGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNc1cccc([N+](=O)[O-])c1 ZINC000826358285 607712602 /nfs/dbraw/zinc/71/26/02/607712602.db2.gz NILKAIZNFAYZSS-UHFFFAOYSA-N -1 3 328.292 0.870 20 50 ECGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNc1cccc([N+](=O)[O-])c1 ZINC000826358285 607712603 /nfs/dbraw/zinc/71/26/03/607712603.db2.gz NILKAIZNFAYZSS-UHFFFAOYSA-N -1 3 328.292 0.870 20 50 ECGDHM NC(=O)c1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC000826392531 607724896 /nfs/dbraw/zinc/72/48/96/607724896.db2.gz BQRPJSHACCMOAE-UHFFFAOYSA-N -1 3 329.345 0.784 20 50 ECGDHM NC(=O)c1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC000826392531 607724898 /nfs/dbraw/zinc/72/48/98/607724898.db2.gz BQRPJSHACCMOAE-UHFFFAOYSA-N -1 3 329.345 0.784 20 50 ECGDHM COc1ccccc1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826218638 607734072 /nfs/dbraw/zinc/73/40/72/607734072.db2.gz HUGMOVKFRYKIGQ-UHFFFAOYSA-N -1 3 327.304 0.278 20 50 ECGDHM COc1ccccc1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826218638 607734073 /nfs/dbraw/zinc/73/40/73/607734073.db2.gz HUGMOVKFRYKIGQ-UHFFFAOYSA-N -1 3 327.304 0.278 20 50 ECGDHM O=C(NNc1ccc(C(F)(F)F)nn1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826447804 607849158 /nfs/dbraw/zinc/84/91/58/607849158.db2.gz WTDNIDIDNYXIBA-UHFFFAOYSA-N -1 3 339.241 0.761 20 50 ECGDHM O=C(NNC(=O)C1SCCS1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444918 608046701 /nfs/dbraw/zinc/04/67/01/608046701.db2.gz ZGWLQPQWOQWNLQ-UHFFFAOYSA-N -1 3 336.402 0.434 20 50 ECGDHM O=C(NNC(=O)C1SCCS1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444918 608046702 /nfs/dbraw/zinc/04/67/02/608046702.db2.gz ZGWLQPQWOQWNLQ-UHFFFAOYSA-N -1 3 336.402 0.434 20 50 ECGDHM C[C@H]1CCC[C@@H]1C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824925249 608132961 /nfs/dbraw/zinc/13/29/61/608132961.db2.gz CEHSNQBSQABFAU-GWCFXTLKSA-N -1 3 344.375 0.829 20 50 ECGDHM Cc1cccc(OCC(=O)NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000826300077 609408563 /nfs/dbraw/zinc/40/85/63/609408563.db2.gz HUGFIQLOYZRGAZ-UHFFFAOYSA-N -1 3 341.331 0.343 20 50 ECGDHM Cc1cccc(OCC(=O)NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000826300077 609408566 /nfs/dbraw/zinc/40/85/66/609408566.db2.gz HUGFIQLOYZRGAZ-UHFFFAOYSA-N -1 3 341.331 0.343 20 50 ECGDHM CCCC[C@H](NC(N)=O)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825267236 607337446 /nfs/dbraw/zinc/33/74/46/607337446.db2.gz JXTXJWSJXJNQJC-NSHDSACASA-N -1 3 332.368 0.537 20 50 ECGDHM CCCC[C@H](NC(N)=O)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825267236 607337448 /nfs/dbraw/zinc/33/74/48/607337448.db2.gz JXTXJWSJXJNQJC-NSHDSACASA-N -1 3 332.368 0.537 20 50 ECGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000826446144 607344550 /nfs/dbraw/zinc/34/45/50/607344550.db2.gz BHPYYLMPPUCXOE-YOGCLGLASA-N -1 3 342.359 0.552 20 50 ECGDHM CC(C)[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)N1CCCC1=O ZINC000824184292 607353411 /nfs/dbraw/zinc/35/34/11/607353411.db2.gz FKDAUXZYEPDDEN-AWEZNQCLSA-N -1 3 343.391 0.957 20 50 ECGDHM O=C(CNC(=O)c1ccccc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826412220 607712453 /nfs/dbraw/zinc/71/24/53/607712453.db2.gz GQHADKCUPIALGS-UHFFFAOYSA-N -1 3 337.343 0.740 20 50 ECGDHM O=C(CNC(=O)c1ccccc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826412220 607712455 /nfs/dbraw/zinc/71/24/55/607712455.db2.gz GQHADKCUPIALGS-UHFFFAOYSA-N -1 3 337.343 0.740 20 50 ECGDHM NC(=O)N1CCC[C@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000826391984 607714349 /nfs/dbraw/zinc/71/43/49/607714349.db2.gz JYSFOKIJCMKOJY-JTQLQIEISA-N -1 3 330.352 0.101 20 50 ECGDHM NC(=O)N1CCC[C@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000826391984 607714351 /nfs/dbraw/zinc/71/43/51/607714351.db2.gz JYSFOKIJCMKOJY-JTQLQIEISA-N -1 3 330.352 0.101 20 50 ECGDHM O=C(CCOC[C@@H]1CCCO1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826408153 607723216 /nfs/dbraw/zinc/72/32/16/607723216.db2.gz ROZWFIHGCCPMSD-ZDUSSCGKSA-N -1 3 332.364 0.896 20 50 ECGDHM O=C(CCOC[C@@H]1CCCO1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826408153 607723218 /nfs/dbraw/zinc/72/32/18/607723218.db2.gz ROZWFIHGCCPMSD-ZDUSSCGKSA-N -1 3 332.364 0.896 20 50 ECGDHM CC1=C(C(=O)NNc2cccc(-c3nnn[n-]3)c2)C(=O)OC1(C)C ZINC000824852264 607729446 /nfs/dbraw/zinc/72/94/46/607729446.db2.gz IWAQCRDHYWWEKD-UHFFFAOYSA-N -1 3 328.332 0.962 20 50 ECGDHM CC1=C(C(=O)NNc2cccc(-c3nn[n-]n3)c2)C(=O)OC1(C)C ZINC000824852264 607729448 /nfs/dbraw/zinc/72/94/48/607729448.db2.gz IWAQCRDHYWWEKD-UHFFFAOYSA-N -1 3 328.332 0.962 20 50 ECGDHM O=C(COCc1ccccc1)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826416459 607741535 /nfs/dbraw/zinc/74/15/35/607741535.db2.gz AKUDOHCXIHUXNJ-UHFFFAOYSA-N -1 3 341.331 0.173 20 50 ECGDHM O=C(COCc1ccccc1)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826416459 607741536 /nfs/dbraw/zinc/74/15/36/607741536.db2.gz AKUDOHCXIHUXNJ-UHFFFAOYSA-N -1 3 341.331 0.173 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@@H](CO)C2)cc(-c2nnn[n-]2)n1C ZINC000826235916 607996343 /nfs/dbraw/zinc/99/63/43/607996343.db2.gz UOGFWQNAGLSYTM-MYMMUUHESA-N -1 3 341.375 0.261 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@@H](CO)C2)cc(-c2nn[n-]n2)n1C ZINC000826235916 607996344 /nfs/dbraw/zinc/99/63/44/607996344.db2.gz UOGFWQNAGLSYTM-MYMMUUHESA-N -1 3 341.375 0.261 20 50 ECGDHM O=C(CCc1ccccc1O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826409436 608147751 /nfs/dbraw/zinc/14/77/51/608147751.db2.gz YSWXPJAUQKTDMK-UHFFFAOYSA-N -1 3 341.331 0.294 20 50 ECGDHM O=C(CCc1ccccc1O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826409436 608147753 /nfs/dbraw/zinc/14/77/53/608147753.db2.gz YSWXPJAUQKTDMK-UHFFFAOYSA-N -1 3 341.331 0.294 20 50 ECGDHM CN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)CBr ZINC000825977098 608804596 /nfs/dbraw/zinc/80/45/96/608804596.db2.gz WTIOUZQTEUVIEE-UHFFFAOYSA-N -1 3 346.210 0.981 20 50 ECGDHM CN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)CBr ZINC000825977098 608804598 /nfs/dbraw/zinc/80/45/98/608804598.db2.gz WTIOUZQTEUVIEE-UHFFFAOYSA-N -1 3 346.210 0.981 20 50 ECGDHM COC1(C)CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000826143869 609261297 /nfs/dbraw/zinc/26/12/97/609261297.db2.gz SXSMUONXPGYXBM-XGICHPGQSA-N -1 3 341.375 0.668 20 50 ECGDHM COC1(C)CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000826143869 609261298 /nfs/dbraw/zinc/26/12/98/609261298.db2.gz SXSMUONXPGYXBM-XGICHPGQSA-N -1 3 341.375 0.668 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)NCCOC(N)=O)cc(-c2nnn[n-]2)n1C ZINC000826235994 609295264 /nfs/dbraw/zinc/29/52/64/609295264.db2.gz WHMMZZADKVPYTG-BJMVGYQFSA-N -1 3 344.335 0.046 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)NCCOC(N)=O)cc(-c2nn[n-]n2)n1C ZINC000826235994 609295266 /nfs/dbraw/zinc/29/52/66/609295266.db2.gz WHMMZZADKVPYTG-BJMVGYQFSA-N -1 3 344.335 0.046 20 50 ECGDHM O=C(CNC(=O)c1ccccc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826412459 607339394 /nfs/dbraw/zinc/33/93/94/607339394.db2.gz OOKSQESDIIHJOY-UHFFFAOYSA-N -1 3 337.343 0.740 20 50 ECGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C1(C(=O)NC2CC2)CCC1 ZINC000826446779 607357025 /nfs/dbraw/zinc/35/70/25/607357025.db2.gz YDDDUCVQMMEMJK-UHFFFAOYSA-N -1 3 341.375 0.759 20 50 ECGDHM O=C(NNC(=O)C1CCC(=O)CC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823525265 599699496 /nfs/dbraw/zinc/69/94/96/599699496.db2.gz JQJYRMCASOXULT-UHFFFAOYSA-N -1 3 328.332 0.387 20 50 ECGDHM O=C(NNC(=O)C1CCC(=O)CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823525265 599699497 /nfs/dbraw/zinc/69/94/97/599699497.db2.gz JQJYRMCASOXULT-UHFFFAOYSA-N -1 3 328.332 0.387 20 50 ECGDHM C[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)N1CCSCC1 ZINC000824041207 607570773 /nfs/dbraw/zinc/57/07/73/607570773.db2.gz ZHMJARMOZJLNTH-SNVBAGLBSA-N -1 3 333.421 0.747 20 50 ECGDHM CCC(=O)N1CSC[C@@H]1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825034398 607720616 /nfs/dbraw/zinc/72/06/16/607720616.db2.gz JMVXBYJRSALZMX-LLVKDONJSA-N -1 3 347.404 0.621 20 50 ECGDHM CCC(=O)N1CSC[C@@H]1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825034398 607720618 /nfs/dbraw/zinc/72/06/18/607720618.db2.gz JMVXBYJRSALZMX-LLVKDONJSA-N -1 3 347.404 0.621 20 50 ECGDHM O=C(CCCc1ccccc1)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826406836 607722284 /nfs/dbraw/zinc/72/22/84/607722284.db2.gz PFPYEKZDWGMMEJ-UHFFFAOYSA-N -1 3 339.359 0.979 20 50 ECGDHM O=C(CCCc1ccccc1)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826406836 607722286 /nfs/dbraw/zinc/72/22/86/607722286.db2.gz PFPYEKZDWGMMEJ-UHFFFAOYSA-N -1 3 339.359 0.979 20 50 ECGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@]12CCC(=O)N1CCS2 ZINC000826480232 607723606 /nfs/dbraw/zinc/72/36/06/607723606.db2.gz VINPNFIHLTYIGW-AWEZNQCLSA-N -1 3 345.388 0.375 20 50 ECGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@]12CCC(=O)N1CCS2 ZINC000826480232 607723608 /nfs/dbraw/zinc/72/36/08/607723608.db2.gz VINPNFIHLTYIGW-AWEZNQCLSA-N -1 3 345.388 0.375 20 50 ECGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(-n2ccnc2)nn1 ZINC000826448774 607730882 /nfs/dbraw/zinc/73/08/82/607730882.db2.gz KYIGYASLUNXDQV-UHFFFAOYSA-N -1 3 348.330 0.599 20 50 ECGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(-n2ccnc2)nn1 ZINC000826448774 607730884 /nfs/dbraw/zinc/73/08/84/607730884.db2.gz KYIGYASLUNXDQV-UHFFFAOYSA-N -1 3 348.330 0.599 20 50 ECGDHM O=C(NNc1nc(=O)c2ccccc2[nH]1)c1ccc(-c2nnn[n-]2)nc1 ZINC000823284037 606913471 /nfs/dbraw/zinc/91/34/71/606913471.db2.gz AFDHRXKKYIHJKR-UHFFFAOYSA-N -1 3 349.314 0.667 20 50 ECGDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NNc1ccccn1 ZINC000826277146 608141154 /nfs/dbraw/zinc/14/11/54/608141154.db2.gz KTAUVNFUQLVRGS-UHFFFAOYSA-N -1 3 338.331 0.652 20 50 ECGDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NNc1ccccn1 ZINC000826277146 608141155 /nfs/dbraw/zinc/14/11/55/608141155.db2.gz KTAUVNFUQLVRGS-UHFFFAOYSA-N -1 3 338.331 0.652 20 50 ECGDHM Cc1ncn(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826331837 608220383 /nfs/dbraw/zinc/22/03/83/608220383.db2.gz ZVYKEKGLTRTUMI-UHFFFAOYSA-N -1 3 340.347 0.141 20 50 ECGDHM CC1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824947571 608311019 /nfs/dbraw/zinc/31/10/19/608311019.db2.gz PDDWCGKHSAAZOY-UHFFFAOYSA-N -1 3 329.364 0.953 20 50 ECGDHM CC1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824947571 608311021 /nfs/dbraw/zinc/31/10/21/608311021.db2.gz PDDWCGKHSAAZOY-UHFFFAOYSA-N -1 3 329.364 0.953 20 50 ECGDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NN(C)C(N)=O ZINC000826175988 608863513 /nfs/dbraw/zinc/86/35/13/608863513.db2.gz WWEJDCZBLCYRLF-UHFFFAOYSA-N -1 3 349.351 0.076 20 50 ECGDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NN(C)C(N)=O ZINC000826175988 608863515 /nfs/dbraw/zinc/86/35/15/608863515.db2.gz WWEJDCZBLCYRLF-UHFFFAOYSA-N -1 3 349.351 0.076 20 50 ECGDHM CCNC(=O)N(C)NC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000825471191 609165819 /nfs/dbraw/zinc/16/58/19/609165819.db2.gz PGHLTJGYYQMBJG-UHFFFAOYSA-N -1 3 335.393 0.651 20 50 ECGDHM CCNC(=O)N(C)NC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000825471191 609165821 /nfs/dbraw/zinc/16/58/21/609165821.db2.gz PGHLTJGYYQMBJG-UHFFFAOYSA-N -1 3 335.393 0.651 20 50 ECGDHM COc1cccc(NNC(=O)COc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826216747 609173847 /nfs/dbraw/zinc/17/38/47/609173847.db2.gz LWABCYPNSJXHOP-UHFFFAOYSA-N -1 3 341.331 0.792 20 50 ECGDHM COc1cccc(NNC(=O)COc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826216747 609173849 /nfs/dbraw/zinc/17/38/49/609173849.db2.gz LWABCYPNSJXHOP-UHFFFAOYSA-N -1 3 341.331 0.792 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)NNc2ccccn2)cc(-c2nnn[n-]2)n1C ZINC000826236004 609262227 /nfs/dbraw/zinc/26/22/27/609262227.db2.gz WLLLHMUROAPDFH-GHXNOFRVSA-N -1 3 349.358 0.959 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)NNc2ccccn2)cc(-c2nn[n-]n2)n1C ZINC000826236004 609262229 /nfs/dbraw/zinc/26/22/29/609262229.db2.gz WLLLHMUROAPDFH-GHXNOFRVSA-N -1 3 349.358 0.959 20 50 ECGDHM C[C@H](Sc1nncn1C)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824764703 607343057 /nfs/dbraw/zinc/34/30/57/607343057.db2.gz XMTXESBGYXKOFW-QMMMGPOBSA-N -1 3 345.392 0.619 20 50 ECGDHM CC[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)N1CCCC1=O ZINC000825039349 607344115 /nfs/dbraw/zinc/34/41/15/607344115.db2.gz PYIXIJWPEYHROB-LBPRGKRZSA-N -1 3 329.364 0.711 20 50 ECGDHM C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824731836 607345383 /nfs/dbraw/zinc/34/53/83/607345383.db2.gz ZDBIKXPQDHFBEA-GWCFXTLKSA-N -1 3 332.364 0.894 20 50 ECGDHM O=C(CCCn1ccccc1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406858 607345956 /nfs/dbraw/zinc/34/59/56/607345956.db2.gz QILMVLLPUOAZQL-UHFFFAOYSA-N -1 3 339.359 0.952 20 50 ECGDHM COc1ncnc(OC)c1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826222161 607349362 /nfs/dbraw/zinc/34/93/62/607349362.db2.gz LPAONVXDAAODBP-UHFFFAOYSA-N -1 3 342.319 0.431 20 50 ECGDHM C[C@H](NC(=O)c1ccoc1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824522128 607353483 /nfs/dbraw/zinc/35/34/83/607353483.db2.gz QLOKGZSUJWZAMY-VIFPVBQESA-N -1 3 341.331 0.721 20 50 ECGDHM O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nnn[n-]2)cn1 ZINC000823280589 607160342 /nfs/dbraw/zinc/16/03/42/607160342.db2.gz CHGJOERYUYGCCW-UHFFFAOYSA-N -1 3 326.276 0.927 20 50 ECGDHM O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823280589 607160343 /nfs/dbraw/zinc/16/03/43/607160343.db2.gz CHGJOERYUYGCCW-UHFFFAOYSA-N -1 3 326.276 0.927 20 50 ECGDHM CSCCNC(=S)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826229278 607783462 /nfs/dbraw/zinc/78/34/62/607783462.db2.gz XZSDKEMIYKDOBS-UHFFFAOYSA-N -1 3 337.434 0.339 20 50 ECGDHM CSCCNC(=S)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826229278 607783463 /nfs/dbraw/zinc/78/34/63/607783463.db2.gz XZSDKEMIYKDOBS-UHFFFAOYSA-N -1 3 337.434 0.339 20 50 ECGDHM CC1=CCN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824851545 607924553 /nfs/dbraw/zinc/92/45/53/607924553.db2.gz AEEJYBJUBXGWIQ-UHFFFAOYSA-N -1 3 341.375 0.280 20 50 ECGDHM CC1=CCN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824851545 607924554 /nfs/dbraw/zinc/92/45/54/607924554.db2.gz AEEJYBJUBXGWIQ-UHFFFAOYSA-N -1 3 341.375 0.280 20 50 ECGDHM O=C(NNc1ccccn1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1F ZINC000826449236 608141429 /nfs/dbraw/zinc/14/14/29/608141429.db2.gz ISNZBIZKXDXSNI-UHFFFAOYSA-N -1 3 342.294 0.483 20 50 ECGDHM O=C(NNc1ccccn1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1F ZINC000826449236 608141430 /nfs/dbraw/zinc/14/14/30/608141430.db2.gz ISNZBIZKXDXSNI-UHFFFAOYSA-N -1 3 342.294 0.483 20 50 ECGDHM C[C@@H]1CC(=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824857480 608290035 /nfs/dbraw/zinc/29/00/35/608290035.db2.gz CODDTXMHRHJDEL-SNVBAGLBSA-N -1 3 330.348 0.917 20 50 ECGDHM CO[C@H]1CCCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826145545 608762454 /nfs/dbraw/zinc/76/24/54/608762454.db2.gz IODUFBVEPPXEGH-LBPRGKRZSA-N -1 3 345.363 0.332 20 50 ECGDHM CO[C@H]1CCCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826145545 608762459 /nfs/dbraw/zinc/76/24/59/608762459.db2.gz IODUFBVEPPXEGH-LBPRGKRZSA-N -1 3 345.363 0.332 20 50 ECGDHM COc1cccc(NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826216490 609174315 /nfs/dbraw/zinc/17/43/15/609174315.db2.gz AXGQCUGMMRRSAG-UHFFFAOYSA-N -1 3 341.331 0.792 20 50 ECGDHM N#Cc1ccc([C@H](O)C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826385126 609254544 /nfs/dbraw/zinc/25/45/44/609254544.db2.gz YHSIDIPHCSRUCR-AWEZNQCLSA-N -1 3 335.327 0.915 20 50 ECGDHM N#Cc1ccc([C@H](O)C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826385126 609254545 /nfs/dbraw/zinc/25/45/45/609254545.db2.gz YHSIDIPHCSRUCR-AWEZNQCLSA-N -1 3 335.327 0.915 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)NC2=NO[C@H](C)C2)cc(-c2nn[n-]n2)n1C ZINC000826236087 609261856 /nfs/dbraw/zinc/26/18/56/609261856.db2.gz YCQFAUALYKEVBW-SOUAVXJDSA-N -1 3 340.347 0.659 20 50 ECGDHM CC(C)[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NN(C)C(N)=O ZINC000824207375 609394054 /nfs/dbraw/zinc/39/40/54/609394054.db2.gz VHHCQCVCJXORTI-NSHDSACASA-N -1 3 333.352 0.312 20 50 ECGDHM CC(C)[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NN(C)C(N)=O ZINC000824207375 609394056 /nfs/dbraw/zinc/39/40/56/609394056.db2.gz VHHCQCVCJXORTI-NSHDSACASA-N -1 3 333.352 0.312 20 50 ECGDHM Cc1ccc(OCC(=O)NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826291945 609408513 /nfs/dbraw/zinc/40/85/13/609408513.db2.gz BYCVXWQKVOFAFI-UHFFFAOYSA-N -1 3 341.331 0.343 20 50 ECGDHM Cc1ccc(OCC(=O)NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826291945 609408516 /nfs/dbraw/zinc/40/85/16/609408516.db2.gz BYCVXWQKVOFAFI-UHFFFAOYSA-N -1 3 341.331 0.343 20 50 ECGDHM O=C(CNC(=O)c1ccsc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826412167 607463636 /nfs/dbraw/zinc/46/36/36/607463636.db2.gz DQKAJCTWKFAMCJ-UHFFFAOYSA-N -1 3 343.372 0.801 20 50 ECGDHM O=C(CNC(=O)c1ccsc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826412167 607463637 /nfs/dbraw/zinc/46/36/37/607463637.db2.gz DQKAJCTWKFAMCJ-UHFFFAOYSA-N -1 3 343.372 0.801 20 50 ECGDHM CC(C)CC(=O)NNC(=O)[C@@H](C)N(CCC(=O)[O-])C1CCOCC1 ZINC000826754563 601049221 /nfs/dbraw/zinc/04/92/21/601049221.db2.gz PDNRHSRBNBCIDE-GFCCVEGCSA-N -1 3 343.424 0.524 20 50 ECGDHM CN(CCC1CC1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825918427 607564507 /nfs/dbraw/zinc/56/45/07/607564507.db2.gz FDZNEHVXOWUYNQ-UHFFFAOYSA-N -1 3 329.364 0.953 20 50 ECGDHM CN(CCC1CC1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825918427 607564509 /nfs/dbraw/zinc/56/45/09/607564509.db2.gz FDZNEHVXOWUYNQ-UHFFFAOYSA-N -1 3 329.364 0.953 20 50 ECGDHM C[C@H]1CCCC[C@@]1(CNC(=O)[O-])NCC(=O)NNC(=O)C(C)(C)C ZINC000825897759 603561368 /nfs/dbraw/zinc/56/13/68/603561368.db2.gz ZBYUMORQXITHNL-ZBEGNZNMSA-N -1 3 342.440 0.986 20 50 ECGDHM O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826422768 607683716 /nfs/dbraw/zinc/68/37/16/607683716.db2.gz LMLXSTBBSFTGPO-UHFFFAOYSA-N -1 3 345.750 0.852 20 50 ECGDHM O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826422768 607683718 /nfs/dbraw/zinc/68/37/18/607683718.db2.gz LMLXSTBBSFTGPO-UHFFFAOYSA-N -1 3 345.750 0.852 20 50 ECGDHM O=C(CN1Cc2ccccc2C1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826411905 607713923 /nfs/dbraw/zinc/71/39/23/607713923.db2.gz RPTLDXXRTGHRQV-UHFFFAOYSA-N -1 3 349.354 0.966 20 50 ECGDHM O=C(CN1Cc2ccccc2C1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826411905 607713925 /nfs/dbraw/zinc/71/39/25/607713925.db2.gz RPTLDXXRTGHRQV-UHFFFAOYSA-N -1 3 349.354 0.966 20 50 ECGDHM CC(C)C(=O)N1CCC[C@@H]1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824178576 607715020 /nfs/dbraw/zinc/71/50/20/607715020.db2.gz YLPPDUWQLZTFLT-CYBMUJFWSA-N -1 3 343.391 0.957 20 50 ECGDHM CC(C)C(=O)N1CCC[C@@H]1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824178576 607715022 /nfs/dbraw/zinc/71/50/22/607715022.db2.gz YLPPDUWQLZTFLT-CYBMUJFWSA-N -1 3 343.391 0.957 20 50 ECGDHM O=C([O-])N1CCC(n2cc(C(=O)NNc3ccncc3)nn2)CC1 ZINC000834048573 605814731 /nfs/dbraw/zinc/81/47/31/605814731.db2.gz MZNGGFWFVLYFAV-UHFFFAOYSA-N -1 3 331.336 0.167 20 50 ECGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc2n[nH]c(=O)n2c1 ZINC000826448660 608108105 /nfs/dbraw/zinc/10/81/05/608108105.db2.gz FOCJZOZOFQTGAU-UHFFFAOYSA-N -1 3 337.303 0.372 20 50 ECGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc2n[nH]c(=O)n2c1 ZINC000826448660 608108106 /nfs/dbraw/zinc/10/81/06/608108106.db2.gz FOCJZOZOFQTGAU-UHFFFAOYSA-N -1 3 337.303 0.372 20 50 ECGDHM O=C(NNC(=O)c1cnc2[nH]cnc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826445314 608121065 /nfs/dbraw/zinc/12/10/65/608121065.db2.gz OYTZJNNSAMPQDB-UHFFFAOYSA-N -1 3 349.314 0.213 20 50 ECGDHM CC(=O)C[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000823966845 608381562 /nfs/dbraw/zinc/38/15/62/608381562.db2.gz CBJKHDWIFJEDMR-CVSYOPMASA-N -1 3 341.375 0.904 20 50 ECGDHM CC(=O)C[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000823966845 608381564 /nfs/dbraw/zinc/38/15/64/608381564.db2.gz CBJKHDWIFJEDMR-CVSYOPMASA-N -1 3 341.375 0.904 20 50 ECGDHM CC[C@H](CSC)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825128258 608411248 /nfs/dbraw/zinc/41/12/48/608411248.db2.gz SGCQGRRTTVIBHN-LLVKDONJSA-N -1 3 349.420 0.952 20 50 ECGDHM CC[C@H](CSC)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825128258 608411251 /nfs/dbraw/zinc/41/12/51/608411251.db2.gz SGCQGRRTTVIBHN-LLVKDONJSA-N -1 3 349.420 0.952 20 50 ECGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNc1ccnc(F)c1 ZINC000826419374 609301500 /nfs/dbraw/zinc/30/15/00/609301500.db2.gz UYWRHUKZWUFEOA-UHFFFAOYSA-N -1 3 329.295 0.923 20 50 ECGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNc1ccnc(F)c1 ZINC000826419374 609301502 /nfs/dbraw/zinc/30/15/02/609301502.db2.gz UYWRHUKZWUFEOA-UHFFFAOYSA-N -1 3 329.295 0.923 20 50 ECGDHM O=C(CCc1ccccc1)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826409373 609452978 /nfs/dbraw/zinc/45/29/78/609452978.db2.gz VLAIFGZLZFLEOK-UHFFFAOYSA-N -1 3 325.332 0.589 20 50 ECGDHM O=C(CCc1ccccc1)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826409373 609452979 /nfs/dbraw/zinc/45/29/79/609452979.db2.gz VLAIFGZLZFLEOK-UHFFFAOYSA-N -1 3 325.332 0.589 20 50 ECGDHM O=C(CCCc1ccccc1)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826407015 609454482 /nfs/dbraw/zinc/45/44/82/609454482.db2.gz XEFVIRWXFGBCSC-UHFFFAOYSA-N -1 3 339.359 0.979 20 50 ECGDHM O=C(CCCc1ccccc1)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826407015 609454484 /nfs/dbraw/zinc/45/44/84/609454484.db2.gz XEFVIRWXFGBCSC-UHFFFAOYSA-N -1 3 339.359 0.979 20 50 ECGDHM CN(C)c1cnc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000825883925 609500766 /nfs/dbraw/zinc/50/07/66/609500766.db2.gz QCLVIAOEDPJOFK-UHFFFAOYSA-N -1 3 325.336 0.480 20 50 ECGDHM O=C(NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1cccc(-c2nnn[n-]2)c1 ZINC000826444725 609561383 /nfs/dbraw/zinc/56/13/83/609561383.db2.gz RNBXWNVJUIRHGX-IJLUTSLNSA-N -1 3 328.332 0.053 20 50 ECGDHM O=C(NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1cccc(-c2nn[n-]n2)c1 ZINC000826444725 609561385 /nfs/dbraw/zinc/56/13/85/609561385.db2.gz RNBXWNVJUIRHGX-IJLUTSLNSA-N -1 3 328.332 0.053 20 50 ECGDHM C[C@@H](Sc1nncn1C)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824764689 607343003 /nfs/dbraw/zinc/34/30/03/607343003.db2.gz XMTXESBGYXKOFW-MRVPVSSYSA-N -1 3 345.392 0.619 20 50 ECGDHM CC(C)CN(CCC(=O)[O-])CC(=O)NNC(=O)c1cccc(C#N)c1 ZINC000833486730 604605070 /nfs/dbraw/zinc/60/50/70/604605070.db2.gz QAFZHORXRLKFLE-UHFFFAOYSA-N -1 3 346.387 0.752 20 50 ECGDHM C[C@H](Sc1nncn1C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824764780 607717315 /nfs/dbraw/zinc/71/73/15/607717315.db2.gz YMVLQWWPOFHBFL-QMMMGPOBSA-N -1 3 345.392 0.619 20 50 ECGDHM C[C@H](Sc1nncn1C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824764780 607717317 /nfs/dbraw/zinc/71/73/17/607717317.db2.gz YMVLQWWPOFHBFL-QMMMGPOBSA-N -1 3 345.392 0.619 20 50 ECGDHM O=C(CCCNC(=O)C1CC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406213 607719386 /nfs/dbraw/zinc/71/93/86/607719386.db2.gz MUGQRUCJZHJFNK-UHFFFAOYSA-N -1 3 329.364 0.616 20 50 ECGDHM O=C(CCCNC(=O)C1CC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406213 607719388 /nfs/dbraw/zinc/71/93/88/607719388.db2.gz MUGQRUCJZHJFNK-UHFFFAOYSA-N -1 3 329.364 0.616 20 50 ECGDHM Cc1nn(C)c(C)c1C(=O)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826333023 607723120 /nfs/dbraw/zinc/72/31/20/607723120.db2.gz QQOQDPMJKXTAEI-UHFFFAOYSA-N -1 3 340.347 0.543 20 50 ECGDHM Cc1nn(C)c(C)c1C(=O)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826333023 607723122 /nfs/dbraw/zinc/72/31/22/607723122.db2.gz QQOQDPMJKXTAEI-UHFFFAOYSA-N -1 3 340.347 0.543 20 50 ECGDHM O=C(CCNC(=O)c1ccco1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826407479 607728133 /nfs/dbraw/zinc/72/81/33/607728133.db2.gz OLOLXNAFASHEPV-UHFFFAOYSA-N -1 3 341.331 0.723 20 50 ECGDHM O=C(CCNC(=O)c1ccco1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826407479 607728135 /nfs/dbraw/zinc/72/81/35/607728135.db2.gz OLOLXNAFASHEPV-UHFFFAOYSA-N -1 3 341.331 0.723 20 50 ECGDHM CCn1cc(C(=O)C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000825799678 607995368 /nfs/dbraw/zinc/99/53/68/607995368.db2.gz QKYRWPIYNPDQRT-UHFFFAOYSA-N -1 3 326.320 0.409 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H](CO)C2)cc(-c2nnn[n-]2)n1C ZINC000826235915 607996359 /nfs/dbraw/zinc/99/63/59/607996359.db2.gz UOGFWQNAGLSYTM-LEBPBNDJSA-N -1 3 341.375 0.261 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H](CO)C2)cc(-c2nn[n-]n2)n1C ZINC000826235915 607996360 /nfs/dbraw/zinc/99/63/60/607996360.db2.gz UOGFWQNAGLSYTM-LEBPBNDJSA-N -1 3 341.375 0.261 20 50 ECGDHM Cc1cccc(NC(=O)C(=O)NNc2ccccn2)c1-c1nnn[n-]1 ZINC000826299100 608141384 /nfs/dbraw/zinc/14/13/84/608141384.db2.gz QWQWSIRNGSTTLM-UHFFFAOYSA-N -1 3 338.331 0.652 20 50 ECGDHM Cc1cccc(NC(=O)C(=O)NNc2ccccn2)c1-c1nn[n-]n1 ZINC000826299100 608141385 /nfs/dbraw/zinc/14/13/85/608141385.db2.gz QWQWSIRNGSTTLM-UHFFFAOYSA-N -1 3 338.331 0.652 20 50 ECGDHM CCOCCN(C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825595063 608278491 /nfs/dbraw/zinc/27/84/91/608278491.db2.gz VZNGQLLTPICJKP-MDWZMJQESA-N -1 3 343.391 0.916 20 50 ECGDHM CCOCCN(C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825595063 608278493 /nfs/dbraw/zinc/27/84/93/608278493.db2.gz VZNGQLLTPICJKP-MDWZMJQESA-N -1 3 343.391 0.916 20 50 ECGDHM CC(=NNC(=O)c1cnn(C)c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953552 609159052 /nfs/dbraw/zinc/15/90/52/609159052.db2.gz GJAMLQSQFISWIF-UHFFFAOYSA-N -1 3 328.311 0.893 20 50 ECGDHM CC(=NNC(=O)c1cnn(C)c1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953552 609159054 /nfs/dbraw/zinc/15/90/54/609159054.db2.gz GJAMLQSQFISWIF-UHFFFAOYSA-N -1 3 328.311 0.893 20 50 ECGDHM O=C(NCCc1cccs1)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826440037 609449258 /nfs/dbraw/zinc/44/92/58/609449258.db2.gz VWKSFWFPMSWUIY-UHFFFAOYSA-N -1 3 346.376 0.443 20 50 ECGDHM O=C(NCCc1cccs1)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826440037 609449260 /nfs/dbraw/zinc/44/92/60/609449260.db2.gz VWKSFWFPMSWUIY-UHFFFAOYSA-N -1 3 346.376 0.443 20 50 ECGDHM CC[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825184706 609544717 /nfs/dbraw/zinc/54/47/17/609544717.db2.gz YLHVVMWXCOEWAA-CHWSQXEVSA-N -1 3 344.375 0.833 20 50 ECGDHM CC[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825184706 609544719 /nfs/dbraw/zinc/54/47/19/609544719.db2.gz YLHVVMWXCOEWAA-CHWSQXEVSA-N -1 3 344.375 0.833 20 50 ECGDHM CC[C@H]1C[C@@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000825182430 609552704 /nfs/dbraw/zinc/55/27/04/609552704.db2.gz IYYLPBBJRNPROA-STQMWFEESA-N -1 3 344.375 0.833 20 50 ECGDHM CC[C@H]1C[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000825182430 609552706 /nfs/dbraw/zinc/55/27/06/609552706.db2.gz IYYLPBBJRNPROA-STQMWFEESA-N -1 3 344.375 0.833 20 50 ECGDHM O=C(CNC(=O)c1cccs1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826412691 607344805 /nfs/dbraw/zinc/34/48/05/607344805.db2.gz ZEQMMVVUIXLDSA-UHFFFAOYSA-N -1 3 343.372 0.801 20 50 ECGDHM CC(C)[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)N1CCCC1=O ZINC000824184293 607353333 /nfs/dbraw/zinc/35/33/33/607353333.db2.gz FKDAUXZYEPDDEN-CQSZACIVSA-N -1 3 343.391 0.957 20 50 ECGDHM COc1ccc(CNC(=O)NNC(=O)CC(C)C)cc1-c1nnn[n-]1 ZINC000826200406 607571861 /nfs/dbraw/zinc/57/18/61/607571861.db2.gz OGSHHUKILBTVAC-UHFFFAOYSA-N -1 3 347.379 0.752 20 50 ECGDHM COc1ccc(CNC(=O)NNC(=O)CC(C)C)cc1-c1nn[n-]n1 ZINC000826200406 607571863 /nfs/dbraw/zinc/57/18/63/607571863.db2.gz OGSHHUKILBTVAC-UHFFFAOYSA-N -1 3 347.379 0.752 20 50 ECGDHM CS(=O)(=O)c1ccc(NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826224038 607756096 /nfs/dbraw/zinc/75/60/96/607756096.db2.gz LUQYMVOTCSPHPX-UHFFFAOYSA-N -1 3 347.360 0.355 20 50 ECGDHM CS(=O)(=O)c1ccc(NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826224038 607756097 /nfs/dbraw/zinc/75/60/97/607756097.db2.gz LUQYMVOTCSPHPX-UHFFFAOYSA-N -1 3 347.360 0.355 20 50 ECGDHM Cc1c(C=NNC(=O)COc2ccccc2-c2nnn[n-]2)cnn1C ZINC000826235084 607882717 /nfs/dbraw/zinc/88/27/17/607882717.db2.gz BGXMGXBWLQJKSM-UHFFFAOYSA-N -1 3 340.347 0.438 20 50 ECGDHM Cc1c(C=NNC(=O)COc2ccccc2-c2nn[n-]n2)cnn1C ZINC000826235084 607882718 /nfs/dbraw/zinc/88/27/18/607882718.db2.gz BGXMGXBWLQJKSM-UHFFFAOYSA-N -1 3 340.347 0.438 20 50 ECGDHM CC[C@@H](CCO)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825115244 607907618 /nfs/dbraw/zinc/90/76/18/607907618.db2.gz VSQFENPROBMYCW-OTAKNEKHSA-N -1 3 343.391 0.698 20 50 ECGDHM CC[C@@H](CCO)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825115244 607907619 /nfs/dbraw/zinc/90/76/19/607907619.db2.gz VSQFENPROBMYCW-OTAKNEKHSA-N -1 3 343.391 0.698 20 50 ECGDHM CO[C@@H]1CCCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826145544 608762706 /nfs/dbraw/zinc/76/27/06/608762706.db2.gz IODUFBVEPPXEGH-GFCCVEGCSA-N -1 3 345.363 0.332 20 50 ECGDHM CO[C@@H]1CCCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826145544 608762707 /nfs/dbraw/zinc/76/27/07/608762707.db2.gz IODUFBVEPPXEGH-GFCCVEGCSA-N -1 3 345.363 0.332 20 50 ECGDHM CN(C)c1ncc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000825883418 608816575 /nfs/dbraw/zinc/81/65/75/608816575.db2.gz GVQFXUPOMVVRAC-UHFFFAOYSA-N -1 3 340.351 0.871 20 50 ECGDHM CN(C)c1ncc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000825883418 608816576 /nfs/dbraw/zinc/81/65/76/608816576.db2.gz GVQFXUPOMVVRAC-UHFFFAOYSA-N -1 3 340.351 0.871 20 50 ECGDHM CC(=NNC(=O)c1cnccn1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953474 609159196 /nfs/dbraw/zinc/15/91/96/609159196.db2.gz BVNITPCTDUCAAP-UHFFFAOYSA-N -1 3 326.295 0.950 20 50 ECGDHM CC(=NNC(=O)c1cnccn1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953474 609159198 /nfs/dbraw/zinc/15/91/98/609159198.db2.gz BVNITPCTDUCAAP-UHFFFAOYSA-N -1 3 326.295 0.950 20 50 ECGDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NNc1ccnc(F)c1 ZINC000826418869 609301343 /nfs/dbraw/zinc/30/13/43/609301343.db2.gz ZMQKLYACPWLPIK-UHFFFAOYSA-N -1 3 329.295 0.923 20 50 ECGDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NNc1ccnc(F)c1 ZINC000826418869 609301344 /nfs/dbraw/zinc/30/13/44/609301344.db2.gz ZMQKLYACPWLPIK-UHFFFAOYSA-N -1 3 329.295 0.923 20 50 ECGDHM NC(=O)c1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826392594 607348493 /nfs/dbraw/zinc/34/84/93/607348493.db2.gz DXPUXKAVFBNVEV-UHFFFAOYSA-N -1 3 329.345 0.784 20 50 ECGDHM CCc1n[nH]c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1[N+](=O)[O-] ZINC000825679865 607464565 /nfs/dbraw/zinc/46/45/65/607464565.db2.gz LIDZMGSKIWLOQJ-UHFFFAOYSA-N -1 3 343.307 0.817 20 50 ECGDHM O=C(Cn1cc([N+](=O)[O-])cn1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826424424 607731583 /nfs/dbraw/zinc/73/15/83/607731583.db2.gz LRLVTSYOPKVCFE-UHFFFAOYSA-N -1 3 329.280 0.115 20 50 ECGDHM O=C(Cn1cc([N+](=O)[O-])cn1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826424424 607731585 /nfs/dbraw/zinc/73/15/85/607731585.db2.gz LRLVTSYOPKVCFE-UHFFFAOYSA-N -1 3 329.280 0.115 20 50 ECGDHM O=C([O-])NCCC=NNC(=O)CCN1CCN(c2ccccc2)CC1 ZINC000832605367 605460662 /nfs/dbraw/zinc/46/06/62/605460662.db2.gz SXWWLSDXWQEUTK-UHFFFAOYSA-N -1 3 347.419 0.958 20 50 ECGDHM CS[C@H](C)CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826225587 607757606 /nfs/dbraw/zinc/75/76/06/607757606.db2.gz FNCPPDWUOZFUST-MRVPVSSYSA-N -1 3 335.393 0.562 20 50 ECGDHM CS[C@H](C)CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826225587 607757607 /nfs/dbraw/zinc/75/76/07/607757607.db2.gz FNCPPDWUOZFUST-MRVPVSSYSA-N -1 3 335.393 0.562 20 50 ECGDHM O=C([O-])NCC(=O)NNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000834200873 605506228 /nfs/dbraw/zinc/50/62/28/605506228.db2.gz BPDRZDFHWOBHFJ-CYBMUJFWSA-N -1 3 349.391 0.249 20 50 ECGDHM O=C(NNc1nc(=O)c2ccccc2[nH]1)c1ccc(-c2nn[n-]n2)cn1 ZINC000823285356 606913217 /nfs/dbraw/zinc/91/32/17/606913217.db2.gz QXSJUBXRNJGSPL-UHFFFAOYSA-N -1 3 349.314 0.667 20 50 ECGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H]1CC[C@H](O)CC1 ZINC000826445283 607793463 /nfs/dbraw/zinc/79/34/63/607793463.db2.gz NKLJKUAHDNOUOL-HAQNSBGRSA-N -1 3 345.363 0.114 20 50 ECGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H]1CC[C@H](O)CC1 ZINC000826445283 607793464 /nfs/dbraw/zinc/79/34/64/607793464.db2.gz NKLJKUAHDNOUOL-HAQNSBGRSA-N -1 3 345.363 0.114 20 50 ECGDHM C[C@H](C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCOCC1 ZINC000824039862 607889266 /nfs/dbraw/zinc/88/92/66/607889266.db2.gz ITMNABCTFYJFND-JTQLQIEISA-N -1 3 344.375 0.690 20 50 ECGDHM C[C@H](C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000824039862 607889267 /nfs/dbraw/zinc/88/92/67/607889267.db2.gz ITMNABCTFYJFND-JTQLQIEISA-N -1 3 344.375 0.690 20 50 ECGDHM C=C(C)[C@H](CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)OCC ZINC000823874625 607893745 /nfs/dbraw/zinc/89/37/45/607893745.db2.gz XJFFYLNWVRURIE-ZDUSSCGKSA-N -1 3 344.375 0.999 20 50 ECGDHM C=C(C)[C@H](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)OCC ZINC000823874625 607893746 /nfs/dbraw/zinc/89/37/46/607893746.db2.gz XJFFYLNWVRURIE-ZDUSSCGKSA-N -1 3 344.375 0.999 20 50 ECGDHM C[C@H]1CCC[C@H]1C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824925250 608133125 /nfs/dbraw/zinc/13/31/25/608133125.db2.gz CEHSNQBSQABFAU-GXFFZTMASA-N -1 3 344.375 0.829 20 50 ECGDHM C[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824892617 608759641 /nfs/dbraw/zinc/75/96/41/608759641.db2.gz KUVZYUOMQQYYSV-CABZTGNLSA-N -1 3 345.363 0.378 20 50 ECGDHM C[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824892617 608759644 /nfs/dbraw/zinc/75/96/44/608759644.db2.gz KUVZYUOMQQYYSV-CABZTGNLSA-N -1 3 345.363 0.378 20 50 ECGDHM NC(=O)c1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000826393205 608818146 /nfs/dbraw/zinc/81/81/46/608818146.db2.gz HSDPPELWQYOVSS-UHFFFAOYSA-N -1 3 339.319 0.509 20 50 ECGDHM NC(=O)c1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826393205 608818149 /nfs/dbraw/zinc/81/81/49/608818149.db2.gz HSDPPELWQYOVSS-UHFFFAOYSA-N -1 3 339.319 0.509 20 50 ECGDHM CC(=NNC(=O)CN1CCCC1=O)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948000 609156632 /nfs/dbraw/zinc/15/66/32/609156632.db2.gz BGUITFWYNBQAAM-UHFFFAOYSA-N -1 3 345.338 0.468 20 50 ECGDHM CC(=NNC(=O)CN1CCCC1=O)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948000 609156633 /nfs/dbraw/zinc/15/66/33/609156633.db2.gz BGUITFWYNBQAAM-UHFFFAOYSA-N -1 3 345.338 0.468 20 50 ECGDHM O=C(CSc1nncs1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826421310 607345849 /nfs/dbraw/zinc/34/58/49/607345849.db2.gz BHCMYUXMIMUPCY-UHFFFAOYSA-N -1 3 334.390 0.954 20 50 ECGDHM CCC(=O)N1CCC[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825035234 607351466 /nfs/dbraw/zinc/35/14/66/607351466.db2.gz YNAMFRIQEXBDSM-LBPRGKRZSA-N -1 3 343.391 0.958 20 50 ECGDHM COc1ccc(CNC(=O)NNC(=O)C(C)(C)C)cc1-c1nnn[n-]1 ZINC000826200604 607565064 /nfs/dbraw/zinc/56/50/64/607565064.db2.gz YKWXIHCCGZRIFV-UHFFFAOYSA-N -1 3 347.379 0.752 20 50 ECGDHM COc1ccc(CNC(=O)NNC(=O)C(C)(C)C)cc1-c1nn[n-]n1 ZINC000826200604 607565065 /nfs/dbraw/zinc/56/50/65/607565065.db2.gz YKWXIHCCGZRIFV-UHFFFAOYSA-N -1 3 347.379 0.752 20 50 ECGDHM Cc1c(CCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cnn1C ZINC000826236351 607995817 /nfs/dbraw/zinc/99/58/17/607995817.db2.gz IIEFMCIYRPZVIC-UHFFFAOYSA-N -1 3 326.364 0.985 20 50 ECGDHM Cc1c(CCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cnn1C ZINC000826236351 607995818 /nfs/dbraw/zinc/99/58/18/607995818.db2.gz IIEFMCIYRPZVIC-UHFFFAOYSA-N -1 3 326.364 0.985 20 50 ECGDHM CCCC[C@H](NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(=O)OC ZINC000825267990 608098466 /nfs/dbraw/zinc/09/84/66/608098466.db2.gz PNNVJFDUOFJYDJ-LBPRGKRZSA-N -1 3 332.364 0.833 20 50 ECGDHM CCCC[C@H](NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC000825267990 608098467 /nfs/dbraw/zinc/09/84/67/608098467.db2.gz PNNVJFDUOFJYDJ-LBPRGKRZSA-N -1 3 332.364 0.833 20 50 ECGDHM CC(CCCCO)=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000824400981 608317438 /nfs/dbraw/zinc/31/74/38/608317438.db2.gz NIHSTHUXYNESFF-UHFFFAOYSA-N -1 3 332.364 0.900 20 50 ECGDHM CC(CCCCO)=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000824400981 608317440 /nfs/dbraw/zinc/31/74/40/608317440.db2.gz NIHSTHUXYNESFF-UHFFFAOYSA-N -1 3 332.364 0.900 20 50 ECGDHM CC1(OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000824844008 607509336 /nfs/dbraw/zinc/50/93/36/607509336.db2.gz MHSJGKOQVJUOSV-UHFFFAOYSA-N -1 3 330.348 0.587 20 50 ECGDHM CC1(OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000824844008 607509338 /nfs/dbraw/zinc/50/93/38/607509338.db2.gz MHSJGKOQVJUOSV-UHFFFAOYSA-N -1 3 330.348 0.587 20 50 ECGDHM C[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)N1CCSCC1 ZINC000824041206 607570661 /nfs/dbraw/zinc/57/06/61/607570661.db2.gz ZHMJARMOZJLNTH-JTQLQIEISA-N -1 3 333.421 0.747 20 50 ECGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(-n2cncn2)nc1 ZINC000826448694 607713217 /nfs/dbraw/zinc/71/32/17/607713217.db2.gz HIJOTJOQUXQBIK-UHFFFAOYSA-N -1 3 348.330 0.599 20 50 ECGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(-n2cncn2)nc1 ZINC000826448694 607713219 /nfs/dbraw/zinc/71/32/19/607713219.db2.gz HIJOTJOQUXQBIK-UHFFFAOYSA-N -1 3 348.330 0.599 20 50 ECGDHM Cc1nn(C)c(C)c1OCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826333900 607716073 /nfs/dbraw/zinc/71/60/73/607716073.db2.gz YYGPUGTZJITXAX-UHFFFAOYSA-N -1 3 342.363 0.739 20 50 ECGDHM Cc1nn(C)c(C)c1OCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826333900 607716075 /nfs/dbraw/zinc/71/60/75/607716075.db2.gz YYGPUGTZJITXAX-UHFFFAOYSA-N -1 3 342.363 0.739 20 50 ECGDHM O=Cc1cc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000823551383 606660114 /nfs/dbraw/zinc/66/01/14/606660114.db2.gz OLINAIWSVQIWFE-UHFFFAOYSA-N -1 3 342.340 0.816 20 50 ECGDHM O=Cc1cc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000823551383 606660115 /nfs/dbraw/zinc/66/01/15/606660115.db2.gz OLINAIWSVQIWFE-UHFFFAOYSA-N -1 3 342.340 0.816 20 50 ECGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H]1CC[C@H](O)CC1 ZINC000826445318 607793407 /nfs/dbraw/zinc/79/34/07/607793407.db2.gz PEEMWEHMZYQVAC-HAQNSBGRSA-N -1 3 345.363 0.114 20 50 ECGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1CC[C@H](O)CC1 ZINC000826445318 607793408 /nfs/dbraw/zinc/79/34/08/607793408.db2.gz PEEMWEHMZYQVAC-HAQNSBGRSA-N -1 3 345.363 0.114 20 50 ECGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=CC1CCOCC1 ZINC000826419299 607883191 /nfs/dbraw/zinc/88/31/91/607883191.db2.gz RMMJSFXOVIILMZ-UHFFFAOYSA-N -1 3 330.348 0.774 20 50 ECGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=CC1CCOCC1 ZINC000826419299 607883192 /nfs/dbraw/zinc/88/31/92/607883192.db2.gz RMMJSFXOVIILMZ-UHFFFAOYSA-N -1 3 330.348 0.774 20 50 ECGDHM O=C(CNC(=O)c1ccco1)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826412619 607888218 /nfs/dbraw/zinc/88/82/18/607888218.db2.gz VUKRANRSZKALGT-UHFFFAOYSA-N -1 3 339.315 0.340 20 50 ECGDHM O=C(CNC(=O)c1ccco1)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826412619 607888219 /nfs/dbraw/zinc/88/82/19/607888219.db2.gz VUKRANRSZKALGT-UHFFFAOYSA-N -1 3 339.315 0.340 20 50 ECGDHM C[C@@](O)(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000824671084 607889139 /nfs/dbraw/zinc/88/91/39/607889139.db2.gz WREZHVJTZQQQFT-OAHLLOKOSA-N -1 3 330.348 0.179 20 50 ECGDHM C[C@@](O)(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000824671084 607889140 /nfs/dbraw/zinc/88/91/40/607889140.db2.gz WREZHVJTZQQQFT-OAHLLOKOSA-N -1 3 330.348 0.179 20 50 ECGDHM CCNC(=O)N(C)NC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000825470912 609165767 /nfs/dbraw/zinc/16/57/67/609165767.db2.gz JFIOGLLSZXUXNW-VIFPVBQESA-N -1 3 333.352 0.327 20 50 ECGDHM CCNC(=O)N(C)NC(=O)[C@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000825470912 609165769 /nfs/dbraw/zinc/16/57/69/609165769.db2.gz JFIOGLLSZXUXNW-VIFPVBQESA-N -1 3 333.352 0.327 20 50 ECGDHM O=C(NNc1c(F)c(F)nc(F)c1F)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826445310 609409494 /nfs/dbraw/zinc/40/94/94/609409494.db2.gz OUCZLGACTIHHHZ-UHFFFAOYSA-N -1 3 342.216 0.903 20 50 ECGDHM O=C(NNc1c(F)c(F)nc(F)c1F)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826445310 609409495 /nfs/dbraw/zinc/40/94/95/609409495.db2.gz OUCZLGACTIHHHZ-UHFFFAOYSA-N -1 3 342.216 0.903 20 50 ECGDHM Cc1sc(=O)n(CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826349416 607345845 /nfs/dbraw/zinc/34/58/45/607345845.db2.gz HIRSLTINUMGOPT-UHFFFAOYSA-N -1 3 345.388 0.850 20 50 ECGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNc1nccn(C)c1=O ZINC000826249453 607463145 /nfs/dbraw/zinc/46/31/45/607463145.db2.gz DHIZBYRLHIIUBQ-UHFFFAOYSA-N -1 3 326.320 0.026 20 50 ECGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNc1nccn(C)c1=O ZINC000826249453 607463146 /nfs/dbraw/zinc/46/31/46/607463146.db2.gz DHIZBYRLHIIUBQ-UHFFFAOYSA-N -1 3 326.320 0.026 20 50 ECGDHM CC1(C)C[C@H]1C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824795851 607682344 /nfs/dbraw/zinc/68/23/44/607682344.db2.gz GXDLKTLKIXJAEJ-NSHDSACASA-N -1 3 330.348 0.439 20 50 ECGDHM CC(C)[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)N1CCCC1=O ZINC000824184286 607732437 /nfs/dbraw/zinc/73/24/37/607732437.db2.gz FEWBFECHYPGQTF-CQSZACIVSA-N -1 3 343.391 0.957 20 50 ECGDHM CC(C)[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)N1CCCC1=O ZINC000824184286 607732439 /nfs/dbraw/zinc/73/24/39/607732439.db2.gz FEWBFECHYPGQTF-CQSZACIVSA-N -1 3 343.391 0.957 20 50 ECGDHM CCOC(=O)NCCCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825523198 607756115 /nfs/dbraw/zinc/75/61/15/607756115.db2.gz NZCFCFVKQJWICT-UHFFFAOYSA-N -1 3 333.352 0.836 20 50 ECGDHM CCOC(=O)NCCCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825523198 607756116 /nfs/dbraw/zinc/75/61/16/607756116.db2.gz NZCFCFVKQJWICT-UHFFFAOYSA-N -1 3 333.352 0.836 20 50 ECGDHM Cc1nn(C)cc1C=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826334500 607882842 /nfs/dbraw/zinc/88/28/42/607882842.db2.gz XLGDZWCAXMJXJY-UHFFFAOYSA-N -1 3 340.347 0.438 20 50 ECGDHM Cc1nn(C)cc1C=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826334500 607882843 /nfs/dbraw/zinc/88/28/43/607882843.db2.gz XLGDZWCAXMJXJY-UHFFFAOYSA-N -1 3 340.347 0.438 20 50 ECGDHM C=C(C)[C@@H](CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)OCC ZINC000823874617 607893541 /nfs/dbraw/zinc/89/35/41/607893541.db2.gz XJFFYLNWVRURIE-CYBMUJFWSA-N -1 3 344.375 0.999 20 50 ECGDHM C=C(C)[C@@H](CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)OCC ZINC000823874617 607893542 /nfs/dbraw/zinc/89/35/42/607893542.db2.gz XJFFYLNWVRURIE-CYBMUJFWSA-N -1 3 344.375 0.999 20 50 ECGDHM CCc1nccn1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825755383 607932843 /nfs/dbraw/zinc/93/28/43/607932843.db2.gz WRSIVUNXEPTNDU-UHFFFAOYSA-N -1 3 340.347 0.087 20 50 ECGDHM C=C(C)CN(C)CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823877746 609371222 /nfs/dbraw/zinc/37/12/22/609371222.db2.gz FDHQMSGRSBKWGX-UHFFFAOYSA-N -1 3 329.364 0.136 20 50 ECGDHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NNc1cc(Cl)ccn1 ZINC000826414316 609399566 /nfs/dbraw/zinc/39/95/66/609399566.db2.gz PJHFZZXAZLSRIZ-UHFFFAOYSA-N -1 3 345.754 0.865 20 50 ECGDHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NNc1cc(Cl)ccn1 ZINC000826414316 609399568 /nfs/dbraw/zinc/39/95/68/609399568.db2.gz PJHFZZXAZLSRIZ-UHFFFAOYSA-N -1 3 345.754 0.865 20 50 ECGDHM O=C(CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)NCC(F)(F)F ZINC000826403920 609501661 /nfs/dbraw/zinc/50/16/61/609501661.db2.gz IHUSHVWNDUGQBQ-UHFFFAOYSA-N -1 3 343.269 0.378 20 50 ECGDHM N#CC(C#N)=CN[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826379569 609505469 /nfs/dbraw/zinc/50/54/69/609505469.db2.gz VWQAKYAGVWQNQW-CQSZACIVSA-N -1 3 334.343 0.883 20 50 ECGDHM N#CC(C#N)=CN[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826379569 609505471 /nfs/dbraw/zinc/50/54/71/609505471.db2.gz VWQAKYAGVWQNQW-CQSZACIVSA-N -1 3 334.343 0.883 20 50 ECGDHM C[C@@H](OC[C@H]1CCCO1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824731841 607345547 /nfs/dbraw/zinc/34/55/47/607345547.db2.gz ZDBIKXPQDHFBEA-ZWNOBZJWSA-N -1 3 332.364 0.894 20 50 ECGDHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824469859 607352362 /nfs/dbraw/zinc/35/23/62/607352362.db2.gz DFDGGCIGELEFRI-SECBINFHSA-N -1 3 331.380 0.861 20 50 ECGDHM O=C(CNC(=O)c1ccsc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826412311 607465327 /nfs/dbraw/zinc/46/53/27/607465327.db2.gz JTBDYDWLROMGLQ-UHFFFAOYSA-N -1 3 343.372 0.801 20 50 ECGDHM Cc1cccc(OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000826300056 607682010 /nfs/dbraw/zinc/68/20/10/607682010.db2.gz GQOSZJYZLRRKMC-UHFFFAOYSA-N -1 3 341.331 0.343 20 50 ECGDHM Cc1cccc(OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000826300056 607682011 /nfs/dbraw/zinc/68/20/11/607682011.db2.gz GQOSZJYZLRRKMC-UHFFFAOYSA-N -1 3 341.331 0.343 20 50 ECGDHM O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826422965 607683675 /nfs/dbraw/zinc/68/36/75/607683675.db2.gz SSAWFYCNQDNTIV-UHFFFAOYSA-N -1 3 329.295 0.338 20 50 ECGDHM O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826422965 607683677 /nfs/dbraw/zinc/68/36/77/607683677.db2.gz SSAWFYCNQDNTIV-UHFFFAOYSA-N -1 3 329.295 0.338 20 50 ECGDHM Cc1cc(O)cc(=O)n1CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826271877 607718930 /nfs/dbraw/zinc/71/89/30/607718930.db2.gz LGFXAMBTRKIMGC-UHFFFAOYSA-N -1 3 341.331 0.186 20 50 ECGDHM Cc1cc(O)cc(=O)n1CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826271877 607718932 /nfs/dbraw/zinc/71/89/32/607718932.db2.gz LGFXAMBTRKIMGC-UHFFFAOYSA-N -1 3 341.331 0.186 20 50 ECGDHM C[C@H](OC[C@H]1CCCO1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824728745 607720879 /nfs/dbraw/zinc/72/08/79/607720879.db2.gz HANWLASCMFYQJX-GXFFZTMASA-N -1 3 332.364 0.894 20 50 ECGDHM C[C@H](OC[C@H]1CCCO1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824728745 607720881 /nfs/dbraw/zinc/72/08/81/607720881.db2.gz HANWLASCMFYQJX-GXFFZTMASA-N -1 3 332.364 0.894 20 50 ECGDHM COc1ncnc(OC)c1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826222248 607726149 /nfs/dbraw/zinc/72/61/49/607726149.db2.gz PKHUCWTVCBLVGO-UHFFFAOYSA-N -1 3 342.319 0.431 20 50 ECGDHM COc1ncnc(OC)c1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826222248 607726151 /nfs/dbraw/zinc/72/61/51/607726151.db2.gz PKHUCWTVCBLVGO-UHFFFAOYSA-N -1 3 342.319 0.431 20 50 ECGDHM O=C(NN=c1nc[nH]c2ccsc21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826450146 607754721 /nfs/dbraw/zinc/75/47/21/607754721.db2.gz YMNGZYMUEUVPJZ-UHFFFAOYSA-N -1 3 327.333 0.956 20 50 ECGDHM O=C(NN=c1nc[nH]c2ccsc21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826450146 607754722 /nfs/dbraw/zinc/75/47/22/607754722.db2.gz YMNGZYMUEUVPJZ-UHFFFAOYSA-N -1 3 327.333 0.956 20 50 ECGDHM C[C@@H](C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCOCC1 ZINC000824039863 607889279 /nfs/dbraw/zinc/88/92/79/607889279.db2.gz ITMNABCTFYJFND-SNVBAGLBSA-N -1 3 344.375 0.690 20 50 ECGDHM C[C@@H](C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000824039863 607889280 /nfs/dbraw/zinc/88/92/80/607889280.db2.gz ITMNABCTFYJFND-SNVBAGLBSA-N -1 3 344.375 0.690 20 50 ECGDHM CCn1cc(C(=O)C(=O)NNc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000825799495 607995518 /nfs/dbraw/zinc/99/55/18/607995518.db2.gz MTMAZVHPNFSPNP-UHFFFAOYSA-N -1 3 326.320 0.409 20 50 ECGDHM CCn1cc(C(=O)C(=O)NNc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000825799495 607995519 /nfs/dbraw/zinc/99/55/19/607995519.db2.gz MTMAZVHPNFSPNP-UHFFFAOYSA-N -1 3 326.320 0.409 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@H]2C)cc(-c2nnn[n-]2)n1C ZINC000826235374 608206729 /nfs/dbraw/zinc/20/67/29/608206729.db2.gz IOVSJSARDSZIIZ-QNGXTNRKSA-N -1 3 341.375 0.714 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@H]2C)cc(-c2nn[n-]n2)n1C ZINC000826235374 608206730 /nfs/dbraw/zinc/20/67/30/608206730.db2.gz IOVSJSARDSZIIZ-QNGXTNRKSA-N -1 3 341.375 0.714 20 50 ECGDHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NNC(=O)c1ccccc1 ZINC000826414426 608215087 /nfs/dbraw/zinc/21/50/87/608215087.db2.gz VOCXWHVNJHEKBK-UHFFFAOYSA-N -1 3 338.331 0.135 20 50 ECGDHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NNC(=O)c1ccccc1 ZINC000826414426 608215089 /nfs/dbraw/zinc/21/50/89/608215089.db2.gz VOCXWHVNJHEKBK-UHFFFAOYSA-N -1 3 338.331 0.135 20 50 ECGDHM C[C@@H]1CC(=NNC(=O)COc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824857506 608289677 /nfs/dbraw/zinc/28/96/77/608289677.db2.gz CXWUBQPVQDXFQR-SNVBAGLBSA-N -1 3 330.348 0.917 20 50 ECGDHM C[C@@H]1CC(=NNC(=O)COc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824857506 608289679 /nfs/dbraw/zinc/28/96/79/608289679.db2.gz CXWUBQPVQDXFQR-SNVBAGLBSA-N -1 3 330.348 0.917 20 50 ECGDHM CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000824071035 608550160 /nfs/dbraw/zinc/55/01/60/608550160.db2.gz FOZPHIFHTVQGDB-UHFFFAOYSA-N -1 3 349.326 0.138 20 50 ECGDHM CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000824071035 608550163 /nfs/dbraw/zinc/55/01/63/608550163.db2.gz FOZPHIFHTVQGDB-UHFFFAOYSA-N -1 3 349.326 0.138 20 50 ECGDHM CCNC(=O)N(C)NC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000825470911 609165656 /nfs/dbraw/zinc/16/56/56/609165656.db2.gz JFIOGLLSZXUXNW-SECBINFHSA-N -1 3 333.352 0.327 20 50 ECGDHM CCNC(=O)N(C)NC(=O)[C@@H](C)Oc1ccccc1-c1nn[n-]n1 ZINC000825470911 609165658 /nfs/dbraw/zinc/16/56/58/609165658.db2.gz JFIOGLLSZXUXNW-SECBINFHSA-N -1 3 333.352 0.327 20 50 ECGDHM O=C(NNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826444879 609182193 /nfs/dbraw/zinc/18/21/93/609182193.db2.gz YDORLDYVCPYCDW-CYBMUJFWSA-N -1 3 338.327 0.361 20 50 ECGDHM O=C(NNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826444879 609182195 /nfs/dbraw/zinc/18/21/95/609182195.db2.gz YDORLDYVCPYCDW-CYBMUJFWSA-N -1 3 338.327 0.361 20 50 ECGDHM O=C(NNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000826444880 609182341 /nfs/dbraw/zinc/18/23/41/609182341.db2.gz YDORLDYVCPYCDW-ZDUSSCGKSA-N -1 3 338.327 0.361 20 50 ECGDHM O=C(NNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000826444880 609182343 /nfs/dbraw/zinc/18/23/43/609182343.db2.gz YDORLDYVCPYCDW-ZDUSSCGKSA-N -1 3 338.327 0.361 20 50 ECGDHM O=C(CCCN1C(=O)CCC1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406403 607340905 /nfs/dbraw/zinc/34/09/05/607340905.db2.gz VMNVOHQWINUQJA-UHFFFAOYSA-N -1 3 343.347 0.239 20 50 ECGDHM Cc1ccn2ncc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)c2n1 ZINC000826308949 607343288 /nfs/dbraw/zinc/34/32/88/607343288.db2.gz XQYOSRLIFYWWGL-UHFFFAOYSA-N -1 3 335.331 0.975 20 50 ECGDHM C[C@@H]1CCCC[C@]1(CNC(=O)[O-])NCC(=O)NNC(=O)C(C)(C)C ZINC000825897756 603560809 /nfs/dbraw/zinc/56/08/09/603560809.db2.gz ZBYUMORQXITHNL-BDJLRTHQSA-N -1 3 342.440 0.986 20 50 ECGDHM Cn1cc([N+](=O)[O-])cc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826363049 607717833 /nfs/dbraw/zinc/71/78/33/607717833.db2.gz UTJYOQJDQVVJJZ-UHFFFAOYSA-N -1 3 328.292 0.870 20 50 ECGDHM Cn1cc([N+](=O)[O-])cc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826363049 607717835 /nfs/dbraw/zinc/71/78/35/607717835.db2.gz UTJYOQJDQVVJJZ-UHFFFAOYSA-N -1 3 328.292 0.870 20 50 ECGDHM Cn1ncc2cc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)cnc21 ZINC000826366291 607721418 /nfs/dbraw/zinc/72/14/18/607721418.db2.gz AWKSGPJPVAFUCJ-UHFFFAOYSA-N -1 3 335.331 0.905 20 50 ECGDHM Cn1ncc2cc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cnc21 ZINC000826366291 607721420 /nfs/dbraw/zinc/72/14/20/607721420.db2.gz AWKSGPJPVAFUCJ-UHFFFAOYSA-N -1 3 335.331 0.905 20 50 ECGDHM O=C([O-])NCC(=O)NNC(=O)NCCCN1CCc2ccccc2C1 ZINC000834204549 605504297 /nfs/dbraw/zinc/50/42/97/605504297.db2.gz GPUSXQOZTNEZHB-UHFFFAOYSA-N -1 3 349.391 0.033 20 50 ECGDHM C[C@@H](CO)CCCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824433181 607995594 /nfs/dbraw/zinc/99/55/94/607995594.db2.gz CWBNTVPLHGGRTI-SNVBAGLBSA-N -1 3 347.379 0.219 20 50 ECGDHM C[C@@H](CO)CCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824433181 607995595 /nfs/dbraw/zinc/99/55/95/607995595.db2.gz CWBNTVPLHGGRTI-SNVBAGLBSA-N -1 3 347.379 0.219 20 50 ECGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc2n[nH]c(=O)n2c1 ZINC000826447184 608108103 /nfs/dbraw/zinc/10/81/03/608108103.db2.gz RSVZMZIJZJYVGK-UHFFFAOYSA-N -1 3 337.303 0.372 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CO)C2CC2)cc(-c2nnn[n-]2)n1C ZINC000826235315 608174301 /nfs/dbraw/zinc/17/43/01/608174301.db2.gz HIOYTMOSECPDTN-XLVZXTRVSA-N -1 3 341.375 0.308 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CO)C2CC2)cc(-c2nn[n-]n2)n1C ZINC000826235315 608174302 /nfs/dbraw/zinc/17/43/02/608174302.db2.gz HIOYTMOSECPDTN-XLVZXTRVSA-N -1 3 341.375 0.308 20 50 ECGDHM CC(=O)C[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000823966847 608382016 /nfs/dbraw/zinc/38/20/16/608382016.db2.gz CBJKHDWIFJEDMR-JHFYRWCBSA-N -1 3 341.375 0.904 20 50 ECGDHM CC(=O)C[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000823966847 608382018 /nfs/dbraw/zinc/38/20/18/608382018.db2.gz CBJKHDWIFJEDMR-JHFYRWCBSA-N -1 3 341.375 0.904 20 50 ECGDHM N#Cc1cc(Cl)nc(NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000826384131 608579946 /nfs/dbraw/zinc/57/99/46/608579946.db2.gz HZMGXMDMIHLNNR-UHFFFAOYSA-N -1 3 329.711 0.872 20 50 ECGDHM N#Cc1cc(Cl)nc(NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000826384131 608579947 /nfs/dbraw/zinc/57/99/47/608579947.db2.gz HZMGXMDMIHLNNR-UHFFFAOYSA-N -1 3 329.711 0.872 20 50 ECGDHM CC(=NNC(=O)C(=O)NC1CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823943088 609158409 /nfs/dbraw/zinc/15/84/09/609158409.db2.gz MTJJBTBBNMSXDR-UHFFFAOYSA-N -1 3 331.311 0.125 20 50 ECGDHM CC(=NNC(=O)C(=O)NC1CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823943088 609158411 /nfs/dbraw/zinc/15/84/11/609158411.db2.gz MTJJBTBBNMSXDR-UHFFFAOYSA-N -1 3 331.311 0.125 20 50 ECGDHM O=C(CNc1ccc(-c2nnn[n-]2)cn1)NNc1ccnc(F)c1 ZINC000826414023 609301460 /nfs/dbraw/zinc/30/14/60/609301460.db2.gz AKMIMKBBUVLOOL-UHFFFAOYSA-N -1 3 329.299 0.351 20 50 ECGDHM O=C(CNc1ccc(-c2nn[n-]n2)cn1)NNc1ccnc(F)c1 ZINC000826414023 609301463 /nfs/dbraw/zinc/30/14/63/609301463.db2.gz AKMIMKBBUVLOOL-UHFFFAOYSA-N -1 3 329.299 0.351 20 50 ECGDHM O=C(NNC(=O)c1cccc2cccnc21)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826444956 609451458 /nfs/dbraw/zinc/45/14/58/609451458.db2.gz AMQXAYMFDNUZNR-UHFFFAOYSA-N -1 3 348.326 0.818 20 50 ECGDHM O=C(NNC(=O)c1cccc2cccnc21)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826444956 609451460 /nfs/dbraw/zinc/45/14/60/609451460.db2.gz AMQXAYMFDNUZNR-UHFFFAOYSA-N -1 3 348.326 0.818 20 50 ECGDHM N#CC(C#N)=CN[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000826379568 609505615 /nfs/dbraw/zinc/50/56/15/609505615.db2.gz VWQAKYAGVWQNQW-AWEZNQCLSA-N -1 3 334.343 0.883 20 50 ECGDHM N#CC(C#N)=CN[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826379568 609505616 /nfs/dbraw/zinc/50/56/16/609505616.db2.gz VWQAKYAGVWQNQW-AWEZNQCLSA-N -1 3 334.343 0.883 20 50 ECGDHM CC[C@H]1C[C@@H](C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825184709 609544933 /nfs/dbraw/zinc/54/49/33/609544933.db2.gz YLHVVMWXCOEWAA-STQMWFEESA-N -1 3 344.375 0.833 20 50 ECGDHM CC[C@H]1C[C@@H](C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825184709 609544934 /nfs/dbraw/zinc/54/49/34/609544934.db2.gz YLHVVMWXCOEWAA-STQMWFEESA-N -1 3 344.375 0.833 20 50 ECGDHM O=C(CN1CCn2cnnc2C1)N[N-]C(=O)c1ccccc1Cl ZINC000105878506 589143593 /nfs/dbraw/zinc/14/35/93/589143593.db2.gz YHQQRSCZFZYUJC-UHFFFAOYSA-N -1 3 334.767 0.208 20 50 ECGDHM O=C(Cn1ccc([N+](=O)[O-])n1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826424455 607354243 /nfs/dbraw/zinc/35/42/43/607354243.db2.gz MWIFDBOSTLNGBB-UHFFFAOYSA-N -1 3 329.280 0.115 20 50 ECGDHM O=C(NNC(=S)NC[C@@H]1CCOC1)c1cccc(-c2nnn[n-]2)c1 ZINC000826445195 607533282 /nfs/dbraw/zinc/53/32/82/607533282.db2.gz KIIBSBUWPMYYCS-VIFPVBQESA-N -1 3 347.404 0.012 20 50 ECGDHM O=C(NNC(=S)NC[C@@H]1CCOC1)c1cccc(-c2nn[n-]n2)c1 ZINC000826445195 607533283 /nfs/dbraw/zinc/53/32/83/607533283.db2.gz KIIBSBUWPMYYCS-VIFPVBQESA-N -1 3 347.404 0.012 20 50 ECGDHM CC(=O)N1CC[C@](C)(C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000823975367 607723581 /nfs/dbraw/zinc/72/35/81/607723581.db2.gz XPLJGQRBKWUDEI-HNNXBMFYSA-N -1 3 329.364 0.568 20 50 ECGDHM CC(=O)N1CC[C@](C)(C(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000823975367 607723583 /nfs/dbraw/zinc/72/35/83/607723583.db2.gz XPLJGQRBKWUDEI-HNNXBMFYSA-N -1 3 329.364 0.568 20 50 ECGDHM O=C(CNC(=O)c1cccnc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826412308 607724901 /nfs/dbraw/zinc/72/49/01/607724901.db2.gz JQVFPDXYXDXUIK-UHFFFAOYSA-N -1 3 338.331 0.135 20 50 ECGDHM O=C(CNC(=O)c1cccnc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826412308 607724903 /nfs/dbraw/zinc/72/49/03/607724903.db2.gz JQVFPDXYXDXUIK-UHFFFAOYSA-N -1 3 338.331 0.135 20 50 ECGDHM COc1ccc(NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c([N+](=O)[O-])c1 ZINC000826210134 607754611 /nfs/dbraw/zinc/75/46/11/607754611.db2.gz FXWJPLVCFUTSOE-UHFFFAOYSA-N -1 3 344.291 0.869 20 50 ECGDHM COc1ccc(NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c([N+](=O)[O-])c1 ZINC000826210134 607754612 /nfs/dbraw/zinc/75/46/12/607754612.db2.gz FXWJPLVCFUTSOE-UHFFFAOYSA-N -1 3 344.291 0.869 20 50 ECGDHM O=C(NNC(=S)Nc1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823281538 607178747 /nfs/dbraw/zinc/17/87/47/607178747.db2.gz UNIZHQKPBIRJCJ-UHFFFAOYSA-N -1 3 340.372 0.893 20 50 ECGDHM O=C(NNC(=S)Nc1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823281538 607178748 /nfs/dbraw/zinc/17/87/48/607178748.db2.gz UNIZHQKPBIRJCJ-UHFFFAOYSA-N -1 3 340.372 0.893 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000826235575 607774605 /nfs/dbraw/zinc/77/46/05/607774605.db2.gz MFRFNPHGBXOWRT-JXDHDYMSSA-N -1 3 327.348 0.326 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000826235575 607774606 /nfs/dbraw/zinc/77/46/06/607774606.db2.gz MFRFNPHGBXOWRT-JXDHDYMSSA-N -1 3 327.348 0.326 20 50 ECGDHM C[C@H]1CCCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824936313 608319796 /nfs/dbraw/zinc/31/97/96/608319796.db2.gz FZPQHNIGJRYLAY-JTQLQIEISA-N -1 3 329.364 0.953 20 50 ECGDHM C[C@H]1CCCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824936313 608319798 /nfs/dbraw/zinc/31/97/98/608319798.db2.gz FZPQHNIGJRYLAY-JTQLQIEISA-N -1 3 329.364 0.953 20 50 ECGDHM Cn1cccc(C(=O)NNc2cc(-c3nn[n-]n3)cc(Cl)n2)c1=O ZINC000826363695 608576533 /nfs/dbraw/zinc/57/65/33/608576533.db2.gz YDFXPMFCYUXWGK-UHFFFAOYSA-N -1 3 346.738 0.371 20 50 ECGDHM C[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824892616 608759780 /nfs/dbraw/zinc/75/97/80/608759780.db2.gz KUVZYUOMQQYYSV-BXKDBHETSA-N -1 3 345.363 0.378 20 50 ECGDHM C[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824892616 608759783 /nfs/dbraw/zinc/75/97/83/608759783.db2.gz KUVZYUOMQQYYSV-BXKDBHETSA-N -1 3 345.363 0.378 20 50 ECGDHM CN(c1cccc(-c2nnn[n-]2)c1)S(=O)(=O)CBr ZINC000826004100 608781640 /nfs/dbraw/zinc/78/16/40/608781640.db2.gz IKRXVIVTMSZQAA-UHFFFAOYSA-N -1 3 332.183 0.985 20 50 ECGDHM CN(c1cccc(-c2nn[n-]n2)c1)S(=O)(=O)CBr ZINC000826004100 608781643 /nfs/dbraw/zinc/78/16/43/608781643.db2.gz IKRXVIVTMSZQAA-UHFFFAOYSA-N -1 3 332.183 0.985 20 50 ECGDHM CC(=NNC(=O)N1CCOCC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948717 609159186 /nfs/dbraw/zinc/15/91/86/609159186.db2.gz VAOMLVZLEOMQMG-UHFFFAOYSA-N -1 3 333.327 0.772 20 50 ECGDHM CC(=NNC(=O)N1CCOCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948717 609159187 /nfs/dbraw/zinc/15/91/87/609159187.db2.gz VAOMLVZLEOMQMG-UHFFFAOYSA-N -1 3 333.327 0.772 20 50 ECGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNc1ccccn1 ZINC000826411772 609267952 /nfs/dbraw/zinc/26/79/52/609267952.db2.gz MSXCIZKYZOGPOB-UHFFFAOYSA-N -1 3 338.331 0.135 20 50 ECGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNc1ccccn1 ZINC000826411772 609267954 /nfs/dbraw/zinc/26/79/54/609267954.db2.gz MSXCIZKYZOGPOB-UHFFFAOYSA-N -1 3 338.331 0.135 20 50 ECGDHM O=C(Cc1ccc(Cl)cc1)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826422812 609411173 /nfs/dbraw/zinc/41/11/73/609411173.db2.gz NADCLQWWQDRLJZ-UHFFFAOYSA-N -1 3 345.750 0.852 20 50 ECGDHM O=C(Cc1ccc(Cl)cc1)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826422812 609411175 /nfs/dbraw/zinc/41/11/75/609411175.db2.gz NADCLQWWQDRLJZ-UHFFFAOYSA-N -1 3 345.750 0.852 20 50 ECGDHM CC[C@H]1C[C@H](C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825184707 609545237 /nfs/dbraw/zinc/54/52/37/609545237.db2.gz YLHVVMWXCOEWAA-OLZOCXBDSA-N -1 3 344.375 0.833 20 50 ECGDHM CC[C@H]1C[C@H](C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825184707 609545239 /nfs/dbraw/zinc/54/52/39/609545239.db2.gz YLHVVMWXCOEWAA-OLZOCXBDSA-N -1 3 344.375 0.833 20 50 ECGDHM Cc1nn(C)c(C)c1C(=O)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826332938 607347258 /nfs/dbraw/zinc/34/72/58/607347258.db2.gz NPDDQUUQRKTZDO-UHFFFAOYSA-N -1 3 340.347 0.543 20 50 ECGDHM CC1=C(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C(=O)OC1(C)C ZINC000824851570 607351495 /nfs/dbraw/zinc/35/14/95/607351495.db2.gz AOJKUEGYOMWMSY-UHFFFAOYSA-N -1 3 328.332 0.962 20 50 ECGDHM CCn1nc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)ccc1=O ZINC000825806773 607353676 /nfs/dbraw/zinc/35/36/76/607353676.db2.gz DCSYVPOOJLFSKN-UHFFFAOYSA-N -1 3 326.320 0.200 20 50 ECGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)NCc1ccco1 ZINC000826249836 607672118 /nfs/dbraw/zinc/67/21/18/607672118.db2.gz XJKFKFGTXCXZOY-UHFFFAOYSA-N -1 3 341.331 0.912 20 50 ECGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)NCc1ccco1 ZINC000826249836 607672119 /nfs/dbraw/zinc/67/21/19/607672119.db2.gz XJKFKFGTXCXZOY-UHFFFAOYSA-N -1 3 341.331 0.912 20 50 ECGDHM CC(C)C(=O)N1CCC[C@H]1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824178577 607714952 /nfs/dbraw/zinc/71/49/52/607714952.db2.gz YLPPDUWQLZTFLT-ZDUSSCGKSA-N -1 3 343.391 0.957 20 50 ECGDHM CC(C)C(=O)N1CCC[C@H]1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824178577 607714953 /nfs/dbraw/zinc/71/49/53/607714953.db2.gz YLPPDUWQLZTFLT-ZDUSSCGKSA-N -1 3 343.391 0.957 20 50 ECGDHM O=C(CNC(=O)c1cccs1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826412365 607719272 /nfs/dbraw/zinc/71/92/72/607719272.db2.gz LMAUOPDKBRXHNT-UHFFFAOYSA-N -1 3 343.372 0.801 20 50 ECGDHM O=C(CNC(=O)c1cccs1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826412365 607719274 /nfs/dbraw/zinc/71/92/74/607719274.db2.gz LMAUOPDKBRXHNT-UHFFFAOYSA-N -1 3 343.372 0.801 20 50 ECGDHM O=C(CCOC1CCOCC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826408283 607724654 /nfs/dbraw/zinc/72/46/54/607724654.db2.gz ZAPFOODQNLAOHI-UHFFFAOYSA-N -1 3 332.364 0.896 20 50 ECGDHM O=C(CCOC1CCOCC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826408283 607724655 /nfs/dbraw/zinc/72/46/55/607724655.db2.gz ZAPFOODQNLAOHI-UHFFFAOYSA-N -1 3 332.364 0.896 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H](CO)C2)cc(-c2nnn[n-]2)n1C ZINC000826235913 607996198 /nfs/dbraw/zinc/99/61/98/607996198.db2.gz UOGFWQNAGLSYTM-CBJCJLNRSA-N -1 3 341.375 0.261 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H](CO)C2)cc(-c2nn[n-]n2)n1C ZINC000826235913 607996199 /nfs/dbraw/zinc/99/61/99/607996199.db2.gz UOGFWQNAGLSYTM-CBJCJLNRSA-N -1 3 341.375 0.261 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)NNc2ccccn2)cc(-c2nnn[n-]2)n1C ZINC000826236005 609262467 /nfs/dbraw/zinc/26/24/67/609262467.db2.gz WLLLHMUROAPDFH-KPKJPENVSA-N -1 3 349.358 0.959 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)NNc2ccccn2)cc(-c2nn[n-]n2)n1C ZINC000826236005 609262468 /nfs/dbraw/zinc/26/24/68/609262468.db2.gz WLLLHMUROAPDFH-KPKJPENVSA-N -1 3 349.358 0.959 20 50 ECGDHM CC(=NNC(=O)C(=O)NC1CC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823942758 609274990 /nfs/dbraw/zinc/27/49/90/609274990.db2.gz IVWRYYIZBRMCHU-UHFFFAOYSA-N -1 3 331.311 0.125 20 50 ECGDHM CC(=NNC(=O)C(=O)NC1CC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823942758 609274991 /nfs/dbraw/zinc/27/49/91/609274991.db2.gz IVWRYYIZBRMCHU-UHFFFAOYSA-N -1 3 331.311 0.125 20 50 ECGDHM Cc1nn2cccnc2c1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826334896 607336034 /nfs/dbraw/zinc/33/60/34/607336034.db2.gz OBNUIAKBPVZKKQ-UHFFFAOYSA-N -1 3 335.331 0.975 20 50 ECGDHM Cc1nn2cccnc2c1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826334896 607336036 /nfs/dbraw/zinc/33/60/36/607336036.db2.gz OBNUIAKBPVZKKQ-UHFFFAOYSA-N -1 3 335.331 0.975 20 50 ECGDHM CC(C)CC(=O)NCCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824228072 607353343 /nfs/dbraw/zinc/35/33/43/607353343.db2.gz DRENJPLZYNYTOX-UHFFFAOYSA-N -1 3 331.380 0.862 20 50 ECGDHM COCCCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826156799 607671113 /nfs/dbraw/zinc/67/11/13/607671113.db2.gz UHQHQCDJROCAGP-UHFFFAOYSA-N -1 3 333.352 0.156 20 50 ECGDHM COCCCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826156799 607671114 /nfs/dbraw/zinc/67/11/14/607671114.db2.gz UHQHQCDJROCAGP-UHFFFAOYSA-N -1 3 333.352 0.156 20 50 ECGDHM Cn1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000826355112 607716031 /nfs/dbraw/zinc/71/60/31/607716031.db2.gz KMNHTMVICWCQLP-UHFFFAOYSA-N -1 3 328.292 0.870 20 50 ECGDHM Cn1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000826355112 607716033 /nfs/dbraw/zinc/71/60/33/607716033.db2.gz KMNHTMVICWCQLP-UHFFFAOYSA-N -1 3 328.292 0.870 20 50 ECGDHM C[C@@H](Sc1nncn1C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824764778 607716873 /nfs/dbraw/zinc/71/68/73/607716873.db2.gz YMVLQWWPOFHBFL-MRVPVSSYSA-N -1 3 345.392 0.619 20 50 ECGDHM C[C@@H](Sc1nncn1C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824764778 607716875 /nfs/dbraw/zinc/71/68/75/607716875.db2.gz YMVLQWWPOFHBFL-MRVPVSSYSA-N -1 3 345.392 0.619 20 50 ECGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCCn2ncnc21 ZINC000823280942 606589953 /nfs/dbraw/zinc/58/99/53/606589953.db2.gz IZAKZLRRSSDPCB-LLVKDONJSA-N -1 3 340.351 0.619 20 50 ECGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCCn2ncnc21 ZINC000823280942 606589955 /nfs/dbraw/zinc/58/99/55/606589955.db2.gz IZAKZLRRSSDPCB-LLVKDONJSA-N -1 3 340.351 0.619 20 50 ECGDHM C=CCN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000823903755 608266677 /nfs/dbraw/zinc/26/66/77/608266677.db2.gz JBHSUUKNPQMFEY-UHFFFAOYSA-N -1 3 341.375 0.278 20 50 ECGDHM C=CCN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000823903755 608266678 /nfs/dbraw/zinc/26/66/78/608266678.db2.gz JBHSUUKNPQMFEY-UHFFFAOYSA-N -1 3 341.375 0.278 20 50 ECGDHM Cc1nnc(CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC000826335491 609206531 /nfs/dbraw/zinc/20/65/31/609206531.db2.gz PILJNLFYRRNIGK-UHFFFAOYSA-N -1 3 331.365 0.853 20 50 ECGDHM Cc1nnc(CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC000826335491 609206532 /nfs/dbraw/zinc/20/65/32/609206532.db2.gz PILJNLFYRRNIGK-UHFFFAOYSA-N -1 3 331.365 0.853 20 50 ECGDHM C[C@]1(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCCOC1 ZINC000824783314 609295396 /nfs/dbraw/zinc/29/53/96/609295396.db2.gz FLMQLZULIJJFFI-HNNXBMFYSA-N -1 3 330.348 0.444 20 50 ECGDHM C[C@]1(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCCOC1 ZINC000824783314 609295399 /nfs/dbraw/zinc/29/53/99/609295399.db2.gz FLMQLZULIJJFFI-HNNXBMFYSA-N -1 3 330.348 0.444 20 50 ECGDHM C[C@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1F ZINC000824948024 609446143 /nfs/dbraw/zinc/44/61/43/609446143.db2.gz SIORHUQEMPAUQQ-CABZTGNLSA-N -1 3 347.354 0.901 20 50 ECGDHM C[C@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1F ZINC000824948024 609446144 /nfs/dbraw/zinc/44/61/44/609446144.db2.gz SIORHUQEMPAUQQ-CABZTGNLSA-N -1 3 347.354 0.901 20 50 ECGDHM COCC(=O)N[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000826147879 607344164 /nfs/dbraw/zinc/34/41/64/607344164.db2.gz OTKVRYDMZMPDSO-ZDUSSCGKSA-N -1 3 347.379 0.097 20 50 ECGDHM CCc1n[nH]c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000825679863 607462469 /nfs/dbraw/zinc/46/24/69/607462469.db2.gz LDAXFVPHBQTXHK-UHFFFAOYSA-N -1 3 343.307 0.817 20 50 ECGDHM CC(C)(C)C(=O)NNC(=O)CN(CCC(=O)[O-])C1CCOCC1 ZINC000826134996 601049887 /nfs/dbraw/zinc/04/98/87/601049887.db2.gz NWTCJGBTZKBHEG-UHFFFAOYSA-N -1 3 329.397 0.136 20 50 ECGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)Cc1cccnc1 ZINC000826249772 607685280 /nfs/dbraw/zinc/68/52/80/607685280.db2.gz UBMUFVUDMRNAPA-UHFFFAOYSA-N -1 3 337.343 0.574 20 50 ECGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)Cc1cccnc1 ZINC000826249772 607685281 /nfs/dbraw/zinc/68/52/81/607685281.db2.gz UBMUFVUDMRNAPA-UHFFFAOYSA-N -1 3 337.343 0.574 20 50 ECGDHM CC[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)N1CCCC1=O ZINC000825038709 607718801 /nfs/dbraw/zinc/71/88/01/607718801.db2.gz GOIGCFFQBAWMAM-GFCCVEGCSA-N -1 3 329.364 0.711 20 50 ECGDHM CC[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)N1CCCC1=O ZINC000825038709 607718803 /nfs/dbraw/zinc/71/88/03/607718803.db2.gz GOIGCFFQBAWMAM-GFCCVEGCSA-N -1 3 329.364 0.711 20 50 ECGDHM CCOC(=O)NCCCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825524011 607756107 /nfs/dbraw/zinc/75/61/07/607756107.db2.gz YHGICCYKMALXMC-UHFFFAOYSA-N -1 3 333.352 0.836 20 50 ECGDHM CS[C@@H](C)CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826225588 607757787 /nfs/dbraw/zinc/75/77/87/607757787.db2.gz FNCPPDWUOZFUST-QMMMGPOBSA-N -1 3 335.393 0.562 20 50 ECGDHM CS[C@@H](C)CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826225588 607757788 /nfs/dbraw/zinc/75/77/88/607757788.db2.gz FNCPPDWUOZFUST-QMMMGPOBSA-N -1 3 335.393 0.562 20 50 ECGDHM CS[C@@H](C)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826225928 607757841 /nfs/dbraw/zinc/75/78/41/607757841.db2.gz NQTFOXGSXSKJKE-QMMMGPOBSA-N -1 3 335.393 0.562 20 50 ECGDHM CS[C@@H](C)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826225928 607757842 /nfs/dbraw/zinc/75/78/42/607757842.db2.gz NQTFOXGSXSKJKE-QMMMGPOBSA-N -1 3 335.393 0.562 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CO)C2CC2)cc(-c2nnn[n-]2)n1C ZINC000826235316 608174262 /nfs/dbraw/zinc/17/42/62/608174262.db2.gz HIOYTMOSECPDTN-YFTXEMMHSA-N -1 3 341.375 0.308 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CO)C2CC2)cc(-c2nn[n-]n2)n1C ZINC000826235316 608174264 /nfs/dbraw/zinc/17/42/64/608174264.db2.gz HIOYTMOSECPDTN-YFTXEMMHSA-N -1 3 341.375 0.308 20 50 ECGDHM CC(=O)C[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000823966848 608381456 /nfs/dbraw/zinc/38/14/56/608381456.db2.gz CBJKHDWIFJEDMR-UWZPUTRXSA-N -1 3 341.375 0.904 20 50 ECGDHM CC(=O)C[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000823966848 608381458 /nfs/dbraw/zinc/38/14/58/608381458.db2.gz CBJKHDWIFJEDMR-UWZPUTRXSA-N -1 3 341.375 0.904 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)NCc2ncccn2)cc(-c2nnn[n-]2)n1C ZINC000826235042 608814023 /nfs/dbraw/zinc/81/40/23/608814023.db2.gz AHXVAXJGEUQKJS-SDQBBNPISA-N -1 3 349.358 0.527 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)NCc2ncccn2)cc(-c2nn[n-]n2)n1C ZINC000826235042 608814027 /nfs/dbraw/zinc/81/40/27/608814027.db2.gz AHXVAXJGEUQKJS-SDQBBNPISA-N -1 3 349.358 0.527 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)NC2=NO[C@@H](C)C2)cc(-c2nn[n-]n2)n1C ZINC000826236088 609261550 /nfs/dbraw/zinc/26/15/50/609261550.db2.gz YCQFAUALYKEVBW-UASDCXGESA-N -1 3 340.347 0.659 20 50 ECGDHM C[C@H](NC(=O)c1ccco1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824521243 607339934 /nfs/dbraw/zinc/33/99/34/607339934.db2.gz IPIMGIBMBCFIPJ-VIFPVBQESA-N -1 3 341.331 0.721 20 50 ECGDHM O=C(NNc1c(F)c(F)nc(F)c1F)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826445360 607683841 /nfs/dbraw/zinc/68/38/41/607683841.db2.gz QVSPDIAYBYAZGM-UHFFFAOYSA-N -1 3 342.216 0.903 20 50 ECGDHM O=C(NNc1c(F)c(F)nc(F)c1F)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826445360 607683843 /nfs/dbraw/zinc/68/38/43/607683843.db2.gz QVSPDIAYBYAZGM-UHFFFAOYSA-N -1 3 342.216 0.903 20 50 ECGDHM COC[C@@](C)(CC(=O)[O-])NCC(=O)NNC(=O)c1cccc(C)c1 ZINC000833721681 605240919 /nfs/dbraw/zinc/24/09/19/605240919.db2.gz DSNYAWCZLUWRNO-MRXNPFEDSA-N -1 3 337.376 0.225 20 50 ECGDHM O=Cc1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)[nH]1 ZINC000823557048 606019270 /nfs/dbraw/zinc/01/92/70/606019270.db2.gz FKWNZFUQUKKGIQ-UHFFFAOYSA-N -1 3 325.288 0.082 20 50 ECGDHM O=Cc1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)[nH]1 ZINC000823557048 606019272 /nfs/dbraw/zinc/01/92/72/606019272.db2.gz FKWNZFUQUKKGIQ-UHFFFAOYSA-N -1 3 325.288 0.082 20 50 ECGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCc2c[nH]nc2C1 ZINC000823281256 606989920 /nfs/dbraw/zinc/98/99/20/606989920.db2.gz PYJBTWUYFZMYIE-LLVKDONJSA-N -1 3 339.363 0.773 20 50 ECGDHM O=C(NNC(=O)N1CC[C@@H](C2CC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444444 608112664 /nfs/dbraw/zinc/11/26/64/608112664.db2.gz GXGZNNLKMLVCDB-CYBMUJFWSA-N -1 3 341.375 0.953 20 50 ECGDHM O=C(NNC(=O)N1CC[C@@H](C2CC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444444 608112665 /nfs/dbraw/zinc/11/26/65/608112665.db2.gz GXGZNNLKMLVCDB-CYBMUJFWSA-N -1 3 341.375 0.953 20 50 ECGDHM COc1ccccc1CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826219610 608119916 /nfs/dbraw/zinc/11/99/16/608119916.db2.gz JXVBATPNIRELQD-UHFFFAOYSA-N -1 3 341.331 0.207 20 50 ECGDHM COc1ccccc1CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826219610 608119917 /nfs/dbraw/zinc/11/99/17/608119917.db2.gz JXVBATPNIRELQD-UHFFFAOYSA-N -1 3 341.331 0.207 20 50 ECGDHM C[C@H]1C[C@H](C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1=O ZINC000824866637 608120549 /nfs/dbraw/zinc/12/05/49/608120549.db2.gz NBAPXOSOBXGVRV-JOYOIKCWSA-N -1 3 342.359 0.633 20 50 ECGDHM C[C@H]1C[C@H](C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1=O ZINC000824866637 608120550 /nfs/dbraw/zinc/12/05/50/608120550.db2.gz NBAPXOSOBXGVRV-JOYOIKCWSA-N -1 3 342.359 0.633 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CO)C2CC2)cc(-c2nnn[n-]2)n1C ZINC000826235314 608174222 /nfs/dbraw/zinc/17/42/22/608174222.db2.gz HIOYTMOSECPDTN-QWGHSUKYSA-N -1 3 341.375 0.308 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CO)C2CC2)cc(-c2nn[n-]n2)n1C ZINC000826235314 608174224 /nfs/dbraw/zinc/17/42/24/608174224.db2.gz HIOYTMOSECPDTN-QWGHSUKYSA-N -1 3 341.375 0.308 20 50 ECGDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)S(=O)(=O)CBr ZINC000825961373 608212215 /nfs/dbraw/zinc/21/22/15/608212215.db2.gz DPWHPZXUJCTOFE-UHFFFAOYSA-N -1 3 346.210 0.981 20 50 ECGDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)S(=O)(=O)CBr ZINC000825961373 608212217 /nfs/dbraw/zinc/21/22/17/608212217.db2.gz DPWHPZXUJCTOFE-UHFFFAOYSA-N -1 3 346.210 0.981 20 50 ECGDHM O=C(NNc1ccnc(F)c1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826449173 609301645 /nfs/dbraw/zinc/30/16/45/609301645.db2.gz FLHOYNSXRQJMEK-LBPRGKRZSA-N -1 3 329.295 0.578 20 50 ECGDHM O=C(NNc1ccnc(F)c1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826449173 609301646 /nfs/dbraw/zinc/30/16/46/609301646.db2.gz FLHOYNSXRQJMEK-LBPRGKRZSA-N -1 3 329.295 0.578 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N2CCC(=O)CC2)cc(-c2nnn[n-]2)n1C ZINC000826235829 609423543 /nfs/dbraw/zinc/42/35/43/609423543.db2.gz SBZNYXUJGYNSMA-GHXNOFRVSA-N -1 3 339.359 0.612 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N2CCC(=O)CC2)cc(-c2nn[n-]n2)n1C ZINC000826235829 609423544 /nfs/dbraw/zinc/42/35/44/609423544.db2.gz SBZNYXUJGYNSMA-GHXNOFRVSA-N -1 3 339.359 0.612 20 50 ECGDHM CC[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)N1CCCC1=O ZINC000825039348 607344131 /nfs/dbraw/zinc/34/41/31/607344131.db2.gz PYIXIJWPEYHROB-GFCCVEGCSA-N -1 3 329.364 0.711 20 50 ECGDHM Cc1nn2cccnc2c1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826334609 607356847 /nfs/dbraw/zinc/35/68/47/607356847.db2.gz BOVWMUOUUJNUKW-UHFFFAOYSA-N -1 3 335.331 0.975 20 50 ECGDHM C[C@H](NC(=O)c1ccco1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824522101 607710993 /nfs/dbraw/zinc/71/09/93/607710993.db2.gz QBEYXQDJTWUGRK-VIFPVBQESA-N -1 3 341.331 0.721 20 50 ECGDHM C[C@H](NC(=O)c1ccco1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824522101 607710995 /nfs/dbraw/zinc/71/09/95/607710995.db2.gz QBEYXQDJTWUGRK-VIFPVBQESA-N -1 3 341.331 0.721 20 50 ECGDHM CCC(=O)N1CSC[C@H]1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825034399 607720576 /nfs/dbraw/zinc/72/05/76/607720576.db2.gz JMVXBYJRSALZMX-NSHDSACASA-N -1 3 347.404 0.621 20 50 ECGDHM CCC(=O)N1CSC[C@H]1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825034399 607720577 /nfs/dbraw/zinc/72/05/77/607720577.db2.gz JMVXBYJRSALZMX-NSHDSACASA-N -1 3 347.404 0.621 20 50 ECGDHM NC(=O)NCCCCCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826392715 607726344 /nfs/dbraw/zinc/72/63/44/607726344.db2.gz KIGGZZOWJZWFTK-UHFFFAOYSA-N -1 3 332.368 0.539 20 50 ECGDHM NC(=O)NCCCCCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826392715 607726346 /nfs/dbraw/zinc/72/63/46/607726346.db2.gz KIGGZZOWJZWFTK-UHFFFAOYSA-N -1 3 332.368 0.539 20 50 ECGDHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824470051 607730474 /nfs/dbraw/zinc/73/04/74/607730474.db2.gz FKSYYSVPSBSENF-SECBINFHSA-N -1 3 331.380 0.861 20 50 ECGDHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824470051 607730476 /nfs/dbraw/zinc/73/04/76/607730476.db2.gz FKSYYSVPSBSENF-SECBINFHSA-N -1 3 331.380 0.861 20 50 ECGDHM O=C([O-])NCCCC(=O)NNC(=O)[C@H]1CCCN1C1CCCC1 ZINC000834230237 605974910 /nfs/dbraw/zinc/97/49/10/605974910.db2.gz AVPIAPBSLOBHNK-GFCCVEGCSA-N -1 3 326.397 0.589 20 50 ECGDHM CC[C@H](CCO)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825115242 607907728 /nfs/dbraw/zinc/90/77/28/607907728.db2.gz VSQFENPROBMYCW-FFXRNRBCSA-N -1 3 343.391 0.698 20 50 ECGDHM CC[C@H](CCO)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825115242 607907729 /nfs/dbraw/zinc/90/77/29/607907729.db2.gz VSQFENPROBMYCW-FFXRNRBCSA-N -1 3 343.391 0.698 20 50 ECGDHM O=C(NCc1noc(C2CC2)n1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826443753 608171744 /nfs/dbraw/zinc/17/17/44/608171744.db2.gz BWTBMSISDWSZEE-UHFFFAOYSA-N -1 3 341.335 0.953 20 50 ECGDHM O=C(NCc1noc(C2CC2)n1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826443753 608171746 /nfs/dbraw/zinc/17/17/46/608171746.db2.gz BWTBMSISDWSZEE-UHFFFAOYSA-N -1 3 341.335 0.953 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@@H]2C)cc(-c2nnn[n-]2)n1C ZINC000826235372 608206675 /nfs/dbraw/zinc/20/66/75/608206675.db2.gz IOVSJSARDSZIIZ-OAKNEQJESA-N -1 3 341.375 0.714 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@@H]2C)cc(-c2nn[n-]n2)n1C ZINC000826235372 608206676 /nfs/dbraw/zinc/20/66/76/608206676.db2.gz IOVSJSARDSZIIZ-OAKNEQJESA-N -1 3 341.375 0.714 20 50 ECGDHM CC(C)(C#N)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824059214 609411428 /nfs/dbraw/zinc/41/14/28/609411428.db2.gz OZNCFIWPOVVSPD-UHFFFAOYSA-N -1 3 328.336 0.360 20 50 ECGDHM CC(C)(C#N)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824059214 609411429 /nfs/dbraw/zinc/41/14/29/609411429.db2.gz OZNCFIWPOVVSPD-UHFFFAOYSA-N -1 3 328.336 0.360 20 50 ECGDHM O=C(Cc1ccccc1F)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826423923 609459881 /nfs/dbraw/zinc/45/98/81/609459881.db2.gz NIELWSYBHIVPKG-UHFFFAOYSA-N -1 3 329.295 0.338 20 50 ECGDHM O=C(Cc1ccccc1F)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826423923 609459882 /nfs/dbraw/zinc/45/98/82/609459882.db2.gz NIELWSYBHIVPKG-UHFFFAOYSA-N -1 3 329.295 0.338 20 50 ECGDHM CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000825182429 609552585 /nfs/dbraw/zinc/55/25/85/609552585.db2.gz IYYLPBBJRNPROA-QWHCGFSZSA-N -1 3 344.375 0.833 20 50 ECGDHM CC[C@@H]1C[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000825182429 609552587 /nfs/dbraw/zinc/55/25/87/609552587.db2.gz IYYLPBBJRNPROA-QWHCGFSZSA-N -1 3 344.375 0.833 20 50 ECGDHM Cn1nnc2cc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000826366901 607336266 /nfs/dbraw/zinc/33/62/66/607336266.db2.gz CLMKCXJSRIVGRA-UHFFFAOYSA-N -1 3 335.331 0.905 20 50 ECGDHM Cn1nnc2cc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000826366901 607336268 /nfs/dbraw/zinc/33/62/68/607336268.db2.gz CLMKCXJSRIVGRA-UHFFFAOYSA-N -1 3 335.331 0.905 20 50 ECGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccc(-n2cnnn2)c1 ZINC000826447192 607347662 /nfs/dbraw/zinc/34/76/62/607347662.db2.gz SDOROGMQPKWTTN-UHFFFAOYSA-N -1 3 348.330 0.599 20 50 ECGDHM CCC(=O)N1CC[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825034577 607355238 /nfs/dbraw/zinc/35/52/38/607355238.db2.gz MDPYJFMXODHMKQ-LLVKDONJSA-N -1 3 329.364 0.568 20 50 ECGDHM NC(=O)CC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826390528 607395158 /nfs/dbraw/zinc/39/51/58/607395158.db2.gz CRXLWNGMEJHFMM-UHFFFAOYSA-N -1 3 329.242 0.204 20 50 ECGDHM NC(=O)CC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826390528 607395159 /nfs/dbraw/zinc/39/51/59/607395159.db2.gz CRXLWNGMEJHFMM-UHFFFAOYSA-N -1 3 329.242 0.204 20 50 ECGDHM COc1ccc(CNC(=O)NNC(=O)C2CCC2)cc1-c1nnn[n-]1 ZINC000826200634 607573729 /nfs/dbraw/zinc/57/37/29/607573729.db2.gz ZZHANFJZXXUWOG-UHFFFAOYSA-N -1 3 345.363 0.506 20 50 ECGDHM COc1ccc(CNC(=O)NNC(=O)C2CCC2)cc1-c1nn[n-]n1 ZINC000826200634 607573733 /nfs/dbraw/zinc/57/37/33/607573733.db2.gz ZZHANFJZXXUWOG-UHFFFAOYSA-N -1 3 345.363 0.506 20 50 ECGDHM Cc1ccc(OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826292366 607683249 /nfs/dbraw/zinc/68/32/49/607683249.db2.gz SAGZEXNYCNSPRN-UHFFFAOYSA-N -1 3 341.331 0.343 20 50 ECGDHM Cc1ccc(OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826292366 607683252 /nfs/dbraw/zinc/68/32/52/607683252.db2.gz SAGZEXNYCNSPRN-UHFFFAOYSA-N -1 3 341.331 0.343 20 50 ECGDHM Cc1nn(C)c(C)c1CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826333676 607715643 /nfs/dbraw/zinc/71/56/43/607715643.db2.gz QPWMWUPNRZKOMT-UHFFFAOYSA-N -1 3 326.364 0.903 20 50 ECGDHM Cc1nn(C)c(C)c1CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826333676 607715645 /nfs/dbraw/zinc/71/56/45/607715645.db2.gz QPWMWUPNRZKOMT-UHFFFAOYSA-N -1 3 326.364 0.903 20 50 ECGDHM O=C(CCc1ccccc1)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826409450 607719245 /nfs/dbraw/zinc/71/92/45/607719245.db2.gz ZNIUVWAUJPRBBN-UHFFFAOYSA-N -1 3 325.332 0.589 20 50 ECGDHM O=C(CCc1ccccc1)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826409450 607719247 /nfs/dbraw/zinc/71/92/47/607719247.db2.gz ZNIUVWAUJPRBBN-UHFFFAOYSA-N -1 3 325.332 0.589 20 50 ECGDHM CCC(=O)N1CC[C@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000825033994 607733128 /nfs/dbraw/zinc/73/31/28/607733128.db2.gz BZJFMRQMIITIAA-NSHDSACASA-N -1 3 329.364 0.568 20 50 ECGDHM CCC(=O)N1CC[C@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000825033994 607733130 /nfs/dbraw/zinc/73/31/30/607733130.db2.gz BZJFMRQMIITIAA-NSHDSACASA-N -1 3 329.364 0.568 20 50 ECGDHM O=C([O-])NCC(=O)NNC(=O)NC[C@@H]1CCCN1Cc1ccccc1 ZINC000834204551 605525558 /nfs/dbraw/zinc/52/55/58/605525558.db2.gz GTNVHNOQQCFPBJ-ZDUSSCGKSA-N -1 3 349.391 0.249 20 50 ECGDHM O=C(NN=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccccn1 ZINC000826444307 607889768 /nfs/dbraw/zinc/88/97/68/607889768.db2.gz AGXWUWPGOONTOX-UHFFFAOYSA-N -1 3 336.315 0.351 20 50 ECGDHM O=C(NN=Cc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccccn1 ZINC000826444307 607889769 /nfs/dbraw/zinc/88/97/69/607889769.db2.gz AGXWUWPGOONTOX-UHFFFAOYSA-N -1 3 336.315 0.351 20 50 ECGDHM CCN(CCCO)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825419926 607944087 /nfs/dbraw/zinc/94/40/87/607944087.db2.gz VJSJHOASWMTJSN-JYRVWZFOSA-N -1 3 343.391 0.652 20 50 ECGDHM CCN(CCCO)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825419926 607944088 /nfs/dbraw/zinc/94/40/88/607944088.db2.gz VJSJHOASWMTJSN-JYRVWZFOSA-N -1 3 343.391 0.652 20 50 ECGDHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826061032 608260782 /nfs/dbraw/zinc/26/07/82/608260782.db2.gz YQQRZUQBPTUJIN-VXGBXAGGSA-N -1 3 344.379 0.408 20 50 ECGDHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826061032 608260784 /nfs/dbraw/zinc/26/07/84/608260784.db2.gz YQQRZUQBPTUJIN-VXGBXAGGSA-N -1 3 344.379 0.408 20 50 ECGDHM O=C(NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444455 609152715 /nfs/dbraw/zinc/15/27/15/609152715.db2.gz HHUKJXZQNFDPER-IJLUTSLNSA-N -1 3 328.332 0.053 20 50 ECGDHM O=C(NNC(=O)[C@@H]1[C@H]2CCCO[C@H]21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444455 609152716 /nfs/dbraw/zinc/15/27/16/609152716.db2.gz HHUKJXZQNFDPER-IJLUTSLNSA-N -1 3 328.332 0.053 20 50 ECGDHM O=C(NNC(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1)c1cccnc1 ZINC000826444993 609287373 /nfs/dbraw/zinc/28/73/73/609287373.db2.gz BWBOEWBUDFLGFM-UHFFFAOYSA-N -1 3 343.734 0.990 20 50 ECGDHM O=C(NNC(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1)c1cccnc1 ZINC000826444993 609287374 /nfs/dbraw/zinc/28/73/74/609287374.db2.gz BWBOEWBUDFLGFM-UHFFFAOYSA-N -1 3 343.734 0.990 20 50 ECGDHM CCC1(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC000825165076 609450139 /nfs/dbraw/zinc/45/01/39/609450139.db2.gz RLKSXYYTWGYTNO-UHFFFAOYSA-N -1 3 344.375 0.835 20 50 ECGDHM CCC1(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000825165076 609450142 /nfs/dbraw/zinc/45/01/42/609450142.db2.gz RLKSXYYTWGYTNO-UHFFFAOYSA-N -1 3 344.375 0.835 20 50 ECGDHM O=C(COCc1ccccc1)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826416723 609465763 /nfs/dbraw/zinc/46/57/63/609465763.db2.gz MDPDYBGXZINICO-UHFFFAOYSA-N -1 3 341.331 0.173 20 50 ECGDHM O=C(COCc1ccccc1)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826416723 609465765 /nfs/dbraw/zinc/46/57/65/609465765.db2.gz MDPDYBGXZINICO-UHFFFAOYSA-N -1 3 341.331 0.173 20 50 ECGDHM CC[C@H]1C[C@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000825182428 609552473 /nfs/dbraw/zinc/55/24/73/609552473.db2.gz IYYLPBBJRNPROA-OLZOCXBDSA-N -1 3 344.375 0.833 20 50 ECGDHM CC[C@H]1C[C@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000825182428 609552477 /nfs/dbraw/zinc/55/24/77/609552477.db2.gz IYYLPBBJRNPROA-OLZOCXBDSA-N -1 3 344.375 0.833 20 50 ECGDHM O=C(NCC[C@H]1CCOC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826436170 609607372 /nfs/dbraw/zinc/60/73/72/609607372.db2.gz KLAGIGIPFVXZBY-JTQLQIEISA-N -1 3 345.363 0.237 20 50 ECGDHM O=C(NCC[C@H]1CCOC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826436170 609607373 /nfs/dbraw/zinc/60/73/73/609607373.db2.gz KLAGIGIPFVXZBY-JTQLQIEISA-N -1 3 345.363 0.237 20 50 ECGDHM C[C@@H](NC(=O)c1ccoc1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824522126 607353455 /nfs/dbraw/zinc/35/34/55/607353455.db2.gz QLOKGZSUJWZAMY-SECBINFHSA-N -1 3 341.331 0.721 20 50 ECGDHM Cn1cc(NC(=O)NNc2ccc(-c3nn[n-]n3)cc2)ccc1=O ZINC000826362491 607672417 /nfs/dbraw/zinc/67/24/17/607672417.db2.gz VIMXYDVJAAYKLR-UHFFFAOYSA-N -1 3 326.320 0.714 20 50 ECGDHM O=C(NNC(=O)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826445475 607682046 /nfs/dbraw/zinc/68/20/46/607682046.db2.gz WDBXXOQTXHHONO-UHFFFAOYSA-N -1 3 331.723 0.923 20 50 ECGDHM O=C(NNC(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826445475 607682047 /nfs/dbraw/zinc/68/20/47/607682047.db2.gz WDBXXOQTXHHONO-UHFFFAOYSA-N -1 3 331.723 0.923 20 50 ECGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)Cc1ccncc1 ZINC000826249409 607700423 /nfs/dbraw/zinc/70/04/23/607700423.db2.gz BDRQXVZVBDZQGD-UHFFFAOYSA-N -1 3 337.343 0.574 20 50 ECGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)Cc1ccncc1 ZINC000826249409 607700425 /nfs/dbraw/zinc/70/04/25/607700425.db2.gz BDRQXVZVBDZQGD-UHFFFAOYSA-N -1 3 337.343 0.574 20 50 ECGDHM O=C(CCn1ccccc1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409784 607719452 /nfs/dbraw/zinc/71/94/52/607719452.db2.gz OXLAQCJAWXSFHI-UHFFFAOYSA-N -1 3 325.332 0.562 20 50 ECGDHM O=C(CCn1ccccc1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409784 607719454 /nfs/dbraw/zinc/71/94/54/607719454.db2.gz OXLAQCJAWXSFHI-UHFFFAOYSA-N -1 3 325.332 0.562 20 50 ECGDHM CC(=NNC(=O)[C@H]1COCCO1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948082 609158269 /nfs/dbraw/zinc/15/82/69/609158269.db2.gz CPTXXNAQWFCTHW-GFCCVEGCSA-N -1 3 334.311 0.261 20 50 ECGDHM CC(=NNC(=O)[C@H]1COCCO1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948082 609158270 /nfs/dbraw/zinc/15/82/70/609158270.db2.gz CPTXXNAQWFCTHW-GFCCVEGCSA-N -1 3 334.311 0.261 20 50 ECGDHM O=C(CCn1cc([N+](=O)[O-])cn1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409586 607348508 /nfs/dbraw/zinc/34/85/08/607348508.db2.gz GKXBXUJWAATUBN-UHFFFAOYSA-N -1 3 343.307 0.505 20 50 ECGDHM Cc1nnc2n1C[C@H](C(=O)NNc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826337588 607569145 /nfs/dbraw/zinc/56/91/45/607569145.db2.gz UCRTVEZGTYDBIH-LLVKDONJSA-N -1 3 339.363 0.472 20 50 ECGDHM Cc1ccc(C(=O)NNC(=O)CN[C@@](C)(CNC(=O)[O-])C2CC2)cc1 ZINC000830224894 605168757 /nfs/dbraw/zinc/16/87/57/605168757.db2.gz CIPVOLJNOGGIAF-KRWDZBQOSA-N -1 3 348.403 0.782 20 50 ECGDHM O=C([O-])NCC(=O)NNC(=O)NC[C@H]1CCCN1Cc1ccccc1 ZINC000834204550 605525626 /nfs/dbraw/zinc/52/56/26/605525626.db2.gz GTNVHNOQQCFPBJ-CYBMUJFWSA-N -1 3 349.391 0.249 20 50 ECGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)NOCC(F)(F)F ZINC000823277598 607053553 /nfs/dbraw/zinc/05/35/53/607053553.db2.gz RKNBGWNWOXTDKW-UHFFFAOYSA-N -1 3 345.241 0.305 20 50 ECGDHM Cc1ccc(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826286488 607818035 /nfs/dbraw/zinc/81/80/35/607818035.db2.gz DNIDKPVMNCYHRG-UHFFFAOYSA-N -1 3 326.316 0.772 20 50 ECGDHM Cc1ccc(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826286488 607818036 /nfs/dbraw/zinc/81/80/36/607818036.db2.gz DNIDKPVMNCYHRG-UHFFFAOYSA-N -1 3 326.316 0.772 20 50 ECGDHM Cc1nn(C)cc1C=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826334425 607882726 /nfs/dbraw/zinc/88/27/26/607882726.db2.gz UPSNSANIQWAKNT-UHFFFAOYSA-N -1 3 340.347 0.438 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@@H](C)CO)cc(-c2nnn[n-]2)n1C ZINC000826235490 607941416 /nfs/dbraw/zinc/94/14/16/607941416.db2.gz KWSXCKNRRDBMTF-CKRYBIRDSA-N -1 3 343.391 0.554 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@@H](C)CO)cc(-c2nn[n-]n2)n1C ZINC000826235490 607941417 /nfs/dbraw/zinc/94/14/17/607941417.db2.gz KWSXCKNRRDBMTF-CKRYBIRDSA-N -1 3 343.391 0.554 20 50 ECGDHM CCN(CCCO)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825419927 607944144 /nfs/dbraw/zinc/94/41/44/607944144.db2.gz VJSJHOASWMTJSN-MDWZMJQESA-N -1 3 343.391 0.652 20 50 ECGDHM CCN(CCCO)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825419927 607944145 /nfs/dbraw/zinc/94/41/45/607944145.db2.gz VJSJHOASWMTJSN-MDWZMJQESA-N -1 3 343.391 0.652 20 50 ECGDHM Cc1cc(CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)ncn1 ZINC000826267225 607959652 /nfs/dbraw/zinc/95/96/52/607959652.db2.gz WYDRVABPQDFSRB-UHFFFAOYSA-N -1 3 325.336 0.791 20 50 ECGDHM Cc1cc(CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)ncn1 ZINC000826267225 607959653 /nfs/dbraw/zinc/95/96/53/607959653.db2.gz WYDRVABPQDFSRB-UHFFFAOYSA-N -1 3 325.336 0.791 20 50 ECGDHM CC[C@@H](CSC)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825127469 608412812 /nfs/dbraw/zinc/41/28/12/608412812.db2.gz MULTWXRWQNQILG-NSHDSACASA-N -1 3 349.420 0.952 20 50 ECGDHM CC[C@@H](CSC)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825127469 608412814 /nfs/dbraw/zinc/41/28/14/608412814.db2.gz MULTWXRWQNQILG-NSHDSACASA-N -1 3 349.420 0.952 20 50 ECGDHM CC(C)C[C@@H](CO)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824235844 609446100 /nfs/dbraw/zinc/44/61/00/609446100.db2.gz KYQBVRUPOMMXJG-LBPRGKRZSA-N -1 3 347.379 0.218 20 50 ECGDHM CC(C)C[C@@H](CO)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824235844 609446101 /nfs/dbraw/zinc/44/61/01/609446101.db2.gz KYQBVRUPOMMXJG-LBPRGKRZSA-N -1 3 347.379 0.218 20 50 ECGDHM CC(C)(C(=O)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824064965 609457999 /nfs/dbraw/zinc/45/79/99/609457999.db2.gz QIGINNFAIACZAD-UHFFFAOYSA-N -1 3 339.359 0.934 20 50 ECGDHM CC(C)(C(=O)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824064965 609458002 /nfs/dbraw/zinc/45/80/02/609458002.db2.gz QIGINNFAIACZAD-UHFFFAOYSA-N -1 3 339.359 0.934 20 50 ECGDHM Cc1nc([N+](=O)[O-])cn1CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826327478 607334353 /nfs/dbraw/zinc/33/43/53/607334353.db2.gz JKPLXRQLLDTMKL-UHFFFAOYSA-N -1 3 343.307 0.423 20 50 ECGDHM Cc1nc([N+](=O)[O-])cn1CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826327478 607334354 /nfs/dbraw/zinc/33/43/54/607334354.db2.gz JKPLXRQLLDTMKL-UHFFFAOYSA-N -1 3 343.307 0.423 20 50 ECGDHM Cn1nnc2cc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000826367006 607355589 /nfs/dbraw/zinc/35/55/89/607355589.db2.gz HNTZDLYMMSGLOS-UHFFFAOYSA-N -1 3 335.331 0.905 20 50 ECGDHM Cc1nnc2n1C[C@@H](C(=O)NNc1ccc(-c3nn[n-]n3)cc1)CC2 ZINC000826337589 607569351 /nfs/dbraw/zinc/56/93/51/607569351.db2.gz UCRTVEZGTYDBIH-NSHDSACASA-N -1 3 339.363 0.472 20 50 ECGDHM COC1(CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC000826143473 607629501 /nfs/dbraw/zinc/62/95/01/607629501.db2.gz AQYZSEIECPQKQG-UHFFFAOYSA-N -1 3 347.379 0.688 20 50 ECGDHM COC1(CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC000826143473 607629503 /nfs/dbraw/zinc/62/95/03/607629503.db2.gz AQYZSEIECPQKQG-UHFFFAOYSA-N -1 3 347.379 0.688 20 50 ECGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)c1cccn1C ZINC000826249634 607651945 /nfs/dbraw/zinc/65/19/45/607651945.db2.gz MFKSDPTXNAUUKL-UHFFFAOYSA-N -1 3 325.332 0.588 20 50 ECGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)c1cccn1C ZINC000826249634 607651946 /nfs/dbraw/zinc/65/19/46/607651946.db2.gz MFKSDPTXNAUUKL-UHFFFAOYSA-N -1 3 325.332 0.588 20 50 ECGDHM O=C(CN1CCCCCC1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826410697 607716184 /nfs/dbraw/zinc/71/61/84/607716184.db2.gz VQGSFWWRFKWJLI-UHFFFAOYSA-N -1 3 329.364 0.712 20 50 ECGDHM O=C(CN1CCCCCC1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826410697 607716186 /nfs/dbraw/zinc/71/61/86/607716186.db2.gz VQGSFWWRFKWJLI-UHFFFAOYSA-N -1 3 329.364 0.712 20 50 ECGDHM Cn1nnnc1SCCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826367095 607732119 /nfs/dbraw/zinc/73/21/19/607732119.db2.gz LQQVMOHJJWXHKT-UHFFFAOYSA-N -1 3 346.380 0.016 20 50 ECGDHM Cn1nnnc1SCCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826367095 607732120 /nfs/dbraw/zinc/73/21/20/607732120.db2.gz LQQVMOHJJWXHKT-UHFFFAOYSA-N -1 3 346.380 0.016 20 50 ECGDHM CC(C)(C(=O)[O-])[C@@H](NCC(=O)NNC(=O)C1CC1)c1ccccc1 ZINC000833413434 605182972 /nfs/dbraw/zinc/18/29/72/605182972.db2.gz NAPBWXAYICMHNH-AWEZNQCLSA-N -1 3 333.388 0.986 20 50 ECGDHM C[C@](O)(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000824671083 607889195 /nfs/dbraw/zinc/88/91/95/607889195.db2.gz WREZHVJTZQQQFT-HNNXBMFYSA-N -1 3 330.348 0.179 20 50 ECGDHM C[C@](O)(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000824671083 607889196 /nfs/dbraw/zinc/88/91/96/607889196.db2.gz WREZHVJTZQQQFT-HNNXBMFYSA-N -1 3 330.348 0.179 20 50 ECGDHM C[C@@](O)(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000824669476 607893721 /nfs/dbraw/zinc/89/37/21/607893721.db2.gz CFSVRPADKBHVDK-OAHLLOKOSA-N -1 3 330.348 0.179 20 50 ECGDHM C[C@@](O)(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000824669476 607893722 /nfs/dbraw/zinc/89/37/22/607893722.db2.gz CFSVRPADKBHVDK-OAHLLOKOSA-N -1 3 330.348 0.179 20 50 ECGDHM C[C@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cn[nH]c1 ZINC000824498347 607939862 /nfs/dbraw/zinc/93/98/62/607939862.db2.gz FKDFMVHOVTVBNW-QMMMGPOBSA-N -1 3 341.335 0.295 20 50 ECGDHM C[C@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cn[nH]c1 ZINC000824498347 607939863 /nfs/dbraw/zinc/93/98/63/607939863.db2.gz FKDFMVHOVTVBNW-QMMMGPOBSA-N -1 3 341.335 0.295 20 50 ECGDHM Cc1nc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(=O)[nH]c1C ZINC000826323803 608200507 /nfs/dbraw/zinc/20/05/07/608200507.db2.gz RZXOBRHNVPRREX-UHFFFAOYSA-N -1 3 326.320 0.324 20 50 ECGDHM CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826061030 608260383 /nfs/dbraw/zinc/26/03/83/608260383.db2.gz YQQRZUQBPTUJIN-NWDGAFQWSA-N -1 3 344.379 0.408 20 50 ECGDHM CNC(=O)[C@H]1CCC[C@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826061030 608260384 /nfs/dbraw/zinc/26/03/84/608260384.db2.gz YQQRZUQBPTUJIN-NWDGAFQWSA-N -1 3 344.379 0.408 20 50 ECGDHM N#Cc1cc(Cl)nc(NNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000826384265 608542599 /nfs/dbraw/zinc/54/25/99/608542599.db2.gz NVVVKOYZPHIYSE-UHFFFAOYSA-N -1 3 329.711 0.872 20 50 ECGDHM N#Cc1cc(Cl)nc(NNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000826384265 608542601 /nfs/dbraw/zinc/54/26/01/608542601.db2.gz NVVVKOYZPHIYSE-UHFFFAOYSA-N -1 3 329.711 0.872 20 50 ECGDHM CCN(CC)c1cc[nH]c(=NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)n1 ZINC000825418122 609225503 /nfs/dbraw/zinc/22/55/03/609225503.db2.gz XKWIMTNDYSPEFS-UHFFFAOYSA-N -1 3 342.367 0.588 20 50 ECGDHM CCN(CC)c1cc[nH]c(=NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)n1 ZINC000825418122 609225505 /nfs/dbraw/zinc/22/55/05/609225505.db2.gz XKWIMTNDYSPEFS-UHFFFAOYSA-N -1 3 342.367 0.588 20 50 ECGDHM C[C@]1(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCCOC1 ZINC000824783190 609282081 /nfs/dbraw/zinc/28/20/81/609282081.db2.gz DSPNXWABCQBGKH-HNNXBMFYSA-N -1 3 330.348 0.444 20 50 ECGDHM C[C@]1(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCCOC1 ZINC000824783190 609282082 /nfs/dbraw/zinc/28/20/82/609282082.db2.gz DSPNXWABCQBGKH-HNNXBMFYSA-N -1 3 330.348 0.444 20 50 ECGDHM O=C(NCC[C@@H]1CCOC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826436171 609607082 /nfs/dbraw/zinc/60/70/82/609607082.db2.gz KLAGIGIPFVXZBY-SNVBAGLBSA-N -1 3 345.363 0.237 20 50 ECGDHM O=C(NCC[C@@H]1CCOC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826436171 609607083 /nfs/dbraw/zinc/60/70/83/609607083.db2.gz KLAGIGIPFVXZBY-SNVBAGLBSA-N -1 3 345.363 0.237 20 50 ECGDHM CNC(=O)C1(C(=O)N[N-]C(=O)c2ccccc2Br)CC1 ZINC000106009081 589167991 /nfs/dbraw/zinc/16/79/91/589167991.db2.gz XFPLJDMYKNUGOF-UHFFFAOYSA-N -1 3 340.177 0.736 20 50 ECGDHM CC(C)(C)OC(=O)NCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824109894 607348708 /nfs/dbraw/zinc/34/87/08/607348708.db2.gz YMCZVSLEDWSQPG-UHFFFAOYSA-N -1 3 333.352 0.835 20 50 ECGDHM Cc1occc1C(=O)NCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826342689 607465060 /nfs/dbraw/zinc/46/50/60/607465060.db2.gz WBVSPSVUEQYASY-UHFFFAOYSA-N -1 3 341.331 0.641 20 50 ECGDHM O=C(NNc1nc(=O)c2ccccc2[nH]1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823285299 606870534 /nfs/dbraw/zinc/87/05/34/606870534.db2.gz PSSLKTWECOZOKA-UHFFFAOYSA-N -1 3 337.303 0.601 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@@H](C)CO)cc(-c2nnn[n-]2)n1C ZINC000826235492 607941631 /nfs/dbraw/zinc/94/16/31/607941631.db2.gz KWSXCKNRRDBMTF-WMSUZZNGSA-N -1 3 343.391 0.554 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@@H](C)CO)cc(-c2nn[n-]n2)n1C ZINC000826235492 607941632 /nfs/dbraw/zinc/94/16/32/607941632.db2.gz KWSXCKNRRDBMTF-WMSUZZNGSA-N -1 3 343.391 0.554 20 50 ECGDHM COC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826104355 608104049 /nfs/dbraw/zinc/10/40/49/608104049.db2.gz VGHHTHGATZEPLB-JTTRITNRSA-N -1 3 344.331 0.525 20 50 ECGDHM COC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826104355 608104050 /nfs/dbraw/zinc/10/40/50/608104050.db2.gz VGHHTHGATZEPLB-JTTRITNRSA-N -1 3 344.331 0.525 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N2C[C@H](O)[C@@H](C)C2)cc(-c2nnn[n-]2)n1C ZINC000826235618 608636975 /nfs/dbraw/zinc/63/69/75/608636975.db2.gz NGKYROUFBSEGJN-WNIFSSEDSA-N -1 3 341.375 0.260 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N2C[C@H](O)[C@@H](C)C2)cc(-c2nn[n-]n2)n1C ZINC000826235618 608636976 /nfs/dbraw/zinc/63/69/76/608636976.db2.gz NGKYROUFBSEGJN-WNIFSSEDSA-N -1 3 341.375 0.260 20 50 ECGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=C1CCCOCC1 ZINC000826419206 608884424 /nfs/dbraw/zinc/88/44/24/608884424.db2.gz NXLXIMFNBGEAAA-UHFFFAOYSA-N -1 3 330.348 0.918 20 50 ECGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=C1CCCOCC1 ZINC000826419206 608884427 /nfs/dbraw/zinc/88/44/27/608884427.db2.gz NXLXIMFNBGEAAA-UHFFFAOYSA-N -1 3 330.348 0.918 20 50 ECGDHM O=C(NNC(=O)c1cccc(Cl)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826445285 609409907 /nfs/dbraw/zinc/40/99/07/609409907.db2.gz NQLNQIBPWFIGDD-UHFFFAOYSA-N -1 3 331.723 0.923 20 50 ECGDHM Cn1ncc2cc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)cnc21 ZINC000826366327 607346048 /nfs/dbraw/zinc/34/60/48/607346048.db2.gz CJJVNDCVDOHLSG-UHFFFAOYSA-N -1 3 335.331 0.905 20 50 ECGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C1(C(=O)NC2CC2)CCC1 ZINC000826447807 607338046 /nfs/dbraw/zinc/33/80/46/607338046.db2.gz WWTKNOBSZIKWKG-UHFFFAOYSA-N -1 3 341.375 0.759 20 50 ECGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C1(C(=O)NC2CC2)CCC1 ZINC000826447807 607338048 /nfs/dbraw/zinc/33/80/48/607338048.db2.gz WWTKNOBSZIKWKG-UHFFFAOYSA-N -1 3 341.375 0.759 20 50 ECGDHM CC(=O)N1CSC[C@@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000823989129 607340231 /nfs/dbraw/zinc/34/02/31/607340231.db2.gz NGYOZRRXBSJNIB-LLVKDONJSA-N -1 3 333.377 0.231 20 50 ECGDHM CC(C)C(=O)N1CCC[C@@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824177231 607342615 /nfs/dbraw/zinc/34/26/15/607342615.db2.gz FJNICGAWKFSIIQ-CYBMUJFWSA-N -1 3 343.391 0.957 20 50 ECGDHM CC(C)C(=O)N1CCC[C@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824177233 607342731 /nfs/dbraw/zinc/34/27/31/607342731.db2.gz FJNICGAWKFSIIQ-ZDUSSCGKSA-N -1 3 343.391 0.957 20 50 ECGDHM C[C@@H](OC[C@@H]1CCCO1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824731840 607345454 /nfs/dbraw/zinc/34/54/54/607345454.db2.gz ZDBIKXPQDHFBEA-MFKMUULPSA-N -1 3 332.364 0.894 20 50 ECGDHM CC(C)CN1C[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000824261841 607352386 /nfs/dbraw/zinc/35/23/86/607352386.db2.gz RSNQADLQAHJNOQ-GFCCVEGCSA-N -1 3 343.391 0.814 20 50 ECGDHM COC[C@@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000826150614 607537402 /nfs/dbraw/zinc/53/74/02/607537402.db2.gz IERLSEOQBHFHET-GFCCVEGCSA-N -1 3 345.363 0.236 20 50 ECGDHM COC[C@@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000826150614 607537404 /nfs/dbraw/zinc/53/74/04/607537404.db2.gz IERLSEOQBHFHET-GFCCVEGCSA-N -1 3 345.363 0.236 20 50 ECGDHM Cn1c2ccccc2sc1=NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826354814 607690145 /nfs/dbraw/zinc/69/01/45/607690145.db2.gz WEEDUQUNZCPKFA-UHFFFAOYSA-N -1 3 340.372 0.994 20 50 ECGDHM Cn1c2ccccc2sc1=NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826354814 607690147 /nfs/dbraw/zinc/69/01/47/607690147.db2.gz WEEDUQUNZCPKFA-UHFFFAOYSA-N -1 3 340.372 0.994 20 50 ECGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000826448696 607730712 /nfs/dbraw/zinc/73/07/12/607730712.db2.gz HKJSBLJWFQBXES-UHFFFAOYSA-N -1 3 326.276 0.927 20 50 ECGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc([N+](=O)[O-])cn1 ZINC000826448696 607730714 /nfs/dbraw/zinc/73/07/14/607730714.db2.gz HKJSBLJWFQBXES-UHFFFAOYSA-N -1 3 326.276 0.927 20 50 ECGDHM CCC(CC)NC(=O)C(=O)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000825108681 607888402 /nfs/dbraw/zinc/88/84/02/607888402.db2.gz ZBQCOLSCPFBBIE-UHFFFAOYSA-N -1 3 329.364 0.622 20 50 ECGDHM CCC(CC)NC(=O)C(=O)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000825108681 607888403 /nfs/dbraw/zinc/88/84/03/607888403.db2.gz ZBQCOLSCPFBBIE-UHFFFAOYSA-N -1 3 329.364 0.622 20 50 ECGDHM NC(=O)c1cccc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826393084 607888628 /nfs/dbraw/zinc/88/86/28/607888628.db2.gz AVRRDOHMXRXMAD-UHFFFAOYSA-N -1 3 335.327 0.730 20 50 ECGDHM NC(=O)c1cccc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826393084 607888629 /nfs/dbraw/zinc/88/86/29/607888629.db2.gz AVRRDOHMXRXMAD-UHFFFAOYSA-N -1 3 335.327 0.730 20 50 ECGDHM C[C@](O)(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000824669474 607893777 /nfs/dbraw/zinc/89/37/77/607893777.db2.gz CFSVRPADKBHVDK-HNNXBMFYSA-N -1 3 330.348 0.179 20 50 ECGDHM C[C@](O)(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000824669474 607893778 /nfs/dbraw/zinc/89/37/78/607893778.db2.gz CFSVRPADKBHVDK-HNNXBMFYSA-N -1 3 330.348 0.179 20 50 ECGDHM C=CCN(CC=C)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823904294 607920558 /nfs/dbraw/zinc/92/05/58/607920558.db2.gz ZVYKFCUAXGKSKC-UHFFFAOYSA-N -1 3 341.375 0.302 20 50 ECGDHM C=CCN(CC=C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823904294 607920559 /nfs/dbraw/zinc/92/05/59/607920559.db2.gz ZVYKFCUAXGKSKC-UHFFFAOYSA-N -1 3 341.375 0.302 20 50 ECGDHM Cc1ocnc1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826342348 608163509 /nfs/dbraw/zinc/16/35/09/608163509.db2.gz HEJODQRTSNMVKF-UHFFFAOYSA-N -1 3 342.319 0.307 20 50 ECGDHM Cc1ocnc1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826342348 608163510 /nfs/dbraw/zinc/16/35/10/608163510.db2.gz HEJODQRTSNMVKF-UHFFFAOYSA-N -1 3 342.319 0.307 20 50 ECGDHM C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824892444 608761836 /nfs/dbraw/zinc/76/18/36/608761836.db2.gz IFXANLCVLYZGQA-SKDRFNHKSA-N -1 3 345.363 0.378 20 50 ECGDHM C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824892444 608761841 /nfs/dbraw/zinc/76/18/41/608761841.db2.gz IFXANLCVLYZGQA-SKDRFNHKSA-N -1 3 345.363 0.378 20 50 ECGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccn2c(=O)[nH]nc12 ZINC000826448645 609254542 /nfs/dbraw/zinc/25/45/42/609254542.db2.gz FACIIIDVLYMALL-UHFFFAOYSA-N -1 3 337.303 0.372 20 50 ECGDHM CC(C)(C)OC(=O)NCC(=O)NN=Cc1cccc(-c2nnn[n-]2)c1 ZINC000824109783 609307292 /nfs/dbraw/zinc/30/72/92/609307292.db2.gz VLUMKFYZEFKYAL-UHFFFAOYSA-N -1 3 345.363 0.842 20 50 ECGDHM CC(C)(C)OC(=O)NCC(=O)NN=Cc1cccc(-c2nn[n-]n2)c1 ZINC000824109783 609307293 /nfs/dbraw/zinc/30/72/93/609307293.db2.gz VLUMKFYZEFKYAL-UHFFFAOYSA-N -1 3 345.363 0.842 20 50 ECGDHM O=C(NNC(=O)c1ccc(Cl)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826445560 609407385 /nfs/dbraw/zinc/40/73/85/609407385.db2.gz YYOKJUJVJZAICH-UHFFFAOYSA-N -1 3 331.723 0.923 20 50 ECGDHM O=C(NNC(=O)c1ccc(Cl)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826445560 609407387 /nfs/dbraw/zinc/40/73/87/609407387.db2.gz YYOKJUJVJZAICH-UHFFFAOYSA-N -1 3 331.723 0.923 20 50 ECGDHM C[C@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1F ZINC000824948027 609445594 /nfs/dbraw/zinc/44/55/94/609445594.db2.gz SIORHUQEMPAUQQ-JOYOIKCWSA-N -1 3 347.354 0.901 20 50 ECGDHM C[C@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1F ZINC000824948027 609445595 /nfs/dbraw/zinc/44/55/95/609445595.db2.gz SIORHUQEMPAUQQ-JOYOIKCWSA-N -1 3 347.354 0.901 20 50 ECGDHM COc1ccccc1C(=O)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826219076 609458960 /nfs/dbraw/zinc/45/89/60/609458960.db2.gz SFVGEIRNDZQJKK-UHFFFAOYSA-N -1 3 327.304 0.278 20 50 ECGDHM COC(=O)CNC(=O)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000826138555 609523712 /nfs/dbraw/zinc/52/37/12/609523712.db2.gz ZNAJEWOTRBPXPX-UHFFFAOYSA-N -1 3 343.347 0.379 20 50 ECGDHM COC(=O)CNC(=O)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000826138555 609523713 /nfs/dbraw/zinc/52/37/13/609523713.db2.gz ZNAJEWOTRBPXPX-UHFFFAOYSA-N -1 3 343.347 0.379 20 50 ECGDHM COc1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(C)nn1C ZINC000826166319 607343011 /nfs/dbraw/zinc/34/30/11/607343011.db2.gz FRAMWWUPMIRBKO-UHFFFAOYSA-N -1 3 328.336 0.674 20 50 ECGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NN=c1ccnc(N(C)C)[nH]1 ZINC000826249649 607461975 /nfs/dbraw/zinc/46/19/75/607461975.db2.gz MWZDEQUVBPZYLN-UHFFFAOYSA-N -1 3 339.363 0.788 20 50 ECGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NN=c1ccnc(N(C)C)[nH]1 ZINC000826249649 607461976 /nfs/dbraw/zinc/46/19/76/607461976.db2.gz MWZDEQUVBPZYLN-UHFFFAOYSA-N -1 3 339.363 0.788 20 50 ECGDHM O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826444999 607686481 /nfs/dbraw/zinc/68/64/81/607686481.db2.gz CEDOZFYWQLPFAF-UHFFFAOYSA-N -1 3 336.315 0.751 20 50 ECGDHM O=C(NNC(=O)c1c[nH]c2ccccc12)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826444999 607686483 /nfs/dbraw/zinc/68/64/83/607686483.db2.gz CEDOZFYWQLPFAF-UHFFFAOYSA-N -1 3 336.315 0.751 20 50 ECGDHM CC(C)(C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1)c1ccccc1 ZINC000824064806 607732361 /nfs/dbraw/zinc/73/23/61/607732361.db2.gz NDJDCHDMYHCNRV-UHFFFAOYSA-N -1 3 339.359 0.934 20 50 ECGDHM CC(C)(C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1)c1ccccc1 ZINC000824064806 607732363 /nfs/dbraw/zinc/73/23/63/607732363.db2.gz NDJDCHDMYHCNRV-UHFFFAOYSA-N -1 3 339.359 0.934 20 50 ECGDHM O=C(NNC(=O)c1ccc2n[nH]cc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277623 606109420 /nfs/dbraw/zinc/10/94/20/606109420.db2.gz SCNOZXYULHSFPN-UHFFFAOYSA-N -1 3 348.326 0.818 20 50 ECGDHM CCn1ccnc1C=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000825804954 607882938 /nfs/dbraw/zinc/88/29/38/607882938.db2.gz LSCKLBFGBGVLOG-UHFFFAOYSA-N -1 3 340.347 0.612 20 50 ECGDHM CCn1ccnc1C=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000825804954 607882939 /nfs/dbraw/zinc/88/29/39/607882939.db2.gz LSCKLBFGBGVLOG-UHFFFAOYSA-N -1 3 340.347 0.612 20 50 ECGDHM C[C@H](CO)CCCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824433180 607995476 /nfs/dbraw/zinc/99/54/76/607995476.db2.gz CWBNTVPLHGGRTI-JTQLQIEISA-N -1 3 347.379 0.219 20 50 ECGDHM C[C@H](CO)CCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824433180 607995477 /nfs/dbraw/zinc/99/54/77/607995477.db2.gz CWBNTVPLHGGRTI-JTQLQIEISA-N -1 3 347.379 0.219 20 50 ECGDHM O=C(NNC(=O)C1SCCS1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444827 608046648 /nfs/dbraw/zinc/04/66/48/608046648.db2.gz WEHJJGGZDLKPDR-UHFFFAOYSA-N -1 3 336.402 0.434 20 50 ECGDHM O=C(NNC(=O)C1SCCS1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444827 608046649 /nfs/dbraw/zinc/04/66/49/608046649.db2.gz WEHJJGGZDLKPDR-UHFFFAOYSA-N -1 3 336.402 0.434 20 50 ECGDHM C[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1=O ZINC000824866634 608120422 /nfs/dbraw/zinc/12/04/22/608120422.db2.gz NBAPXOSOBXGVRV-BXKDBHETSA-N -1 3 342.359 0.633 20 50 ECGDHM C[C@@H]1C[C@H](C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1=O ZINC000824866634 608120423 /nfs/dbraw/zinc/12/04/23/608120423.db2.gz NBAPXOSOBXGVRV-BXKDBHETSA-N -1 3 342.359 0.633 20 50 ECGDHM C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824892618 608759956 /nfs/dbraw/zinc/75/99/56/608759956.db2.gz KUVZYUOMQQYYSV-JOYOIKCWSA-N -1 3 345.363 0.378 20 50 ECGDHM C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824892618 608759957 /nfs/dbraw/zinc/75/99/57/608759957.db2.gz KUVZYUOMQQYYSV-JOYOIKCWSA-N -1 3 345.363 0.378 20 50 ECGDHM CN(NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1)C(N)=O ZINC000826004067 609394799 /nfs/dbraw/zinc/39/47/99/609394799.db2.gz HFOZYTITVTUUIU-UHFFFAOYSA-N -1 3 346.351 0.017 20 50 ECGDHM CN(NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1)C(N)=O ZINC000826004067 609394800 /nfs/dbraw/zinc/39/48/00/609394800.db2.gz HFOZYTITVTUUIU-UHFFFAOYSA-N -1 3 346.351 0.017 20 50 ECGDHM CC(C)C[C@H](CO)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824235840 609445738 /nfs/dbraw/zinc/44/57/38/609445738.db2.gz KYQBVRUPOMMXJG-GFCCVEGCSA-N -1 3 347.379 0.218 20 50 ECGDHM CC(C)C[C@H](CO)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824235840 609445741 /nfs/dbraw/zinc/44/57/41/609445741.db2.gz KYQBVRUPOMMXJG-GFCCVEGCSA-N -1 3 347.379 0.218 20 50 ECGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)NCC(F)(F)F ZINC000826249871 607338885 /nfs/dbraw/zinc/33/88/85/607338885.db2.gz ZAIISJKQUZLEEJ-UHFFFAOYSA-N -1 3 343.269 0.681 20 50 ECGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)NCC(F)(F)F ZINC000826249871 607338887 /nfs/dbraw/zinc/33/88/87/607338887.db2.gz ZAIISJKQUZLEEJ-UHFFFAOYSA-N -1 3 343.269 0.681 20 50 ECGDHM CS(=O)(=O)c1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826223847 607340648 /nfs/dbraw/zinc/34/06/48/607340648.db2.gz CEXUMJMEWKNKPP-UHFFFAOYSA-N -1 3 348.344 0.620 20 50 ECGDHM CCC(=O)N1CSC[C@@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825034786 607345293 /nfs/dbraw/zinc/34/52/93/607345293.db2.gz PSRGDINYZRFZFF-LLVKDONJSA-N -1 3 347.404 0.621 20 50 ECGDHM CC(C)(C)C(=O)NCCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824064809 607348735 /nfs/dbraw/zinc/34/87/35/607348735.db2.gz NHIDOZMVUSYMQD-UHFFFAOYSA-N -1 3 331.380 0.862 20 50 ECGDHM O=C(CCNC(=O)c1ccco1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826407406 607350546 /nfs/dbraw/zinc/35/05/46/607350546.db2.gz MDKYEVYGUFBZBO-UHFFFAOYSA-N -1 3 341.331 0.723 20 50 ECGDHM CCC(=O)N1CCC[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825035233 607351276 /nfs/dbraw/zinc/35/12/76/607351276.db2.gz YNAMFRIQEXBDSM-GFCCVEGCSA-N -1 3 343.391 0.958 20 50 ECGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc([N+](=O)[O-])cn1 ZINC000826446999 607352182 /nfs/dbraw/zinc/35/21/82/607352182.db2.gz IWOMPELEMNWHNY-UHFFFAOYSA-N -1 3 326.276 0.927 20 50 ECGDHM O=C(NNC(=O)c1cc2c(s1)CCC2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826445433 607683602 /nfs/dbraw/zinc/68/36/02/607683602.db2.gz UMPLOAPWJPEUOC-UHFFFAOYSA-N -1 3 343.372 0.820 20 50 ECGDHM O=C(NNC(=O)c1cc2c(s1)CCC2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826445433 607683604 /nfs/dbraw/zinc/68/36/04/607683604.db2.gz UMPLOAPWJPEUOC-UHFFFAOYSA-N -1 3 343.372 0.820 20 50 ECGDHM Cc1ccn2ncc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)c2n1 ZINC000826308830 607717443 /nfs/dbraw/zinc/71/74/43/607717443.db2.gz RSNRVOOUXBIFHL-UHFFFAOYSA-N -1 3 335.331 0.975 20 50 ECGDHM Cc1ccn2ncc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)c2n1 ZINC000826308830 607717445 /nfs/dbraw/zinc/71/74/45/607717445.db2.gz RSNRVOOUXBIFHL-UHFFFAOYSA-N -1 3 335.331 0.975 20 50 ECGDHM O=C(NN=c1[nH]cccc1[N+](=O)[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000823285255 607054614 /nfs/dbraw/zinc/05/46/14/607054614.db2.gz OTLDSVMZDHZJAH-UHFFFAOYSA-N -1 3 326.276 0.927 20 50 ECGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCc2n[nH]cc2C1 ZINC000823280967 607109408 /nfs/dbraw/zinc/10/94/08/607109408.db2.gz KBOHNOMUBJWTTG-NSHDSACASA-N -1 3 339.363 0.773 20 50 ECGDHM C[C@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC000824039672 607893598 /nfs/dbraw/zinc/89/35/98/607893598.db2.gz GPNXEGQAXXBJPX-JTQLQIEISA-N -1 3 344.375 0.690 20 50 ECGDHM C[C@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC000824039672 607893599 /nfs/dbraw/zinc/89/35/99/607893599.db2.gz GPNXEGQAXXBJPX-JTQLQIEISA-N -1 3 344.375 0.690 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CO)C2CC2)cc(-c2nnn[n-]2)n1C ZINC000826235317 608174016 /nfs/dbraw/zinc/17/40/16/608174016.db2.gz HIOYTMOSECPDTN-YQJFHSMKSA-N -1 3 341.375 0.308 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CO)C2CC2)cc(-c2nn[n-]n2)n1C ZINC000826235317 608174018 /nfs/dbraw/zinc/17/40/18/608174018.db2.gz HIOYTMOSECPDTN-YQJFHSMKSA-N -1 3 341.375 0.308 20 50 ECGDHM CC1CCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824945453 608310631 /nfs/dbraw/zinc/31/06/31/608310631.db2.gz CSYBSLHVNJKRTQ-UHFFFAOYSA-N -1 3 329.364 0.953 20 50 ECGDHM CC1CCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824945453 608310632 /nfs/dbraw/zinc/31/06/32/608310632.db2.gz CSYBSLHVNJKRTQ-UHFFFAOYSA-N -1 3 329.364 0.953 20 50 ECGDHM CC(=NNC(=O)CN1CCCC1=O)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948206 609274720 /nfs/dbraw/zinc/27/47/20/609274720.db2.gz HGCJWNVGFREANT-UHFFFAOYSA-N -1 3 345.338 0.468 20 50 ECGDHM CC(=NNC(=O)CN1CCCC1=O)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948206 609274721 /nfs/dbraw/zinc/27/47/21/609274721.db2.gz HGCJWNVGFREANT-UHFFFAOYSA-N -1 3 345.338 0.468 20 50 ECGDHM CC(C)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NN(C)C(N)=O ZINC000824207374 609394135 /nfs/dbraw/zinc/39/41/35/609394135.db2.gz VHHCQCVCJXORTI-LLVKDONJSA-N -1 3 333.352 0.312 20 50 ECGDHM CC(C)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NN(C)C(N)=O ZINC000824207374 609394137 /nfs/dbraw/zinc/39/41/37/609394137.db2.gz VHHCQCVCJXORTI-LLVKDONJSA-N -1 3 333.352 0.312 20 50 ECGDHM O=C(CCOC[C@H]1CCCO1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826408022 607347222 /nfs/dbraw/zinc/34/72/22/607347222.db2.gz MVEJBKKSOBNNHO-CYBMUJFWSA-N -1 3 332.364 0.896 20 50 ECGDHM C[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)N1CCSCC1 ZINC000824039645 607569636 /nfs/dbraw/zinc/56/96/36/607569636.db2.gz GIIZZDRKHOMBQJ-SNVBAGLBSA-N -1 3 333.421 0.747 20 50 ECGDHM C[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)N1CCSCC1 ZINC000824039645 607569638 /nfs/dbraw/zinc/56/96/38/607569638.db2.gz GIIZZDRKHOMBQJ-SNVBAGLBSA-N -1 3 333.421 0.747 20 50 ECGDHM CC(=O)N1CCC[C@@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000823972714 607716513 /nfs/dbraw/zinc/71/65/13/607716513.db2.gz FQCZAIMMXIOMKG-GFCCVEGCSA-N -1 3 329.364 0.568 20 50 ECGDHM CC(=O)N1CCC[C@@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000823972714 607716514 /nfs/dbraw/zinc/71/65/14/607716514.db2.gz FQCZAIMMXIOMKG-GFCCVEGCSA-N -1 3 329.364 0.568 20 50 ECGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000826447809 607726249 /nfs/dbraw/zinc/72/62/49/607726249.db2.gz XAFJAZWMBPIKSX-SNVBAGLBSA-N -1 3 327.348 0.321 20 50 ECGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000826447809 607726250 /nfs/dbraw/zinc/72/62/50/607726250.db2.gz XAFJAZWMBPIKSX-SNVBAGLBSA-N -1 3 327.348 0.321 20 50 ECGDHM CCC(=O)N1CCC[C@@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000825034959 607729201 /nfs/dbraw/zinc/72/92/01/607729201.db2.gz UYMPXKQNJPAHLH-GFCCVEGCSA-N -1 3 343.391 0.958 20 50 ECGDHM CCC(=O)N1CCC[C@@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000825034959 607729202 /nfs/dbraw/zinc/72/92/02/607729202.db2.gz UYMPXKQNJPAHLH-GFCCVEGCSA-N -1 3 343.391 0.958 20 50 ECGDHM O=Cc1cc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000823551111 606660123 /nfs/dbraw/zinc/66/01/23/606660123.db2.gz FOOOHMSKLZSHEE-UHFFFAOYSA-N -1 3 342.340 0.816 20 50 ECGDHM O=Cc1cc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000823551111 606660124 /nfs/dbraw/zinc/66/01/24/606660124.db2.gz FOOOHMSKLZSHEE-UHFFFAOYSA-N -1 3 342.340 0.816 20 50 ECGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)NOC1CCCC1 ZINC000826445000 608411096 /nfs/dbraw/zinc/41/10/96/608411096.db2.gz CFVAZQRFRZJLQC-UHFFFAOYSA-N -1 3 331.336 0.685 20 50 ECGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)NOC1CCCC1 ZINC000826445000 608411097 /nfs/dbraw/zinc/41/10/97/608411097.db2.gz CFVAZQRFRZJLQC-UHFFFAOYSA-N -1 3 331.336 0.685 20 50 ECGDHM CO[C@@H]1CCCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000826145763 608759943 /nfs/dbraw/zinc/75/99/43/608759943.db2.gz LUORBWCVNUYVSF-GFCCVEGCSA-N -1 3 345.363 0.332 20 50 ECGDHM CO[C@@H]1CCCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000826145763 608759945 /nfs/dbraw/zinc/75/99/45/608759945.db2.gz LUORBWCVNUYVSF-GFCCVEGCSA-N -1 3 345.363 0.332 20 50 ECGDHM CC(=NNC(=O)C(=O)N1CCCC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823942767 609158248 /nfs/dbraw/zinc/15/82/48/609158248.db2.gz JHCQSUBMVKYQTL-UHFFFAOYSA-N -1 3 345.338 0.468 20 50 ECGDHM CC(=NNC(=O)C(=O)N1CCCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823942767 609158249 /nfs/dbraw/zinc/15/82/49/609158249.db2.gz JHCQSUBMVKYQTL-UHFFFAOYSA-N -1 3 345.338 0.468 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)NCCOC(N)=O)cc(-c2nnn[n-]2)n1C ZINC000826235995 609295084 /nfs/dbraw/zinc/29/50/84/609295084.db2.gz WHMMZZADKVPYTG-YHYXMXQVSA-N -1 3 344.335 0.046 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)NCCOC(N)=O)cc(-c2nn[n-]n2)n1C ZINC000826235995 609295086 /nfs/dbraw/zinc/29/50/86/609295086.db2.gz WHMMZZADKVPYTG-YHYXMXQVSA-N -1 3 344.335 0.046 20 50 ECGDHM O=C(NNC(=O)C1CCC(=O)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000823525799 599700333 /nfs/dbraw/zinc/70/03/33/599700333.db2.gz UCDOQEHPAARAHD-UHFFFAOYSA-N -1 3 328.332 0.387 20 50 ECGDHM O=C(NNC(=O)C1CCC(=O)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000823525799 599700334 /nfs/dbraw/zinc/70/03/34/599700334.db2.gz UCDOQEHPAARAHD-UHFFFAOYSA-N -1 3 328.332 0.387 20 50 ECGDHM O=C(NNC(=O)c1cccc2ncccc21)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826444981 607728734 /nfs/dbraw/zinc/72/87/34/607728734.db2.gz BLDUQDGOBLYCOF-UHFFFAOYSA-N -1 3 348.326 0.818 20 50 ECGDHM O=C(NNC(=O)c1cccc2ncccc21)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826444981 607728736 /nfs/dbraw/zinc/72/87/36/607728736.db2.gz BLDUQDGOBLYCOF-UHFFFAOYSA-N -1 3 348.326 0.818 20 50 ECGDHM O=C(NNC(=S)NCc1ccon1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277624 606979637 /nfs/dbraw/zinc/97/96/37/606979637.db2.gz SEUJAVXYWBSNIH-UHFFFAOYSA-N -1 3 344.360 0.164 20 50 ECGDHM O=C(NNC(=S)NCc1ccon1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277624 606979639 /nfs/dbraw/zinc/97/96/39/606979639.db2.gz SEUJAVXYWBSNIH-UHFFFAOYSA-N -1 3 344.360 0.164 20 50 ECGDHM O=C(NNC(=S)NCc1ccon1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277542 606979657 /nfs/dbraw/zinc/97/96/57/606979657.db2.gz PFNHLNCJPZPVCF-UHFFFAOYSA-N -1 3 344.360 0.164 20 50 ECGDHM O=C(NNC(=S)NCc1ccon1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277542 606979659 /nfs/dbraw/zinc/97/96/59/606979659.db2.gz PFNHLNCJPZPVCF-UHFFFAOYSA-N -1 3 344.360 0.164 20 50 ECGDHM CC(=NNC(=O)COc1ccccc1-c1nnn[n-]1)c1nccn1C ZINC000823948092 607882538 /nfs/dbraw/zinc/88/25/38/607882538.db2.gz CTPHQOFLVVJVKF-UHFFFAOYSA-N -1 3 340.347 0.519 20 50 ECGDHM CC(=NNC(=O)COc1ccccc1-c1nn[n-]n1)c1nccn1C ZINC000823948092 607882539 /nfs/dbraw/zinc/88/25/39/607882539.db2.gz CTPHQOFLVVJVKF-UHFFFAOYSA-N -1 3 340.347 0.519 20 50 ECGDHM CCCC[C@H](NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)OC ZINC000825265877 608098644 /nfs/dbraw/zinc/09/86/44/608098644.db2.gz CEUYIDQXVGPGOB-LBPRGKRZSA-N -1 3 332.364 0.833 20 50 ECGDHM CCCC[C@H](NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)OC ZINC000825265877 608098645 /nfs/dbraw/zinc/09/86/45/608098645.db2.gz CEUYIDQXVGPGOB-LBPRGKRZSA-N -1 3 332.364 0.833 20 50 ECGDHM C[C@@H]1CCC[C@H]1C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824925252 608133020 /nfs/dbraw/zinc/13/30/20/608133020.db2.gz CEHSNQBSQABFAU-ZWNOBZJWSA-N -1 3 344.375 0.829 20 50 ECGDHM C[C@H]1CCCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824938982 608319752 /nfs/dbraw/zinc/31/97/52/608319752.db2.gz XDEJMALIOLDAAI-JTQLQIEISA-N -1 3 329.364 0.953 20 50 ECGDHM C[C@H]1CCCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824938982 608319753 /nfs/dbraw/zinc/31/97/53/608319753.db2.gz XDEJMALIOLDAAI-JTQLQIEISA-N -1 3 329.364 0.953 20 50 ECGDHM CCNC(=O)N(C)NC(=O)[C@@H](C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000825471601 609166347 /nfs/dbraw/zinc/16/63/47/609166347.db2.gz YIRRRVTWXBAZMV-SECBINFHSA-N -1 3 333.352 0.327 20 50 ECGDHM COC1(C)CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000826143868 609261282 /nfs/dbraw/zinc/26/12/82/609261282.db2.gz SXSMUONXPGYXBM-LFYBBSHMSA-N -1 3 341.375 0.668 20 50 ECGDHM COC1(C)CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000826143868 609261283 /nfs/dbraw/zinc/26/12/83/609261283.db2.gz SXSMUONXPGYXBM-LFYBBSHMSA-N -1 3 341.375 0.668 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N2CC(F)(F)C2)cc(-c2nnn[n-]2)n1C ZINC000826235903 609267644 /nfs/dbraw/zinc/26/76/44/609267644.db2.gz UHUOPHUKQGIIDY-XCVCLJGOSA-N -1 3 333.302 0.898 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N2CC(F)(F)C2)cc(-c2nn[n-]n2)n1C ZINC000826235903 609267645 /nfs/dbraw/zinc/26/76/45/609267645.db2.gz UHUOPHUKQGIIDY-XCVCLJGOSA-N -1 3 333.302 0.898 20 50 ECGDHM C[C@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1F ZINC000824950224 609443554 /nfs/dbraw/zinc/44/35/54/609443554.db2.gz ZYCMMBMPQXNWJN-CABZTGNLSA-N -1 3 347.354 0.901 20 50 ECGDHM C[C@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1F ZINC000824950224 609443556 /nfs/dbraw/zinc/44/35/56/609443556.db2.gz ZYCMMBMPQXNWJN-CABZTGNLSA-N -1 3 347.354 0.901 20 50 ECGDHM O=C(CNC(=O)c1cccnc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826412455 607348543 /nfs/dbraw/zinc/34/85/43/607348543.db2.gz OMDSPTLTJROVNN-UHFFFAOYSA-N -1 3 338.331 0.135 20 50 ECGDHM Cc1occc1C(=O)NCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826342733 607463607 /nfs/dbraw/zinc/46/36/07/607463607.db2.gz XNHIWIBSCOCJOE-UHFFFAOYSA-N -1 3 341.331 0.641 20 50 ECGDHM Cc1occc1C(=O)NCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826342733 607463608 /nfs/dbraw/zinc/46/36/08/607463608.db2.gz XNHIWIBSCOCJOE-UHFFFAOYSA-N -1 3 341.331 0.641 20 50 ECGDHM O=C(NNc1c(F)c(F)nc(F)c1F)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823281372 606313264 /nfs/dbraw/zinc/31/32/64/606313264.db2.gz RLQUPRZACGJQAU-UHFFFAOYSA-N -1 3 342.216 0.903 20 50 ECGDHM O=C(NNc1c(F)c(F)nc(F)c1F)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823281372 606313266 /nfs/dbraw/zinc/31/32/66/606313266.db2.gz RLQUPRZACGJQAU-UHFFFAOYSA-N -1 3 342.216 0.903 20 50 ECGDHM CC(=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1nccn1C ZINC000823948462 607881765 /nfs/dbraw/zinc/88/17/65/607881765.db2.gz NYNGEDPXPBUJQI-UHFFFAOYSA-N -1 3 340.347 0.519 20 50 ECGDHM O=C(NN=Cc1cnc2ncccn12)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444357 607888002 /nfs/dbraw/zinc/88/80/02/607888002.db2.gz BYHCCDBHBYEWRT-UHFFFAOYSA-N -1 3 333.315 0.673 20 50 ECGDHM O=C(NN=Cc1cnc2ncccn12)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444357 607888003 /nfs/dbraw/zinc/88/80/03/607888003.db2.gz BYHCCDBHBYEWRT-UHFFFAOYSA-N -1 3 333.315 0.673 20 50 ECGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc[nH]1 ZINC000824497983 608022337 /nfs/dbraw/zinc/02/23/37/608022337.db2.gz BFVJUWKFGHHEOL-VIFPVBQESA-N -1 3 340.347 0.900 20 50 ECGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc[nH]1 ZINC000824497983 608022338 /nfs/dbraw/zinc/02/23/38/608022338.db2.gz BFVJUWKFGHHEOL-VIFPVBQESA-N -1 3 340.347 0.900 20 50 ECGDHM Cc1c(NC(=O)C(=O)NNc2ccccn2)cccc1-c1nnn[n-]1 ZINC000826240789 608140998 /nfs/dbraw/zinc/14/09/98/608140998.db2.gz HJXMKNRSWCXRIN-UHFFFAOYSA-N -1 3 338.331 0.652 20 50 ECGDHM Cc1c(NC(=O)C(=O)NNc2ccccn2)cccc1-c1nn[n-]n1 ZINC000826240789 608140999 /nfs/dbraw/zinc/14/09/99/608140999.db2.gz HJXMKNRSWCXRIN-UHFFFAOYSA-N -1 3 338.331 0.652 20 50 ECGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=CC[C@H]1CCOC1 ZINC000826419326 608227567 /nfs/dbraw/zinc/22/75/67/608227567.db2.gz SHCINTFGAJKTSM-NSHDSACASA-N -1 3 330.348 0.774 20 50 ECGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=CC[C@H]1CCOC1 ZINC000826419326 608227568 /nfs/dbraw/zinc/22/75/68/608227568.db2.gz SHCINTFGAJKTSM-NSHDSACASA-N -1 3 330.348 0.774 20 50 ECGDHM CCOCCN(C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825595061 608278658 /nfs/dbraw/zinc/27/86/58/608278658.db2.gz VZNGQLLTPICJKP-JYRVWZFOSA-N -1 3 343.391 0.916 20 50 ECGDHM CCOCCN(C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825595061 608278659 /nfs/dbraw/zinc/27/86/59/608278659.db2.gz VZNGQLLTPICJKP-JYRVWZFOSA-N -1 3 343.391 0.916 20 50 ECGDHM C[C@H]1CC(=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824857479 608289869 /nfs/dbraw/zinc/28/98/69/608289869.db2.gz CODDTXMHRHJDEL-JTQLQIEISA-N -1 3 330.348 0.917 20 50 ECGDHM N#Cc1cccc(NNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826387277 609254320 /nfs/dbraw/zinc/25/43/20/609254320.db2.gz NISKQYNHMXSVRO-CQSZACIVSA-N -1 3 335.327 0.915 20 50 ECGDHM N#Cc1cccc(NNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826387277 609254322 /nfs/dbraw/zinc/25/43/22/609254322.db2.gz NISKQYNHMXSVRO-CQSZACIVSA-N -1 3 335.327 0.915 20 50 ECGDHM N#Cc1ccc([C@H](O)C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826384577 609254521 /nfs/dbraw/zinc/25/45/21/609254521.db2.gz AZTKCSSAMRSTEQ-AWEZNQCLSA-N -1 3 335.327 0.915 20 50 ECGDHM COCCC[C@H](C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826155394 609316441 /nfs/dbraw/zinc/31/64/41/609316441.db2.gz OPVOGPQGZQJJBL-JTQLQIEISA-N -1 3 332.364 0.690 20 50 ECGDHM COCCC[C@H](C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826155394 609316443 /nfs/dbraw/zinc/31/64/43/609316443.db2.gz OPVOGPQGZQJJBL-JTQLQIEISA-N -1 3 332.364 0.690 20 50 ECGDHM N#CC1=CCN(CCS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826380720 609474778 /nfs/dbraw/zinc/47/47/78/609474778.db2.gz KKTHYEARWNYTJW-UHFFFAOYSA-N -1 3 344.400 0.796 20 50 ECGDHM N#CC1=CCN(CCS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826380720 609474779 /nfs/dbraw/zinc/47/47/79/609474779.db2.gz KKTHYEARWNYTJW-UHFFFAOYSA-N -1 3 344.400 0.796 20 50 ECGDHM CC[C@H](C)OCC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825075599 607682605 /nfs/dbraw/zinc/68/26/05/607682605.db2.gz QMGBRVCRLWAPPQ-JTQLQIEISA-N -1 3 348.363 0.208 20 50 ECGDHM O=C(NN=c1[nH]cccc1[N+](=O)[O-])c1ccc(-c2nnn[n-]2)cn1 ZINC000823285311 607054802 /nfs/dbraw/zinc/05/48/02/607054802.db2.gz QMLVRHNAXLJPCO-UHFFFAOYSA-N -1 3 327.264 0.322 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000826235576 607774675 /nfs/dbraw/zinc/77/46/75/607774675.db2.gz MFRFNPHGBXOWRT-QJGQKNTRSA-N -1 3 327.348 0.326 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000826235576 607774676 /nfs/dbraw/zinc/77/46/76/607774676.db2.gz MFRFNPHGBXOWRT-QJGQKNTRSA-N -1 3 327.348 0.326 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)NCC(=O)C2CC2)cc(-c2nnn[n-]2)n1C ZINC000826235444 608213799 /nfs/dbraw/zinc/21/37/99/608213799.db2.gz KCRADHMNPWGHHE-LFYBBSHMSA-N -1 3 339.359 0.516 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)NCC(=O)C2CC2)cc(-c2nn[n-]n2)n1C ZINC000826235444 608213801 /nfs/dbraw/zinc/21/38/01/608213801.db2.gz KCRADHMNPWGHHE-LFYBBSHMSA-N -1 3 339.359 0.516 20 50 ECGDHM O=C(NCCc1cnccn1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826439702 608537313 /nfs/dbraw/zinc/53/73/13/608537313.db2.gz GMNIPVLJXQOYLE-UHFFFAOYSA-N -1 3 325.336 0.526 20 50 ECGDHM O=C(NCCc1cnccn1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826439702 608537314 /nfs/dbraw/zinc/53/73/14/608537314.db2.gz GMNIPVLJXQOYLE-UHFFFAOYSA-N -1 3 325.336 0.526 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N2C[C@H](O)[C@@H](C)C2)cc(-c2nnn[n-]2)n1C ZINC000826235615 608636840 /nfs/dbraw/zinc/63/68/40/608636840.db2.gz NGKYROUFBSEGJN-HGCDATJGSA-N -1 3 341.375 0.260 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N2C[C@H](O)[C@@H](C)C2)cc(-c2nn[n-]n2)n1C ZINC000826235615 608636841 /nfs/dbraw/zinc/63/68/41/608636841.db2.gz NGKYROUFBSEGJN-HGCDATJGSA-N -1 3 341.375 0.260 20 50 ECGDHM CC(=NNC(=O)C(=O)NC(C)C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823943106 609158566 /nfs/dbraw/zinc/15/85/66/609158566.db2.gz NFVHYMDFQMHCGK-UHFFFAOYSA-N -1 3 333.327 0.371 20 50 ECGDHM CC(=NNC(=O)C(=O)NC(C)C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823943106 609158567 /nfs/dbraw/zinc/15/85/67/609158567.db2.gz NFVHYMDFQMHCGK-UHFFFAOYSA-N -1 3 333.327 0.371 20 50 ECGDHM O=C(NNC(=O)C1CCCC1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444355 609197079 /nfs/dbraw/zinc/19/70/79/609197079.db2.gz BYDMDPZBNYUJQV-GFCCVEGCSA-N -1 3 330.348 0.238 20 50 ECGDHM O=C(NNC(=O)C1CCCC1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444355 609197081 /nfs/dbraw/zinc/19/70/81/609197081.db2.gz BYDMDPZBNYUJQV-GFCCVEGCSA-N -1 3 330.348 0.238 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)NC2=NO[C@@H](C)C2)cc(-c2nn[n-]n2)n1C ZINC000826236086 609261467 /nfs/dbraw/zinc/26/14/67/609261467.db2.gz YCQFAUALYKEVBW-SDZLHINSSA-N -1 3 340.347 0.659 20 50 ECGDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NNc1ccnc(F)c1 ZINC000826413282 609299792 /nfs/dbraw/zinc/29/97/92/609299792.db2.gz YUNFEXGUUXJWIN-UHFFFAOYSA-N -1 3 328.311 0.956 20 50 ECGDHM COCCC[C@H](C)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826155548 609316118 /nfs/dbraw/zinc/31/61/18/609316118.db2.gz UILOOTCOMDKRTD-JTQLQIEISA-N -1 3 332.364 0.690 20 50 ECGDHM COCCC[C@H](C)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826155548 609316120 /nfs/dbraw/zinc/31/61/20/609316120.db2.gz UILOOTCOMDKRTD-JTQLQIEISA-N -1 3 332.364 0.690 20 50 ECGDHM O=C(CCn1ccccc1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826410028 607344733 /nfs/dbraw/zinc/34/47/33/607344733.db2.gz YSTUCWFELWDXAH-UHFFFAOYSA-N -1 3 325.332 0.562 20 50 ECGDHM CC(=O)N1CC[C@@](C)(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000823975175 607347669 /nfs/dbraw/zinc/34/76/69/607347669.db2.gz VKTLUSDNQXXYFW-OAHLLOKOSA-N -1 3 329.364 0.568 20 50 ECGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C1(C(=O)NC2CC2)CC1 ZINC000826446423 607349769 /nfs/dbraw/zinc/34/97/69/607349769.db2.gz KTTHHGBJRVUSOE-UHFFFAOYSA-N -1 3 327.348 0.369 20 50 ECGDHM CCCC[C@H](NC(N)=O)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825268377 607356261 /nfs/dbraw/zinc/35/62/61/607356261.db2.gz UIOMDWKHQYDQDY-NSHDSACASA-N -1 3 332.368 0.537 20 50 ECGDHM Cc1nnc2n1C[C@H](C(=O)NNc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826337389 607569203 /nfs/dbraw/zinc/56/92/03/607569203.db2.gz MZZOCLTYXRYKMY-LLVKDONJSA-N -1 3 339.363 0.472 20 50 ECGDHM Cc1nnc2n1C[C@H](C(=O)NNc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826337389 607569205 /nfs/dbraw/zinc/56/92/05/607569205.db2.gz MZZOCLTYXRYKMY-LLVKDONJSA-N -1 3 339.363 0.472 20 50 ECGDHM O=C(NNC(=O)c1ccc(Cl)nc1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826444973 607700164 /nfs/dbraw/zinc/70/01/64/607700164.db2.gz BGNOKANTDIZZFG-UHFFFAOYSA-N -1 3 332.711 0.318 20 50 ECGDHM COCC(=O)N[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000826147673 607717228 /nfs/dbraw/zinc/71/72/28/607717228.db2.gz HPIDFXUEORSWCY-ZDUSSCGKSA-N -1 3 347.379 0.097 20 50 ECGDHM COCC(=O)N[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000826147673 607717230 /nfs/dbraw/zinc/71/72/30/607717230.db2.gz HPIDFXUEORSWCY-ZDUSSCGKSA-N -1 3 347.379 0.097 20 50 ECGDHM CC(C)[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)N1CCCC1=O ZINC000824184285 607732217 /nfs/dbraw/zinc/73/22/17/607732217.db2.gz FEWBFECHYPGQTF-AWEZNQCLSA-N -1 3 343.391 0.957 20 50 ECGDHM CC(C)[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)N1CCCC1=O ZINC000824184285 607732219 /nfs/dbraw/zinc/73/22/19/607732219.db2.gz FEWBFECHYPGQTF-AWEZNQCLSA-N -1 3 343.391 0.957 20 50 ECGDHM CC1=C(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCCO1 ZINC000824852636 607894083 /nfs/dbraw/zinc/89/40/83/607894083.db2.gz OUDYYGHXJORWJH-UHFFFAOYSA-N -1 3 328.332 0.712 20 50 ECGDHM CC1=C(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCCO1 ZINC000824852636 607894084 /nfs/dbraw/zinc/89/40/84/607894084.db2.gz OUDYYGHXJORWJH-UHFFFAOYSA-N -1 3 328.332 0.712 20 50 ECGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cn[nH]c1 ZINC000824498346 607939880 /nfs/dbraw/zinc/93/98/80/607939880.db2.gz FKDFMVHOVTVBNW-MRVPVSSYSA-N -1 3 341.335 0.295 20 50 ECGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cn[nH]c1 ZINC000824498346 607939879 /nfs/dbraw/zinc/93/98/79/607939879.db2.gz FKDFMVHOVTVBNW-MRVPVSSYSA-N -1 3 341.335 0.295 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@@H]2C)cc(-c2nnn[n-]2)n1C ZINC000826235373 608206845 /nfs/dbraw/zinc/20/68/45/608206845.db2.gz IOVSJSARDSZIIZ-PMLKFVNJSA-N -1 3 341.375 0.714 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCO[C@@H]2C)cc(-c2nn[n-]n2)n1C ZINC000826235373 608206847 /nfs/dbraw/zinc/20/68/47/608206847.db2.gz IOVSJSARDSZIIZ-PMLKFVNJSA-N -1 3 341.375 0.714 20 50 ECGDHM COCc1cc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)ncn1 ZINC000826164240 608268373 /nfs/dbraw/zinc/26/83/73/608268373.db2.gz KLTSWZZCIAYIAP-UHFFFAOYSA-N -1 3 341.335 0.952 20 50 ECGDHM COCc1cc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)ncn1 ZINC000826164240 608268374 /nfs/dbraw/zinc/26/83/74/608268374.db2.gz KLTSWZZCIAYIAP-UHFFFAOYSA-N -1 3 341.335 0.952 20 50 ECGDHM CCCCNC(=O)NNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825290970 609212896 /nfs/dbraw/zinc/21/28/96/609212896.db2.gz KVZKNQUZRQCSPU-LLVKDONJSA-N -1 3 333.352 0.031 20 50 ECGDHM CCCCNC(=O)NNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825290970 609212898 /nfs/dbraw/zinc/21/28/98/609212898.db2.gz KVZKNQUZRQCSPU-LLVKDONJSA-N -1 3 333.352 0.031 20 50 ECGDHM N#Cc1cccc(NNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826387276 609254054 /nfs/dbraw/zinc/25/40/54/609254054.db2.gz NISKQYNHMXSVRO-AWEZNQCLSA-N -1 3 335.327 0.915 20 50 ECGDHM N#Cc1cccc(NNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826387276 609254055 /nfs/dbraw/zinc/25/40/55/609254055.db2.gz NISKQYNHMXSVRO-AWEZNQCLSA-N -1 3 335.327 0.915 20 50 ECGDHM COCC(=O)NN=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826148011 609305764 /nfs/dbraw/zinc/30/57/64/609305764.db2.gz VFBNLNLKYLFRRT-UHFFFAOYSA-N -1 3 340.347 0.364 20 50 ECGDHM COCC(=O)NN=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826148011 609305766 /nfs/dbraw/zinc/30/57/66/609305766.db2.gz VFBNLNLKYLFRRT-UHFFFAOYSA-N -1 3 340.347 0.364 20 50 ECGDHM COC1(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000826143800 609601489 /nfs/dbraw/zinc/60/14/89/609601489.db2.gz PYXZIKWGRIHFDQ-UHFFFAOYSA-N -1 3 345.363 0.380 20 50 ECGDHM COC1(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000826143800 609601491 /nfs/dbraw/zinc/60/14/91/609601491.db2.gz PYXZIKWGRIHFDQ-UHFFFAOYSA-N -1 3 345.363 0.380 20 50 ECGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000826446254 607349719 /nfs/dbraw/zinc/34/97/19/607349719.db2.gz FNOOCFYZBVOIKT-JTQLQIEISA-N -1 3 327.348 0.321 20 50 ECGDHM CC(=O)N1CCC(C(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000823974561 607714727 /nfs/dbraw/zinc/71/47/27/607714727.db2.gz QNIDQFVAEMPPMB-UHFFFAOYSA-N -1 3 329.364 0.568 20 50 ECGDHM CC(=O)N1CCC(C(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000823974561 607714730 /nfs/dbraw/zinc/71/47/30/607714730.db2.gz QNIDQFVAEMPPMB-UHFFFAOYSA-N -1 3 329.364 0.568 20 50 ECGDHM O=C([O-])NCC(=O)NNC(=O)N[C@H](CN1CCCC1)c1ccccc1 ZINC000834201669 605504432 /nfs/dbraw/zinc/50/44/32/605504432.db2.gz IZSJWSHYNMVNPV-CYBMUJFWSA-N -1 3 349.391 0.422 20 50 ECGDHM O=Cc1ccc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)[nH]1 ZINC000823558030 606631236 /nfs/dbraw/zinc/63/12/36/606631236.db2.gz ZTQZJJKLHRGPCS-UHFFFAOYSA-N -1 3 325.288 0.082 20 50 ECGDHM O=Cc1ccc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)[nH]1 ZINC000823558030 606631237 /nfs/dbraw/zinc/63/12/37/606631237.db2.gz ZTQZJJKLHRGPCS-UHFFFAOYSA-N -1 3 325.288 0.082 20 50 ECGDHM O=C(NN=c1nc[nH]c2ccsc21)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823284348 607097606 /nfs/dbraw/zinc/09/76/06/607097606.db2.gz FJSQRXPCZOTINY-UHFFFAOYSA-N -1 3 327.333 0.956 20 50 ECGDHM O=C(NN=c1nc[nH]c2ccsc21)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823284348 607097607 /nfs/dbraw/zinc/09/76/07/607097607.db2.gz FJSQRXPCZOTINY-UHFFFAOYSA-N -1 3 327.333 0.956 20 50 ECGDHM C=CCCOCCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823899392 607939568 /nfs/dbraw/zinc/93/95/68/607939568.db2.gz VIYGYTIYBRNIFK-UHFFFAOYSA-N -1 3 345.363 0.403 20 50 ECGDHM C=CCCOCCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823899392 607939569 /nfs/dbraw/zinc/93/95/69/607939569.db2.gz VIYGYTIYBRNIFK-UHFFFAOYSA-N -1 3 345.363 0.403 20 50 ECGDHM Cc1nn(C)c(=O)c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1C ZINC000826332958 608202970 /nfs/dbraw/zinc/20/29/70/608202970.db2.gz OFPZCLQUVACFGX-UHFFFAOYSA-N -1 3 340.347 0.334 20 50 ECGDHM Cc1nn(C)c(=O)c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1C ZINC000826332958 608202972 /nfs/dbraw/zinc/20/29/72/608202972.db2.gz OFPZCLQUVACFGX-UHFFFAOYSA-N -1 3 340.347 0.334 20 50 ECGDHM C[C@@]1(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCCOC1 ZINC000824783196 609281512 /nfs/dbraw/zinc/28/15/12/609281512.db2.gz DSPNXWABCQBGKH-OAHLLOKOSA-N -1 3 330.348 0.444 20 50 ECGDHM C[C@@]1(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCCOC1 ZINC000824783196 609281514 /nfs/dbraw/zinc/28/15/14/609281514.db2.gz DSPNXWABCQBGKH-OAHLLOKOSA-N -1 3 330.348 0.444 20 50 ECGDHM COCCC[C@@H](C)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826155549 609316459 /nfs/dbraw/zinc/31/64/59/609316459.db2.gz UILOOTCOMDKRTD-SNVBAGLBSA-N -1 3 332.364 0.690 20 50 ECGDHM COCCC[C@@H](C)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826155549 609316462 /nfs/dbraw/zinc/31/64/62/609316462.db2.gz UILOOTCOMDKRTD-SNVBAGLBSA-N -1 3 332.364 0.690 20 50 ECGDHM COC(=O)CNC(=O)NN=C(C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826138287 609523773 /nfs/dbraw/zinc/52/37/73/609523773.db2.gz OAIAIVSCQLQNME-UHFFFAOYSA-N -1 3 335.299 0.202 20 50 ECGDHM COC(=O)CNC(=O)NN=C(C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826138287 609523774 /nfs/dbraw/zinc/52/37/74/609523774.db2.gz OAIAIVSCQLQNME-UHFFFAOYSA-N -1 3 335.299 0.202 20 50 ECGDHM COc1ccc(CNC(=O)NNc2cccnn2)cc1-c1nn[n-]n1 ZINC000826200436 607573868 /nfs/dbraw/zinc/57/38/68/607573868.db2.gz PNZQXMGZVYZNAN-UHFFFAOYSA-N -1 3 341.335 0.492 20 50 ECGDHM O=C(COc1ccc(F)cc1)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826418241 607683663 /nfs/dbraw/zinc/68/36/63/607683663.db2.gz WVYGUPHCDQHZCW-UHFFFAOYSA-N -1 3 345.294 0.174 20 50 ECGDHM O=C(COc1ccc(F)cc1)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826418241 607683665 /nfs/dbraw/zinc/68/36/65/607683665.db2.gz WVYGUPHCDQHZCW-UHFFFAOYSA-N -1 3 345.294 0.174 20 50 ECGDHM CC(=O)N1CSC[C@@H]1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823989266 607712880 /nfs/dbraw/zinc/71/28/80/607712880.db2.gz RMVDVVMKBFDSLV-LLVKDONJSA-N -1 3 333.377 0.231 20 50 ECGDHM CC(=O)N1CSC[C@@H]1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823989266 607712883 /nfs/dbraw/zinc/71/28/83/607712883.db2.gz RMVDVVMKBFDSLV-LLVKDONJSA-N -1 3 333.377 0.231 20 50 ECGDHM O=C(CSc1nncs1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826421713 607721246 /nfs/dbraw/zinc/72/12/46/607721246.db2.gz VUAVRBKGISZQSK-UHFFFAOYSA-N -1 3 334.390 0.954 20 50 ECGDHM O=C(CSc1nncs1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826421713 607721247 /nfs/dbraw/zinc/72/12/47/607721247.db2.gz VUAVRBKGISZQSK-UHFFFAOYSA-N -1 3 334.390 0.954 20 50 ECGDHM CCCN(CC(=O)NNC(=O)C1CC1)C1CCN(C(=O)[O-])CC1 ZINC000826897914 605480728 /nfs/dbraw/zinc/48/07/28/605480728.db2.gz PRZGHCJAETWNID-UHFFFAOYSA-N -1 3 326.397 0.398 20 50 ECGDHM COC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826104357 608104067 /nfs/dbraw/zinc/10/40/67/608104067.db2.gz VGHHTHGATZEPLB-WUFUFFIZSA-N -1 3 344.331 0.525 20 50 ECGDHM COC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826104357 608104068 /nfs/dbraw/zinc/10/40/68/608104068.db2.gz VGHHTHGATZEPLB-WUFUFFIZSA-N -1 3 344.331 0.525 20 50 ECGDHM COC[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826163629 608826024 /nfs/dbraw/zinc/82/60/24/608826024.db2.gz CYNACDNREQKLQI-JOZRWXFHSA-N -1 3 329.364 0.572 20 50 ECGDHM COC[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826163629 608826027 /nfs/dbraw/zinc/82/60/27/608826027.db2.gz CYNACDNREQKLQI-JOZRWXFHSA-N -1 3 329.364 0.572 20 50 ECGDHM COc1cccc(=NNC(=O)Nc2nn(C)cc2-c2nnn[n-]2)[nH]1 ZINC000826216963 609158829 /nfs/dbraw/zinc/15/88/29/609158829.db2.gz TYAPZKJEPCMCBA-UHFFFAOYSA-N -1 3 330.312 0.152 20 50 ECGDHM CCNC(=O)NN=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825476348 609304224 /nfs/dbraw/zinc/30/42/24/609304224.db2.gz HEWJMUCSJZZAOY-UHFFFAOYSA-N -1 3 339.363 0.920 20 50 ECGDHM CCNC(=O)NN=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825476348 609304226 /nfs/dbraw/zinc/30/42/26/609304226.db2.gz HEWJMUCSJZZAOY-UHFFFAOYSA-N -1 3 339.363 0.920 20 50 ECGDHM CC(C)(C)N1C[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CC1=O ZINC000824094585 607343705 /nfs/dbraw/zinc/34/37/05/607343705.db2.gz ZAWFVKOEBHTNJM-NSHDSACASA-N -1 3 343.391 0.957 20 50 ECGDHM Cn1nnnc1SCCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826367005 607353052 /nfs/dbraw/zinc/35/30/52/607353052.db2.gz HMOZLIGFLDUPRG-UHFFFAOYSA-N -1 3 346.380 0.016 20 50 ECGDHM CCC(=O)N1CC[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000825034578 607354981 /nfs/dbraw/zinc/35/49/81/607354981.db2.gz MDPYJFMXODHMKQ-NSHDSACASA-N -1 3 329.364 0.568 20 50 ECGDHM COC[C@@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826151252 607537722 /nfs/dbraw/zinc/53/77/22/607537722.db2.gz XLIIOXYTUKZMHU-GFCCVEGCSA-N -1 3 345.363 0.236 20 50 ECGDHM COC[C@@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000826151252 607537723 /nfs/dbraw/zinc/53/77/23/607537723.db2.gz XLIIOXYTUKZMHU-GFCCVEGCSA-N -1 3 345.363 0.236 20 50 ECGDHM Cc1c(C=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cnn1C ZINC000826235337 607881892 /nfs/dbraw/zinc/88/18/92/607881892.db2.gz HUKBXLQWMAIJQV-UHFFFAOYSA-N -1 3 340.347 0.438 20 50 ECGDHM CC[C@H](CCO)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825115240 607907597 /nfs/dbraw/zinc/90/75/97/607907597.db2.gz VSQFENPROBMYCW-BWODNOAJSA-N -1 3 343.391 0.698 20 50 ECGDHM CC[C@H](CCO)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825115240 607907598 /nfs/dbraw/zinc/90/75/98/607907598.db2.gz VSQFENPROBMYCW-BWODNOAJSA-N -1 3 343.391 0.698 20 50 ECGDHM Cc1ccc(NCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826291840 608109636 /nfs/dbraw/zinc/10/96/36/608109636.db2.gz YFWAXTVJULVCOM-UHFFFAOYSA-N -1 3 340.347 0.376 20 50 ECGDHM Cc1ccc(NCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826291840 608109637 /nfs/dbraw/zinc/10/96/37/608109637.db2.gz YFWAXTVJULVCOM-UHFFFAOYSA-N -1 3 340.347 0.376 20 50 ECGDHM Cn1cc(-c2nnn[n-]2)c(NC(=O)NNc2ccc(Cl)nn2)n1 ZINC000826356962 608814749 /nfs/dbraw/zinc/81/47/49/608814749.db2.gz MGYDGPQZDUICFF-UHFFFAOYSA-N -1 3 335.719 0.192 20 50 ECGDHM COc1cccc(NNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826216649 609174025 /nfs/dbraw/zinc/17/40/25/609174025.db2.gz IJOMHSORPWIQNE-UHFFFAOYSA-N -1 3 340.347 0.826 20 50 ECGDHM CS(=O)(=O)c1ccc(NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826224170 609228204 /nfs/dbraw/zinc/22/82/04/609228204.db2.gz RZPUYEINEAQSRC-UHFFFAOYSA-N -1 3 347.360 0.355 20 50 ECGDHM CS(=O)(=O)c1ccc(NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826224170 609228205 /nfs/dbraw/zinc/22/82/05/609228205.db2.gz RZPUYEINEAQSRC-UHFFFAOYSA-N -1 3 347.360 0.355 20 50 ECGDHM CC(=NNC(=O)C(=O)N1CCCC1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823942685 609274875 /nfs/dbraw/zinc/27/48/75/609274875.db2.gz HFAKOSREKAQWDH-UHFFFAOYSA-N -1 3 345.338 0.468 20 50 ECGDHM CC(=NNC(=O)C(=O)N1CCCC1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823942685 609274876 /nfs/dbraw/zinc/27/48/76/609274876.db2.gz HFAKOSREKAQWDH-UHFFFAOYSA-N -1 3 345.338 0.468 20 50 ECGDHM CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824109465 609307469 /nfs/dbraw/zinc/30/74/69/609307469.db2.gz RCLTVNHPYRGTDC-UHFFFAOYSA-N -1 3 345.363 0.842 20 50 ECGDHM CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000824109465 609307472 /nfs/dbraw/zinc/30/74/72/609307472.db2.gz RCLTVNHPYRGTDC-UHFFFAOYSA-N -1 3 345.363 0.842 20 50 ECGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)CC(F)(F)F ZINC000826249526 607338864 /nfs/dbraw/zinc/33/88/64/607338864.db2.gz HDLYCBILCBUCNA-UHFFFAOYSA-N -1 3 328.254 0.889 20 50 ECGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(-n2cncn2)nc1 ZINC000826447081 607339986 /nfs/dbraw/zinc/33/99/86/607339986.db2.gz LZVBTGSSRPHGJJ-UHFFFAOYSA-N -1 3 348.330 0.599 20 50 ECGDHM COCCn1cc(NC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826163742 607671393 /nfs/dbraw/zinc/67/13/93/607671393.db2.gz JGTVVPJSKXNLGS-UHFFFAOYSA-N -1 3 343.351 0.858 20 50 ECGDHM CC(C)(C)N1C[C@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000824093261 607718118 /nfs/dbraw/zinc/71/81/18/607718118.db2.gz FIOIHRFTYNPXQD-LLVKDONJSA-N -1 3 343.391 0.957 20 50 ECGDHM CC(C)(C)N1C[C@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000824093261 607718120 /nfs/dbraw/zinc/71/81/20/607718120.db2.gz FIOIHRFTYNPXQD-LLVKDONJSA-N -1 3 343.391 0.957 20 50 ECGDHM C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824728743 607720894 /nfs/dbraw/zinc/72/08/94/607720894.db2.gz HANWLASCMFYQJX-GWCFXTLKSA-N -1 3 332.364 0.894 20 50 ECGDHM C[C@H](OC[C@@H]1CCCO1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824728743 607720896 /nfs/dbraw/zinc/72/08/96/607720896.db2.gz HANWLASCMFYQJX-GWCFXTLKSA-N -1 3 332.364 0.894 20 50 ECGDHM CNC(=O)c1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000826067142 607733012 /nfs/dbraw/zinc/73/30/12/607733012.db2.gz CTTAUKRSNSSOAQ-UHFFFAOYSA-N -1 3 338.331 0.378 20 50 ECGDHM CNC(=O)c1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826067142 607733014 /nfs/dbraw/zinc/73/30/14/607733014.db2.gz CTTAUKRSNSSOAQ-UHFFFAOYSA-N -1 3 338.331 0.378 20 50 ECGDHM O=C(NN=c1[nH]cccc1[N+](=O)[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC000823285506 607054817 /nfs/dbraw/zinc/05/48/17/607054817.db2.gz UPKHTRMLFOMHPT-UHFFFAOYSA-N -1 3 326.276 0.927 20 50 ECGDHM CC(=NNC(=O)C(=O)N1CCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823942753 608094064 /nfs/dbraw/zinc/09/40/64/608094064.db2.gz IRBDTEXVEDXQLA-UHFFFAOYSA-N -1 3 333.377 0.391 20 50 ECGDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CC=C(C#N)CC1 ZINC000826174257 608386657 /nfs/dbraw/zinc/38/66/57/608386657.db2.gz PPVOCCZRBPDSSJ-UHFFFAOYSA-N -1 3 340.343 0.936 20 50 ECGDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CC=C(C#N)CC1 ZINC000826174257 608386659 /nfs/dbraw/zinc/38/66/59/608386659.db2.gz PPVOCCZRBPDSSJ-UHFFFAOYSA-N -1 3 340.343 0.936 20 50 ECGDHM CC[C@@H](CSC)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825128260 608411642 /nfs/dbraw/zinc/41/16/42/608411642.db2.gz SGCQGRRTTVIBHN-NSHDSACASA-N -1 3 349.420 0.952 20 50 ECGDHM CC[C@@H](CSC)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825128260 608411643 /nfs/dbraw/zinc/41/16/43/608411643.db2.gz SGCQGRRTTVIBHN-NSHDSACASA-N -1 3 349.420 0.952 20 50 ECGDHM CC(=O)N1CCC[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000823973912 607342744 /nfs/dbraw/zinc/34/27/44/607342744.db2.gz MHEZRNGXEOBONA-LBPRGKRZSA-N -1 3 329.364 0.568 20 50 ECGDHM NC(=O)NCCCCCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826392846 607349618 /nfs/dbraw/zinc/34/96/18/607349618.db2.gz PGOYBYFWZXNUSK-UHFFFAOYSA-N -1 3 332.368 0.539 20 50 ECGDHM Cc1nc([N+](=O)[O-])cn1CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826327673 607354170 /nfs/dbraw/zinc/35/41/70/607354170.db2.gz PSZBTYITRDPVQM-UHFFFAOYSA-N -1 3 343.307 0.423 20 50 ECGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000826447808 607726513 /nfs/dbraw/zinc/72/65/13/607726513.db2.gz XAFJAZWMBPIKSX-JTQLQIEISA-N -1 3 327.348 0.321 20 50 ECGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1CC(=O)N(C2CC2)C1 ZINC000826447808 607726515 /nfs/dbraw/zinc/72/65/15/607726515.db2.gz XAFJAZWMBPIKSX-JTQLQIEISA-N -1 3 327.348 0.321 20 50 ECGDHM CC(C)CN1C[C@@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000824261651 607730514 /nfs/dbraw/zinc/73/05/14/607730514.db2.gz NXBQBQNZBWZZEZ-LBPRGKRZSA-N -1 3 343.391 0.814 20 50 ECGDHM CC(C)CN1C[C@@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000824261651 607730516 /nfs/dbraw/zinc/73/05/16/607730516.db2.gz NXBQBQNZBWZZEZ-LBPRGKRZSA-N -1 3 343.391 0.814 20 50 ECGDHM Cc1nc(N)sc1C(=O)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826326950 607886112 /nfs/dbraw/zinc/88/61/12/607886112.db2.gz LUMCHBHRGKCRII-UHFFFAOYSA-N -1 3 328.361 0.978 20 50 ECGDHM Cc1nc(N)sc1C(=O)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826326950 607886113 /nfs/dbraw/zinc/88/61/13/607886113.db2.gz LUMCHBHRGKCRII-UHFFFAOYSA-N -1 3 328.361 0.978 20 50 ECGDHM O=C(NN=Cc1cnn2cccnc12)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444451 607888164 /nfs/dbraw/zinc/88/81/64/607888164.db2.gz HEJBJJBEZQKLHL-UHFFFAOYSA-N -1 3 333.315 0.673 20 50 ECGDHM O=C(NN=Cc1cnn2cccnc12)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444451 607888165 /nfs/dbraw/zinc/88/81/65/607888165.db2.gz HEJBJJBEZQKLHL-UHFFFAOYSA-N -1 3 333.315 0.673 20 50 ECGDHM C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824892442 608761482 /nfs/dbraw/zinc/76/14/82/608761482.db2.gz IFXANLCVLYZGQA-CABZTGNLSA-N -1 3 345.363 0.378 20 50 ECGDHM C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824892442 608761485 /nfs/dbraw/zinc/76/14/85/608761485.db2.gz IFXANLCVLYZGQA-CABZTGNLSA-N -1 3 345.363 0.378 20 50 ECGDHM CC(C)(C)OC(=O)NNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824113833 609182538 /nfs/dbraw/zinc/18/25/38/609182538.db2.gz FKIWHLKCNTUYSD-SNVBAGLBSA-N -1 3 334.336 0.456 20 50 ECGDHM CC(C)(C)OC(=O)NNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824113833 609182539 /nfs/dbraw/zinc/18/25/39/609182539.db2.gz FKIWHLKCNTUYSD-SNVBAGLBSA-N -1 3 334.336 0.456 20 50 ECGDHM N#CC1=CCN(S(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826380553 609222874 /nfs/dbraw/zinc/22/28/74/609222874.db2.gz DWBUASMKSHUUML-UHFFFAOYSA-N -1 3 330.373 0.852 20 50 ECGDHM N#CC1=CCN(S(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826380553 609222876 /nfs/dbraw/zinc/22/28/76/609222876.db2.gz DWBUASMKSHUUML-UHFFFAOYSA-N -1 3 330.373 0.852 20 50 ECGDHM N#Cc1cc(Cl)nc(NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000826384028 609231611 /nfs/dbraw/zinc/23/16/11/609231611.db2.gz CTANIWAEMYJNSC-UHFFFAOYSA-N -1 3 329.711 0.872 20 50 ECGDHM N#Cc1cc(Cl)nc(NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000826384028 609231613 /nfs/dbraw/zinc/23/16/13/609231613.db2.gz CTANIWAEMYJNSC-UHFFFAOYSA-N -1 3 329.711 0.872 20 50 ECGDHM C=CCOCCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000823925579 609265257 /nfs/dbraw/zinc/26/52/57/609265257.db2.gz MIISMIWEWXCNPV-MDWZMJQESA-N -1 3 341.375 0.739 20 50 ECGDHM C=CCOCCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000823925579 609265260 /nfs/dbraw/zinc/26/52/60/609265260.db2.gz MIISMIWEWXCNPV-MDWZMJQESA-N -1 3 341.375 0.739 20 50 ECGDHM CNC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826051790 609302666 /nfs/dbraw/zinc/30/26/66/609302666.db2.gz NHDJUBZLUJTNDI-KPKJPENVSA-N -1 3 334.343 0.920 20 50 ECGDHM CNC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826051790 609302668 /nfs/dbraw/zinc/30/26/68/609302668.db2.gz NHDJUBZLUJTNDI-KPKJPENVSA-N -1 3 334.343 0.920 20 50 ECGDHM O=C(NNC(=O)c1cc2c(s1)CCC2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826445436 609409872 /nfs/dbraw/zinc/40/98/72/609409872.db2.gz UOHTXBYICBQKMU-UHFFFAOYSA-N -1 3 343.372 0.820 20 50 ECGDHM O=C(NNC(=O)c1cc2c(s1)CCC2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826445436 609409875 /nfs/dbraw/zinc/40/98/75/609409875.db2.gz UOHTXBYICBQKMU-UHFFFAOYSA-N -1 3 343.372 0.820 20 50 ECGDHM COC1(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000826143775 609598311 /nfs/dbraw/zinc/59/83/11/609598311.db2.gz PCNDIDHIQJMFSL-UHFFFAOYSA-N -1 3 345.363 0.380 20 50 ECGDHM COC1(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000826143775 609598313 /nfs/dbraw/zinc/59/83/13/609598313.db2.gz PCNDIDHIQJMFSL-UHFFFAOYSA-N -1 3 345.363 0.380 20 50 ECGDHM COCCC1(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826155051 607510335 /nfs/dbraw/zinc/51/03/35/607510335.db2.gz DVCCOYAJRWVTOM-UHFFFAOYSA-N -1 3 330.348 0.444 20 50 ECGDHM COCCC1(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826155051 607510336 /nfs/dbraw/zinc/51/03/36/607510336.db2.gz DVCCOYAJRWVTOM-UHFFFAOYSA-N -1 3 330.348 0.444 20 50 ECGDHM O=C(CNC(=O)c1ccccn1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826412509 607716049 /nfs/dbraw/zinc/71/60/49/607716049.db2.gz QVNRSCYYHOGQMN-UHFFFAOYSA-N -1 3 338.331 0.135 20 50 ECGDHM O=C(CNC(=O)c1ccccn1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826412509 607716051 /nfs/dbraw/zinc/71/60/51/607716051.db2.gz QVNRSCYYHOGQMN-UHFFFAOYSA-N -1 3 338.331 0.135 20 50 ECGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000826448108 607718026 /nfs/dbraw/zinc/71/80/26/607718026.db2.gz IXTMNPLMKYADMF-YOGCLGLASA-N -1 3 342.359 0.552 20 50 ECGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000826448108 607718029 /nfs/dbraw/zinc/71/80/29/607718029.db2.gz IXTMNPLMKYADMF-YOGCLGLASA-N -1 3 342.359 0.552 20 50 ECGDHM CCn1nccc1C=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000825807983 607807759 /nfs/dbraw/zinc/80/77/59/607807759.db2.gz ZYRQXYGGFQBJHE-UHFFFAOYSA-N -1 3 340.347 0.612 20 50 ECGDHM CCn1nccc1C=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000825807983 607807760 /nfs/dbraw/zinc/80/77/60/607807760.db2.gz ZYRQXYGGFQBJHE-UHFFFAOYSA-N -1 3 340.347 0.612 20 50 ECGDHM C=CCCOCCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823898980 607939822 /nfs/dbraw/zinc/93/98/22/607939822.db2.gz GXIUHXRIJPWJJE-UHFFFAOYSA-N -1 3 345.363 0.403 20 50 ECGDHM C=CCCOCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823898980 607939823 /nfs/dbraw/zinc/93/98/23/607939823.db2.gz GXIUHXRIJPWJJE-UHFFFAOYSA-N -1 3 345.363 0.403 20 50 ECGDHM CC(C)OCCCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824309135 608134129 /nfs/dbraw/zinc/13/41/29/608134129.db2.gz GEQRPRQHAXUPCP-UHFFFAOYSA-N -1 3 332.364 0.833 20 50 ECGDHM CC(C)OCCCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824309135 608134130 /nfs/dbraw/zinc/13/41/30/608134130.db2.gz GEQRPRQHAXUPCP-UHFFFAOYSA-N -1 3 332.364 0.833 20 50 ECGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=CC[C@H]1CCOC1 ZINC000826417548 608227637 /nfs/dbraw/zinc/22/76/37/608227637.db2.gz VIGNGHNMDWDTOD-NSHDSACASA-N -1 3 330.348 0.774 20 50 ECGDHM C[C@H]1CC(=NNC(=O)COc2ccccc2-c2nnn[n-]2)CCO1 ZINC000824857505 608290048 /nfs/dbraw/zinc/29/00/48/608290048.db2.gz CXWUBQPVQDXFQR-JTQLQIEISA-N -1 3 330.348 0.917 20 50 ECGDHM C[C@H]1CC(=NNC(=O)COc2ccccc2-c2nn[n-]n2)CCO1 ZINC000824857505 608290049 /nfs/dbraw/zinc/29/00/49/608290049.db2.gz CXWUBQPVQDXFQR-JTQLQIEISA-N -1 3 330.348 0.917 20 50 ECGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNc1cc(C#N)cc(Cl)n1 ZINC000826358003 608542880 /nfs/dbraw/zinc/54/28/80/608542880.db2.gz ZSPYLDUWZVGSIF-UHFFFAOYSA-N -1 3 343.738 0.882 20 50 ECGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNc1cc(C#N)cc(Cl)n1 ZINC000826358003 608542882 /nfs/dbraw/zinc/54/28/82/608542882.db2.gz ZSPYLDUWZVGSIF-UHFFFAOYSA-N -1 3 343.738 0.882 20 50 ECGDHM COc1ncncc1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826222081 608817153 /nfs/dbraw/zinc/81/71/53/608817153.db2.gz HVALOIBHTBCKEG-UHFFFAOYSA-N -1 3 327.308 0.814 20 50 ECGDHM COc1ncncc1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826222081 608817155 /nfs/dbraw/zinc/81/71/55/608817155.db2.gz HVALOIBHTBCKEG-UHFFFAOYSA-N -1 3 327.308 0.814 20 50 ECGDHM N#CC1=CCN(C(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826380907 609165507 /nfs/dbraw/zinc/16/55/07/609165507.db2.gz QBOWUIWAXZGYAR-UHFFFAOYSA-N -1 3 337.343 0.279 20 50 ECGDHM N#CC1=CCN(C(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826380907 609165508 /nfs/dbraw/zinc/16/55/08/609165508.db2.gz QBOWUIWAXZGYAR-UHFFFAOYSA-N -1 3 337.343 0.279 20 50 ECGDHM O=C(NNC(=O)[C@@H]1[C@@H]2CCCO[C@H]12)c1cccc(-c2nnn[n-]2)c1 ZINC000826444727 609560867 /nfs/dbraw/zinc/56/08/67/609560867.db2.gz RNBXWNVJUIRHGX-TUAOUCFPSA-N -1 3 328.332 0.053 20 50 ECGDHM O=C(NNC(=O)[C@@H]1[C@@H]2CCCO[C@H]12)c1cccc(-c2nn[n-]n2)c1 ZINC000826444727 609560868 /nfs/dbraw/zinc/56/08/68/609560868.db2.gz RNBXWNVJUIRHGX-TUAOUCFPSA-N -1 3 328.332 0.053 20 50 ECGDHM CN(C)c1cccc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000825879732 607686149 /nfs/dbraw/zinc/68/61/49/607686149.db2.gz PXNMDACEGFMAHR-UHFFFAOYSA-N -1 3 340.347 0.336 20 50 ECGDHM CN(C)c1cccc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000825879732 607686151 /nfs/dbraw/zinc/68/61/51/607686151.db2.gz PXNMDACEGFMAHR-UHFFFAOYSA-N -1 3 340.347 0.336 20 50 ECGDHM C[C@@H](NC(=O)c1ccco1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824522100 607711138 /nfs/dbraw/zinc/71/11/38/607711138.db2.gz QBEYXQDJTWUGRK-SECBINFHSA-N -1 3 341.331 0.721 20 50 ECGDHM C[C@@H](NC(=O)c1ccco1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824522100 607711140 /nfs/dbraw/zinc/71/11/40/607711140.db2.gz QBEYXQDJTWUGRK-SECBINFHSA-N -1 3 341.331 0.721 20 50 ECGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1-n1cnnn1 ZINC000826448693 607714549 /nfs/dbraw/zinc/71/45/49/607714549.db2.gz HGPQGWQDOCTOKF-UHFFFAOYSA-N -1 3 348.330 0.599 20 50 ECGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1-n1cnnn1 ZINC000826448693 607714550 /nfs/dbraw/zinc/71/45/50/607714550.db2.gz HGPQGWQDOCTOKF-UHFFFAOYSA-N -1 3 348.330 0.599 20 50 ECGDHM O=C(CCCn1ccccc1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406969 607721478 /nfs/dbraw/zinc/72/14/78/607721478.db2.gz VTAYENRDDPULHC-UHFFFAOYSA-N -1 3 339.359 0.952 20 50 ECGDHM O=C(CCCn1ccccc1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406969 607721480 /nfs/dbraw/zinc/72/14/80/607721480.db2.gz VTAYENRDDPULHC-UHFFFAOYSA-N -1 3 339.359 0.952 20 50 ECGDHM CNC(=O)c1cccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826067507 607724164 /nfs/dbraw/zinc/72/41/64/607724164.db2.gz HIGKSJUDEZYRJI-UHFFFAOYSA-N -1 3 337.343 0.983 20 50 ECGDHM CNC(=O)c1cccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826067507 607724166 /nfs/dbraw/zinc/72/41/66/607724166.db2.gz HIGKSJUDEZYRJI-UHFFFAOYSA-N -1 3 337.343 0.983 20 50 ECGDHM CC(=NNC(=O)CN1CCCC1=O)c1ccc(-c2nnn[n-]2)s1 ZINC000823947994 608093965 /nfs/dbraw/zinc/09/39/65/608093965.db2.gz BDIDKYHSDVJAST-UHFFFAOYSA-N -1 3 333.377 0.391 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N2C[C@H](C)[C@H](O)C2)cc(-c2nnn[n-]2)n1C ZINC000826235617 608636900 /nfs/dbraw/zinc/63/69/00/608636900.db2.gz NGKYROUFBSEGJN-RNDFNWBPSA-N -1 3 341.375 0.260 20 50 ECGDHM Cc1c(C=C(C#N)C(=O)N2C[C@H](C)[C@H](O)C2)cc(-c2nn[n-]n2)n1C ZINC000826235617 608636901 /nfs/dbraw/zinc/63/69/01/608636901.db2.gz NGKYROUFBSEGJN-RNDFNWBPSA-N -1 3 341.375 0.260 20 50 ECGDHM C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824892441 608762017 /nfs/dbraw/zinc/76/20/17/608762017.db2.gz IFXANLCVLYZGQA-BXKDBHETSA-N -1 3 345.363 0.378 20 50 ECGDHM C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824892441 608762018 /nfs/dbraw/zinc/76/20/18/608762018.db2.gz IFXANLCVLYZGQA-BXKDBHETSA-N -1 3 345.363 0.378 20 50 ECGDHM CCc1ccc(C(=O)NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000825704217 609410547 /nfs/dbraw/zinc/41/05/47/609410547.db2.gz DOFDHOUKCMPFSJ-UHFFFAOYSA-N -1 3 325.332 0.832 20 50 ECGDHM CCc1ccc(C(=O)NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000825704217 609410548 /nfs/dbraw/zinc/41/05/48/609410548.db2.gz DOFDHOUKCMPFSJ-UHFFFAOYSA-N -1 3 325.332 0.832 20 50 ECGDHM CC[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000825182427 609552395 /nfs/dbraw/zinc/55/23/95/609552395.db2.gz IYYLPBBJRNPROA-CHWSQXEVSA-N -1 3 344.375 0.833 20 50 ECGDHM CC[C@@H]1C[C@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000825182427 609552398 /nfs/dbraw/zinc/55/23/98/609552398.db2.gz IYYLPBBJRNPROA-CHWSQXEVSA-N -1 3 344.375 0.833 20 50 ECGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(-n2cnnn2)cc1 ZINC000826446909 607339415 /nfs/dbraw/zinc/33/94/15/607339415.db2.gz DPOSNNTUKBFTCZ-UHFFFAOYSA-N -1 3 348.330 0.599 20 50 ECGDHM O=C(CNC(=O)c1ccncc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826412405 607463544 /nfs/dbraw/zinc/46/35/44/607463544.db2.gz MXCQOFSTLOXZQM-UHFFFAOYSA-N -1 3 338.331 0.135 20 50 ECGDHM O=C(CNC(=O)c1ccncc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826412405 607463545 /nfs/dbraw/zinc/46/35/45/607463545.db2.gz MXCQOFSTLOXZQM-UHFFFAOYSA-N -1 3 338.331 0.135 20 50 ECGDHM CC[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)N1CCCC1=O ZINC000825038710 607718894 /nfs/dbraw/zinc/71/88/94/607718894.db2.gz GOIGCFFQBAWMAM-LBPRGKRZSA-N -1 3 329.364 0.711 20 50 ECGDHM CC[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)N1CCCC1=O ZINC000825038710 607718896 /nfs/dbraw/zinc/71/88/96/607718896.db2.gz GOIGCFFQBAWMAM-LBPRGKRZSA-N -1 3 329.364 0.711 20 50 ECGDHM Cn1cc(C(N)=O)cc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826359812 607721510 /nfs/dbraw/zinc/72/15/10/607721510.db2.gz QXYFIMJYHISIIQ-UHFFFAOYSA-N -1 3 326.320 0.061 20 50 ECGDHM Cn1cc(C(N)=O)cc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826359812 607721511 /nfs/dbraw/zinc/72/15/11/607721511.db2.gz QXYFIMJYHISIIQ-UHFFFAOYSA-N -1 3 326.320 0.061 20 50 ECGDHM O=C(NN=c1[nH]cccc1[N+](=O)[O-])c1sccc1-c1nnn[n-]1 ZINC000823285509 607054783 /nfs/dbraw/zinc/05/47/83/607054783.db2.gz URCNGVIMYOMNNV-UHFFFAOYSA-N -1 3 332.305 0.988 20 50 ECGDHM O=C(NN=c1[nH]cccc1[N+](=O)[O-])c1sccc1-c1nn[n-]n1 ZINC000823285509 607054784 /nfs/dbraw/zinc/05/47/84/607054784.db2.gz URCNGVIMYOMNNV-UHFFFAOYSA-N -1 3 332.305 0.988 20 50 ECGDHM C=C(C)[C@@H](CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)OCC ZINC000823873072 607888906 /nfs/dbraw/zinc/88/89/06/607888906.db2.gz HMJPNJNDHLVWAR-CYBMUJFWSA-N -1 3 344.375 0.999 20 50 ECGDHM C=C(C)[C@@H](CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)OCC ZINC000823873072 607888907 /nfs/dbraw/zinc/88/89/07/607888907.db2.gz HMJPNJNDHLVWAR-CYBMUJFWSA-N -1 3 344.375 0.999 20 50 ECGDHM O=C(NN=Cc1cnc2ncccn12)c1cccc(-c2nnn[n-]2)c1 ZINC000826444341 607888915 /nfs/dbraw/zinc/88/89/15/607888915.db2.gz BPIVJFZWIMPFKA-UHFFFAOYSA-N -1 3 333.315 0.673 20 50 ECGDHM O=C(NN=Cc1cnc2ncccn12)c1cccc(-c2nn[n-]n2)c1 ZINC000826444341 607888916 /nfs/dbraw/zinc/88/89/16/607888916.db2.gz BPIVJFZWIMPFKA-UHFFFAOYSA-N -1 3 333.315 0.673 20 50 ECGDHM C[C@@H]1CCC[C@@H]1C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824925251 608133119 /nfs/dbraw/zinc/13/31/19/608133119.db2.gz CEHSNQBSQABFAU-MFKMUULPSA-N -1 3 344.375 0.829 20 50 ECGDHM C#CCCCCC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000823838770 608288945 /nfs/dbraw/zinc/28/89/45/608288945.db2.gz UKEJLSNOTRBUMZ-UHFFFAOYSA-N -1 3 342.359 0.587 20 50 ECGDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)NNc1cnccn1 ZINC000826186003 608809589 /nfs/dbraw/zinc/80/95/89/608809589.db2.gz ADYHVTIGNHACNX-UHFFFAOYSA-N -1 3 327.308 0.814 20 50 ECGDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)NNc1cnccn1 ZINC000826186003 608809590 /nfs/dbraw/zinc/80/95/90/608809590.db2.gz ADYHVTIGNHACNX-UHFFFAOYSA-N -1 3 327.308 0.814 20 50 ECGDHM