smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nn(C)cc1[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737513750 945089105 /nfs/dbraw/zinc/08/91/05/945089105.db2.gz STUOTJQGVXOWTN-SECBINFHSA-N -1 3 369.389 0.614 20 50 FCGDHM Cc1nn(C)cc1[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737513750 945089113 /nfs/dbraw/zinc/08/91/13/945089113.db2.gz STUOTJQGVXOWTN-SECBINFHSA-N -1 3 369.389 0.614 20 50 FCGDHM Cc1nonc1COC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000737548772 945095147 /nfs/dbraw/zinc/09/51/47/945095147.db2.gz WCAZTHKEGLIKQK-NYYWCZLTSA-N -1 3 354.330 0.855 20 50 FCGDHM Cc1nonc1COC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000737548772 945095160 /nfs/dbraw/zinc/09/51/60/945095160.db2.gz WCAZTHKEGLIKQK-NYYWCZLTSA-N -1 3 354.330 0.855 20 50 FCGDHM Cn1c(=O)c2ccccc2[nH]c1=NNC(=O)c1sccc1-c1nnn[n-]1 ZINC000737596977 945099038 /nfs/dbraw/zinc/09/90/38/945099038.db2.gz PALFQUPMMLHUFX-UHFFFAOYSA-N -1 3 368.382 0.932 20 50 FCGDHM Cn1c(=O)c2ccccc2[nH]c1=NNC(=O)c1sccc1-c1nn[n-]n1 ZINC000737596977 945099045 /nfs/dbraw/zinc/09/90/45/945099045.db2.gz PALFQUPMMLHUFX-UHFFFAOYSA-N -1 3 368.382 0.932 20 50 FCGDHM Cn1c(=O)c2ccccc2[nH]c1=NNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737597196 945098228 /nfs/dbraw/zinc/09/82/28/945098228.db2.gz RILGTDWNLLXXCA-UHFFFAOYSA-N -1 3 363.341 0.266 20 50 FCGDHM Cn1c(=O)c2ccccc2[nH]c1=NNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737597196 945098235 /nfs/dbraw/zinc/09/82/35/945098235.db2.gz RILGTDWNLLXXCA-UHFFFAOYSA-N -1 3 363.341 0.266 20 50 FCGDHM N#CCOc1ccccc1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737697609 945113276 /nfs/dbraw/zinc/11/32/76/945113276.db2.gz JQEGCGHXPPEALR-UHFFFAOYSA-N -1 3 363.337 0.844 20 50 FCGDHM N#CCOc1ccccc1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737697609 945113280 /nfs/dbraw/zinc/11/32/80/945113280.db2.gz JQEGCGHXPPEALR-UHFFFAOYSA-N -1 3 363.337 0.844 20 50 FCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)Cc1ccccn1 ZINC000737930214 945158436 /nfs/dbraw/zinc/15/84/36/945158436.db2.gz NPBPZPDJDRSLNT-UHFFFAOYSA-N -1 3 353.342 0.031 20 50 FCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)Cc1ccccn1 ZINC000737930214 945158437 /nfs/dbraw/zinc/15/84/37/945158437.db2.gz NPBPZPDJDRSLNT-UHFFFAOYSA-N -1 3 353.342 0.031 20 50 FCGDHM O=C(CSC1=NCCS1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737932130 945160246 /nfs/dbraw/zinc/16/02/46/945160246.db2.gz JQLUDYDFJLLWHN-UHFFFAOYSA-N -1 3 363.428 0.464 20 50 FCGDHM O=C(CSC1=NCCS1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737932130 945160250 /nfs/dbraw/zinc/16/02/50/945160250.db2.gz JQLUDYDFJLLWHN-UHFFFAOYSA-N -1 3 363.428 0.464 20 50 FCGDHM O=C(NCCNc1ccc(-c2nnn[n-]2)cn1)NNc1ccc(F)cn1 ZINC000738078509 945183707 /nfs/dbraw/zinc/18/37/07/945183707.db2.gz QYZCZKQQKDYNJQ-UHFFFAOYSA-N -1 3 358.341 0.534 20 50 FCGDHM O=C(NCCNc1ccc(-c2nn[n-]n2)cn1)NNc1ccc(F)cn1 ZINC000738078509 945183715 /nfs/dbraw/zinc/18/37/15/945183715.db2.gz QYZCZKQQKDYNJQ-UHFFFAOYSA-N -1 3 358.341 0.534 20 50 FCGDHM O=C(NNC(=O)c1cccc2c1OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000738134814 945223324 /nfs/dbraw/zinc/22/33/24/945223324.db2.gz UJCDBRHJDBFRLT-UHFFFAOYSA-N -1 3 366.337 0.713 20 50 FCGDHM C=CCOCCCC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000819751219 945281510 /nfs/dbraw/zinc/28/15/10/945281510.db2.gz SNZWOAFKHCHQSW-UHFFFAOYSA-N -1 3 360.374 0.376 20 50 FCGDHM CC(C)[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820045910 945337040 /nfs/dbraw/zinc/33/70/40/945337040.db2.gz OMOPKGFTADWCDB-KBPBESRZSA-N -1 3 373.417 0.872 20 50 FCGDHM CC(C)[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820045910 945337049 /nfs/dbraw/zinc/33/70/49/945337049.db2.gz OMOPKGFTADWCDB-KBPBESRZSA-N -1 3 373.417 0.872 20 50 FCGDHM CC(C)(C)N1C[C@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000735617817 944682212 /nfs/dbraw/zinc/68/22/12/944682212.db2.gz ARGCDFHMYDSAIR-GFCCVEGCSA-N -1 3 371.401 0.275 20 50 FCGDHM CC(C)(C)N1C[C@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000735617817 944682218 /nfs/dbraw/zinc/68/22/18/944682218.db2.gz ARGCDFHMYDSAIR-GFCCVEGCSA-N -1 3 371.401 0.275 20 50 FCGDHM CC(C)C(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735684815 944691428 /nfs/dbraw/zinc/69/14/28/944691428.db2.gz UNEICQNPYJFHEG-ZDUSSCGKSA-N -1 3 371.401 0.275 20 50 FCGDHM CC(C)C(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735684815 944691437 /nfs/dbraw/zinc/69/14/37/944691437.db2.gz UNEICQNPYJFHEG-ZDUSSCGKSA-N -1 3 371.401 0.275 20 50 FCGDHM CC(C)CC(=O)NCCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735759098 944699489 /nfs/dbraw/zinc/69/94/89/944699489.db2.gz QAUJHXAUZPXXNT-UHFFFAOYSA-N -1 3 359.390 0.180 20 50 FCGDHM CC(C)CC(=O)NCCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735759098 944699495 /nfs/dbraw/zinc/69/94/95/944699495.db2.gz QAUJHXAUZPXXNT-UHFFFAOYSA-N -1 3 359.390 0.180 20 50 FCGDHM C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cn1cccn1 ZINC000736017621 944734728 /nfs/dbraw/zinc/73/47/28/944734728.db2.gz QVYIQCPATCUIJF-LLVKDONJSA-N -1 3 369.389 0.344 20 50 FCGDHM C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cn1cccn1 ZINC000736017621 944734737 /nfs/dbraw/zinc/73/47/37/944734737.db2.gz QVYIQCPATCUIJF-LLVKDONJSA-N -1 3 369.389 0.344 20 50 FCGDHM C[C@H](Cn1ccnc1)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736094960 944738505 /nfs/dbraw/zinc/73/85/05/944738505.db2.gz BRTZZYXGDKNALZ-SNVBAGLBSA-N -1 3 355.362 0.096 20 50 FCGDHM C[C@@H](NC(=S)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736123738 944745802 /nfs/dbraw/zinc/74/58/02/944745802.db2.gz COPVOFUIHBPULJ-SECBINFHSA-N -1 3 361.431 0.539 20 50 FCGDHM CC1(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000736201499 944760096 /nfs/dbraw/zinc/76/00/96/944760096.db2.gz GCSXPSDCBFRYBC-UHFFFAOYSA-N -1 3 360.374 0.210 20 50 FCGDHM CCC(=O)NNC(=O)[C@@H](C)Sc1nc(C)nc(C)c1-c1nnn[n-]1 ZINC000736301498 944792679 /nfs/dbraw/zinc/79/26/79/944792679.db2.gz CZNDRZFWLLTMIY-SSDOTTSWSA-N -1 3 350.408 0.312 20 50 FCGDHM CCC(CC)[C@@H](O)CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736336186 944805244 /nfs/dbraw/zinc/80/52/44/944805244.db2.gz AJVPRCHVQMARBM-ZDUSSCGKSA-N -1 3 361.406 0.608 20 50 FCGDHM CCC(CC)[C@@H](O)CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736336186 944805254 /nfs/dbraw/zinc/80/52/54/944805254.db2.gz AJVPRCHVQMARBM-ZDUSSCGKSA-N -1 3 361.406 0.608 20 50 FCGDHM CCC(CC)NC(=O)C(=O)NN=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000736346245 944805862 /nfs/dbraw/zinc/80/58/62/944805862.db2.gz WBVYPWOSMBATNV-UHFFFAOYSA-N -1 3 359.390 0.630 20 50 FCGDHM CCC(CC)NC(=O)C(=O)NN=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000736346245 944805869 /nfs/dbraw/zinc/80/58/69/944805869.db2.gz WBVYPWOSMBATNV-UHFFFAOYSA-N -1 3 359.390 0.630 20 50 FCGDHM CCCNC(=O)NNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736487511 944833450 /nfs/dbraw/zinc/83/34/50/944833450.db2.gz IYPIAGVZCGZMTB-CYBMUJFWSA-N -1 3 358.406 0.576 20 50 FCGDHM CCOC(=O)C(C#N)=CNC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736586717 944848620 /nfs/dbraw/zinc/84/86/20/944848620.db2.gz PCWRHSODBZZQON-QBFSEMIESA-N -1 3 368.401 0.791 20 50 FCGDHM CCOC(=O)C(C#N)=CNC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736586717 944848624 /nfs/dbraw/zinc/84/86/24/944848624.db2.gz PCWRHSODBZZQON-QBFSEMIESA-N -1 3 368.401 0.791 20 50 FCGDHM CCOC(=O)C(C#N)=CNC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000736586715 944849763 /nfs/dbraw/zinc/84/97/63/944849763.db2.gz PCWRHSODBZZQON-ACCUITESSA-N -1 3 368.401 0.791 20 50 FCGDHM CCOC(=O)C(C#N)=CNC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000736586715 944849771 /nfs/dbraw/zinc/84/97/71/944849771.db2.gz PCWRHSODBZZQON-ACCUITESSA-N -1 3 368.401 0.791 20 50 FCGDHM CCOC(=O)CN(C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736597004 944852089 /nfs/dbraw/zinc/85/20/89/944852089.db2.gz XZMJCBCDKCRIHA-WUXMJOGZSA-N -1 3 357.374 0.442 20 50 FCGDHM CCOC(=O)CN(C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736597004 944852097 /nfs/dbraw/zinc/85/20/97/944852097.db2.gz XZMJCBCDKCRIHA-WUXMJOGZSA-N -1 3 357.374 0.442 20 50 FCGDHM CN(C[C@@H]1CCCCO1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736795745 944890918 /nfs/dbraw/zinc/89/09/18/944890918.db2.gz XYWXOSGPEKUGQO-ZDUSSCGKSA-N -1 3 359.390 0.722 20 50 FCGDHM CN(C[C@@H]1CCCCO1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736795745 944890922 /nfs/dbraw/zinc/89/09/22/944890922.db2.gz XYWXOSGPEKUGQO-ZDUSSCGKSA-N -1 3 359.390 0.722 20 50 FCGDHM CNC(=O)NNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736878270 944903028 /nfs/dbraw/zinc/90/30/28/944903028.db2.gz BXODSLJMAFBCSA-UHFFFAOYSA-N -1 3 354.330 0.628 20 50 FCGDHM CNC(=O)NNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736878270 944903035 /nfs/dbraw/zinc/90/30/35/944903035.db2.gz BXODSLJMAFBCSA-UHFFFAOYSA-N -1 3 354.330 0.628 20 50 FCGDHM COC(=O)N1CCC[C@@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736936874 944913925 /nfs/dbraw/zinc/91/39/25/944913925.db2.gz RWKFKGVBWVHEIY-GFCCVEGCSA-N -1 3 360.378 0.724 20 50 FCGDHM COC(=O)N1CCC[C@@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736936874 944913931 /nfs/dbraw/zinc/91/39/31/944913931.db2.gz RWKFKGVBWVHEIY-GFCCVEGCSA-N -1 3 360.378 0.724 20 50 FCGDHM CSC[C@@H](C)C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737178718 944976979 /nfs/dbraw/zinc/97/69/79/944976979.db2.gz CMOFEVQNNQVMNJ-SECBINFHSA-N -1 3 350.404 0.392 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CC(n3cccn3)C2)cc(-c2nn[n-]n2)n1C ZINC000737211169 944984125 /nfs/dbraw/zinc/98/41/25/944984125.db2.gz BACLEIMJYGBTNV-MLPAPPSSSA-N -1 3 363.385 0.701 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCC[S@@](C)=O)cc(-c2nnn[n-]2)n1C ZINC000737211364 944985185 /nfs/dbraw/zinc/98/51/85/944985185.db2.gz BWISTGBHFPBIST-GRLJGPAPSA-N -1 3 361.431 0.305 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCC[S@@](C)=O)cc(-c2nn[n-]n2)n1C ZINC000737211364 944985189 /nfs/dbraw/zinc/98/51/89/944985189.db2.gz BWISTGBHFPBIST-GRLJGPAPSA-N -1 3 361.431 0.305 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2nncn2C)cc(-c2nnn[n-]2)n1C ZINC000737213702 945005806 /nfs/dbraw/zinc/00/58/06/945005806.db2.gz VZZFJVMZDKVYPK-IWKZGAEBSA-N -1 3 366.389 0.427 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2nncn2C)cc(-c2nn[n-]n2)n1C ZINC000737213702 945005814 /nfs/dbraw/zinc/00/58/14/945005814.db2.gz VZZFJVMZDKVYPK-IWKZGAEBSA-N -1 3 366.389 0.427 20 50 FCGDHM C[C@@H](O)[C@H](C)SCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820467868 945457126 /nfs/dbraw/zinc/45/71/26/945457126.db2.gz NRAPPXNUTFGQAV-BDAKNGLRSA-N -1 3 350.404 0.130 20 50 FCGDHM C[C@@H](O)[C@H](C)SCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820467868 945457136 /nfs/dbraw/zinc/45/71/36/945457136.db2.gz NRAPPXNUTFGQAV-BDAKNGLRSA-N -1 3 350.404 0.130 20 50 FCGDHM CC1(O)CCC(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820623197 945501494 /nfs/dbraw/zinc/50/14/94/945501494.db2.gz HRYDYWHMLLPXFP-UHFFFAOYSA-N -1 3 359.390 0.504 20 50 FCGDHM CC1(O)CCC(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820623197 945501502 /nfs/dbraw/zinc/50/15/02/945501502.db2.gz HRYDYWHMLLPXFP-UHFFFAOYSA-N -1 3 359.390 0.504 20 50 FCGDHM CC[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H](C)O1 ZINC000820994647 945605238 /nfs/dbraw/zinc/60/52/38/945605238.db2.gz JOHJMBMRLZALCH-SMDDNHRTSA-N -1 3 373.417 0.127 20 50 FCGDHM CC[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC000820994647 945605245 /nfs/dbraw/zinc/60/52/45/945605245.db2.gz JOHJMBMRLZALCH-SMDDNHRTSA-N -1 3 373.417 0.127 20 50 FCGDHM CC[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H](C)O1 ZINC000820995201 945608204 /nfs/dbraw/zinc/60/82/04/945608204.db2.gz NZMXXZSHJBVEHJ-RISCZKNCSA-N -1 3 373.417 0.127 20 50 FCGDHM CC[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H](C)O1 ZINC000820995201 945608209 /nfs/dbraw/zinc/60/82/09/945608209.db2.gz NZMXXZSHJBVEHJ-RISCZKNCSA-N -1 3 373.417 0.127 20 50 FCGDHM CCO[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821366983 945680947 /nfs/dbraw/zinc/68/09/47/945680947.db2.gz AALQCXCAKYGULC-AWEZNQCLSA-N -1 3 373.417 0.129 20 50 FCGDHM CCO[C@H]1CCCN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821366983 945680953 /nfs/dbraw/zinc/68/09/53/945680953.db2.gz AALQCXCAKYGULC-AWEZNQCLSA-N -1 3 373.417 0.129 20 50 FCGDHM COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821655968 945778612 /nfs/dbraw/zinc/77/86/12/945778612.db2.gz VBVIOXCJTZNZQF-QWHCGFSZSA-N -1 3 372.385 0.607 20 50 FCGDHM COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821655968 945778616 /nfs/dbraw/zinc/77/86/16/945778616.db2.gz VBVIOXCJTZNZQF-QWHCGFSZSA-N -1 3 372.385 0.607 20 50 FCGDHM COCC[C@](C)(O)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821685869 945809283 /nfs/dbraw/zinc/80/92/83/945809283.db2.gz SZCNUFNCNDGDHA-FUIJVIPGSA-N -1 3 373.417 0.324 20 50 FCGDHM COCC[C@](C)(O)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821685869 945809294 /nfs/dbraw/zinc/80/92/94/945809294.db2.gz SZCNUFNCNDGDHA-FUIJVIPGSA-N -1 3 373.417 0.324 20 50 FCGDHM COCCOC1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000821692452 945824194 /nfs/dbraw/zinc/82/41/94/945824194.db2.gz YARTYYRJFAPUMU-AWNIVKPZSA-N -1 3 371.401 0.294 20 50 FCGDHM COCCOC1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000821692452 945824201 /nfs/dbraw/zinc/82/42/01/945824201.db2.gz YARTYYRJFAPUMU-AWNIVKPZSA-N -1 3 371.401 0.294 20 50 FCGDHM COc1cc(Cl)ccc1C(=O)NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821717302 945846216 /nfs/dbraw/zinc/84/62/16/945846216.db2.gz NFZLOUYJMMYBBM-UHFFFAOYSA-N -1 3 361.749 0.932 20 50 FCGDHM COc1cc(Cl)ccc1C(=O)NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821717302 945846226 /nfs/dbraw/zinc/84/62/26/945846226.db2.gz NFZLOUYJMMYBBM-UHFFFAOYSA-N -1 3 361.749 0.932 20 50 FCGDHM COc1ccc(NNC(=O)c2cc(-c3nnn[n-]3)cn2C)c([N+](=O)[O-])c1 ZINC000821835704 945881473 /nfs/dbraw/zinc/88/14/73/945881473.db2.gz PWZIRTUIOHLPMJ-UHFFFAOYSA-N -1 3 358.318 0.879 20 50 FCGDHM COc1ccc(NNC(=O)c2cc(-c3nn[n-]n3)cn2C)c([N+](=O)[O-])c1 ZINC000821835704 945881478 /nfs/dbraw/zinc/88/14/78/945881478.db2.gz PWZIRTUIOHLPMJ-UHFFFAOYSA-N -1 3 358.318 0.879 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2C[C@H]3CC[C@@H](C2)O3)cc(-c2nnn[n-]2)n1C ZINC000822028389 945941133 /nfs/dbraw/zinc/94/11/33/945941133.db2.gz NTYWCEYXTUNXOZ-ZTTPKUNYSA-N -1 3 353.386 0.810 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2C[C@H]3CC[C@@H](C2)O3)cc(-c2nn[n-]n2)n1C ZINC000822028389 945941141 /nfs/dbraw/zinc/94/11/41/945941141.db2.gz NTYWCEYXTUNXOZ-ZTTPKUNYSA-N -1 3 353.386 0.810 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCc2ncnn2C)cc(-c2nnn[n-]2)n1C ZINC000822028527 945944518 /nfs/dbraw/zinc/94/45/18/945944518.db2.gz OYFBFRSFUBPGRL-NYYWCZLTSA-N -1 3 353.346 0.293 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCc2ncnn2C)cc(-c2nn[n-]n2)n1C ZINC000822028527 945944528 /nfs/dbraw/zinc/94/45/28/945944528.db2.gz OYFBFRSFUBPGRL-NYYWCZLTSA-N -1 3 353.346 0.293 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)C(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000822028659 945946034 /nfs/dbraw/zinc/94/60/34/945946034.db2.gz RMDSTQKOYFDZNT-BWLWAFFFSA-N -1 3 369.307 0.460 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)C(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000822028659 945946047 /nfs/dbraw/zinc/94/60/47/945946047.db2.gz RMDSTQKOYFDZNT-BWLWAFFFSA-N -1 3 369.307 0.460 20 50 FCGDHM Cc1ccc(NCC(=O)NNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c(C)c1 ZINC000822254684 946033898 /nfs/dbraw/zinc/03/38/98/946033898.db2.gz OSLKYYXCXDMFAL-UHFFFAOYSA-N -1 3 354.374 0.685 20 50 FCGDHM Cc1ccc(NCC(=O)NNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c(C)c1 ZINC000822254684 946033908 /nfs/dbraw/zinc/03/39/08/946033908.db2.gz OSLKYYXCXDMFAL-UHFFFAOYSA-N -1 3 354.374 0.685 20 50 FCGDHM Cc1cccc(OCC(=O)NNC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000822326856 946055029 /nfs/dbraw/zinc/05/50/29/946055029.db2.gz BSUUPRAJVNGFOK-UHFFFAOYSA-N -1 3 366.381 0.944 20 50 FCGDHM Cc1cccc(OCC(=O)NNC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000822326856 946055035 /nfs/dbraw/zinc/05/50/35/946055035.db2.gz BSUUPRAJVNGFOK-UHFFFAOYSA-N -1 3 366.381 0.944 20 50 FCGDHM O=C(COC(=O)[C@@H]1C[C@H]1C1CC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018498 946273711 /nfs/dbraw/zinc/27/37/11/946273711.db2.gz PJJVQGHSATUZIO-QWHCGFSZSA-N -1 3 370.369 0.217 20 50 FCGDHM O=C(COC(=O)[C@@H]1C[C@H]1C1CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018498 946273722 /nfs/dbraw/zinc/27/37/22/946273722.db2.gz PJJVQGHSATUZIO-QWHCGFSZSA-N -1 3 370.369 0.217 20 50 FCGDHM O=C(Cc1ccncc1)NNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000823114998 946317695 /nfs/dbraw/zinc/31/76/95/946317695.db2.gz HAWKKQXSHOEGBG-UHFFFAOYSA-N -1 3 370.348 0.474 20 50 FCGDHM O=C(Cc1ccncc1)NNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000823114998 946317709 /nfs/dbraw/zinc/31/77/09/946317709.db2.gz HAWKKQXSHOEGBG-UHFFFAOYSA-N -1 3 370.348 0.474 20 50 FCGDHM O=C(NNC(=O)[C@H]1CCCc2n[nH]cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000823273577 946386946 /nfs/dbraw/zinc/38/69/46/946386946.db2.gz RCLAWXPHOMNXGQ-NSHDSACASA-N -1 3 352.358 0.471 20 50 FCGDHM O=C(NNC(=O)N1CCOC2(CCCC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823276973 946392378 /nfs/dbraw/zinc/39/23/78/946392378.db2.gz AMYJSLJGGBCPMR-UHFFFAOYSA-N -1 3 371.401 0.866 20 50 FCGDHM O=C(NNC(=O)N1CCOC2(CCCC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823276973 946392390 /nfs/dbraw/zinc/39/23/90/946392390.db2.gz AMYJSLJGGBCPMR-UHFFFAOYSA-N -1 3 371.401 0.866 20 50 FCGDHM C[C@@H]1CC[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824907603 946988247 /nfs/dbraw/zinc/98/82/47/946988247.db2.gz JKXKCDRWURTEDE-MFKMUULPSA-N -1 3 372.385 0.607 20 50 FCGDHM C[C@@H]1CC[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824907603 946988255 /nfs/dbraw/zinc/98/82/55/946988255.db2.gz JKXKCDRWURTEDE-MFKMUULPSA-N -1 3 372.385 0.607 20 50 FCGDHM CS(=O)(=O)c1cccc(NNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826224067 947662652 /nfs/dbraw/zinc/66/26/52/947662652.db2.gz MUSNNIOVTKDGKO-UHFFFAOYSA-N -1 3 372.410 0.956 20 50 FCGDHM CS(=O)(=O)c1cccc(NNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826224067 947662658 /nfs/dbraw/zinc/66/26/58/947662658.db2.gz MUSNNIOVTKDGKO-UHFFFAOYSA-N -1 3 372.410 0.956 20 50 FCGDHM O=C(C=Cc1ccc(O)c(O)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826400784 948220422 /nfs/dbraw/zinc/22/04/22/948220422.db2.gz IFDWWHCGHXWBLD-ALCCZGGFSA-N -1 3 366.337 0.752 20 50 FCGDHM O=C(C=Cc1ccc(O)c(O)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826400784 948220432 /nfs/dbraw/zinc/22/04/32/948220432.db2.gz IFDWWHCGHXWBLD-ALCCZGGFSA-N -1 3 366.337 0.752 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc2nsnc2c1 ZINC000826445455 948310607 /nfs/dbraw/zinc/31/06/07/948310607.db2.gz VKRPNNNJYDBFIL-UHFFFAOYSA-N -1 3 366.366 0.946 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc2nsnc2c1 ZINC000826445455 948310613 /nfs/dbraw/zinc/31/06/13/948310613.db2.gz VKRPNNNJYDBFIL-UHFFFAOYSA-N -1 3 366.366 0.946 20 50 FCGDHM CN1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C[C@@H](C(=O)[O-])C1 ZINC001598616344 993887949 /nfs/dbraw/zinc/88/79/49/993887949.db2.gz QMZLCTRKIKJOHQ-LBPRGKRZSA-N -1 3 368.821 0.049 20 50 FCGDHM Cc1ccc(S(N)(=O)=O)cc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826293025 607334323 /nfs/dbraw/zinc/33/43/23/607334323.db2.gz XKBSDOPDCBVTSU-UHFFFAOYSA-N -1 3 373.398 0.579 20 50 FCGDHM Cc1ccc(S(N)(=O)=O)cc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826293025 607334325 /nfs/dbraw/zinc/33/43/25/607334325.db2.gz XKBSDOPDCBVTSU-UHFFFAOYSA-N -1 3 373.398 0.579 20 50 FCGDHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826223728 607344368 /nfs/dbraw/zinc/34/43/68/607344368.db2.gz XWNZHMCTOYWSDO-GFCCVEGCSA-N -1 3 365.419 0.124 20 50 FCGDHM O=C(CN1C(=O)NC2(CCCC2)C1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409686 607344745 /nfs/dbraw/zinc/34/47/45/607344745.db2.gz KVSJWVMPPVFIBI-UHFFFAOYSA-N -1 3 370.373 0.174 20 50 FCGDHM COc1ccc(C(=O)NCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826187244 607346662 /nfs/dbraw/zinc/34/66/62/607346662.db2.gz HJAVSSBIERXMDE-UHFFFAOYSA-N -1 3 367.369 0.748 20 50 FCGDHM O=C(NNC(=O)N1CC[C@@H]([C@H]2CCOC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444628 607538345 /nfs/dbraw/zinc/53/83/45/607538345.db2.gz NXCSPZCJKHPEQM-KGLIPLIRSA-N -1 3 371.401 0.580 20 50 FCGDHM O=C(NNC(=O)N1CC[C@@H]([C@H]2CCOC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444628 607538346 /nfs/dbraw/zinc/53/83/46/607538346.db2.gz NXCSPZCJKHPEQM-KGLIPLIRSA-N -1 3 371.401 0.580 20 50 FCGDHM O=C(NNC(=O)N1CC[C@H]([C@@H]2CCOC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444629 607538368 /nfs/dbraw/zinc/53/83/68/607538368.db2.gz NXCSPZCJKHPEQM-UONOGXRCSA-N -1 3 371.401 0.580 20 50 FCGDHM O=C(NNC(=O)N1CC[C@H]([C@@H]2CCOC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444629 607538369 /nfs/dbraw/zinc/53/83/69/607538369.db2.gz NXCSPZCJKHPEQM-UONOGXRCSA-N -1 3 371.401 0.580 20 50 FCGDHM C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824754715 607682218 /nfs/dbraw/zinc/68/22/18/607682218.db2.gz JPJJKEYBGONXMG-QMMMGPOBSA-N -1 3 359.321 0.562 20 50 FCGDHM C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824754715 607682219 /nfs/dbraw/zinc/68/22/19/607682219.db2.gz JPJJKEYBGONXMG-QMMMGPOBSA-N -1 3 359.321 0.562 20 50 FCGDHM Cc1ccc(OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1C ZINC000826292129 607682999 /nfs/dbraw/zinc/68/29/99/607682999.db2.gz JJBRZJQYDRUDPB-UHFFFAOYSA-N -1 3 355.358 0.652 20 50 FCGDHM Cc1ccc(OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1C ZINC000826292129 607683001 /nfs/dbraw/zinc/68/30/01/607683001.db2.gz JJBRZJQYDRUDPB-UHFFFAOYSA-N -1 3 355.358 0.652 20 50 FCGDHM O=C(Cn1cnc2sccc2c1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826425588 607712589 /nfs/dbraw/zinc/71/25/89/607712589.db2.gz KLFFMHUHHVEFTL-UHFFFAOYSA-N -1 3 368.382 0.781 20 50 FCGDHM O=C(Cn1cnc2sccc2c1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826425588 607712591 /nfs/dbraw/zinc/71/25/91/607712591.db2.gz KLFFMHUHHVEFTL-UHFFFAOYSA-N -1 3 368.382 0.781 20 50 FCGDHM O=C(CN1C(=O)COc2ccccc21)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409724 607726405 /nfs/dbraw/zinc/72/64/05/607726405.db2.gz MKSNNTVFZBDMPY-UHFFFAOYSA-N -1 3 365.353 0.735 20 50 FCGDHM O=C(CN1C(=O)COc2ccccc21)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409724 607726407 /nfs/dbraw/zinc/72/64/07/607726407.db2.gz MKSNNTVFZBDMPY-UHFFFAOYSA-N -1 3 365.353 0.735 20 50 FCGDHM COC(=O)[C@@H](NNC(=O)c1ncccc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000826111264 607784961 /nfs/dbraw/zinc/78/49/61/607784961.db2.gz BZILLEGRPHAVFP-AWEZNQCLSA-N -1 3 367.369 0.719 20 50 FCGDHM COC(=O)[C@@H](NNC(=O)c1ncccc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000826111264 607784962 /nfs/dbraw/zinc/78/49/62/607784962.db2.gz BZILLEGRPHAVFP-AWEZNQCLSA-N -1 3 367.369 0.719 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC[C@H](O)CC2)cc(-c2nnn[n-]2)n1C ZINC000826236055 607808626 /nfs/dbraw/zinc/80/86/26/607808626.db2.gz XJAPMJPGUKUJOL-XQQOMCNGSA-N -1 3 355.402 0.840 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC[C@H](O)CC2)cc(-c2nn[n-]n2)n1C ZINC000826236055 607808627 /nfs/dbraw/zinc/80/86/27/607808627.db2.gz XJAPMJPGUKUJOL-XQQOMCNGSA-N -1 3 355.402 0.840 20 50 FCGDHM C[C@H]1OCC[C@@H]1SCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825020208 607845433 /nfs/dbraw/zinc/84/54/33/607845433.db2.gz JLISFMBMAFDFMA-SKDRFNHKSA-N -1 3 362.415 0.538 20 50 FCGDHM C[C@H]1OCC[C@@H]1SCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825020208 607845434 /nfs/dbraw/zinc/84/54/34/607845434.db2.gz JLISFMBMAFDFMA-SKDRFNHKSA-N -1 3 362.415 0.538 20 50 FCGDHM O=C(CN1CC[C@@H](C(F)F)C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826410205 608044668 /nfs/dbraw/zinc/04/46/68/608044668.db2.gz GIWQUHPYYDYIFV-LLVKDONJSA-N -1 3 365.344 0.215 20 50 FCGDHM O=C(CN1CC[C@@H](C(F)F)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410205 608044669 /nfs/dbraw/zinc/04/46/69/608044669.db2.gz GIWQUHPYYDYIFV-LLVKDONJSA-N -1 3 365.344 0.215 20 50 FCGDHM CC[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C[C@@H]1O ZINC000825205027 608077933 /nfs/dbraw/zinc/07/79/33/608077933.db2.gz UZDVEGGGPLKNMU-NURKGEAVSA-N -1 3 355.402 0.650 20 50 FCGDHM CC[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C[C@@H]1O ZINC000825205027 608077934 /nfs/dbraw/zinc/07/79/34/608077934.db2.gz UZDVEGGGPLKNMU-NURKGEAVSA-N -1 3 355.402 0.650 20 50 FCGDHM COc1ccccc1SCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826220796 608090223 /nfs/dbraw/zinc/09/02/23/608090223.db2.gz AMRDRIAPWJGTHE-UHFFFAOYSA-N -1 3 373.398 0.757 20 50 FCGDHM COc1ccccc1SCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826220796 608090224 /nfs/dbraw/zinc/09/02/24/608090224.db2.gz AMRDRIAPWJGTHE-UHFFFAOYSA-N -1 3 373.398 0.757 20 50 FCGDHM CCN(CCC(=O)OC)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825419178 608193860 /nfs/dbraw/zinc/19/38/60/608193860.db2.gz JRQHGLCIXUZOJP-MDWZMJQESA-N -1 3 371.401 0.832 20 50 FCGDHM CCN(CCC(=O)OC)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825419178 608193862 /nfs/dbraw/zinc/19/38/62/608193862.db2.gz JRQHGLCIXUZOJP-MDWZMJQESA-N -1 3 371.401 0.832 20 50 FCGDHM CCN(CC(=O)OC)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825399305 608198619 /nfs/dbraw/zinc/19/86/19/608198619.db2.gz PBWOEFLMEREGPW-SDQBBNPISA-N -1 3 357.374 0.442 20 50 FCGDHM CCN(CC(=O)OC)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825399305 608198621 /nfs/dbraw/zinc/19/86/21/608198621.db2.gz PBWOEFLMEREGPW-SDQBBNPISA-N -1 3 357.374 0.442 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000826235792 608199852 /nfs/dbraw/zinc/19/98/52/608199852.db2.gz RHPDNKKJMQOCDN-JBBDPAKISA-N -1 3 355.402 0.962 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000826235792 608199854 /nfs/dbraw/zinc/19/98/54/608199854.db2.gz RHPDNKKJMQOCDN-JBBDPAKISA-N -1 3 355.402 0.962 20 50 FCGDHM C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC000824894309 608404687 /nfs/dbraw/zinc/40/46/87/608404687.db2.gz XYCNXQRUQAWMBV-DDFAGTSDSA-N -1 3 359.390 0.767 20 50 FCGDHM C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H](C)O1 ZINC000824894309 608404689 /nfs/dbraw/zinc/40/46/89/608404689.db2.gz XYCNXQRUQAWMBV-DDFAGTSDSA-N -1 3 359.390 0.767 20 50 FCGDHM CC(C)[C@H](O)C1(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824199117 608589569 /nfs/dbraw/zinc/58/95/69/608589569.db2.gz HXJMVLSZBUCBJB-ZDUSSCGKSA-N -1 3 373.417 0.608 20 50 FCGDHM CC(C)[C@H](O)C1(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824199117 608589571 /nfs/dbraw/zinc/58/95/71/608589571.db2.gz HXJMVLSZBUCBJB-ZDUSSCGKSA-N -1 3 373.417 0.608 20 50 FCGDHM COCCO[C@H](C)C(=O)NN=C(C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826160581 609160644 /nfs/dbraw/zinc/16/06/44/609160644.db2.gz XUCNBYWHBQBTCJ-SNVBAGLBSA-N -1 3 350.354 0.898 20 50 FCGDHM COCCO[C@H](C)C(=O)NN=C(C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826160581 609160645 /nfs/dbraw/zinc/16/06/45/609160645.db2.gz XUCNBYWHBQBTCJ-SNVBAGLBSA-N -1 3 350.354 0.898 20 50 FCGDHM N#Cc1ccc(C(=O)NNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826384043 609216497 /nfs/dbraw/zinc/21/64/97/609216497.db2.gz DHSVCNYIOQVGPM-AWEZNQCLSA-N -1 3 363.337 0.233 20 50 FCGDHM N#Cc1ccc(C(=O)NNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826384043 609216499 /nfs/dbraw/zinc/21/64/99/609216499.db2.gz DHSVCNYIOQVGPM-AWEZNQCLSA-N -1 3 363.337 0.233 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)Cc2ncon2)cc(-c2nnn[n-]2)n1C ZINC000826235546 609297001 /nfs/dbraw/zinc/29/70/01/609297001.db2.gz LRCBKGOHUOFPSD-WCIBSUBMSA-N -1 3 353.346 0.462 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)Cc2ncon2)cc(-c2nn[n-]n2)n1C ZINC000826235546 609297002 /nfs/dbraw/zinc/29/70/02/609297002.db2.gz LRCBKGOHUOFPSD-WCIBSUBMSA-N -1 3 353.346 0.462 20 50 FCGDHM CC(=NNC(=O)COc1ccccc1-c1nnn[n-]1)c1cnn(C)c1C ZINC000823948060 609409509 /nfs/dbraw/zinc/40/95/09/609409509.db2.gz CEMJPCSDPXAYFG-UHFFFAOYSA-N -1 3 354.374 0.828 20 50 FCGDHM CC(=NNC(=O)COc1ccccc1-c1nn[n-]n1)c1cnn(C)c1C ZINC000823948060 609409511 /nfs/dbraw/zinc/40/95/11/609409511.db2.gz CEMJPCSDPXAYFG-UHFFFAOYSA-N -1 3 354.374 0.828 20 50 FCGDHM CC(C)(C)C[C@H](CO)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824078918 609443547 /nfs/dbraw/zinc/44/35/47/609443547.db2.gz LIRXKRZHZQTPAU-GFCCVEGCSA-N -1 3 361.406 0.608 20 50 FCGDHM CC(C)(C)C[C@H](CO)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824078918 609443549 /nfs/dbraw/zinc/44/35/49/609443549.db2.gz LIRXKRZHZQTPAU-GFCCVEGCSA-N -1 3 361.406 0.608 20 50 FCGDHM CC/C(C)=C(\C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825050359 609638974 /nfs/dbraw/zinc/63/89/74/609638974.db2.gz IHIFZZRQAGLYAS-ZHACJKMWSA-N -1 3 372.385 0.917 20 50 FCGDHM CC/C(C)=C(\C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825050359 609638975 /nfs/dbraw/zinc/63/89/75/609638975.db2.gz IHIFZZRQAGLYAS-ZHACJKMWSA-N -1 3 372.385 0.917 20 50 FCGDHM CC[C@H](C)[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825051904 609642164 /nfs/dbraw/zinc/64/21/64/609642164.db2.gz ULLPQBUUTIBLMZ-WDEREUQCSA-N -1 3 374.401 0.853 20 50 FCGDHM CC[C@H](C)[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825051904 609642166 /nfs/dbraw/zinc/64/21/66/609642166.db2.gz ULLPQBUUTIBLMZ-WDEREUQCSA-N -1 3 374.401 0.853 20 50 FCGDHM Cc1n[nH]cc1C(=O)NNC(=O)[C@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737451796 945070241 /nfs/dbraw/zinc/07/02/41/945070241.db2.gz BYKVWJWZAWUDEE-VIFPVBQESA-N -1 3 356.346 0.127 20 50 FCGDHM Cc1nc2n(n1)C[C@H](NC(=O)NNc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000737489292 945082817 /nfs/dbraw/zinc/08/28/17/945082817.db2.gz HRABICBTKSXEHJ-GFCCVEGCSA-N -1 3 354.378 0.408 20 50 FCGDHM Cc1nc2n(n1)C[C@H](NC(=O)NNc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000737489292 945082827 /nfs/dbraw/zinc/08/28/27/945082827.db2.gz HRABICBTKSXEHJ-GFCCVEGCSA-N -1 3 354.378 0.408 20 50 FCGDHM Cc1noc([C@@H](C)NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737532619 945089515 /nfs/dbraw/zinc/08/95/15/945089515.db2.gz CKOQYKMFRWMVML-SSDOTTSWSA-N -1 3 357.334 0.263 20 50 FCGDHM Cc1noc([C@@H](C)NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737532619 945089523 /nfs/dbraw/zinc/08/95/23/945089523.db2.gz CKOQYKMFRWMVML-SSDOTTSWSA-N -1 3 357.334 0.263 20 50 FCGDHM Cc1nonc1CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000737548532 945093467 /nfs/dbraw/zinc/09/34/67/945093467.db2.gz SSLKCYOCORIAIG-NYYWCZLTSA-N -1 3 353.346 0.428 20 50 FCGDHM Cc1nonc1CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000737548532 945093480 /nfs/dbraw/zinc/09/34/80/945093480.db2.gz SSLKCYOCORIAIG-NYYWCZLTSA-N -1 3 353.346 0.428 20 50 FCGDHM Cn1c(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1[N+](=O)[O-] ZINC000737594747 945099013 /nfs/dbraw/zinc/09/90/13/945099013.db2.gz WZXWIUUUMCYKMR-UHFFFAOYSA-N -1 3 356.302 0.188 20 50 FCGDHM Cn1c(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1[N+](=O)[O-] ZINC000737594747 945099020 /nfs/dbraw/zinc/09/90/20/945099020.db2.gz WZXWIUUUMCYKMR-UHFFFAOYSA-N -1 3 356.302 0.188 20 50 FCGDHM N#Cc1ccc(C(=O)NN[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737713569 945115282 /nfs/dbraw/zinc/11/52/82/945115282.db2.gz ZATFJBHKSGLBLV-CQSZACIVSA-N -1 3 362.353 0.199 20 50 FCGDHM N#Cc1ccc(C(=O)NN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737713569 945115286 /nfs/dbraw/zinc/11/52/86/945115286.db2.gz ZATFJBHKSGLBLV-CQSZACIVSA-N -1 3 362.353 0.199 20 50 FCGDHM O=C(CC[C@@H]1CCCCO1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737823563 945131512 /nfs/dbraw/zinc/13/15/12/945131512.db2.gz JCOHALIIACMTIK-ZDUSSCGKSA-N -1 3 374.401 0.742 20 50 FCGDHM O=C(CCc1ccccc1O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737857919 945141276 /nfs/dbraw/zinc/14/12/76/945141276.db2.gz XFRZZEIUWHULJK-UHFFFAOYSA-N -1 3 352.354 0.966 20 50 FCGDHM O=C(CCc1ccccc1O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737857919 945141279 /nfs/dbraw/zinc/14/12/79/945141279.db2.gz XFRZZEIUWHULJK-UHFFFAOYSA-N -1 3 352.354 0.966 20 50 FCGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNc1ccc(Cl)nn1 ZINC000737890817 945146930 /nfs/dbraw/zinc/14/69/30/945146930.db2.gz YSFLAYPELHWBFD-UHFFFAOYSA-N -1 3 373.764 0.183 20 50 FCGDHM O=C(NNC(=O)c1cccc2c1OCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000738134034 945215335 /nfs/dbraw/zinc/21/53/35/945215335.db2.gz DCBMJXVKHOHOIA-UHFFFAOYSA-N -1 3 352.310 0.670 20 50 FCGDHM O=C(NNc1c(F)c(F)nc(F)c1F)c1ccc(-c2nnn[n-]2)cn1 ZINC000738134896 945224166 /nfs/dbraw/zinc/22/41/66/945224166.db2.gz XYJXASGRSPBCRE-UHFFFAOYSA-N -1 3 354.227 0.970 20 50 FCGDHM O=C(NNc1c(F)c(F)nc(F)c1F)c1ccc(-c2nn[n-]n2)cn1 ZINC000738134896 945224175 /nfs/dbraw/zinc/22/41/75/945224175.db2.gz XYJXASGRSPBCRE-UHFFFAOYSA-N -1 3 354.227 0.970 20 50 FCGDHM C#CCNC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000819701447 945272418 /nfs/dbraw/zinc/27/24/18/945272418.db2.gz HTOPTESRMAVCNA-DELQEKLWSA-N -1 3 367.369 0.102 20 50 FCGDHM C#CCNC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000819701447 945272426 /nfs/dbraw/zinc/27/24/26/945272426.db2.gz HTOPTESRMAVCNA-DELQEKLWSA-N -1 3 367.369 0.102 20 50 FCGDHM C=CCCCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819734311 945274666 /nfs/dbraw/zinc/27/46/66/945274666.db2.gz LMRUESJXFTZTQF-UHFFFAOYSA-N -1 3 358.358 0.527 20 50 FCGDHM C=CCCCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819734311 945274670 /nfs/dbraw/zinc/27/46/70/945274670.db2.gz LMRUESJXFTZTQF-UHFFFAOYSA-N -1 3 358.358 0.527 20 50 FCGDHM CC(=NNC(=O)C(=O)Nc1ccccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000819773171 945287412 /nfs/dbraw/zinc/28/74/12/945287412.db2.gz QOPUHJPEVFJSLY-UHFFFAOYSA-N -1 3 350.342 0.741 20 50 FCGDHM CC(=NNC(=O)C(=O)Nc1ccccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000819773171 945287418 /nfs/dbraw/zinc/28/74/18/945287418.db2.gz QOPUHJPEVFJSLY-UHFFFAOYSA-N -1 3 350.342 0.741 20 50 FCGDHM CC(C)(C)/C=C/C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819908273 945311325 /nfs/dbraw/zinc/31/13/25/945311325.db2.gz YWAWJBJFLDBMBL-CMDGGOBGSA-N -1 3 372.385 0.773 20 50 FCGDHM CC(C)(C)/C=C/C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819908273 945311331 /nfs/dbraw/zinc/31/13/31/945311331.db2.gz YWAWJBJFLDBMBL-CMDGGOBGSA-N -1 3 372.385 0.773 20 50 FCGDHM CC(C)(C)/C=C\C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819908274 945312690 /nfs/dbraw/zinc/31/26/90/945312690.db2.gz YWAWJBJFLDBMBL-HJWRWDBZSA-N -1 3 372.385 0.773 20 50 FCGDHM CC(C)(C)/C=C\C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819908274 945312699 /nfs/dbraw/zinc/31/26/99/945312699.db2.gz YWAWJBJFLDBMBL-HJWRWDBZSA-N -1 3 372.385 0.773 20 50 FCGDHM CC(C)(C)C(=O)NNC(=O)N1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735589243 944676701 /nfs/dbraw/zinc/67/67/01/944676701.db2.gz JQKLUZANQMPOAY-UHFFFAOYSA-N -1 3 373.421 0.171 20 50 FCGDHM CC(C)(C)C(=O)NNC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735589243 944676706 /nfs/dbraw/zinc/67/67/06/944676706.db2.gz JQKLUZANQMPOAY-UHFFFAOYSA-N -1 3 373.421 0.171 20 50 FCGDHM CC(C)(C)C[C@H](O)CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735604379 944679099 /nfs/dbraw/zinc/67/90/99/944679099.db2.gz VOJXNHMCOINDTL-LBPRGKRZSA-N -1 3 361.406 0.608 20 50 FCGDHM CC(C)(C)C[C@H](O)CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735604379 944679108 /nfs/dbraw/zinc/67/91/08/944679108.db2.gz VOJXNHMCOINDTL-LBPRGKRZSA-N -1 3 361.406 0.608 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC000736119965 944745983 /nfs/dbraw/zinc/74/59/83/944745983.db2.gz XHGKQNWMKBJMMJ-JTQLQIEISA-N -1 3 352.358 0.967 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC000736119965 944745994 /nfs/dbraw/zinc/74/59/94/944745994.db2.gz XHGKQNWMKBJMMJ-JTQLQIEISA-N -1 3 352.358 0.967 20 50 FCGDHM C[C@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736263817 944782279 /nfs/dbraw/zinc/78/22/79/944782279.db2.gz SRVKYTPJNAKXGI-JQWIXIFHSA-N -1 3 359.390 0.765 20 50 FCGDHM C[C@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736263817 944782290 /nfs/dbraw/zinc/78/22/90/944782290.db2.gz SRVKYTPJNAKXGI-JQWIXIFHSA-N -1 3 359.390 0.765 20 50 FCGDHM C[C@H]1CN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC(C)(C)O1 ZINC000736282545 944786661 /nfs/dbraw/zinc/78/66/61/944786661.db2.gz YLVQBRXUJVPKIU-JTQLQIEISA-N -1 3 359.390 0.720 20 50 FCGDHM C[C@H]1CN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC(C)(C)O1 ZINC000736282545 944786669 /nfs/dbraw/zinc/78/66/69/944786669.db2.gz YLVQBRXUJVPKIU-JTQLQIEISA-N -1 3 359.390 0.720 20 50 FCGDHM CC[C@@H](C)NC(=O)CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736327664 944802939 /nfs/dbraw/zinc/80/29/39/944802939.db2.gz RXTHNUYRZCKVSN-SNVBAGLBSA-N -1 3 374.405 0.116 20 50 FCGDHM CC[C@@H](C)NC(=O)CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736327664 944802943 /nfs/dbraw/zinc/80/29/43/944802943.db2.gz RXTHNUYRZCKVSN-SNVBAGLBSA-N -1 3 374.405 0.116 20 50 FCGDHM CC[C@H](COC)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736351769 944807589 /nfs/dbraw/zinc/80/75/89/944807589.db2.gz GXSNQJJHPNYFBL-LLVKDONJSA-N -1 3 363.378 0.001 20 50 FCGDHM CCCCNC(=O)NNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736460664 944826145 /nfs/dbraw/zinc/82/61/45/944826145.db2.gz JQTAWRCTWZOEGO-CQSZACIVSA-N -1 3 372.433 0.966 20 50 FCGDHM CCOCCCNC(=O)C(C#N)=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000736617645 944856946 /nfs/dbraw/zinc/85/69/46/944856946.db2.gz ZQNOZEKVFLBMOW-JYRVWZFOSA-N -1 3 366.385 0.964 20 50 FCGDHM CCOCCCNC(=O)C(C#N)=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000736617645 944856951 /nfs/dbraw/zinc/85/69/51/944856951.db2.gz ZQNOZEKVFLBMOW-JYRVWZFOSA-N -1 3 366.385 0.964 20 50 FCGDHM CN(C)C(=O)[C@@H](NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736747897 944882065 /nfs/dbraw/zinc/88/20/65/944882065.db2.gz TYUNMQBSWADUMV-HNNXBMFYSA-N -1 3 365.397 0.931 20 50 FCGDHM CN(C)C(=O)[C@@H](NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736747897 944882067 /nfs/dbraw/zinc/88/20/67/944882067.db2.gz TYUNMQBSWADUMV-HNNXBMFYSA-N -1 3 365.397 0.931 20 50 FCGDHM COC(=O)[C@H](NNC(=O)c1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899192 944907742 /nfs/dbraw/zinc/90/77/42/944907742.db2.gz UGTGNQBTTITHNQ-CYBMUJFWSA-N -1 3 353.342 0.410 20 50 FCGDHM COC(=O)[C@H](NNC(=O)c1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899192 944907753 /nfs/dbraw/zinc/90/77/53/944907753.db2.gz UGTGNQBTTITHNQ-CYBMUJFWSA-N -1 3 353.342 0.410 20 50 FCGDHM COCCCNC(=O)C(C#N)=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000736986498 944926396 /nfs/dbraw/zinc/92/63/96/944926396.db2.gz MSAPVNIQLAGJMR-GHXNOFRVSA-N -1 3 352.358 0.574 20 50 FCGDHM COCCCNC(=O)C(C#N)=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000736986498 944926406 /nfs/dbraw/zinc/92/64/06/944926406.db2.gz MSAPVNIQLAGJMR-GHXNOFRVSA-N -1 3 352.358 0.574 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2ccc(=O)[nH]c2)cc(-c2nnn[n-]2)n1C ZINC000737213064 944998013 /nfs/dbraw/zinc/99/80/13/944998013.db2.gz QGZRCEJQAPXSRJ-WLRTZDKTSA-N -1 3 364.369 0.838 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2ccc(=O)[nH]c2)cc(-c2nn[n-]n2)n1C ZINC000737213064 944998019 /nfs/dbraw/zinc/99/80/19/944998019.db2.gz QGZRCEJQAPXSRJ-WLRTZDKTSA-N -1 3 364.369 0.838 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2ccc(=O)[nH]c2)cc(-c2nnn[n-]2)n1C ZINC000737213063 944999268 /nfs/dbraw/zinc/99/92/68/944999268.db2.gz QGZRCEJQAPXSRJ-ACAGNQJTSA-N -1 3 364.369 0.838 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2ccc(=O)[nH]c2)cc(-c2nn[n-]n2)n1C ZINC000737213063 944999274 /nfs/dbraw/zinc/99/92/74/944999274.db2.gz QGZRCEJQAPXSRJ-ACAGNQJTSA-N -1 3 364.369 0.838 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)c2nncn2C)cc(-c2nnn[n-]2)n1C ZINC000737213703 945006853 /nfs/dbraw/zinc/00/68/53/945006853.db2.gz VZZFJVMZDKVYPK-JOZRWXFHSA-N -1 3 366.389 0.427 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)c2nncn2C)cc(-c2nn[n-]n2)n1C ZINC000737213703 945006862 /nfs/dbraw/zinc/00/68/62/945006862.db2.gz VZZFJVMZDKVYPK-JOZRWXFHSA-N -1 3 366.389 0.427 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCC(=O)N(C)C2)cc(-c2nnn[n-]2)n1C ZINC000737213997 945010068 /nfs/dbraw/zinc/01/00/68/945010068.db2.gz ZLWNETDZWCYKON-MVXISAMASA-N -1 3 368.401 0.158 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCC(=O)N(C)C2)cc(-c2nn[n-]n2)n1C ZINC000737213997 945010082 /nfs/dbraw/zinc/01/00/82/945010082.db2.gz ZLWNETDZWCYKON-MVXISAMASA-N -1 3 368.401 0.158 20 50 FCGDHM Cc1cc(C)n([C@@H](C)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000737257142 945022890 /nfs/dbraw/zinc/02/28/90/945022890.db2.gz RBQWNNUGFPLDQW-NSHDSACASA-N -1 3 354.374 0.702 20 50 FCGDHM Cc1cc(C)n([C@@H](C)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000737257142 945022907 /nfs/dbraw/zinc/02/29/07/945022907.db2.gz RBQWNNUGFPLDQW-NSHDSACASA-N -1 3 354.374 0.702 20 50 FCGDHM Cc1cc(C)n([C@H](C)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000737257141 945023340 /nfs/dbraw/zinc/02/33/40/945023340.db2.gz RBQWNNUGFPLDQW-LLVKDONJSA-N -1 3 354.374 0.702 20 50 FCGDHM Cc1cc(C)n([C@H](C)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000737257141 945023350 /nfs/dbraw/zinc/02/33/50/945023350.db2.gz RBQWNNUGFPLDQW-LLVKDONJSA-N -1 3 354.374 0.702 20 50 FCGDHM C[C@@H](O)[C@@H](C)SCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820467874 945460002 /nfs/dbraw/zinc/46/00/02/945460002.db2.gz NRAPPXNUTFGQAV-RKDXNWHRSA-N -1 3 350.404 0.130 20 50 FCGDHM C[C@@H](O)[C@@H](C)SCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820467874 945460005 /nfs/dbraw/zinc/46/00/05/945460005.db2.gz NRAPPXNUTFGQAV-RKDXNWHRSA-N -1 3 350.404 0.130 20 50 FCGDHM CC[C@@H](NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)C(=O)OC ZINC000820914264 945586827 /nfs/dbraw/zinc/58/68/27/945586827.db2.gz NITUPXUZCRBPLY-IGEMTJHASA-N -1 3 357.374 0.488 20 50 FCGDHM CC[C@@H](NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C(=O)OC ZINC000820914264 945586835 /nfs/dbraw/zinc/58/68/35/945586835.db2.gz NITUPXUZCRBPLY-IGEMTJHASA-N -1 3 357.374 0.488 20 50 FCGDHM CC[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H](C)O1 ZINC000820995199 945609962 /nfs/dbraw/zinc/60/99/62/945609962.db2.gz NZMXXZSHJBVEHJ-BXUZGUMPSA-N -1 3 373.417 0.127 20 50 FCGDHM CC[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H](C)O1 ZINC000820995199 945609967 /nfs/dbraw/zinc/60/99/67/945609967.db2.gz NZMXXZSHJBVEHJ-BXUZGUMPSA-N -1 3 373.417 0.127 20 50 FCGDHM CCC[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821014736 945614855 /nfs/dbraw/zinc/61/48/55/945614855.db2.gz KLRZOCAUYKZCPH-SNVBAGLBSA-N -1 3 360.374 0.607 20 50 FCGDHM CCC[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821014736 945614857 /nfs/dbraw/zinc/61/48/57/945614857.db2.gz KLRZOCAUYKZCPH-SNVBAGLBSA-N -1 3 360.374 0.607 20 50 FCGDHM CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000821034186 945619136 /nfs/dbraw/zinc/61/91/36/945619136.db2.gz IMSJJKWUDLUARX-ZYHUDNBSSA-N -1 3 359.390 0.765 20 50 FCGDHM CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000821034186 945619143 /nfs/dbraw/zinc/61/91/43/945619143.db2.gz IMSJJKWUDLUARX-ZYHUDNBSSA-N -1 3 359.390 0.765 20 50 FCGDHM CCCC1(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821028095 945619432 /nfs/dbraw/zinc/61/94/32/945619432.db2.gz UMSDYBYLUSFZBK-UHFFFAOYSA-N -1 3 372.385 0.751 20 50 FCGDHM CCCC1(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821028095 945619437 /nfs/dbraw/zinc/61/94/37/945619437.db2.gz UMSDYBYLUSFZBK-UHFFFAOYSA-N -1 3 372.385 0.751 20 50 FCGDHM CN(CCCn1ccnc1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821601496 945736889 /nfs/dbraw/zinc/73/68/89/945736889.db2.gz KOHLZXRRDIUMQS-UHFFFAOYSA-N -1 3 369.389 0.440 20 50 FCGDHM COC(=O)[C@@H](NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccnc1 ZINC000821644876 945770556 /nfs/dbraw/zinc/77/05/56/945770556.db2.gz LLDCGRPTZZPZMC-ZDUSSCGKSA-N -1 3 353.342 0.410 20 50 FCGDHM COC(=O)[C@@H](NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccnc1 ZINC000821644876 945770561 /nfs/dbraw/zinc/77/05/61/945770561.db2.gz LLDCGRPTZZPZMC-ZDUSSCGKSA-N -1 3 353.342 0.410 20 50 FCGDHM COCc1nc(C=NNC(=O)COc2ccccc2-c2nnn[n-]2)cs1 ZINC000821696094 945831497 /nfs/dbraw/zinc/83/14/97/945831497.db2.gz WAUZJCKJLFUNRX-UHFFFAOYSA-N -1 3 373.398 0.999 20 50 FCGDHM COCc1nc(C=NNC(=O)COc2ccccc2-c2nn[n-]n2)cs1 ZINC000821696094 945831508 /nfs/dbraw/zinc/83/15/08/945831508.db2.gz WAUZJCKJLFUNRX-UHFFFAOYSA-N -1 3 373.398 0.999 20 50 FCGDHM COc1ccccc1OCC(=O)NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821904728 945902756 /nfs/dbraw/zinc/90/27/56/945902756.db2.gz YQIKFLUWNDCSHB-UHFFFAOYSA-N -1 3 357.330 0.043 20 50 FCGDHM COc1ccccc1OCC(=O)NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821904728 945902768 /nfs/dbraw/zinc/90/27/68/945902768.db2.gz YQIKFLUWNDCSHB-UHFFFAOYSA-N -1 3 357.330 0.043 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)CC(C)C)cc(-c2nnn[n-]2)n1C ZINC000822029262 945951363 /nfs/dbraw/zinc/95/13/63/945951363.db2.gz WQZOMUGCSKIUHA-XMRSSTEGSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)CC(C)C)cc(-c2nn[n-]n2)n1C ZINC000822029262 945951368 /nfs/dbraw/zinc/95/13/68/945951368.db2.gz WQZOMUGCSKIUHA-XMRSSTEGSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000822226218 946004972 /nfs/dbraw/zinc/00/49/72/946004972.db2.gz IGRPLYYXYYQTDC-UHFFFAOYSA-N -1 3 369.341 0.121 20 50 FCGDHM Cc1ccc(C(=O)NNC(=O)COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000822226218 946004986 /nfs/dbraw/zinc/00/49/86/946004986.db2.gz IGRPLYYXYYQTDC-UHFFFAOYSA-N -1 3 369.341 0.121 20 50 FCGDHM Cc1nnc([C@@H](C)NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)o1 ZINC000822510243 946109212 /nfs/dbraw/zinc/10/92/12/946109212.db2.gz KGALDYHORKBVQG-HRRMIQFSSA-N -1 3 367.373 0.989 20 50 FCGDHM Cc1nnc([C@@H](C)NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)o1 ZINC000822510243 946109221 /nfs/dbraw/zinc/10/92/21/946109221.db2.gz KGALDYHORKBVQG-HRRMIQFSSA-N -1 3 367.373 0.989 20 50 FCGDHM O=C(CC[C@H]1CCOC1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822950660 946232145 /nfs/dbraw/zinc/23/21/45/946232145.db2.gz WSYLJUADKJBZDX-NSHDSACASA-N -1 3 360.374 0.210 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1ccncc1 ZINC000823037535 946288597 /nfs/dbraw/zinc/28/85/97/946288597.db2.gz ZKRPKEOQEHGXKP-UHFFFAOYSA-N -1 3 353.342 0.031 20 50 FCGDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NNC(=O)c1ccoc1 ZINC000823215759 946346716 /nfs/dbraw/zinc/34/67/16/946346716.db2.gz STTOOXYKRIZJOW-UHFFFAOYSA-N -1 3 357.330 0.483 20 50 FCGDHM O=C(NCCS(=O)(=O)CC1CC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823219964 946349097 /nfs/dbraw/zinc/34/90/97/946349097.db2.gz VLZXFIYGGRQWHW-UHFFFAOYSA-N -1 3 365.419 0.318 20 50 FCGDHM O=C(NCCS(=O)(=O)CC1CC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823219964 946349107 /nfs/dbraw/zinc/34/91/07/946349107.db2.gz VLZXFIYGGRQWHW-UHFFFAOYSA-N -1 3 365.419 0.318 20 50 FCGDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NNC(=O)C1CCCC1 ZINC000823216089 946349784 /nfs/dbraw/zinc/34/97/84/946349784.db2.gz ZUBGYZDOOIGWAJ-UHFFFAOYSA-N -1 3 359.390 0.766 20 50 FCGDHM C[C@@H]1CC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824908918 946988372 /nfs/dbraw/zinc/98/83/72/946988372.db2.gz ROSLNYJTGIKMPD-ZWNOBZJWSA-N -1 3 372.385 0.607 20 50 FCGDHM C[C@@H]1CC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824908918 946988375 /nfs/dbraw/zinc/98/83/75/946988375.db2.gz ROSLNYJTGIKMPD-ZWNOBZJWSA-N -1 3 372.385 0.607 20 50 FCGDHM CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000825107514 947081195 /nfs/dbraw/zinc/08/11/95/947081195.db2.gz PQCVVVUDDWOTHE-UHFFFAOYSA-N -1 3 359.390 0.241 20 50 FCGDHM CCC(CC)NC(=O)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000825107514 947081204 /nfs/dbraw/zinc/08/12/04/947081204.db2.gz PQCVVVUDDWOTHE-UHFFFAOYSA-N -1 3 359.390 0.241 20 50 FCGDHM CO[C@@H]1[C@H](C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1(C)C ZINC000826144585 947457276 /nfs/dbraw/zinc/45/72/76/947457276.db2.gz MUSQMUHKUIMSOZ-JIMOISOXSA-N -1 3 373.417 0.870 20 50 FCGDHM CO[C@@H]1[C@H](C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC000826144585 947457281 /nfs/dbraw/zinc/45/72/81/947457281.db2.gz MUSQMUHKUIMSOZ-JIMOISOXSA-N -1 3 373.417 0.870 20 50 FCGDHM CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1(C)C ZINC000826144586 947457493 /nfs/dbraw/zinc/45/74/93/947457493.db2.gz MUSQMUHKUIMSOZ-OASPWFOLSA-N -1 3 373.417 0.870 20 50 FCGDHM CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC000826144586 947457509 /nfs/dbraw/zinc/45/75/09/947457509.db2.gz MUSQMUHKUIMSOZ-OASPWFOLSA-N -1 3 373.417 0.870 20 50 FCGDHM Nc1nc(Cl)cc(=NNC(=O)COc2ccccc2-c2nnn[n-]2)[nH]1 ZINC000826395971 948205963 /nfs/dbraw/zinc/20/59/63/948205963.db2.gz ARDZXNGLOIDAJD-UHFFFAOYSA-N -1 3 361.753 0.414 20 50 FCGDHM Nc1nc(Cl)cc(=NNC(=O)COc2ccccc2-c2nn[n-]n2)[nH]1 ZINC000826395971 948205974 /nfs/dbraw/zinc/20/59/74/948205974.db2.gz ARDZXNGLOIDAJD-UHFFFAOYSA-N -1 3 361.753 0.414 20 50 FCGDHM O=S(=O)(CBr)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000826484861 948399488 /nfs/dbraw/zinc/39/94/88/948399488.db2.gz RNHZSOWIRIKLJA-UHFFFAOYSA-N -1 3 350.173 0.778 20 50 FCGDHM O=S(=O)(CBr)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000826484861 948399497 /nfs/dbraw/zinc/39/94/97/948399497.db2.gz RNHZSOWIRIKLJA-UHFFFAOYSA-N -1 3 350.173 0.778 20 50 FCGDHM CN1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C[C@H](C(=O)[O-])C1 ZINC001598616343 993887709 /nfs/dbraw/zinc/88/77/09/993887709.db2.gz QMZLCTRKIKJOHQ-GFCCVEGCSA-N -1 3 368.821 0.049 20 50 FCGDHM CCC(=O)N[C@H](CCSC)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825034396 607335347 /nfs/dbraw/zinc/33/53/47/607335347.db2.gz JMSUQMMGNISRAJ-GFCCVEGCSA-N -1 3 363.447 0.958 20 50 FCGDHM CCC(=O)N[C@H](CCSC)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825034396 607335348 /nfs/dbraw/zinc/33/53/48/607335348.db2.gz JMSUQMMGNISRAJ-GFCCVEGCSA-N -1 3 363.447 0.958 20 50 FCGDHM O=C(Cn1c(=O)cnc2ccccc21)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826424281 607336011 /nfs/dbraw/zinc/33/60/11/607336011.db2.gz DTFPJNLBOPEVKI-UHFFFAOYSA-N -1 3 362.353 0.720 20 50 FCGDHM O=C(Cn1c(=O)cnc2ccccc21)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826424281 607336013 /nfs/dbraw/zinc/33/60/13/607336013.db2.gz DTFPJNLBOPEVKI-UHFFFAOYSA-N -1 3 362.353 0.720 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000826446213 607343243 /nfs/dbraw/zinc/34/32/43/607343243.db2.gz DFCVTIONYDJHAG-UWVGGRQHSA-N -1 3 369.307 0.767 20 50 FCGDHM NC(=O)c1ccc(OCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826393267 607347053 /nfs/dbraw/zinc/34/70/53/607347053.db2.gz KNZKXNGKYIAPIK-UHFFFAOYSA-N -1 3 353.342 0.488 20 50 FCGDHM COC[C@H](NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)C1CC1 ZINC000826150013 607562827 /nfs/dbraw/zinc/56/28/27/607562827.db2.gz ULAWTHQEXILGRH-XMRSSTEGSA-N -1 3 355.402 0.962 20 50 FCGDHM COC[C@H](NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C1CC1 ZINC000826150013 607562830 /nfs/dbraw/zinc/56/28/30/607562830.db2.gz ULAWTHQEXILGRH-XMRSSTEGSA-N -1 3 355.402 0.962 20 50 FCGDHM Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826329044 607685893 /nfs/dbraw/zinc/68/58/93/607685893.db2.gz OIIQBYIFPBMWQH-UHFFFAOYSA-N -1 3 351.330 0.226 20 50 FCGDHM Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826329044 607685895 /nfs/dbraw/zinc/68/58/95/607685895.db2.gz OIIQBYIFPBMWQH-UHFFFAOYSA-N -1 3 351.330 0.226 20 50 FCGDHM O=C(NCc1cccc(F)n1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826442889 607709494 /nfs/dbraw/zinc/70/94/94/607709494.db2.gz OORHXWWHXAEENA-UHFFFAOYSA-N -1 3 356.321 0.545 20 50 FCGDHM O=C(NCc1cccc(F)n1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826442889 607709496 /nfs/dbraw/zinc/70/94/96/607709496.db2.gz OORHXWWHXAEENA-UHFFFAOYSA-N -1 3 356.321 0.545 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000826448283 607727076 /nfs/dbraw/zinc/72/70/76/607727076.db2.gz PHFDSGINEBDAQD-CYBMUJFWSA-N -1 3 355.402 0.958 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000826448283 607727079 /nfs/dbraw/zinc/72/70/79/607727079.db2.gz PHFDSGINEBDAQD-CYBMUJFWSA-N -1 3 355.402 0.958 20 50 FCGDHM Cc1cc(C)n2nc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)nc2n1 ZINC000826265487 607731316 /nfs/dbraw/zinc/73/13/16/607731316.db2.gz AXTONQNUMPIXOR-UHFFFAOYSA-N -1 3 350.346 0.678 20 50 FCGDHM Cc1cc(C)n2nc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)nc2n1 ZINC000826265487 607731318 /nfs/dbraw/zinc/73/13/18/607731318.db2.gz AXTONQNUMPIXOR-UHFFFAOYSA-N -1 3 350.346 0.678 20 50 FCGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H]1CCC(=O)NC1 ZINC000823525718 606129830 /nfs/dbraw/zinc/12/98/30/606129830.db2.gz SQKYTSNWCKUERX-SSDOTTSWSA-N -1 3 369.307 0.855 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@@H]1CCC(=O)NC1 ZINC000823525718 606129831 /nfs/dbraw/zinc/12/98/31/606129831.db2.gz SQKYTSNWCKUERX-SSDOTTSWSA-N -1 3 369.307 0.855 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000823277838 606751245 /nfs/dbraw/zinc/75/12/45/606751245.db2.gz YFKSZDZRHVTJLV-BFHYXJOUSA-N -1 3 371.401 0.768 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000823277838 606751247 /nfs/dbraw/zinc/75/12/47/606751247.db2.gz YFKSZDZRHVTJLV-BFHYXJOUSA-N -1 3 371.401 0.768 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCC(F)(F)C1 ZINC000823277661 606932169 /nfs/dbraw/zinc/93/21/69/606932169.db2.gz UIUNUECOAVHGAQ-SNVBAGLBSA-N -1 3 351.317 0.999 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCC(F)(F)C1 ZINC000823277661 606932170 /nfs/dbraw/zinc/93/21/70/606932170.db2.gz UIUNUECOAVHGAQ-SNVBAGLBSA-N -1 3 351.317 0.999 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H]1CCOC2(CCC2)C1 ZINC000823277617 607173589 /nfs/dbraw/zinc/17/35/89/607173589.db2.gz RYBFZRWWWFUXBX-ZDUSSCGKSA-N -1 3 371.401 0.912 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H]1CCOC2(CCC2)C1 ZINC000823277617 607173590 /nfs/dbraw/zinc/17/35/90/607173590.db2.gz RYBFZRWWWFUXBX-ZDUSSCGKSA-N -1 3 371.401 0.912 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)C(C1CC1)C1CC1 ZINC000826417348 607793635 /nfs/dbraw/zinc/79/36/35/607793635.db2.gz NQIPTKYXRZYQDY-UHFFFAOYSA-N -1 3 356.386 0.829 20 50 FCGDHM C#CC(=O)NNC(=O)COc1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823838591 607813078 /nfs/dbraw/zinc/81/30/78/607813078.db2.gz RSUUQTMINZDCNV-UHFFFAOYSA-N -1 3 362.349 0.693 20 50 FCGDHM C#CC(=O)NNC(=O)COc1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823838591 607813079 /nfs/dbraw/zinc/81/30/79/607813079.db2.gz RSUUQTMINZDCNV-UHFFFAOYSA-N -1 3 362.349 0.693 20 50 FCGDHM C[C@@H]1OCC[C@@H]1SCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825020206 607845488 /nfs/dbraw/zinc/84/54/88/607845488.db2.gz JLISFMBMAFDFMA-CABZTGNLSA-N -1 3 362.415 0.538 20 50 FCGDHM C[C@@H]1OCC[C@@H]1SCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825020206 607845489 /nfs/dbraw/zinc/84/54/89/607845489.db2.gz JLISFMBMAFDFMA-CABZTGNLSA-N -1 3 362.415 0.538 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNc1ccc(C(F)(F)F)nn1 ZINC000826358367 607849072 /nfs/dbraw/zinc/84/90/72/607849072.db2.gz QRVGVQGUIJPBDX-UHFFFAOYSA-N -1 3 353.268 0.771 20 50 FCGDHM CN(C)c1ncc(C=NNC(=O)COc2ccccc2-c2nnn[n-]2)s1 ZINC000825883053 607882848 /nfs/dbraw/zinc/88/28/48/607882848.db2.gz BHIJNZHVDZTFQO-UHFFFAOYSA-N -1 3 372.414 0.918 20 50 FCGDHM CN(C)c1ncc(C=NNC(=O)COc2ccccc2-c2nn[n-]n2)s1 ZINC000825883053 607882849 /nfs/dbraw/zinc/88/28/49/607882849.db2.gz BHIJNZHVDZTFQO-UHFFFAOYSA-N -1 3 372.414 0.918 20 50 FCGDHM CC[C@H]1CO[C@@H](C)CN1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825218008 607921392 /nfs/dbraw/zinc/92/13/92/607921392.db2.gz AEWGZZSJFFZPPL-FZMZJTMJSA-N -1 3 373.417 0.127 20 50 FCGDHM CC[C@H]1CO[C@@H](C)CN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825218008 607921393 /nfs/dbraw/zinc/92/13/93/607921393.db2.gz AEWGZZSJFFZPPL-FZMZJTMJSA-N -1 3 373.417 0.127 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cn[nH]c1 ZINC000824499859 607959241 /nfs/dbraw/zinc/95/92/41/607959241.db2.gz RRBHPFNHHCQNTH-VIFPVBQESA-N -1 3 371.361 0.060 20 50 FCGDHM CCC[C@@H]1CN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000825251599 607979192 /nfs/dbraw/zinc/97/91/92/607979192.db2.gz CQDDJXQSKBXEFD-CYBMUJFWSA-N -1 3 359.390 0.722 20 50 FCGDHM CCC[C@@H]1CN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000825251599 607979193 /nfs/dbraw/zinc/97/91/93/607979193.db2.gz CQDDJXQSKBXEFD-CYBMUJFWSA-N -1 3 359.390 0.722 20 50 FCGDHM CNC(=O)c1cccc(OCC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826073239 607995357 /nfs/dbraw/zinc/99/53/57/607995357.db2.gz LCLCHOSQJFNKDR-UHFFFAOYSA-N -1 3 367.369 0.748 20 50 FCGDHM CNC(=O)c1cccc(OCC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826073239 607995358 /nfs/dbraw/zinc/99/53/58/607995358.db2.gz LCLCHOSQJFNKDR-UHFFFAOYSA-N -1 3 367.369 0.748 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCC[C@H](C)CO)cc(-c2nnn[n-]2)n1C ZINC000826235292 608005836 /nfs/dbraw/zinc/00/58/36/608005836.db2.gz HEGJYVMUHMAOLG-ODYDIQAQSA-N -1 3 357.418 0.945 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCC[C@H](C)CO)cc(-c2nn[n-]n2)n1C ZINC000826235292 608005837 /nfs/dbraw/zinc/00/58/37/608005837.db2.gz HEGJYVMUHMAOLG-ODYDIQAQSA-N -1 3 357.418 0.945 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCC[C@H](C)CO)cc(-c2nnn[n-]2)n1C ZINC000826235291 608005919 /nfs/dbraw/zinc/00/59/19/608005919.db2.gz HEGJYVMUHMAOLG-NGPAHMQLSA-N -1 3 357.418 0.945 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCC[C@H](C)CO)cc(-c2nn[n-]n2)n1C ZINC000826235291 608005920 /nfs/dbraw/zinc/00/59/20/608005920.db2.gz HEGJYVMUHMAOLG-NGPAHMQLSA-N -1 3 357.418 0.945 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2cncnc2N)cc(-c2nn[n-]n2)n1C ZINC000826235503 608074833 /nfs/dbraw/zinc/07/48/33/608074833.db2.gz KZLQEJKTHJXXDY-JYOAFUTRSA-N -1 3 364.373 0.109 20 50 FCGDHM CC(=NNC(=O)[C@@H](C)CN1CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948135 608094117 /nfs/dbraw/zinc/09/41/17/608094117.db2.gz DQCLEIFEDGBEOS-JTQLQIEISA-N -1 3 363.447 0.737 20 50 FCGDHM COc1cccc(NNC(=O)C(=O)Nc2cccc(C)c2-c2nnn[n-]2)n1 ZINC000826216814 608142015 /nfs/dbraw/zinc/14/20/15/608142015.db2.gz OQPMDVNAFLXOLD-UHFFFAOYSA-N -1 3 368.357 0.661 20 50 FCGDHM COc1cccc(NNC(=O)C(=O)Nc2cccc(C)c2-c2nn[n-]n2)n1 ZINC000826216814 608142016 /nfs/dbraw/zinc/14/20/16/608142016.db2.gz OQPMDVNAFLXOLD-UHFFFAOYSA-N -1 3 368.357 0.661 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)C12CCC(CC1)C2 ZINC000826417651 608143731 /nfs/dbraw/zinc/14/37/31/608143731.db2.gz YPJKJGBTKAPNAO-UHFFFAOYSA-N -1 3 356.386 0.973 20 50 FCGDHM CCOC(=O)CN(CC)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825511878 608200055 /nfs/dbraw/zinc/20/00/55/608200055.db2.gz JMFLRLOCZHEBNA-NTUHNPAUSA-N -1 3 371.401 0.832 20 50 FCGDHM CCOC(=O)CN(CC)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825511878 608200057 /nfs/dbraw/zinc/20/00/57/608200057.db2.gz JMFLRLOCZHEBNA-NTUHNPAUSA-N -1 3 371.401 0.832 20 50 FCGDHM Cc1cccn2c(=O)c(C(=O)NNc3cccc(-c4nnn[n-]4)c3)cnc12 ZINC000826308093 608318781 /nfs/dbraw/zinc/31/87/81/608318781.db2.gz JJHOXPRJRMTAJD-UHFFFAOYSA-N -1 3 362.353 0.940 20 50 FCGDHM Cc1cccn2c(=O)c(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cnc12 ZINC000826308093 608318783 /nfs/dbraw/zinc/31/87/83/608318783.db2.gz JJHOXPRJRMTAJD-UHFFFAOYSA-N -1 3 362.353 0.940 20 50 FCGDHM Cc1ccc(S(N)(=O)=O)c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826292983 608471118 /nfs/dbraw/zinc/47/11/18/608471118.db2.gz WEFUPQTWVLGMQR-UHFFFAOYSA-N -1 3 373.398 0.579 20 50 FCGDHM CC1(C)OCC(C)(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CO1 ZINC000824813466 608568361 /nfs/dbraw/zinc/56/83/61/608568361.db2.gz ZEGOVMDAEFXFFC-UHFFFAOYSA-N -1 3 360.374 0.417 20 50 FCGDHM CC1(C)OCC(C)(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CO1 ZINC000824813466 608568363 /nfs/dbraw/zinc/56/83/63/608568363.db2.gz ZEGOVMDAEFXFFC-UHFFFAOYSA-N -1 3 360.374 0.417 20 50 FCGDHM CCc1nnc2n1C[C@@H](NC(=O)NNc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000825770589 609182014 /nfs/dbraw/zinc/18/20/14/609182014.db2.gz COTHSTIHAJTHTG-LBPRGKRZSA-N -1 3 368.405 0.662 20 50 FCGDHM CCc1nnc2n1C[C@@H](NC(=O)NNc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000825770589 609182015 /nfs/dbraw/zinc/18/20/15/609182015.db2.gz COTHSTIHAJTHTG-LBPRGKRZSA-N -1 3 368.405 0.662 20 50 FCGDHM O=C(NCc1ccco1)NNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443271 609214542 /nfs/dbraw/zinc/21/45/42/609214542.db2.gz ISBJSFBGOILVOS-GFCCVEGCSA-N -1 3 357.330 0.024 20 50 FCGDHM O=C(NCc1ccco1)NNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443271 609214544 /nfs/dbraw/zinc/21/45/44/609214544.db2.gz ISBJSFBGOILVOS-GFCCVEGCSA-N -1 3 357.330 0.024 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)Cc2ncon2)cc(-c2nnn[n-]2)n1C ZINC000826235545 609297249 /nfs/dbraw/zinc/29/72/49/609297249.db2.gz LRCBKGOHUOFPSD-NYYWCZLTSA-N -1 3 353.346 0.462 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)Cc2ncon2)cc(-c2nn[n-]n2)n1C ZINC000826235545 609297250 /nfs/dbraw/zinc/29/72/50/609297250.db2.gz LRCBKGOHUOFPSD-NYYWCZLTSA-N -1 3 353.346 0.462 20 50 FCGDHM CCc1cc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc(=O)[nH]1 ZINC000825694306 609378735 /nfs/dbraw/zinc/37/87/35/609378735.db2.gz NLQVMFBXQDWGRA-UHFFFAOYSA-N -1 3 353.342 0.605 20 50 FCGDHM CCc1cc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc(=O)[nH]1 ZINC000825694306 609378738 /nfs/dbraw/zinc/37/87/38/609378738.db2.gz NLQVMFBXQDWGRA-UHFFFAOYSA-N -1 3 353.342 0.605 20 50 FCGDHM CCc1cc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc(=O)[nH]1 ZINC000825693978 609381186 /nfs/dbraw/zinc/38/11/86/609381186.db2.gz JMILDUBNHXFCJG-UHFFFAOYSA-N -1 3 353.342 0.605 20 50 FCGDHM CCc1cc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc(=O)[nH]1 ZINC000825693978 609381188 /nfs/dbraw/zinc/38/11/88/609381188.db2.gz JMILDUBNHXFCJG-UHFFFAOYSA-N -1 3 353.342 0.605 20 50 FCGDHM C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824756932 609410596 /nfs/dbraw/zinc/41/05/96/609410596.db2.gz SEZNPZPJVGZZNE-QMMMGPOBSA-N -1 3 359.321 0.562 20 50 FCGDHM C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824756932 609410597 /nfs/dbraw/zinc/41/05/97/609410597.db2.gz SEZNPZPJVGZZNE-QMMMGPOBSA-N -1 3 359.321 0.562 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H](CO)C1CCCCC1 ZINC000826445411 609444773 /nfs/dbraw/zinc/44/47/73/609444773.db2.gz SVBBQHLBSYEHMK-AWEZNQCLSA-N -1 3 373.417 0.752 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H](CO)C1CCCCC1 ZINC000826445411 609444776 /nfs/dbraw/zinc/44/47/76/609444776.db2.gz SVBBQHLBSYEHMK-AWEZNQCLSA-N -1 3 373.417 0.752 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCOC1 ZINC000824500404 609597589 /nfs/dbraw/zinc/59/75/89/609597589.db2.gz WMHGPZDADPDQLQ-ZWNOBZJWSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCOC1 ZINC000824500404 609597591 /nfs/dbraw/zinc/59/75/91/609597591.db2.gz WMHGPZDADPDQLQ-ZWNOBZJWSA-N -1 3 359.390 0.626 20 50 FCGDHM NC(=O)[C@@H](NNC(=O)CCc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737398 945120967 /nfs/dbraw/zinc/12/09/67/945120967.db2.gz QPCKGBODXLQPRN-AWEZNQCLSA-N -1 3 355.358 0.240 20 50 FCGDHM NC(=O)[C@@H](NNC(=O)CCc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737398 945120969 /nfs/dbraw/zinc/12/09/69/945120969.db2.gz QPCKGBODXLQPRN-AWEZNQCLSA-N -1 3 355.358 0.240 20 50 FCGDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NC1CCCCC1 ZINC000737896785 945148391 /nfs/dbraw/zinc/14/83/91/945148391.db2.gz YWOXLMDOCXLYEG-UHFFFAOYSA-N -1 3 358.406 0.942 20 50 FCGDHM O=C(COc1ccc(F)cc1F)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737919280 945153167 /nfs/dbraw/zinc/15/31/67/945153167.db2.gz GTEHPGNCZQEAIQ-UHFFFAOYSA-N -1 3 374.307 0.985 20 50 FCGDHM O=C(COc1ccc(F)cc1F)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737919280 945153173 /nfs/dbraw/zinc/15/31/73/945153173.db2.gz GTEHPGNCZQEAIQ-UHFFFAOYSA-N -1 3 374.307 0.985 20 50 FCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=c1nc[nH]c2[nH]cnc21 ZINC000737929995 945157785 /nfs/dbraw/zinc/15/77/85/945157785.db2.gz LNAYGXDOUSRHDE-UHFFFAOYSA-N -1 3 352.318 0.055 20 50 FCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=c1nc[nH]c2[nH]cnc21 ZINC000737929995 945157787 /nfs/dbraw/zinc/15/77/87/945157787.db2.gz LNAYGXDOUSRHDE-UHFFFAOYSA-N -1 3 352.318 0.055 20 50 FCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)Cc1cccnc1 ZINC000737929977 945158236 /nfs/dbraw/zinc/15/82/36/945158236.db2.gz LIZHYNWRVWBLAW-UHFFFAOYSA-N -1 3 353.342 0.031 20 50 FCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)Cc1cccnc1 ZINC000737929977 945158240 /nfs/dbraw/zinc/15/82/40/945158240.db2.gz LIZHYNWRVWBLAW-UHFFFAOYSA-N -1 3 353.342 0.031 20 50 FCGDHM O=C(CSCc1ccncc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737936499 945163032 /nfs/dbraw/zinc/16/30/32/945163032.db2.gz RKHMRFNXKNSFSF-UHFFFAOYSA-N -1 3 369.410 0.956 20 50 FCGDHM O=C(CSCc1ccncc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737936499 945163053 /nfs/dbraw/zinc/16/30/53/945163053.db2.gz RKHMRFNXKNSFSF-UHFFFAOYSA-N -1 3 369.410 0.956 20 50 FCGDHM O=C(CSc1nncs1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737954019 945164690 /nfs/dbraw/zinc/16/46/90/945164690.db2.gz RGHGETOMEOQUAR-UHFFFAOYSA-N -1 3 362.400 0.272 20 50 FCGDHM O=C(CSc1nncs1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737954019 945164692 /nfs/dbraw/zinc/16/46/92/945164692.db2.gz RGHGETOMEOQUAR-UHFFFAOYSA-N -1 3 362.400 0.272 20 50 FCGDHM O=C(NCCOc1cccnc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738085061 945185458 /nfs/dbraw/zinc/18/54/58/945185458.db2.gz DKJWTPCHWPNAJO-UHFFFAOYSA-N -1 3 368.357 0.285 20 50 FCGDHM O=C(NCCOc1cccnc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738085061 945185463 /nfs/dbraw/zinc/18/54/63/945185463.db2.gz DKJWTPCHWPNAJO-UHFFFAOYSA-N -1 3 368.357 0.285 20 50 FCGDHM O=C(NNC(=O)[C@@H]1COc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000738129605 945202036 /nfs/dbraw/zinc/20/20/36/945202036.db2.gz DZTCGTFVMJDHND-CYBMUJFWSA-N -1 3 350.338 0.804 20 50 FCGDHM O=C(NNC(=O)[C@@H]1COc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000738129605 945202041 /nfs/dbraw/zinc/20/20/41/945202041.db2.gz DZTCGTFVMJDHND-CYBMUJFWSA-N -1 3 350.338 0.804 20 50 FCGDHM O=C(NNC(=O)[C@H]1COc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000738129607 945202709 /nfs/dbraw/zinc/20/27/09/945202709.db2.gz DZTCGTFVMJDHND-ZDUSSCGKSA-N -1 3 350.338 0.804 20 50 FCGDHM O=C(NNC(=O)[C@H]1COc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000738129607 945202714 /nfs/dbraw/zinc/20/27/14/945202714.db2.gz DZTCGTFVMJDHND-ZDUSSCGKSA-N -1 3 350.338 0.804 20 50 FCGDHM O=C(NNc1cnccn1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738136653 945237276 /nfs/dbraw/zinc/23/72/76/945237276.db2.gz ILNMXXIVICGDMZ-CYBMUJFWSA-N -1 3 351.374 0.769 20 50 FCGDHM CC(=O)N(C)CC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819789394 945289725 /nfs/dbraw/zinc/28/97/25/945289725.db2.gz NDQWMPVMJKOLMD-UHFFFAOYSA-N -1 3 357.296 0.807 20 50 FCGDHM CC(=O)N(C)CC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819789394 945289729 /nfs/dbraw/zinc/28/97/29/945289729.db2.gz NDQWMPVMJKOLMD-UHFFFAOYSA-N -1 3 357.296 0.807 20 50 FCGDHM CC(C)CO[C@@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820097674 945351979 /nfs/dbraw/zinc/35/19/79/945351979.db2.gz RDNVEFMILTUGNI-CQSZACIVSA-N -1 3 373.417 0.968 20 50 FCGDHM CC(C)CO[C@@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820097674 945351992 /nfs/dbraw/zinc/35/19/92/945351992.db2.gz RDNVEFMILTUGNI-CQSZACIVSA-N -1 3 373.417 0.968 20 50 FCGDHM CC(=O)Nc1cccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000735488064 944667446 /nfs/dbraw/zinc/66/74/46/944667446.db2.gz HSDSSNAHJHXCFX-UHFFFAOYSA-N -1 3 365.353 0.900 20 50 FCGDHM CC(=O)Nc1cccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000735488064 944667449 /nfs/dbraw/zinc/66/74/49/944667449.db2.gz HSDSSNAHJHXCFX-UHFFFAOYSA-N -1 3 365.353 0.900 20 50 FCGDHM CC(C)COCCCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735839100 944707364 /nfs/dbraw/zinc/70/73/64/944707364.db2.gz ZRDOQGHETGEMNO-UHFFFAOYSA-N -1 3 361.406 0.873 20 50 FCGDHM CC(C)COCCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735839100 944707369 /nfs/dbraw/zinc/70/73/69/944707369.db2.gz ZRDOQGHETGEMNO-UHFFFAOYSA-N -1 3 361.406 0.873 20 50 FCGDHM C[C@@H](Oc1cccnc1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189255 944758252 /nfs/dbraw/zinc/75/82/52/944758252.db2.gz OSCNUEWHXDNWRL-SNVBAGLBSA-N -1 3 353.342 0.490 20 50 FCGDHM C[C@@H](Oc1cccnc1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189255 944758256 /nfs/dbraw/zinc/75/82/56/944758256.db2.gz OSCNUEWHXDNWRL-SNVBAGLBSA-N -1 3 353.342 0.490 20 50 FCGDHM CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736305257 944795176 /nfs/dbraw/zinc/79/51/76/944795176.db2.gz SKIBJRRNFOGKAF-CYBMUJFWSA-N -1 3 371.401 0.419 20 50 FCGDHM CCC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736305257 944795180 /nfs/dbraw/zinc/79/51/80/944795180.db2.gz SKIBJRRNFOGKAF-CYBMUJFWSA-N -1 3 371.401 0.419 20 50 FCGDHM CCC(CC)NC(=O)C(=O)NNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000736345091 944804835 /nfs/dbraw/zinc/80/48/35/944804835.db2.gz FDHITTKCODCYPD-UHFFFAOYSA-N -1 3 360.378 0.324 20 50 FCGDHM CCC(CC)NC(=O)C(=O)NNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000736345091 944804843 /nfs/dbraw/zinc/80/48/43/944804843.db2.gz FDHITTKCODCYPD-UHFFFAOYSA-N -1 3 360.378 0.324 20 50 FCGDHM CCOC[C@@H]1CCCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736609712 944853081 /nfs/dbraw/zinc/85/30/81/944853081.db2.gz QUPMKDZTFNNQMD-GFCCVEGCSA-N -1 3 373.417 0.970 20 50 FCGDHM CCOC[C@@H]1CCCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736609712 944853093 /nfs/dbraw/zinc/85/30/93/944853093.db2.gz QUPMKDZTFNNQMD-GFCCVEGCSA-N -1 3 373.417 0.970 20 50 FCGDHM CN(C)c1nccc(=NNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)[nH]1 ZINC000736780496 944890783 /nfs/dbraw/zinc/89/07/83/944890783.db2.gz WHYIKFLNBBOZOY-UHFFFAOYSA-N -1 3 354.378 0.278 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCC[S@](C)=O)cc(-c2nnn[n-]2)n1C ZINC000737211360 944985501 /nfs/dbraw/zinc/98/55/01/944985501.db2.gz BWISTGBHFPBIST-FRHHVXPKSA-N -1 3 361.431 0.305 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCC[S@](C)=O)cc(-c2nn[n-]n2)n1C ZINC000737211360 944985506 /nfs/dbraw/zinc/98/55/06/944985506.db2.gz BWISTGBHFPBIST-FRHHVXPKSA-N -1 3 361.431 0.305 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCNC(=O)C[C@@H]2C)cc(-c2nnn[n-]2)n1C ZINC000737212659 944993998 /nfs/dbraw/zinc/99/39/98/944993998.db2.gz LWVGWGIEPSGHJF-BNDQCTAISA-N -1 3 368.401 0.158 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCNC(=O)C[C@@H]2C)cc(-c2nn[n-]n2)n1C ZINC000737212659 944994002 /nfs/dbraw/zinc/99/40/02/944994002.db2.gz LWVGWGIEPSGHJF-BNDQCTAISA-N -1 3 368.401 0.158 20 50 FCGDHM CC(C)c1cc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n(C)n1 ZINC000820187588 945369837 /nfs/dbraw/zinc/36/98/37/945369837.db2.gz IJYBBDRNICNORD-UHFFFAOYSA-N -1 3 354.374 0.798 20 50 FCGDHM CC(C)c1cc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n(C)n1 ZINC000820187588 945369849 /nfs/dbraw/zinc/36/98/49/945369849.db2.gz IJYBBDRNICNORD-UHFFFAOYSA-N -1 3 354.374 0.798 20 50 FCGDHM C[C@@H](C[C@H]1CCOC1)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820233854 945392807 /nfs/dbraw/zinc/39/28/07/945392807.db2.gz LTROZDOHBOSGQH-WDEREUQCSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@@H](C[C@H]1CCOC1)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820233854 945392819 /nfs/dbraw/zinc/39/28/19/945392819.db2.gz LTROZDOHBOSGQH-WDEREUQCSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@H](C[C@H]1CCOC1)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820233851 945393278 /nfs/dbraw/zinc/39/32/78/945393278.db2.gz LTROZDOHBOSGQH-GHMZBOCLSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@H](C[C@H]1CCOC1)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820233851 945393286 /nfs/dbraw/zinc/39/32/86/945393286.db2.gz LTROZDOHBOSGQH-GHMZBOCLSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@@H](Cc1ccncc1)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820298868 945408059 /nfs/dbraw/zinc/40/80/59/945408059.db2.gz BSEUBBMJFPOGJD-NSHDSACASA-N -1 3 366.385 0.837 20 50 FCGDHM C[C@@H](Cc1ccncc1)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820298868 945408080 /nfs/dbraw/zinc/40/80/80/945408080.db2.gz BSEUBBMJFPOGJD-NSHDSACASA-N -1 3 366.385 0.837 20 50 FCGDHM C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820534154 945476866 /nfs/dbraw/zinc/47/68/66/945476866.db2.gz JGJAVDOGZFIRET-SECBINFHSA-N -1 3 373.348 0.573 20 50 FCGDHM C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820534154 945476871 /nfs/dbraw/zinc/47/68/71/945476871.db2.gz JGJAVDOGZFIRET-SECBINFHSA-N -1 3 373.348 0.573 20 50 FCGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@@H]1CCCS1 ZINC000820529229 945477060 /nfs/dbraw/zinc/47/70/60/945477060.db2.gz PUWXOBXMSDPXFK-SKDRFNHKSA-N -1 3 362.415 0.677 20 50 FCGDHM CC[C@H](C)[C@H](O)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000820862931 945577580 /nfs/dbraw/zinc/57/75/80/945577580.db2.gz RXWJJTCPQLZPGU-PZIREMLOSA-N -1 3 357.418 0.944 20 50 FCGDHM CC[C@H](C)[C@H](O)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000820862931 945577583 /nfs/dbraw/zinc/57/75/83/945577583.db2.gz RXWJJTCPQLZPGU-PZIREMLOSA-N -1 3 357.418 0.944 20 50 FCGDHM CC[C@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCOCC1 ZINC000820920247 945589180 /nfs/dbraw/zinc/58/91/80/945589180.db2.gz NYFVBKXFPUZRMB-ZDUSSCGKSA-N -1 3 374.405 0.130 20 50 FCGDHM CC[C@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCOCC1 ZINC000820920247 945589189 /nfs/dbraw/zinc/58/91/89/945589189.db2.gz NYFVBKXFPUZRMB-ZDUSSCGKSA-N -1 3 374.405 0.130 20 50 FCGDHM CCC1(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820944019 945594471 /nfs/dbraw/zinc/59/44/71/945594471.db2.gz GFLILNMNTCJQKP-UHFFFAOYSA-N -1 3 358.358 0.361 20 50 FCGDHM CCC1(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820944019 945594474 /nfs/dbraw/zinc/59/44/74/945594474.db2.gz GFLILNMNTCJQKP-UHFFFAOYSA-N -1 3 358.358 0.361 20 50 FCGDHM CCC/C(C)=C\C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821008792 945611281 /nfs/dbraw/zinc/61/12/81/945611281.db2.gz LNTWPQZATHCSOL-LUAWRHEFSA-N -1 3 372.385 0.917 20 50 FCGDHM CCC/C(C)=C\C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821008792 945611289 /nfs/dbraw/zinc/61/12/89/945611289.db2.gz LNTWPQZATHCSOL-LUAWRHEFSA-N -1 3 372.385 0.917 20 50 FCGDHM CN(CCC1CCOCC1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821599268 945737816 /nfs/dbraw/zinc/73/78/16/945737816.db2.gz MUAZGTJJVJKDPQ-UHFFFAOYSA-N -1 3 373.417 0.970 20 50 FCGDHM CN(CCC1CCOCC1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821599268 945737818 /nfs/dbraw/zinc/73/78/18/945737818.db2.gz MUAZGTJJVJKDPQ-UHFFFAOYSA-N -1 3 373.417 0.970 20 50 FCGDHM COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821655967 945779005 /nfs/dbraw/zinc/77/90/05/945779005.db2.gz VBVIOXCJTZNZQF-OLZOCXBDSA-N -1 3 372.385 0.607 20 50 FCGDHM COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821655967 945779011 /nfs/dbraw/zinc/77/90/11/945779011.db2.gz VBVIOXCJTZNZQF-OLZOCXBDSA-N -1 3 372.385 0.607 20 50 FCGDHM COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821655219 945779507 /nfs/dbraw/zinc/77/95/07/945779507.db2.gz HNVRFFHNZXXOBW-OLZOCXBDSA-N -1 3 372.385 0.607 20 50 FCGDHM COC(=O)[C@H]1CCC[C@@H](C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821655219 945779514 /nfs/dbraw/zinc/77/95/14/945779514.db2.gz HNVRFFHNZXXOBW-OLZOCXBDSA-N -1 3 372.385 0.607 20 50 FCGDHM COC(=O)Cc1c(C(=O)OC)sc(NC=C(C#N)C#N)c1-c1nnn[n-]1 ZINC000821664010 945783214 /nfs/dbraw/zinc/78/32/14/945783214.db2.gz YQEVMLLRNFXWJW-UHFFFAOYSA-N -1 3 373.354 0.773 20 50 FCGDHM COC(=O)Cc1c(C(=O)OC)sc(NC=C(C#N)C#N)c1-c1nn[n-]n1 ZINC000821664010 945783216 /nfs/dbraw/zinc/78/32/16/945783216.db2.gz YQEVMLLRNFXWJW-UHFFFAOYSA-N -1 3 373.354 0.773 20 50 FCGDHM COc1cccc(NCC(=O)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000821872679 945889842 /nfs/dbraw/zinc/88/98/42/945889842.db2.gz NRYKGIYEQIGXAT-UHFFFAOYSA-N -1 3 370.373 0.087 20 50 FCGDHM COc1cccc(NCC(=O)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000821872679 945889855 /nfs/dbraw/zinc/88/98/55/945889855.db2.gz NRYKGIYEQIGXAT-UHFFFAOYSA-N -1 3 370.373 0.087 20 50 FCGDHM Cc1nc[nH]c1CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000822010343 945919532 /nfs/dbraw/zinc/91/95/32/945919532.db2.gz YVNPJGJOFMWQGD-QCDXTXTGSA-N -1 3 351.374 0.769 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)CC(C)C)cc(-c2nnn[n-]2)n1C ZINC000822029263 945953701 /nfs/dbraw/zinc/95/37/01/945953701.db2.gz WQZOMUGCSKIUHA-YGLIYXGISA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)CC(C)C)cc(-c2nn[n-]n2)n1C ZINC000822029263 945953709 /nfs/dbraw/zinc/95/37/09/945953709.db2.gz WQZOMUGCSKIUHA-YGLIYXGISA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1ccccc1CC(=O)NNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000822356021 946067122 /nfs/dbraw/zinc/06/71/22/946067122.db2.gz GKULTLWMLSELEY-UHFFFAOYSA-N -1 3 366.381 0.944 20 50 FCGDHM Cc1ccccc1CC(=O)NNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000822356021 946067136 /nfs/dbraw/zinc/06/71/36/946067136.db2.gz GKULTLWMLSELEY-UHFFFAOYSA-N -1 3 366.381 0.944 20 50 FCGDHM Cc1nn(C)c(C)c1OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822491886 946103873 /nfs/dbraw/zinc/10/38/73/946103873.db2.gz IJWHSXGGEMKTTO-UHFFFAOYSA-N -1 3 370.373 0.057 20 50 FCGDHM Cc1nn(C)c(C)c1OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822491886 946103879 /nfs/dbraw/zinc/10/38/79/946103879.db2.gz IJWHSXGGEMKTTO-UHFFFAOYSA-N -1 3 370.373 0.057 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)Cn1cnc2ccccc21 ZINC000822645619 946144681 /nfs/dbraw/zinc/14/46/81/946144681.db2.gz HRNFOFDLQJFSMC-UHFFFAOYSA-N -1 3 365.357 0.016 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)Cn1cnc2ccccc21 ZINC000822645619 946144685 /nfs/dbraw/zinc/14/46/85/946144685.db2.gz HRNFOFDLQJFSMC-UHFFFAOYSA-N -1 3 365.357 0.016 20 50 FCGDHM Cn1ccnc(NNC(=O)C(C)(C)Oc2ccc(-c3nnn[n-]3)cc2)c1=O ZINC000822693789 946158738 /nfs/dbraw/zinc/15/87/38/946158738.db2.gz KDDRPEKSIRSQMI-UHFFFAOYSA-N -1 3 370.373 0.261 20 50 FCGDHM Cn1ccnc(NNC(=O)C(C)(C)Oc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000822693789 946158744 /nfs/dbraw/zinc/15/87/44/946158744.db2.gz KDDRPEKSIRSQMI-UHFFFAOYSA-N -1 3 370.373 0.261 20 50 FCGDHM O=C(COC(=O)CCC1CC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018581 946273520 /nfs/dbraw/zinc/27/35/20/946273520.db2.gz SFSAFJQDQPMYMF-UHFFFAOYSA-N -1 3 358.358 0.361 20 50 FCGDHM O=C(COC(=O)CCC1CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018581 946273526 /nfs/dbraw/zinc/27/35/26/946273526.db2.gz SFSAFJQDQPMYMF-UHFFFAOYSA-N -1 3 358.358 0.361 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)CC1(O)CCCCC1 ZINC000823036596 946285310 /nfs/dbraw/zinc/28/53/10/946285310.db2.gz ILWFSYSHONFHDV-UHFFFAOYSA-N -1 3 374.401 0.478 20 50 FCGDHM O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823074963 946303822 /nfs/dbraw/zinc/30/38/22/946303822.db2.gz ZXOOUIPILYBXDZ-UHFFFAOYSA-N -1 3 350.342 0.680 20 50 FCGDHM O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823074963 946303830 /nfs/dbraw/zinc/30/38/30/946303830.db2.gz ZXOOUIPILYBXDZ-UHFFFAOYSA-N -1 3 350.342 0.680 20 50 FCGDHM O=C(NNC(=O)[C@H]1CCCc2n[nH]cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823273312 946377519 /nfs/dbraw/zinc/37/75/19/946377519.db2.gz JPLQVAQWFBMOCP-NSHDSACASA-N -1 3 352.358 0.471 20 50 FCGDHM C[C@H]1CC[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824908913 946988904 /nfs/dbraw/zinc/98/89/04/946988904.db2.gz ROSLNYJTGIKMPD-GWCFXTLKSA-N -1 3 372.385 0.607 20 50 FCGDHM C[C@H]1CC[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824908913 946988915 /nfs/dbraw/zinc/98/89/15/946988915.db2.gz ROSLNYJTGIKMPD-GWCFXTLKSA-N -1 3 372.385 0.607 20 50 FCGDHM O=C(CSc1ccccc1O)NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826421037 948265892 /nfs/dbraw/zinc/26/58/92/948265892.db2.gz OAZITRRBYKGODB-UHFFFAOYSA-N -1 3 359.371 0.454 20 50 FCGDHM O=C(CSc1ccccc1O)NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826421037 948265902 /nfs/dbraw/zinc/26/59/02/948265902.db2.gz OAZITRRBYKGODB-UHFFFAOYSA-N -1 3 359.371 0.454 20 50 FCGDHM CO[C@@H]1CCC[C@@H]([C@@H]([NH2+]CC(=O)N[N-]C(=O)c2cccs2)C(=O)[O-])C1 ZINC001599108178 997517695 /nfs/dbraw/zinc/51/76/95/997517695.db2.gz AYSGIFZVQVFALC-JTNHKYCSSA-N -1 3 369.443 0.757 20 50 FCGDHM CS(=O)(=O)C1(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000826222182 607348082 /nfs/dbraw/zinc/34/80/82/607348082.db2.gz MUSHNUOCWIJFOM-UHFFFAOYSA-N -1 3 350.404 0.667 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000826446726 607347279 /nfs/dbraw/zinc/34/72/79/607347279.db2.gz WAFGEJGTSRGNPF-GFCCVEGCSA-N -1 3 367.369 0.952 20 50 FCGDHM C[C@@]1(CCCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)NC(=O)NC1=O ZINC000824817093 607352726 /nfs/dbraw/zinc/35/27/26/607352726.db2.gz KKQWWEVQSBIHBC-HNNXBMFYSA-N -1 3 358.362 0.078 20 50 FCGDHM C[C@@]12CCC(=O)N1[C@@H](C(=O)NNc1ccc(-c3nn[n-]n3)cc1)CS2 ZINC000824852304 607352786 /nfs/dbraw/zinc/35/27/86/607352786.db2.gz JZBWYVIIHRDRBZ-IAQYHMDHSA-N -1 3 359.415 0.764 20 50 FCGDHM COc1ccc(NC(=O)C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826209819 607349254 /nfs/dbraw/zinc/34/92/54/607349254.db2.gz SBKUGVOUGFPNHX-UHFFFAOYSA-N -1 3 353.342 0.957 20 50 FCGDHM O=C(CNC(=O)c1ccc(F)cc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826412573 607465167 /nfs/dbraw/zinc/46/51/67/607465167.db2.gz TZYNADNKIHOTQJ-UHFFFAOYSA-N -1 3 355.333 0.879 20 50 FCGDHM C[C@H](Sc1nnnn1C1CC1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824762493 607716996 /nfs/dbraw/zinc/71/69/96/607716996.db2.gz GSFUMPUERDYHKS-QMMMGPOBSA-N -1 3 372.418 0.812 20 50 FCGDHM C[C@H](Sc1nnnn1C1CC1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824762493 607716998 /nfs/dbraw/zinc/71/69/98/607716998.db2.gz GSFUMPUERDYHKS-QMMMGPOBSA-N -1 3 372.418 0.812 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000826448331 607718448 /nfs/dbraw/zinc/71/84/48/607718448.db2.gz QZLKMWTWPOROBU-UWVGGRQHSA-N -1 3 369.307 0.767 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000826448331 607718450 /nfs/dbraw/zinc/71/84/50/607718450.db2.gz QZLKMWTWPOROBU-UWVGGRQHSA-N -1 3 369.307 0.767 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000826448941 607719825 /nfs/dbraw/zinc/71/98/25/607719825.db2.gz UGHJRLTXFOATSJ-UHFFFAOYSA-N -1 3 364.325 0.153 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000826448941 607719828 /nfs/dbraw/zinc/71/98/28/607719828.db2.gz UGHJRLTXFOATSJ-UHFFFAOYSA-N -1 3 364.325 0.153 20 50 FCGDHM O=C(C[C@H]1CSCCS1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826404980 607725818 /nfs/dbraw/zinc/72/58/18/607725818.db2.gz RRIVPJFXVBTEDK-NSHDSACASA-N -1 3 364.456 0.866 20 50 FCGDHM O=C(C[C@H]1CSCCS1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826404980 607725820 /nfs/dbraw/zinc/72/58/20/607725820.db2.gz RRIVPJFXVBTEDK-NSHDSACASA-N -1 3 364.456 0.866 20 50 FCGDHM Cn1nc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c2ccccc2c1=O ZINC000826366179 607726356 /nfs/dbraw/zinc/72/63/56/607726356.db2.gz WGIXVPCEUFWOKB-UHFFFAOYSA-N -1 3 362.353 0.871 20 50 FCGDHM Cn1nc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c2ccccc2c1=O ZINC000826366179 607726357 /nfs/dbraw/zinc/72/63/57/607726357.db2.gz WGIXVPCEUFWOKB-UHFFFAOYSA-N -1 3 362.353 0.871 20 50 FCGDHM C[C@@]1(CCCC(=O)NNc2cccc(-c3nnn[n-]3)c2)NC(=O)NC1=O ZINC000824818718 607730542 /nfs/dbraw/zinc/73/05/42/607730542.db2.gz VKPCUEAKRUNVOI-HNNXBMFYSA-N -1 3 358.362 0.078 20 50 FCGDHM C[C@@]1(CCCC(=O)NNc2cccc(-c3nn[n-]n3)c2)NC(=O)NC1=O ZINC000824818718 607730544 /nfs/dbraw/zinc/73/05/44/607730544.db2.gz VKPCUEAKRUNVOI-HNNXBMFYSA-N -1 3 358.362 0.078 20 50 FCGDHM C[C@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1cccn1CC(=O)[O-] ZINC000833623313 605096964 /nfs/dbraw/zinc/09/69/64/605096964.db2.gz JYGMYSMATZUYLK-MGPQQGTHSA-N -1 3 350.419 0.768 20 50 FCGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)NC1CC1 ZINC000823280550 606155260 /nfs/dbraw/zinc/15/52/60/606155260.db2.gz AQVPXCXLAAONSQ-UHFFFAOYSA-N -1 3 355.280 0.607 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)NC1CC1 ZINC000823280550 606155261 /nfs/dbraw/zinc/15/52/61/606155261.db2.gz AQVPXCXLAAONSQ-UHFFFAOYSA-N -1 3 355.280 0.607 20 50 FCGDHM O=C(NNc1ccc(C(F)(F)F)nn1)c1ccc(-c2nn[n-]n2)cn1 ZINC000826447495 607862349 /nfs/dbraw/zinc/86/23/49/607862349.db2.gz IEHDWJFATSMJQH-UHFFFAOYSA-N -1 3 351.252 0.827 20 50 FCGDHM C[C@@H](c1ccco1)N(C)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824769802 607921545 /nfs/dbraw/zinc/92/15/45/607921545.db2.gz BALYOXQOJQOOQO-NSHDSACASA-N -1 3 369.385 0.914 20 50 FCGDHM C[C@@H](c1ccco1)N(C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824769802 607921546 /nfs/dbraw/zinc/92/15/46/607921546.db2.gz BALYOXQOJQOOQO-NSHDSACASA-N -1 3 369.385 0.914 20 50 FCGDHM CCN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C[C@@H](C)C#N ZINC000825395408 608154603 /nfs/dbraw/zinc/15/46/03/608154603.db2.gz OXINIANVFWQAJQ-NSHDSACASA-N -1 3 356.390 0.109 20 50 FCGDHM CCN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C[C@@H](C)C#N ZINC000825395408 608154605 /nfs/dbraw/zinc/15/46/05/608154605.db2.gz OXINIANVFWQAJQ-NSHDSACASA-N -1 3 356.390 0.109 20 50 FCGDHM COC(=O)C1CCC(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826129518 608568605 /nfs/dbraw/zinc/56/86/05/608568605.db2.gz UFBPHBYENROATR-UHFFFAOYSA-N -1 3 372.385 0.607 20 50 FCGDHM COC(=O)C1CCC(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826129518 608568606 /nfs/dbraw/zinc/56/86/06/608568606.db2.gz UFBPHBYENROATR-UHFFFAOYSA-N -1 3 372.385 0.607 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cnn(-c2ncccn2)c1 ZINC000826448023 608814584 /nfs/dbraw/zinc/81/45/84/608814584.db2.gz FIBOQOWJUUPMGG-UHFFFAOYSA-N -1 3 363.345 0.991 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cnn(-c2ncccn2)c1 ZINC000826448023 608814588 /nfs/dbraw/zinc/81/45/88/608814588.db2.gz FIBOQOWJUUPMGG-UHFFFAOYSA-N -1 3 363.345 0.991 20 50 FCGDHM CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948397 609159278 /nfs/dbraw/zinc/15/92/78/609159278.db2.gz KRAXXZHSZSLKDH-SNVBAGLBSA-N -1 3 366.378 0.281 20 50 FCGDHM CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948397 609159279 /nfs/dbraw/zinc/15/92/79/609159279.db2.gz KRAXXZHSZSLKDH-SNVBAGLBSA-N -1 3 366.378 0.281 20 50 FCGDHM CCNC(=O)N(C)NC(=O)[C@@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000825471456 609165900 /nfs/dbraw/zinc/16/59/00/609165900.db2.gz UIOJPADGCGLMNH-ZDUSSCGKSA-N -1 3 361.406 0.963 20 50 FCGDHM CCNC(=O)N(C)NC(=O)[C@@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000825471456 609165902 /nfs/dbraw/zinc/16/59/02/609165902.db2.gz UIOJPADGCGLMNH-ZDUSSCGKSA-N -1 3 361.406 0.963 20 50 FCGDHM Cc1cc(C(=O)NNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c(C)o1 ZINC000826259964 609183680 /nfs/dbraw/zinc/18/36/80/609183680.db2.gz ONMPSBLXSZNGHE-ZDUSSCGKSA-N -1 3 356.342 0.571 20 50 FCGDHM Cc1cc(C(=O)NNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c(C)o1 ZINC000826259964 609183682 /nfs/dbraw/zinc/18/36/82/609183682.db2.gz ONMPSBLXSZNGHE-ZDUSSCGKSA-N -1 3 356.342 0.571 20 50 FCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)Cc1ccccc1O ZINC000826418938 609183820 /nfs/dbraw/zinc/18/38/20/609183820.db2.gz CIXIDXJZEPNNFY-UHFFFAOYSA-N -1 3 368.353 0.341 20 50 FCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)Cc1ccccc1O ZINC000826418938 609183821 /nfs/dbraw/zinc/18/38/21/609183821.db2.gz CIXIDXJZEPNNFY-UHFFFAOYSA-N -1 3 368.353 0.341 20 50 FCGDHM O=C([N-]NC(=O)[C@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1F ZINC000826444904 609184144 /nfs/dbraw/zinc/18/41/44/609184144.db2.gz YXRIUYPGFQHOPL-CYBMUJFWSA-N -1 3 356.317 0.500 20 50 FCGDHM O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826434722 609198175 /nfs/dbraw/zinc/19/81/75/609198175.db2.gz VUEDJNSJTKADOB-JTQLQIEISA-N -1 3 356.390 0.504 20 50 FCGDHM O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826434722 609198176 /nfs/dbraw/zinc/19/81/76/609198176.db2.gz VUEDJNSJTKADOB-JTQLQIEISA-N -1 3 356.390 0.504 20 50 FCGDHM CCNC(=O)N(C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825471321 609266648 /nfs/dbraw/zinc/26/66/48/609266648.db2.gz RTBZPZXKPSAUMW-WDZFZDKYSA-N -1 3 357.378 0.113 20 50 FCGDHM COC[C@@H](CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)OC ZINC000826149183 609311820 /nfs/dbraw/zinc/31/18/20/609311820.db2.gz BFEINHPFHIOPBW-QWGHSUKYSA-N -1 3 359.390 0.198 20 50 FCGDHM COC[C@@H](CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)OC ZINC000826149183 609311822 /nfs/dbraw/zinc/31/18/22/609311822.db2.gz BFEINHPFHIOPBW-QWGHSUKYSA-N -1 3 359.390 0.198 20 50 FCGDHM C[C@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1F ZINC000824953917 609374134 /nfs/dbraw/zinc/37/41/34/609374134.db2.gz IASLGSLCDDPSSQ-GWCFXTLKSA-N -1 3 361.381 0.308 20 50 FCGDHM C[C@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1F ZINC000824953917 609374135 /nfs/dbraw/zinc/37/41/35/609374135.db2.gz IASLGSLCDDPSSQ-GWCFXTLKSA-N -1 3 361.381 0.308 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2ncon2)cc(-c2nnn[n-]2)n1C ZINC000826235403 609395697 /nfs/dbraw/zinc/39/56/97/609395697.db2.gz JIZPUFUODONXLQ-TYXSZMRMSA-N -1 3 353.346 0.681 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2ncon2)cc(-c2nn[n-]n2)n1C ZINC000826235403 609395699 /nfs/dbraw/zinc/39/56/99/609395699.db2.gz JIZPUFUODONXLQ-TYXSZMRMSA-N -1 3 353.346 0.681 20 50 FCGDHM CC(C)c1nccn1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824364687 609515796 /nfs/dbraw/zinc/51/57/96/609515796.db2.gz PZGHXODTOIHLJN-UHFFFAOYSA-N -1 3 354.374 0.648 20 50 FCGDHM CC[C@@H](C)[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825050029 609640543 /nfs/dbraw/zinc/64/05/43/609640543.db2.gz GFRHVRFAITUUKR-GHMZBOCLSA-N -1 3 374.401 0.853 20 50 FCGDHM CC[C@@H](C)[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825050029 609640544 /nfs/dbraw/zinc/64/05/44/609640544.db2.gz GFRHVRFAITUUKR-GHMZBOCLSA-N -1 3 374.401 0.853 20 50 FCGDHM Cc1ncsc1C(=O)NN[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737500104 945084958 /nfs/dbraw/zinc/08/49/58/945084958.db2.gz OAOGBHZECDTASH-JTQLQIEISA-N -1 3 358.387 0.093 20 50 FCGDHM Cc1ncsc1C(=O)NN[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737500104 945084963 /nfs/dbraw/zinc/08/49/63/945084963.db2.gz OAOGBHZECDTASH-JTQLQIEISA-N -1 3 358.387 0.093 20 50 FCGDHM Cc1noc(CCCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000737534983 945092405 /nfs/dbraw/zinc/09/24/05/945092405.db2.gz OTXLCKGLUSMQBI-UHFFFAOYSA-N -1 3 356.346 0.342 20 50 FCGDHM Cc1noc(CCCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000737534983 945092416 /nfs/dbraw/zinc/09/24/16/945092416.db2.gz OTXLCKGLUSMQBI-UHFFFAOYSA-N -1 3 356.346 0.342 20 50 FCGDHM Cc1noc(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)n1 ZINC000737544784 945092795 /nfs/dbraw/zinc/09/27/95/945092795.db2.gz ANJKLIPLSUTJLS-NYYWCZLTSA-N -1 3 353.346 0.428 20 50 FCGDHM Cc1noc(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1 ZINC000737544784 945092805 /nfs/dbraw/zinc/09/28/05/945092805.db2.gz ANJKLIPLSUTJLS-NYYWCZLTSA-N -1 3 353.346 0.428 20 50 FCGDHM N#Cc1ccc([C@@H](NNC(=O)c2cccc(-c3nnn[n-]3)c2)C(N)=O)cc1 ZINC000737712423 945115254 /nfs/dbraw/zinc/11/52/54/945115254.db2.gz PUMPUKMUJNDGCR-CQSZACIVSA-N -1 3 362.353 0.199 20 50 FCGDHM N#Cc1ccc([C@@H](NNC(=O)c2cccc(-c3nn[n-]n3)c2)C(N)=O)cc1 ZINC000737712423 945115257 /nfs/dbraw/zinc/11/52/57/945115257.db2.gz PUMPUKMUJNDGCR-CQSZACIVSA-N -1 3 362.353 0.199 20 50 FCGDHM NC(=O)[C@H](NNC(=O)Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736032 945118929 /nfs/dbraw/zinc/11/89/29/945118929.db2.gz HAIAERKMBSPAOY-OAHLLOKOSA-N -1 3 369.360 0.396 20 50 FCGDHM NC(=O)[C@H](NNC(=O)Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736032 945118933 /nfs/dbraw/zinc/11/89/33/945118933.db2.gz HAIAERKMBSPAOY-OAHLLOKOSA-N -1 3 369.360 0.396 20 50 FCGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNC(=O)CC1CCCC1 ZINC000737889823 945144244 /nfs/dbraw/zinc/14/42/44/945144244.db2.gz QUCFEHKYWUKRQL-UHFFFAOYSA-N -1 3 371.401 0.324 20 50 FCGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNC(=O)CC1CCCC1 ZINC000737889823 945144249 /nfs/dbraw/zinc/14/42/49/945144249.db2.gz QUCFEHKYWUKRQL-UHFFFAOYSA-N -1 3 371.401 0.324 20 50 FCGDHM O=C(CCn1cc(Cl)cn1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737864562 945141164 /nfs/dbraw/zinc/14/11/64/945141164.db2.gz ZXOASRNJOPGKEV-UHFFFAOYSA-N -1 3 360.765 0.568 20 50 FCGDHM O=C(CCn1cc(Cl)cn1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737864562 945141173 /nfs/dbraw/zinc/14/11/73/945141173.db2.gz ZXOASRNJOPGKEV-UHFFFAOYSA-N -1 3 360.765 0.568 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)N[C@H]1CC=CCC1 ZINC000737919819 945153963 /nfs/dbraw/zinc/15/39/63/945153963.db2.gz XTGQTQOZYGJERM-LBPRGKRZSA-N -1 3 357.374 0.685 20 50 FCGDHM O=C(NCCCn1cccn1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738075233 945180785 /nfs/dbraw/zinc/18/07/85/945180785.db2.gz LSVLBEPHSZSXRT-UHFFFAOYSA-N -1 3 355.362 0.098 20 50 FCGDHM O=C(NCCCn1cccn1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738075233 945180789 /nfs/dbraw/zinc/18/07/89/945180789.db2.gz LSVLBEPHSZSXRT-UHFFFAOYSA-N -1 3 355.362 0.098 20 50 FCGDHM O=C(NCC[C@H](O)C(F)(F)F)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738057181 945181179 /nfs/dbraw/zinc/18/11/79/945181179.db2.gz YHAFCDTWHUCXOD-VIFPVBQESA-N -1 3 373.295 0.124 20 50 FCGDHM O=C(NCC[C@H](O)C(F)(F)F)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738057181 945181188 /nfs/dbraw/zinc/18/11/88/945181188.db2.gz YHAFCDTWHUCXOD-VIFPVBQESA-N -1 3 373.295 0.124 20 50 FCGDHM C[C@@H](C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cccnc1 ZINC000819866189 945299984 /nfs/dbraw/zinc/29/99/84/945299984.db2.gz KJYSQHSYGZLBEV-LLVKDONJSA-N -1 3 367.369 0.592 20 50 FCGDHM CC(C)(C)CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819907677 945311273 /nfs/dbraw/zinc/31/12/73/945311273.db2.gz PODVDGWELBHFII-UHFFFAOYSA-N -1 3 360.374 0.607 20 50 FCGDHM CC(C)(C)CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819907677 945311281 /nfs/dbraw/zinc/31/12/81/945311281.db2.gz PODVDGWELBHFII-UHFFFAOYSA-N -1 3 360.374 0.607 20 50 FCGDHM CC(C)(C)OC(=O)NNC(=O)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000819940053 945315880 /nfs/dbraw/zinc/31/58/80/945315880.db2.gz OEODGHMKVPBWPZ-UHFFFAOYSA-N -1 3 363.378 0.984 20 50 FCGDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)c1ccc[nH]1 ZINC000820001716 945327326 /nfs/dbraw/zinc/32/73/26/945327326.db2.gz ZWLRDSLGTKTSKL-UHFFFAOYSA-N -1 3 355.358 0.813 20 50 FCGDHM CC(C)CO[C@@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820096904 945350036 /nfs/dbraw/zinc/35/00/36/945350036.db2.gz ICDJTNUPSNMKOT-CQSZACIVSA-N -1 3 373.417 0.968 20 50 FCGDHM CC(C)CO[C@@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820096904 945350046 /nfs/dbraw/zinc/35/00/46/945350046.db2.gz ICDJTNUPSNMKOT-CQSZACIVSA-N -1 3 373.417 0.968 20 50 FCGDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@@H](C)C(=O)NNC(=O)CC ZINC000735418119 944648721 /nfs/dbraw/zinc/64/87/21/944648721.db2.gz BBSOEODRNAURJF-LBPRGKRZSA-N -1 3 357.418 0.801 20 50 FCGDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@@H](C)C(=O)NNC(=O)CC ZINC000735418119 944648726 /nfs/dbraw/zinc/64/87/26/944648726.db2.gz BBSOEODRNAURJF-LBPRGKRZSA-N -1 3 357.418 0.801 20 50 FCGDHM CC(C)(C)C(=O)NNC(=O)N1CCN(c2cc(-c3nnn[n-]3)ccn2)CC1 ZINC000735589481 944675184 /nfs/dbraw/zinc/67/51/84/944675184.db2.gz LKCKYALNFQRIOS-UHFFFAOYSA-N -1 3 373.421 0.171 20 50 FCGDHM CC(C)(C)C(=O)NNC(=O)N1CCN(c2cc(-c3nn[n-]n3)ccn2)CC1 ZINC000735589481 944675189 /nfs/dbraw/zinc/67/51/89/944675189.db2.gz LKCKYALNFQRIOS-UHFFFAOYSA-N -1 3 373.421 0.171 20 50 FCGDHM CC(C)(C)C[C@@H](O)CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735604376 944678806 /nfs/dbraw/zinc/67/88/06/944678806.db2.gz VOJXNHMCOINDTL-GFCCVEGCSA-N -1 3 361.406 0.608 20 50 FCGDHM CC(C)(C)C[C@@H](O)CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735604376 944678812 /nfs/dbraw/zinc/67/88/12/944678812.db2.gz VOJXNHMCOINDTL-GFCCVEGCSA-N -1 3 361.406 0.608 20 50 FCGDHM CC(C)(C)CC(=O)NNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000735595120 944679388 /nfs/dbraw/zinc/67/93/88/944679388.db2.gz YSQJFMKICYRWBF-UHFFFAOYSA-N -1 3 361.410 0.440 20 50 FCGDHM CC(C)(C)CC(=O)NNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000735595120 944679396 /nfs/dbraw/zinc/67/93/96/944679396.db2.gz YSQJFMKICYRWBF-UHFFFAOYSA-N -1 3 361.410 0.440 20 50 FCGDHM CC(C)(C)NC(=O)CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735622899 944680436 /nfs/dbraw/zinc/68/04/36/944680436.db2.gz IJEFKLKAYLMGQA-UHFFFAOYSA-N -1 3 374.405 0.116 20 50 FCGDHM CC(C)(C)NC(=O)CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735622899 944680443 /nfs/dbraw/zinc/68/04/43/944680443.db2.gz IJEFKLKAYLMGQA-UHFFFAOYSA-N -1 3 374.405 0.116 20 50 FCGDHM CC(C)[C@@H](C)CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735703531 944692101 /nfs/dbraw/zinc/69/21/01/944692101.db2.gz UMXCVRMVTSFINI-NSHDSACASA-N -1 3 361.406 0.868 20 50 FCGDHM CC(C)[C@@H](C)CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735703531 944692108 /nfs/dbraw/zinc/69/21/08/944692108.db2.gz UMXCVRMVTSFINI-NSHDSACASA-N -1 3 361.406 0.868 20 50 FCGDHM CC(C)CCC(=O)NNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000735794722 944702019 /nfs/dbraw/zinc/70/20/19/944702019.db2.gz CFHDGFHJCNHWNY-UHFFFAOYSA-N -1 3 361.410 0.440 20 50 FCGDHM CC(C)CCC(=O)NNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000735794722 944702025 /nfs/dbraw/zinc/70/20/25/944702025.db2.gz CFHDGFHJCNHWNY-UHFFFAOYSA-N -1 3 361.410 0.440 20 50 FCGDHM CC(C)CN1C[C@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000735830074 944704052 /nfs/dbraw/zinc/70/40/52/944704052.db2.gz CGXKMRRVQVLFNT-CYBMUJFWSA-N -1 3 371.401 0.132 20 50 FCGDHM CC(C)CN1C[C@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000735830074 944704058 /nfs/dbraw/zinc/70/40/58/944704058.db2.gz CGXKMRRVQVLFNT-CYBMUJFWSA-N -1 3 371.401 0.132 20 50 FCGDHM C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736096510 944737888 /nfs/dbraw/zinc/73/78/88/944737888.db2.gz MVXALCTVFQWCCJ-VIFPVBQESA-N -1 3 359.390 0.179 20 50 FCGDHM C[C@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736096510 944737896 /nfs/dbraw/zinc/73/78/96/944737896.db2.gz MVXALCTVFQWCCJ-VIFPVBQESA-N -1 3 359.390 0.179 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccnc1 ZINC000736116777 944740994 /nfs/dbraw/zinc/74/09/94/944740994.db2.gz GXKBXECIFAQDMF-JTQLQIEISA-N -1 3 352.358 0.967 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccnc1 ZINC000736116777 944740998 /nfs/dbraw/zinc/74/09/98/944740998.db2.gz GXKBXECIFAQDMF-JTQLQIEISA-N -1 3 352.358 0.967 20 50 FCGDHM COC(=O)N(C)CCCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736932634 944911620 /nfs/dbraw/zinc/91/16/20/944911620.db2.gz PTZUMETUIBNKEL-UHFFFAOYSA-N -1 3 361.362 0.106 20 50 FCGDHM COC(=O)N(C)CCCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736932634 944911628 /nfs/dbraw/zinc/91/16/28/944911628.db2.gz PTZUMETUIBNKEL-UHFFFAOYSA-N -1 3 361.362 0.106 20 50 FCGDHM COC(=O)N[C@@H](C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736935977 944915506 /nfs/dbraw/zinc/91/55/06/944915506.db2.gz MAESYLITPIANFW-LLVKDONJSA-N -1 3 361.362 0.008 20 50 FCGDHM COC(=O)N[C@@H](C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736935977 944915514 /nfs/dbraw/zinc/91/55/14/944915514.db2.gz MAESYLITPIANFW-LLVKDONJSA-N -1 3 361.362 0.008 20 50 FCGDHM CO[C@@H](C)CCNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736957249 944919690 /nfs/dbraw/zinc/91/96/90/944919690.db2.gz GRAVLQUCBDTIGW-JTQLQIEISA-N -1 3 363.378 0.001 20 50 FCGDHM CO[C@@H](C)CCNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736957249 944919695 /nfs/dbraw/zinc/91/96/95/944919695.db2.gz GRAVLQUCBDTIGW-JTQLQIEISA-N -1 3 363.378 0.001 20 50 FCGDHM COC[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CCO1 ZINC000736976181 944925076 /nfs/dbraw/zinc/92/50/76/944925076.db2.gz JNPUSCNQBGDFOK-BLXFFLACSA-N -1 3 371.401 0.294 20 50 FCGDHM COC[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CCO1 ZINC000736976181 944925083 /nfs/dbraw/zinc/92/50/83/944925083.db2.gz JNPUSCNQBGDFOK-BLXFFLACSA-N -1 3 371.401 0.294 20 50 FCGDHM COCCOC[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000737005679 944931469 /nfs/dbraw/zinc/93/14/69/944931469.db2.gz IWQBJDYFADSTOJ-NGPAHMQLSA-N -1 3 373.417 0.588 20 50 FCGDHM COCCOC[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000737005679 944931473 /nfs/dbraw/zinc/93/14/73/944931473.db2.gz IWQBJDYFADSTOJ-NGPAHMQLSA-N -1 3 373.417 0.588 20 50 FCGDHM COCCn1cc(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000737016785 944933387 /nfs/dbraw/zinc/93/33/87/944933387.db2.gz ORMHMEJGHLAQTP-UHFFFAOYSA-N -1 3 371.361 0.176 20 50 FCGDHM COCCn1cc(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000737016785 944933389 /nfs/dbraw/zinc/93/33/89/944933389.db2.gz ORMHMEJGHLAQTP-UHFFFAOYSA-N -1 3 371.361 0.176 20 50 FCGDHM COc1ccc(C=NNC(=O)Cn2nc(C)cc2C)cc1-c1nnn[n-]1 ZINC000737081625 944952423 /nfs/dbraw/zinc/95/24/23/944952423.db2.gz PYWLOBNUUNWOKV-UHFFFAOYSA-N -1 3 354.374 0.839 20 50 FCGDHM COc1ccc(C=NNC(=O)Cn2nc(C)cc2C)cc1-c1nn[n-]n1 ZINC000737081625 944952428 /nfs/dbraw/zinc/95/24/28/944952428.db2.gz PYWLOBNUUNWOKV-UHFFFAOYSA-N -1 3 354.374 0.839 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2nccn2C)cc(-c2nnn[n-]2)n1C ZINC000737211586 944987526 /nfs/dbraw/zinc/98/75/26/944987526.db2.gz DGOAMYVKQHAPNT-SDQBBNPISA-N -1 3 351.374 0.471 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2nccn2C)cc(-c2nn[n-]n2)n1C ZINC000737211586 944987531 /nfs/dbraw/zinc/98/75/31/944987531.db2.gz DGOAMYVKQHAPNT-SDQBBNPISA-N -1 3 351.374 0.471 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCn3cnnc3C2)cc(-c2nnn[n-]2)n1C ZINC000737212654 944994828 /nfs/dbraw/zinc/99/48/28/944994828.db2.gz LURUTCNFZUMCLY-XGICHPGQSA-N -1 3 364.373 0.055 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCn3cnnc3C2)cc(-c2nn[n-]n2)n1C ZINC000737212654 944994835 /nfs/dbraw/zinc/99/48/35/944994835.db2.gz LURUTCNFZUMCLY-XGICHPGQSA-N -1 3 364.373 0.055 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)Cc2cc[nH]n2)cc(-c2nn[n-]n2)n1C ZINC000737213475 945002952 /nfs/dbraw/zinc/00/29/52/945002952.db2.gz TZQIILMDYHSMFX-WUXMJOGZSA-N -1 3 351.374 0.802 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)Cc2cc[nH]n2)cc(-c2nn[n-]n2)n1C ZINC000737213474 945003276 /nfs/dbraw/zinc/00/32/76/945003276.db2.gz TZQIILMDYHSMFX-SDQBBNPISA-N -1 3 351.374 0.802 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](C)C[C@@H](C)O)cc(-c2nnn[n-]2)n1C ZINC000737213877 945008370 /nfs/dbraw/zinc/00/83/70/945008370.db2.gz YDKJMZBIXORBRH-KUIAZUQKSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](C)C[C@@H](C)O)cc(-c2nn[n-]n2)n1C ZINC000737213877 945008379 /nfs/dbraw/zinc/00/83/79/945008379.db2.gz YDKJMZBIXORBRH-KUIAZUQKSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCC(=O)N(C)C2)cc(-c2nnn[n-]2)n1C ZINC000737214000 945010241 /nfs/dbraw/zinc/01/02/41/945010241.db2.gz ZLWNETDZWCYKON-UWUHSAQLSA-N -1 3 368.401 0.158 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCC(=O)N(C)C2)cc(-c2nn[n-]n2)n1C ZINC000737214000 945010254 /nfs/dbraw/zinc/01/02/54/945010254.db2.gz ZLWNETDZWCYKON-UWUHSAQLSA-N -1 3 368.401 0.158 20 50 FCGDHM Cc1cc(CN(C)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000737263919 945025731 /nfs/dbraw/zinc/02/57/31/945025731.db2.gz XWIZZTRGTCJIFW-UHFFFAOYSA-N -1 3 356.346 0.650 20 50 FCGDHM Cc1cc(CN(C)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000737263919 945025741 /nfs/dbraw/zinc/02/57/41/945025741.db2.gz XWIZZTRGTCJIFW-UHFFFAOYSA-N -1 3 356.346 0.650 20 50 FCGDHM Cc1ccc([C@H](O)CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737318080 945036793 /nfs/dbraw/zinc/03/67/93/945036793.db2.gz AZVZTZXGTOSNCU-GFCCVEGCSA-N -1 3 371.357 0.446 20 50 FCGDHM Cc1ccc([C@H](O)CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000737318080 945036799 /nfs/dbraw/zinc/03/67/99/945036799.db2.gz AZVZTZXGTOSNCU-GFCCVEGCSA-N -1 3 371.357 0.446 20 50 FCGDHM Cc1ccc(NNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)nc1 ZINC000737362951 945049048 /nfs/dbraw/zinc/04/90/48/945049048.db2.gz ZMTJCVWHGNISLV-UHFFFAOYSA-N -1 3 354.378 0.703 20 50 FCGDHM Cc1ccc(NNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)nc1 ZINC000737362951 945049055 /nfs/dbraw/zinc/04/90/55/945049055.db2.gz ZMTJCVWHGNISLV-UHFFFAOYSA-N -1 3 354.378 0.703 20 50 FCGDHM C[C@@H](C[C@H]1CCOC1)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820234238 945392780 /nfs/dbraw/zinc/39/27/80/945392780.db2.gz MSTYZTAJSMPNOC-WDEREUQCSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@@H](C[C@H]1CCOC1)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820234238 945392792 /nfs/dbraw/zinc/39/27/92/945392792.db2.gz MSTYZTAJSMPNOC-WDEREUQCSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820233852 945393132 /nfs/dbraw/zinc/39/31/32/945393132.db2.gz LTROZDOHBOSGQH-MNOVXSKESA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820233852 945393148 /nfs/dbraw/zinc/39/31/48/945393148.db2.gz LTROZDOHBOSGQH-MNOVXSKESA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cnn(C)c1 ZINC000820372930 945434765 /nfs/dbraw/zinc/43/47/65/945434765.db2.gz DKNIQRUXBJNQBT-VIFPVBQESA-N -1 3 355.362 0.305 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cnn(C)c1 ZINC000820372930 945434769 /nfs/dbraw/zinc/43/47/69/945434769.db2.gz DKNIQRUXBJNQBT-VIFPVBQESA-N -1 3 355.362 0.305 20 50 FCGDHM C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCS1 ZINC000820752854 945551923 /nfs/dbraw/zinc/55/19/23/945551923.db2.gz STQUCMGUMOUTNQ-SNVBAGLBSA-N -1 3 361.431 0.065 20 50 FCGDHM C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCS1 ZINC000820752854 945551930 /nfs/dbraw/zinc/55/19/30/945551930.db2.gz STQUCMGUMOUTNQ-SNVBAGLBSA-N -1 3 361.431 0.065 20 50 FCGDHM CCC(C)(C)CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820847982 945570143 /nfs/dbraw/zinc/57/01/43/945570143.db2.gz OXOVETNBFRPHFW-UHFFFAOYSA-N -1 3 374.401 0.997 20 50 FCGDHM CCC(C)(C)CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820847982 945570146 /nfs/dbraw/zinc/57/01/46/945570146.db2.gz OXOVETNBFRPHFW-UHFFFAOYSA-N -1 3 374.401 0.997 20 50 FCGDHM CCC[C@H]1C[C@H]1NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821034738 945618678 /nfs/dbraw/zinc/61/86/78/945618678.db2.gz SIUKVUQRSSRJOM-WCQYABFASA-N -1 3 359.390 0.765 20 50 FCGDHM CCN(CC)c1cc[nH]c(=NNC(=O)c2ccc(-c3nnn[n-]3)cn2)n1 ZINC000821198326 945653904 /nfs/dbraw/zinc/65/39/04/945653904.db2.gz RNWJKGLZGUICJE-UHFFFAOYSA-N -1 3 354.378 0.655 20 50 FCGDHM CCN(CC)c1cc[nH]c(=NNC(=O)c2ccc(-c3nn[n-]n3)cn2)n1 ZINC000821198326 945653910 /nfs/dbraw/zinc/65/39/10/945653910.db2.gz RNWJKGLZGUICJE-UHFFFAOYSA-N -1 3 354.378 0.655 20 50 FCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)Cc1ccoc1 ZINC000821593751 945732483 /nfs/dbraw/zinc/73/24/83/945732483.db2.gz ILJLPCZFOPFVDA-UHFFFAOYSA-N -1 3 355.358 0.353 20 50 FCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)Cc1ccoc1 ZINC000821593751 945732492 /nfs/dbraw/zinc/73/24/92/945732492.db2.gz ILJLPCZFOPFVDA-UHFFFAOYSA-N -1 3 355.358 0.353 20 50 FCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)Cc1cccs1 ZINC000821594072 945733049 /nfs/dbraw/zinc/73/30/49/945733049.db2.gz XMZHTZDXEUBZMN-UHFFFAOYSA-N -1 3 371.426 0.821 20 50 FCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)Cc1cccs1 ZINC000821594072 945733059 /nfs/dbraw/zinc/73/30/59/945733059.db2.gz XMZHTZDXEUBZMN-UHFFFAOYSA-N -1 3 371.426 0.821 20 50 FCGDHM CNC(=O)[C@H](C)CN(C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821629820 945757794 /nfs/dbraw/zinc/75/77/94/945757794.db2.gz CJDJYABZQMQWMM-YRVKEHPISA-N -1 3 370.417 0.261 20 50 FCGDHM CNC(=O)[C@H](C)CN(C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821629820 945757801 /nfs/dbraw/zinc/75/78/01/945757801.db2.gz CJDJYABZQMQWMM-YRVKEHPISA-N -1 3 370.417 0.261 20 50 FCGDHM COC[C@@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000821682876 945806441 /nfs/dbraw/zinc/80/64/41/945806441.db2.gz PSPNACUXRZCTHH-GFCCVEGCSA-N -1 3 371.357 0.791 20 50 FCGDHM COC[C@@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000821682876 945806451 /nfs/dbraw/zinc/80/64/51/945806451.db2.gz PSPNACUXRZCTHH-GFCCVEGCSA-N -1 3 371.357 0.791 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)Nc2c[nH]c(C(N)=O)c2)cc(-c2nnn[n-]2)n1C ZINC000822029061 945952370 /nfs/dbraw/zinc/95/23/70/945952370.db2.gz UVBBFZPQSHGOPC-XCVCLJGOSA-N -1 3 365.357 0.486 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)Nc2c[nH]c(C(N)=O)c2)cc(-c2nn[n-]n2)n1C ZINC000822029061 945952378 /nfs/dbraw/zinc/95/23/78/945952378.db2.gz UVBBFZPQSHGOPC-XCVCLJGOSA-N -1 3 365.357 0.486 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OC[C@@H]2COC(=O)O2)cc(-c2nnn[n-]2)n1C ZINC000822029435 945957659 /nfs/dbraw/zinc/95/76/59/945957659.db2.gz YRMLBSNHNRWAPA-JNZVDCKRSA-N -1 3 358.314 0.499 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OC[C@@H]2COC(=O)O2)cc(-c2nn[n-]n2)n1C ZINC000822029435 945957667 /nfs/dbraw/zinc/95/76/67/945957667.db2.gz YRMLBSNHNRWAPA-JNZVDCKRSA-N -1 3 358.314 0.499 20 50 FCGDHM Cc1cc(C)n(CC(=O)NNC(=O)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000822197494 945981617 /nfs/dbraw/zinc/98/16/17/945981617.db2.gz CNZHZLFLTRFULA-UHFFFAOYSA-N -1 3 354.374 0.070 20 50 FCGDHM Cc1cc(C)n(CC(=O)NNC(=O)Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000822197494 945981626 /nfs/dbraw/zinc/98/16/26/945981626.db2.gz CNZHZLFLTRFULA-UHFFFAOYSA-N -1 3 354.374 0.070 20 50 FCGDHM Cc1nn(C)c(C)c1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822492339 946105722 /nfs/dbraw/zinc/10/57/22/946105722.db2.gz XUEKOHBFEONNPY-UHFFFAOYSA-N -1 3 369.389 0.361 20 50 FCGDHM Cc1nn(C)c(C)c1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822492339 946105728 /nfs/dbraw/zinc/10/57/28/946105728.db2.gz XUEKOHBFEONNPY-UHFFFAOYSA-N -1 3 369.389 0.361 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NN=c1[nH]c2ccccc2c(=O)n1C ZINC000822645869 946146470 /nfs/dbraw/zinc/14/64/70/946146470.db2.gz UEFBYQXDALVDQI-UHFFFAOYSA-N -1 3 365.357 0.209 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NN=c1[nH]c2ccccc2c(=O)n1C ZINC000822645869 946146476 /nfs/dbraw/zinc/14/64/76/946146476.db2.gz UEFBYQXDALVDQI-UHFFFAOYSA-N -1 3 365.357 0.209 20 50 FCGDHM Nc1c(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cccc1[N+](=O)[O-] ZINC000822904325 946215734 /nfs/dbraw/zinc/21/57/34/946215734.db2.gz VWOBMSUAXDRISB-UHFFFAOYSA-N -1 3 368.313 0.432 20 50 FCGDHM Nc1c(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cccc1[N+](=O)[O-] ZINC000822904325 946215745 /nfs/dbraw/zinc/21/57/45/946215745.db2.gz VWOBMSUAXDRISB-UHFFFAOYSA-N -1 3 368.313 0.432 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCCC1CCC1 ZINC000823036354 946283056 /nfs/dbraw/zinc/28/30/56/946283056.db2.gz AHQIQDRTPBZRAN-UHFFFAOYSA-N -1 3 359.390 0.766 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCCn1cccc1 ZINC000823036553 946285755 /nfs/dbraw/zinc/28/57/55/946285755.db2.gz GWZDAZHOTFGPDZ-UHFFFAOYSA-N -1 3 370.373 0.078 20 50 FCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)Cc1ccncc1 ZINC000823050246 946295945 /nfs/dbraw/zinc/29/59/45/946295945.db2.gz SJMHDNRPCSYBSS-UHFFFAOYSA-N -1 3 353.342 0.031 20 50 FCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)Cc1ccncc1 ZINC000823050246 946295952 /nfs/dbraw/zinc/29/59/52/946295952.db2.gz SJMHDNRPCSYBSS-UHFFFAOYSA-N -1 3 353.342 0.031 20 50 FCGDHM COc1ccc(NCC(=O)NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826210438 947615454 /nfs/dbraw/zinc/61/54/54/947615454.db2.gz RQPSOUXRIYFILE-UHFFFAOYSA-N -1 3 356.346 0.077 20 50 FCGDHM COc1ccc(NCC(=O)NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826210438 947615463 /nfs/dbraw/zinc/61/54/63/947615463.db2.gz RQPSOUXRIYFILE-UHFFFAOYSA-N -1 3 356.346 0.077 20 50 FCGDHM CC(C)c1noc(NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC001574442067 949090066 /nfs/dbraw/zinc/09/00/66/949090066.db2.gz KPORCTZLMRVYLG-UHFFFAOYSA-N -1 3 357.334 0.840 20 50 FCGDHM CC(C)c1noc(NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC001574442067 949090084 /nfs/dbraw/zinc/09/00/84/949090084.db2.gz KPORCTZLMRVYLG-UHFFFAOYSA-N -1 3 357.334 0.840 20 50 FCGDHM Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)NN=c2[nH]cccc2C(=O)[O-])cn1 ZINC001574022651 961978607 /nfs/dbraw/zinc/97/86/07/961978607.db2.gz OSTHLZFRLFXQEP-OCCSQVGLSA-N -1 3 358.402 0.692 20 50 FCGDHM CC(C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)S(=O)(=O)C1CCOCC1 ZINC001589422639 986667156 /nfs/dbraw/zinc/66/71/56/986667156.db2.gz GWNXPSMBAZXBQU-SECBINFHSA-N -1 3 357.388 0.205 20 50 FCGDHM COc1cc(C(=O)[O-])ccc1NNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC001599376824 998500418 /nfs/dbraw/zinc/50/04/18/998500418.db2.gz ZZQDIEWODCHJKW-GFCCVEGCSA-N -1 3 364.402 0.247 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(N2CCOCC2)nc1 ZINC000826446837 607342003 /nfs/dbraw/zinc/34/20/03/607342003.db2.gz ASPZTELGLNTDFK-UHFFFAOYSA-N -1 3 366.385 0.855 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000826446215 607343528 /nfs/dbraw/zinc/34/35/28/607343528.db2.gz DFCVTIONYDJHAG-ZJUUUORDSA-N -1 3 369.307 0.767 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000826446727 607346978 /nfs/dbraw/zinc/34/69/78/607346978.db2.gz WAFGEJGTSRGNPF-LBPRGKRZSA-N -1 3 367.369 0.952 20 50 FCGDHM O=C(Cn1ncc2ccccc2c1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826425485 607349593 /nfs/dbraw/zinc/34/95/93/607349593.db2.gz GIFZDQSYZVAHQI-UHFFFAOYSA-N -1 3 362.353 0.720 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000826446120 607355596 /nfs/dbraw/zinc/35/55/96/607355596.db2.gz AKLJVIMQDYBQBD-VIFPVBQESA-N -1 3 369.307 0.721 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCc3c[nH]nc3C2)cc(-c2nn[n-]n2)n1C ZINC000826235873 607568924 /nfs/dbraw/zinc/56/89/24/607568924.db2.gz TUBGYYGYPFVVCF-ACAGNQJTSA-N -1 3 363.385 0.729 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNc1ccc(S(C)(=O)=O)cc1 ZINC000826358329 607672363 /nfs/dbraw/zinc/67/23/63/607672363.db2.gz PECUCVJUOPVUCN-UHFFFAOYSA-N -1 3 361.387 0.366 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNc1ccc(S(C)(=O)=O)cc1 ZINC000826358329 607672365 /nfs/dbraw/zinc/67/23/65/607672365.db2.gz PECUCVJUOPVUCN-UHFFFAOYSA-N -1 3 361.387 0.366 20 50 FCGDHM CCOc1ccc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1OC ZINC000825632109 607682614 /nfs/dbraw/zinc/68/26/14/607682614.db2.gz LHICWKCEINKNDN-UHFFFAOYSA-N -1 3 371.357 0.677 20 50 FCGDHM CCOc1ccc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1OC ZINC000825632109 607682616 /nfs/dbraw/zinc/68/26/16/607682616.db2.gz LHICWKCEINKNDN-UHFFFAOYSA-N -1 3 371.357 0.677 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000826448541 607723563 /nfs/dbraw/zinc/72/35/63/607723563.db2.gz ZEYKKHXVBNYTMM-LBPRGKRZSA-N -1 3 367.369 0.952 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000826448541 607723565 /nfs/dbraw/zinc/72/35/65/607723565.db2.gz ZEYKKHXVBNYTMM-LBPRGKRZSA-N -1 3 367.369 0.952 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCOC2(CCC2)C1 ZINC000823277616 607173479 /nfs/dbraw/zinc/17/34/79/607173479.db2.gz RYBFZRWWWFUXBX-CYBMUJFWSA-N -1 3 371.401 0.912 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCOC2(CCC2)C1 ZINC000823277616 607173480 /nfs/dbraw/zinc/17/34/80/607173480.db2.gz RYBFZRWWWFUXBX-CYBMUJFWSA-N -1 3 371.401 0.912 20 50 FCGDHM Cn1cnc2cc(C(=O)NNC(=O)c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000826365041 607806873 /nfs/dbraw/zinc/80/68/73/607806873.db2.gz YUZMQKJBWOSXTR-UHFFFAOYSA-N -1 3 362.353 0.828 20 50 FCGDHM Cn1cnc2cc(C(=O)NNC(=O)c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000826365041 607806874 /nfs/dbraw/zinc/80/68/74/607806874.db2.gz YUZMQKJBWOSXTR-UHFFFAOYSA-N -1 3 362.353 0.828 20 50 FCGDHM C[C@@H]1CSCCN1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825014597 607923240 /nfs/dbraw/zinc/92/32/40/607923240.db2.gz XMBFEPVMSSJJKH-SNVBAGLBSA-N -1 3 361.431 0.065 20 50 FCGDHM C[C@@H]1CSCCN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825014597 607923241 /nfs/dbraw/zinc/92/32/41/607923241.db2.gz XMBFEPVMSSJJKH-SNVBAGLBSA-N -1 3 361.431 0.065 20 50 FCGDHM O=C(NNC(=O)[C@H]1CCc2n[nH]cc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444667 607937033 /nfs/dbraw/zinc/93/70/33/607937033.db2.gz PPLATVGINUJGJY-NSHDSACASA-N -1 3 352.358 0.156 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2O)cc(-c2nnn[n-]2)n1C ZINC000826235946 607941579 /nfs/dbraw/zinc/94/15/79/607941579.db2.gz VBSHPVFGYLWCKX-HERRNLAMSA-N -1 3 355.402 0.840 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2O)cc(-c2nn[n-]n2)n1C ZINC000826235946 607941580 /nfs/dbraw/zinc/94/15/80/607941580.db2.gz VBSHPVFGYLWCKX-HERRNLAMSA-N -1 3 355.402 0.840 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)c1ccc[nH]1 ZINC000824498394 608032509 /nfs/dbraw/zinc/03/25/09/608032509.db2.gz GNHBSOCEIVCLQY-JTQLQIEISA-N -1 3 370.373 0.665 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)c1ccc[nH]1 ZINC000824498394 608032510 /nfs/dbraw/zinc/03/25/10/608032510.db2.gz GNHBSOCEIVCLQY-JTQLQIEISA-N -1 3 370.373 0.665 20 50 FCGDHM O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826449485 608142363 /nfs/dbraw/zinc/14/23/63/608142363.db2.gz VLTXSRFDARYBKA-UHFFFAOYSA-N -1 3 368.313 0.857 20 50 FCGDHM O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826449485 608142364 /nfs/dbraw/zinc/14/23/64/608142364.db2.gz VLTXSRFDARYBKA-UHFFFAOYSA-N -1 3 368.313 0.857 20 50 FCGDHM Cc1ccccc1C(=O)NNC(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826306096 608216308 /nfs/dbraw/zinc/21/63/08/608216308.db2.gz QCQPVBPINWYJAX-UHFFFAOYSA-N -1 3 352.358 0.443 20 50 FCGDHM Cc1ccccc1C(=O)NNC(=O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC000826306096 608216310 /nfs/dbraw/zinc/21/63/10/608216310.db2.gz QCQPVBPINWYJAX-UHFFFAOYSA-N -1 3 352.358 0.443 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCCn2ccnc2)cc(-c2nn[n-]n2)n1C ZINC000826235116 608252947 /nfs/dbraw/zinc/25/29/47/608252947.db2.gz BWQYVPOTYOJXCC-NTUHNPAUSA-N -1 3 352.358 0.861 20 50 FCGDHM C#CCCCCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823840679 608323276 /nfs/dbraw/zinc/32/32/76/608323276.db2.gz BCNQFDFGLQZEAD-UHFFFAOYSA-N -1 3 370.369 0.365 20 50 FCGDHM C#CCCCCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823840679 608323278 /nfs/dbraw/zinc/32/32/78/608323278.db2.gz BCNQFDFGLQZEAD-UHFFFAOYSA-N -1 3 370.369 0.365 20 50 FCGDHM CO[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826145645 608413734 /nfs/dbraw/zinc/41/37/34/608413734.db2.gz KIFQJSMMVGMLLM-CHWSQXEVSA-N -1 3 359.390 0.626 20 50 FCGDHM CO[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826145645 608413735 /nfs/dbraw/zinc/41/37/35/608413735.db2.gz KIFQJSMMVGMLLM-CHWSQXEVSA-N -1 3 359.390 0.626 20 50 FCGDHM COc1cccc(NNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826216995 609174311 /nfs/dbraw/zinc/17/43/11/609174311.db2.gz VJQNTUQYDQDEOR-UHFFFAOYSA-N -1 3 368.357 0.143 20 50 FCGDHM COc1cccc(NNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826216995 609174312 /nfs/dbraw/zinc/17/43/12/609174312.db2.gz VJQNTUQYDQDEOR-UHFFFAOYSA-N -1 3 368.357 0.143 20 50 FCGDHM O=C(NNc1ccccc1[N+](=O)[O-])[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826449174 609182696 /nfs/dbraw/zinc/18/26/96/609182696.db2.gz FMSLZPUTCWVTQK-CYBMUJFWSA-N -1 3 355.314 0.952 20 50 FCGDHM O=C(NNc1ccccc1[N+](=O)[O-])[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826449174 609182697 /nfs/dbraw/zinc/18/26/97/609182697.db2.gz FMSLZPUTCWVTQK-CYBMUJFWSA-N -1 3 355.314 0.952 20 50 FCGDHM N#CC1=CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000826380715 609222499 /nfs/dbraw/zinc/22/24/99/609222499.db2.gz KFHIPIOYXLANGS-UHFFFAOYSA-N -1 3 352.326 0.989 20 50 FCGDHM N#CC1=CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000826380715 609222500 /nfs/dbraw/zinc/22/25/00/609222500.db2.gz KFHIPIOYXLANGS-UHFFFAOYSA-N -1 3 352.326 0.989 20 50 FCGDHM CCn1c(=O)c2ccccc2[nH]c1=NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825796998 609422556 /nfs/dbraw/zinc/42/25/56/609422556.db2.gz SXWXBNWJDVNVAB-UHFFFAOYSA-N -1 3 365.357 0.682 20 50 FCGDHM CCn1c(=O)c2ccccc2[nH]c1=NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825796998 609422559 /nfs/dbraw/zinc/42/25/59/609422559.db2.gz SXWXBNWJDVNVAB-UHFFFAOYSA-N -1 3 365.357 0.682 20 50 FCGDHM C[C@]1(C#N)CCCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824780023 609607793 /nfs/dbraw/zinc/60/77/93/609607793.db2.gz ZUTBRBNVJMPQAW-MRXNPFEDSA-N -1 3 354.374 0.847 20 50 FCGDHM C[C@]1(C#N)CCCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824780023 609607795 /nfs/dbraw/zinc/60/77/95/609607795.db2.gz ZUTBRBNVJMPQAW-MRXNPFEDSA-N -1 3 354.374 0.847 20 50 FCGDHM CC/C(C)=C(\C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825050430 609639049 /nfs/dbraw/zinc/63/90/49/609639049.db2.gz JFGBGHKQWZPRFA-ZHACJKMWSA-N -1 3 372.385 0.917 20 50 FCGDHM CC/C(C)=C(\C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825050430 609639051 /nfs/dbraw/zinc/63/90/51/609639051.db2.gz JFGBGHKQWZPRFA-ZHACJKMWSA-N -1 3 372.385 0.917 20 50 FCGDHM Cc1nc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000737476879 945077472 /nfs/dbraw/zinc/07/74/72/945077472.db2.gz HUBLONQEZDCBTE-UHFFFAOYSA-N -1 3 358.387 0.776 20 50 FCGDHM Cc1nc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000737476879 945077484 /nfs/dbraw/zinc/07/74/84/945077484.db2.gz HUBLONQEZDCBTE-UHFFFAOYSA-N -1 3 358.387 0.776 20 50 FCGDHM Cc1noc(C)c1CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737536618 945092301 /nfs/dbraw/zinc/09/23/01/945092301.db2.gz KERFFCZXXVHMBZ-UHFFFAOYSA-N -1 3 370.373 0.658 20 50 FCGDHM Cc1noc(C)c1CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737536618 945092312 /nfs/dbraw/zinc/09/23/12/945092312.db2.gz KERFFCZXXVHMBZ-UHFFFAOYSA-N -1 3 370.373 0.658 20 50 FCGDHM N#Cc1ccc(C(=O)NN[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737713568 945115108 /nfs/dbraw/zinc/11/51/08/945115108.db2.gz ZATFJBHKSGLBLV-AWEZNQCLSA-N -1 3 362.353 0.199 20 50 FCGDHM N#Cc1ccc(C(=O)NN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737713568 945115112 /nfs/dbraw/zinc/11/51/12/945115112.db2.gz ZATFJBHKSGLBLV-AWEZNQCLSA-N -1 3 362.353 0.199 20 50 FCGDHM N#Cc1ccc(NCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737718686 945117079 /nfs/dbraw/zinc/11/70/79/945117079.db2.gz MFKDGZLFLLKWNA-UHFFFAOYSA-N -1 3 362.353 0.611 20 50 FCGDHM N#Cc1ccc(NCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737718686 945117085 /nfs/dbraw/zinc/11/70/85/945117085.db2.gz MFKDGZLFLLKWNA-UHFFFAOYSA-N -1 3 362.353 0.611 20 50 FCGDHM NC(=O)Nc1cccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737756104 945121865 /nfs/dbraw/zinc/12/18/65/945121865.db2.gz SFGLLDSSKMVSRF-UHFFFAOYSA-N -1 3 366.341 0.432 20 50 FCGDHM NC(=O)Nc1cccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737756104 945121871 /nfs/dbraw/zinc/12/18/71/945121871.db2.gz SFGLLDSSKMVSRF-UHFFFAOYSA-N -1 3 366.341 0.432 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)N[C@@H]1CC=CCC1 ZINC000737919818 945153835 /nfs/dbraw/zinc/15/38/35/945153835.db2.gz XTGQTQOZYGJERM-GFCCVEGCSA-N -1 3 357.374 0.685 20 50 FCGDHM O=C(CSCc1ccc(-c2nnn[n-]2)cc1)NNC(=O)Cc1cc[nH]n1 ZINC000737933521 945159523 /nfs/dbraw/zinc/15/95/23/945159523.db2.gz XIKZSUJMLSNOHH-UHFFFAOYSA-N -1 3 372.414 0.213 20 50 FCGDHM O=C(CSCc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1cc[nH]n1 ZINC000737933521 945159526 /nfs/dbraw/zinc/15/95/26/945159526.db2.gz XIKZSUJMLSNOHH-UHFFFAOYSA-N -1 3 372.414 0.213 20 50 FCGDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NNC(=O)c1ccncc1 ZINC000737941748 945161502 /nfs/dbraw/zinc/16/15/02/945161502.db2.gz QNCZPOQBWYKXFU-UHFFFAOYSA-N -1 3 355.383 0.815 20 50 FCGDHM O=C(CSc1cccc[n+]1[O-])NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737946063 945162903 /nfs/dbraw/zinc/16/29/03/945162903.db2.gz AFHLEEXASWIGDP-UHFFFAOYSA-N -1 3 371.382 0.053 20 50 FCGDHM O=C(CSc1cccc[n+]1[O-])NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737946063 945162910 /nfs/dbraw/zinc/16/29/10/945162910.db2.gz AFHLEEXASWIGDP-UHFFFAOYSA-N -1 3 371.382 0.053 20 50 FCGDHM O=C(Cc1cn2ccccc2n1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737974416 945168779 /nfs/dbraw/zinc/16/87/79/945168779.db2.gz AGACVAZCOIXVHH-UHFFFAOYSA-N -1 3 362.353 0.518 20 50 FCGDHM O=C(Cc1cn2ccccc2n1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737974416 945168783 /nfs/dbraw/zinc/16/87/83/945168783.db2.gz AGACVAZCOIXVHH-UHFFFAOYSA-N -1 3 362.353 0.518 20 50 FCGDHM O=C(NNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)NC1CC1 ZINC000738129518 945202675 /nfs/dbraw/zinc/20/26/75/945202675.db2.gz DIHUXYXWFKVGDU-ZDUSSCGKSA-N -1 3 356.390 0.328 20 50 FCGDHM O=C(NNC(=O)c1ccc2nccnc2c1)c1cccc(-c2nnn[n-]2)c1 ZINC000738136238 945232238 /nfs/dbraw/zinc/23/22/38/945232238.db2.gz IEUBYYGUNGJYAQ-UHFFFAOYSA-N -1 3 360.337 0.885 20 50 FCGDHM O=C(NNC(=O)c1ccc2nccnc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000738136238 945232243 /nfs/dbraw/zinc/23/22/43/945232243.db2.gz IEUBYYGUNGJYAQ-UHFFFAOYSA-N -1 3 360.337 0.885 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)NOCc1ccccc1 ZINC000738136845 945238108 /nfs/dbraw/zinc/23/81/08/945238108.db2.gz NPATUOUYPVFZGT-UHFFFAOYSA-N -1 3 353.342 0.943 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)NOCc1ccccc1 ZINC000738136845 945238111 /nfs/dbraw/zinc/23/81/11/945238111.db2.gz NPATUOUYPVFZGT-UHFFFAOYSA-N -1 3 353.342 0.943 20 50 FCGDHM CC(=NNC(=O)C=C1CC(=O)NC(=O)N1)c1ccc(-c2nnn[n-]2)cc1 ZINC000819772993 945286568 /nfs/dbraw/zinc/28/65/68/945286568.db2.gz NXTDMPKJFHHMTR-UHFFFAOYSA-N -1 3 354.330 0.151 20 50 FCGDHM CC(=NNC(=O)C=C1CC(=O)NC(=O)N1)c1ccc(-c2nn[n-]n2)cc1 ZINC000819772993 945286577 /nfs/dbraw/zinc/28/65/77/945286577.db2.gz NXTDMPKJFHHMTR-UHFFFAOYSA-N -1 3 354.330 0.151 20 50 FCGDHM CC(=O)C(C)(C)CCC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000819782273 945289704 /nfs/dbraw/zinc/28/97/04/945289704.db2.gz KDUBOODRCCLNRS-UHFFFAOYSA-N -1 3 374.401 0.788 20 50 FCGDHM CC(C)(C)CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819906762 945311885 /nfs/dbraw/zinc/31/18/85/945311885.db2.gz JYHKBCZFYYGMNO-UHFFFAOYSA-N -1 3 360.374 0.607 20 50 FCGDHM CC(C)(C)CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819906762 945311894 /nfs/dbraw/zinc/31/18/94/945311894.db2.gz JYHKBCZFYYGMNO-UHFFFAOYSA-N -1 3 360.374 0.607 20 50 FCGDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)[C@H](C)C(=O)NNC(=O)CC ZINC000735418118 944647084 /nfs/dbraw/zinc/64/70/84/944647084.db2.gz BBSOEODRNAURJF-GFCCVEGCSA-N -1 3 357.418 0.801 20 50 FCGDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)[C@H](C)C(=O)NNC(=O)CC ZINC000735418118 944647091 /nfs/dbraw/zinc/64/70/91/944647091.db2.gz BBSOEODRNAURJF-GFCCVEGCSA-N -1 3 357.418 0.801 20 50 FCGDHM CC(C)(C)CC(=O)NNC(=O)NCCNc1ccc(-c2nnn[n-]2)cn1 ZINC000735593917 944678381 /nfs/dbraw/zinc/67/83/81/944678381.db2.gz NZZHDPXRCPTFID-UHFFFAOYSA-N -1 3 361.410 0.440 20 50 FCGDHM CC(C)(C)CC(=O)NNC(=O)NCCNc1ccc(-c2nn[n-]n2)cn1 ZINC000735593917 944678385 /nfs/dbraw/zinc/67/83/85/944678385.db2.gz NZZHDPXRCPTFID-UHFFFAOYSA-N -1 3 361.410 0.440 20 50 FCGDHM CC(C)(C)C[C@@H](O)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735604687 944681917 /nfs/dbraw/zinc/68/19/17/944681917.db2.gz XGHQENPTKCMQOG-GFCCVEGCSA-N -1 3 361.406 0.608 20 50 FCGDHM CC(C)(C)C[C@@H](O)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735604687 944681919 /nfs/dbraw/zinc/68/19/19/944681919.db2.gz XGHQENPTKCMQOG-GFCCVEGCSA-N -1 3 361.406 0.608 20 50 FCGDHM CC(C)[C@H](C)CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735703587 944691279 /nfs/dbraw/zinc/69/12/79/944691279.db2.gz VBSVVGBHSVEOJN-LLVKDONJSA-N -1 3 361.406 0.868 20 50 FCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NN=c1nc[nH]c2[nH]cnc21 ZINC000736171106 944753893 /nfs/dbraw/zinc/75/38/93/944753893.db2.gz ZNTHCAFEURBQNS-QMMMGPOBSA-N -1 3 366.345 0.444 20 50 FCGDHM C[C@H](Oc1cccnc1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736187487 944758207 /nfs/dbraw/zinc/75/82/07/944758207.db2.gz BEICAWPDUWAUEQ-JTQLQIEISA-N -1 3 353.342 0.490 20 50 FCGDHM C[C@H](Oc1cccnc1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736187487 944758211 /nfs/dbraw/zinc/75/82/11/944758211.db2.gz BEICAWPDUWAUEQ-JTQLQIEISA-N -1 3 353.342 0.490 20 50 FCGDHM CCC(CC)NC(=O)C(=O)NNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736344555 944804731 /nfs/dbraw/zinc/80/47/31/944804731.db2.gz APQDSJXNUDVIEC-KTKRTIGZSA-N -1 3 371.401 0.332 20 50 FCGDHM CCC(CC)NC(=O)C(=O)NNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736344555 944804742 /nfs/dbraw/zinc/80/47/42/944804742.db2.gz APQDSJXNUDVIEC-KTKRTIGZSA-N -1 3 371.401 0.332 20 50 FCGDHM CC[C@H]1CN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC000736412579 944815107 /nfs/dbraw/zinc/81/51/07/944815107.db2.gz VZIKMHDELKQPHM-GWCFXTLKSA-N -1 3 359.390 0.720 20 50 FCGDHM CC[C@H]1CN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H](C)O1 ZINC000736412579 944815109 /nfs/dbraw/zinc/81/51/09/944815109.db2.gz VZIKMHDELKQPHM-GWCFXTLKSA-N -1 3 359.390 0.720 20 50 FCGDHM CCCCNC(=O)NNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736460663 944826939 /nfs/dbraw/zinc/82/69/39/944826939.db2.gz JQTAWRCTWZOEGO-AWEZNQCLSA-N -1 3 372.433 0.966 20 50 FCGDHM CCOC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736587008 944849127 /nfs/dbraw/zinc/84/91/27/944849127.db2.gz SKDMSSJIFVVHCE-HAAVITCDSA-N -1 3 358.358 0.915 20 50 FCGDHM CCOC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736587008 944849134 /nfs/dbraw/zinc/84/91/34/944849134.db2.gz SKDMSSJIFVVHCE-HAAVITCDSA-N -1 3 358.358 0.915 20 50 FCGDHM CCc1noc(CCCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000736713120 944876013 /nfs/dbraw/zinc/87/60/13/944876013.db2.gz NMVZCKHCOIPQCI-UHFFFAOYSA-N -1 3 370.373 0.596 20 50 FCGDHM CCc1noc(CCCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000736713120 944876019 /nfs/dbraw/zinc/87/60/19/944876019.db2.gz NMVZCKHCOIPQCI-UHFFFAOYSA-N -1 3 370.373 0.596 20 50 FCGDHM CN(C)CC(=O)NNC(=O)c1ccccc1-c1ccccc1-c1nnn[n-]1 ZINC000736765168 944885364 /nfs/dbraw/zinc/88/53/64/944885364.db2.gz VDNJUVKZRFJCCY-UHFFFAOYSA-N -1 3 365.397 0.856 20 50 FCGDHM CN(C)CC(=O)NNC(=O)c1ccccc1-c1ccccc1-c1nn[n-]n1 ZINC000736765168 944885374 /nfs/dbraw/zinc/88/53/74/944885374.db2.gz VDNJUVKZRFJCCY-UHFFFAOYSA-N -1 3 365.397 0.856 20 50 FCGDHM CN(C)c1nccc(=NNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)[nH]1 ZINC000736777719 944887679 /nfs/dbraw/zinc/88/76/79/944887679.db2.gz BJEODVUTYDZUBI-UHFFFAOYSA-N -1 3 353.390 0.799 20 50 FCGDHM CN(CC(=O)NC(C)(C)C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736783399 944891113 /nfs/dbraw/zinc/89/11/13/944891113.db2.gz QZYHCHMPQGRBLN-UHFFFAOYSA-N -1 3 374.405 0.068 20 50 FCGDHM CN(CC(=O)NC(C)(C)C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736783399 944891117 /nfs/dbraw/zinc/89/11/17/944891117.db2.gz QZYHCHMPQGRBLN-UHFFFAOYSA-N -1 3 374.405 0.068 20 50 FCGDHM CN(Cc1cccnc1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736827682 944895481 /nfs/dbraw/zinc/89/54/81/944895481.db2.gz AFIXXFFYIUNVPP-UHFFFAOYSA-N -1 3 352.358 0.748 20 50 FCGDHM CN(Cc1cccnc1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736827682 944895486 /nfs/dbraw/zinc/89/54/86/944895486.db2.gz AFIXXFFYIUNVPP-UHFFFAOYSA-N -1 3 352.358 0.748 20 50 FCGDHM CNc1snc(C)c1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736887340 944905720 /nfs/dbraw/zinc/90/57/20/944905720.db2.gz DSCYNGDQUVIYAN-UHFFFAOYSA-N -1 3 358.387 0.748 20 50 FCGDHM COC(=O)[C@H](C)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736891794 944905851 /nfs/dbraw/zinc/90/58/51/944905851.db2.gz LSHHVDUFJKQURJ-UKWOQQOSSA-N -1 3 357.374 0.346 20 50 FCGDHM COC(=O)[C@H](C)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736891794 944905854 /nfs/dbraw/zinc/90/58/54/944905854.db2.gz LSHHVDUFJKQURJ-UKWOQQOSSA-N -1 3 357.374 0.346 20 50 FCGDHM COC[C@H]1CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000736970612 944921478 /nfs/dbraw/zinc/92/14/78/944921478.db2.gz DCUUTXSUDNVHQC-VWBIBIBXSA-N -1 3 355.402 0.916 20 50 FCGDHM COC[C@H]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736970612 944921482 /nfs/dbraw/zinc/92/14/82/944921482.db2.gz DCUUTXSUDNVHQC-VWBIBIBXSA-N -1 3 355.402 0.916 20 50 FCGDHM COCC[C@@H](C)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736978480 944923925 /nfs/dbraw/zinc/92/39/25/944923925.db2.gz KXHAFFYBQFADRQ-SNVBAGLBSA-N -1 3 363.378 0.001 20 50 FCGDHM COC[C@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CCO1 ZINC000736976183 944924824 /nfs/dbraw/zinc/92/48/24/944924824.db2.gz JNPUSCNQBGDFOK-CNTYAEFGSA-N -1 3 371.401 0.294 20 50 FCGDHM COC[C@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CCO1 ZINC000736976183 944924832 /nfs/dbraw/zinc/92/48/32/944924832.db2.gz JNPUSCNQBGDFOK-CNTYAEFGSA-N -1 3 371.401 0.294 20 50 FCGDHM COCCN(CC(F)F)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736994670 944929083 /nfs/dbraw/zinc/92/90/83/944929083.db2.gz KMKACLAOTOXBMQ-UHFFFAOYSA-N -1 3 369.332 0.435 20 50 FCGDHM COCCN(CC(F)F)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736994670 944929093 /nfs/dbraw/zinc/92/90/93/944929093.db2.gz KMKACLAOTOXBMQ-UHFFFAOYSA-N -1 3 369.332 0.435 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC(=O)OCC2CC2)cc(-c2nnn[n-]2)n1C ZINC000737213040 944998163 /nfs/dbraw/zinc/99/81/63/944998163.db2.gz PPTZWFQYMBEIML-WLRTZDKTSA-N -1 3 369.385 0.490 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC(=O)OCC2CC2)cc(-c2nn[n-]n2)n1C ZINC000737213040 944998169 /nfs/dbraw/zinc/99/81/69/944998169.db2.gz PPTZWFQYMBEIML-WLRTZDKTSA-N -1 3 369.385 0.490 20 50 FCGDHM Cc1ccc(NNC([O-])=NNC(=O)c2cccc(-c3nn[n-]n3)c2)[nH+]c1 ZINC000737360835 945047215 /nfs/dbraw/zinc/04/72/15/945047215.db2.gz COLSWZDQJVQPRL-UHFFFAOYSA-N -1 3 353.346 0.541 20 50 FCGDHM Cc1ccccc1C(=O)NN[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737415155 945063060 /nfs/dbraw/zinc/06/30/60/945063060.db2.gz KQAHDFLOXIQGMW-AWEZNQCLSA-N -1 3 351.370 0.636 20 50 FCGDHM Cc1ccccc1C(=O)NN[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737415155 945063070 /nfs/dbraw/zinc/06/30/70/945063070.db2.gz KQAHDFLOXIQGMW-AWEZNQCLSA-N -1 3 351.370 0.636 20 50 FCGDHM C[C@H](CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000820227083 945390115 /nfs/dbraw/zinc/39/01/15/945390115.db2.gz XUQAKMOIFPHPQE-SNVBAGLBSA-N -1 3 372.385 0.607 20 50 FCGDHM C[C@H](CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000820227083 945390122 /nfs/dbraw/zinc/39/01/22/945390122.db2.gz XUQAKMOIFPHPQE-SNVBAGLBSA-N -1 3 372.385 0.607 20 50 FCGDHM C[C@@H]1CC(=NNC(=O)COc2ccccc2-c2nnn[n-]2)CN1C1CC1 ZINC000820641518 945504853 /nfs/dbraw/zinc/50/48/53/945504853.db2.gz CWUKNCBIYWUCPA-LLVKDONJSA-N -1 3 355.402 0.974 20 50 FCGDHM C[C@@H]1CC(=NNC(=O)COc2ccccc2-c2nn[n-]n2)CN1C1CC1 ZINC000820641518 945504861 /nfs/dbraw/zinc/50/48/61/945504861.db2.gz CWUKNCBIYWUCPA-LLVKDONJSA-N -1 3 355.402 0.974 20 50 FCGDHM C[C@H]1CC(=NNC(=O)COc2ccccc2-c2nnn[n-]2)CN1C1CC1 ZINC000820641520 945505741 /nfs/dbraw/zinc/50/57/41/945505741.db2.gz CWUKNCBIYWUCPA-NSHDSACASA-N -1 3 355.402 0.974 20 50 FCGDHM C[C@H]1CC(=NNC(=O)COc2ccccc2-c2nn[n-]n2)CN1C1CC1 ZINC000820641520 945505746 /nfs/dbraw/zinc/50/57/46/945505746.db2.gz CWUKNCBIYWUCPA-NSHDSACASA-N -1 3 355.402 0.974 20 50 FCGDHM C[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCS1 ZINC000820752853 945550542 /nfs/dbraw/zinc/55/05/42/945550542.db2.gz STQUCMGUMOUTNQ-JTQLQIEISA-N -1 3 361.431 0.065 20 50 FCGDHM C[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCS1 ZINC000820752853 945550551 /nfs/dbraw/zinc/55/05/51/945550551.db2.gz STQUCMGUMOUTNQ-JTQLQIEISA-N -1 3 361.431 0.065 20 50 FCGDHM CCC/C=C\C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821040370 945620817 /nfs/dbraw/zinc/62/08/17/945620817.db2.gz KXNVKBICBMKQFL-PLNGDYQASA-N -1 3 358.358 0.527 20 50 FCGDHM CCC/C=C\C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821040370 945620820 /nfs/dbraw/zinc/62/08/20/945620820.db2.gz KXNVKBICBMKQFL-PLNGDYQASA-N -1 3 358.358 0.527 20 50 FCGDHM CCN1CCO[C@H](C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)C1 ZINC000821277424 945665121 /nfs/dbraw/zinc/66/51/21/945665121.db2.gz SMFIGRWJPDBJSI-VIFPVBQESA-N -1 3 350.383 0.142 20 50 FCGDHM CCc1ccccc1OCC(=O)NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821496980 945709576 /nfs/dbraw/zinc/70/95/76/945709576.db2.gz NENGQQDEAVYURX-UHFFFAOYSA-N -1 3 355.358 0.597 20 50 FCGDHM CCc1ccccc1OCC(=O)NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821496980 945709583 /nfs/dbraw/zinc/70/95/83/945709583.db2.gz NENGQQDEAVYURX-UHFFFAOYSA-N -1 3 355.358 0.597 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C[C@H]1CCCCO1 ZINC000821593827 945733190 /nfs/dbraw/zinc/73/31/90/945733190.db2.gz LVPZSBGFFTXJQN-CQSZACIVSA-N -1 3 373.417 0.129 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C[C@H]1CCCCO1 ZINC000821593827 945733196 /nfs/dbraw/zinc/73/31/96/945733196.db2.gz LVPZSBGFFTXJQN-CQSZACIVSA-N -1 3 373.417 0.129 20 50 FCGDHM CN1C[C@@H](C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1=O ZINC000821620842 945750525 /nfs/dbraw/zinc/75/05/25/945750525.db2.gz XSLPEUDPWKMRQH-ZETCQYMHSA-N -1 3 369.307 0.807 20 50 FCGDHM CN1C[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1=O ZINC000821620842 945750529 /nfs/dbraw/zinc/75/05/29/945750529.db2.gz XSLPEUDPWKMRQH-ZETCQYMHSA-N -1 3 369.307 0.807 20 50 FCGDHM COC(=O)[C@@H](NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccnc1 ZINC000821644622 945770801 /nfs/dbraw/zinc/77/08/01/945770801.db2.gz DXEADZKTNKIXLE-ZDUSSCGKSA-N -1 3 353.342 0.410 20 50 FCGDHM COC(=O)[C@@H](NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccnc1 ZINC000821644622 945770814 /nfs/dbraw/zinc/77/08/14/945770814.db2.gz DXEADZKTNKIXLE-ZDUSSCGKSA-N -1 3 353.342 0.410 20 50 FCGDHM COC(=O)c1ccc(C=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)[nH]1 ZINC000821669080 945789415 /nfs/dbraw/zinc/78/94/15/945789415.db2.gz XDAKMBWAIJDVJE-UHFFFAOYSA-N -1 3 369.341 0.511 20 50 FCGDHM COC(C)(C)CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000821673529 945793640 /nfs/dbraw/zinc/79/36/40/945793640.db2.gz DVVZEBRRZWKEBL-UHFFFAOYSA-N -1 3 363.378 0.001 20 50 FCGDHM COC(C)(C)CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000821673529 945793646 /nfs/dbraw/zinc/79/36/46/945793646.db2.gz DVVZEBRRZWKEBL-UHFFFAOYSA-N -1 3 363.378 0.001 20 50 FCGDHM CO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1(C)C ZINC000821677977 945796209 /nfs/dbraw/zinc/79/62/09/945796209.db2.gz HUJNQBGRZIJRQB-NEPJUHHUSA-N -1 3 359.390 0.624 20 50 FCGDHM CO[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC000821677977 945796214 /nfs/dbraw/zinc/79/62/14/945796214.db2.gz HUJNQBGRZIJRQB-NEPJUHHUSA-N -1 3 359.390 0.624 20 50 FCGDHM COCCC1(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821685735 945811376 /nfs/dbraw/zinc/81/13/76/945811376.db2.gz OCAWUYRYGKGMDA-UHFFFAOYSA-N -1 3 360.374 0.210 20 50 FCGDHM COCCO[C@H](C)C(=O)NNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821691899 945822278 /nfs/dbraw/zinc/82/22/78/945822278.db2.gz JGZOFOQXRZEJFM-SECBINFHSA-N -1 3 365.419 0.236 20 50 FCGDHM COCCO[C@H](C)C(=O)NNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000821691899 945822293 /nfs/dbraw/zinc/82/22/93/945822293.db2.gz JGZOFOQXRZEJFM-SECBINFHSA-N -1 3 365.419 0.236 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)C(C)(C)C)cc(-c2nnn[n-]2)n1C ZINC000822027383 945931958 /nfs/dbraw/zinc/93/19/58/945931958.db2.gz GUQKDKDAUISVBG-TZWLIRKLSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)C(C)(C)C)cc(-c2nn[n-]n2)n1C ZINC000822027383 945931963 /nfs/dbraw/zinc/93/19/63/945931963.db2.gz GUQKDKDAUISVBG-TZWLIRKLSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(C)(O)CC2)cc(-c2nnn[n-]2)n1C ZINC000822029384 945955368 /nfs/dbraw/zinc/95/53/68/945955368.db2.gz XRCFCCOVFYDGDI-MDWZMJQESA-N -1 3 355.402 0.794 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(C)(O)CC2)cc(-c2nn[n-]n2)n1C ZINC000822029384 945955382 /nfs/dbraw/zinc/95/53/82/945955382.db2.gz XRCFCCOVFYDGDI-MDWZMJQESA-N -1 3 355.402 0.794 20 50 FCGDHM O=C(CCc1ccccc1O)NNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000822983643 946245417 /nfs/dbraw/zinc/24/54/17/946245417.db2.gz ROPLSGQNGWPQDE-UHFFFAOYSA-N -1 3 366.381 0.895 20 50 FCGDHM O=C(CCc1ccccc1O)NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822983643 946245424 /nfs/dbraw/zinc/24/54/24/946245424.db2.gz ROPLSGQNGWPQDE-UHFFFAOYSA-N -1 3 366.381 0.895 20 50 FCGDHM O=C(COC(=O)[C@H]1CC=CCC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018095 946271258 /nfs/dbraw/zinc/27/12/58/946271258.db2.gz HKJPYJVMNLJWFK-ZDUSSCGKSA-N -1 3 370.369 0.527 20 50 FCGDHM O=C(COC(=O)[C@H]1CC=CCC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018095 946271271 /nfs/dbraw/zinc/27/12/71/946271271.db2.gz HKJPYJVMNLJWFK-ZDUSSCGKSA-N -1 3 370.369 0.527 20 50 FCGDHM O=C(/C=C\C1CC1)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823017992 946271907 /nfs/dbraw/zinc/27/19/07/946271907.db2.gz GEDWLJMCJGQAHO-BAQGIRSFSA-N -1 3 356.342 0.137 20 50 FCGDHM O=C(/C=C\C1CC1)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823017992 946271915 /nfs/dbraw/zinc/27/19/15/946271915.db2.gz GEDWLJMCJGQAHO-BAQGIRSFSA-N -1 3 356.342 0.137 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCCC(F)(F)F ZINC000823037519 946289344 /nfs/dbraw/zinc/28/93/44/946289344.db2.gz YSHVEDDQBUJBHW-UHFFFAOYSA-N -1 3 373.295 0.528 20 50 FCGDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NNC(=O)Cc1ccncc1 ZINC000823043741 946291466 /nfs/dbraw/zinc/29/14/66/946291466.db2.gz HXGBGHVYZNXENL-UHFFFAOYSA-N -1 3 353.342 0.031 20 50 FCGDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NNC(=O)Cc1ccncc1 ZINC000823043741 946291472 /nfs/dbraw/zinc/29/14/72/946291472.db2.gz HXGBGHVYZNXENL-UHFFFAOYSA-N -1 3 353.342 0.031 20 50 FCGDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NNC(=O)[C@H]1Cc2ccccc2O1 ZINC000823103960 946313797 /nfs/dbraw/zinc/31/37/97/946313797.db2.gz OYBBLKQFLIHEBH-OAHLLOKOSA-N -1 3 364.365 0.560 20 50 FCGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNC(=O)[C@H]1Cc2ccccc2O1 ZINC000823103960 946313809 /nfs/dbraw/zinc/31/38/09/946313809.db2.gz OYBBLKQFLIHEBH-OAHLLOKOSA-N -1 3 364.365 0.560 20 50 FCGDHM O=C(NN=C1CCCc2cc(-c3nnn[n-]3)ccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000823269690 946366461 /nfs/dbraw/zinc/36/64/61/946366461.db2.gz MIGGTRNTVPUVFQ-GFCCVEGCSA-N -1 3 374.426 0.458 20 50 FCGDHM O=C(NN=C1CCCc2cc(-c3nn[n-]n3)ccc21)[C@@H]1CCS(=O)(=O)C1 ZINC000823269690 946366475 /nfs/dbraw/zinc/36/64/75/946366475.db2.gz MIGGTRNTVPUVFQ-GFCCVEGCSA-N -1 3 374.426 0.458 20 50 FCGDHM C[C@@H](NCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC000824562653 946800844 /nfs/dbraw/zinc/80/08/44/946800844.db2.gz ICJIOSJKGOUUPX-LLVKDONJSA-N -1 3 366.385 0.374 20 50 FCGDHM COc1ccc(C(=O)NNC(=O)CNC2(CC(=O)[O-])CC2)cc1OC ZINC001599484117 996816808 /nfs/dbraw/zinc/81/68/08/996816808.db2.gz QVNFGFPLZLPMDB-UHFFFAOYSA-N -1 3 351.359 0.062 20 50 FCGDHM NC(=O)COc1ccccc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826391327 607347051 /nfs/dbraw/zinc/34/70/51/607347051.db2.gz GKCRRKYFSJJAJI-UHFFFAOYSA-N -1 3 353.342 0.488 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000826446192 607353177 /nfs/dbraw/zinc/35/31/77/607353177.db2.gz CQVVOWLRPNFXDA-JTQLQIEISA-N -1 3 353.346 0.086 20 50 FCGDHM CNC(=O)c1cncc(C=CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826073113 607353938 /nfs/dbraw/zinc/35/39/38/607353938.db2.gz FNCMXWHKIHPNOL-UQCOIBPSSA-N -1 3 364.369 0.778 20 50 FCGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1CCNC(=O)C1 ZINC000826479132 607395238 /nfs/dbraw/zinc/39/52/38/607395238.db2.gz RBUNICJWDFKZPN-ZETCQYMHSA-N -1 3 369.307 0.855 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1CCNC(=O)C1 ZINC000826479132 607395239 /nfs/dbraw/zinc/39/52/39/607395239.db2.gz RBUNICJWDFKZPN-ZETCQYMHSA-N -1 3 369.307 0.855 20 50 FCGDHM COC[C@](C)(CC(=O)[O-])NCC(=O)NNC(=O)c1ccccc1Cl ZINC000831573743 601491457 /nfs/dbraw/zinc/49/14/57/601491457.db2.gz VECOJJZMCRCHSR-HNNXBMFYSA-N -1 3 357.794 0.570 20 50 FCGDHM CC1=C(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000824852038 607614347 /nfs/dbraw/zinc/61/43/47/607614347.db2.gz HQPKHEFDZNQCGM-UHFFFAOYSA-N -1 3 370.369 0.671 20 50 FCGDHM CC1=C(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000824852038 607614348 /nfs/dbraw/zinc/61/43/48/607614348.db2.gz HQPKHEFDZNQCGM-UHFFFAOYSA-N -1 3 370.369 0.671 20 50 FCGDHM Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000826264617 607682826 /nfs/dbraw/zinc/68/28/26/607682826.db2.gz UHWGOXPFPCZWMS-UHFFFAOYSA-N -1 3 355.358 0.652 20 50 FCGDHM Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000826264617 607682827 /nfs/dbraw/zinc/68/28/27/607682827.db2.gz UHWGOXPFPCZWMS-UHFFFAOYSA-N -1 3 355.358 0.652 20 50 FCGDHM CCOC(=O)C1(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000825493291 607713248 /nfs/dbraw/zinc/71/32/48/607713248.db2.gz KARZUPUOKDOXCW-UHFFFAOYSA-N -1 3 358.358 0.361 20 50 FCGDHM CCOC(=O)C1(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000825493291 607713250 /nfs/dbraw/zinc/71/32/50/607713250.db2.gz KARZUPUOKDOXCW-UHFFFAOYSA-N -1 3 358.358 0.361 20 50 FCGDHM CS(=O)(=O)Nc1cccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826224133 607715517 /nfs/dbraw/zinc/71/55/17/607715517.db2.gz PUPKGRXBDYKWIC-UHFFFAOYSA-N -1 3 373.398 0.995 20 50 FCGDHM CS(=O)(=O)Nc1cccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826224133 607715519 /nfs/dbraw/zinc/71/55/19/607715519.db2.gz PUPKGRXBDYKWIC-UHFFFAOYSA-N -1 3 373.398 0.995 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cn(Cc2ccccn2)nn1 ZINC000826449186 607716235 /nfs/dbraw/zinc/71/62/35/607716235.db2.gz FWDMRHDAIVOALO-UHFFFAOYSA-N -1 3 362.357 0.658 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cn(Cc2ccccn2)nn1 ZINC000826449186 607716238 /nfs/dbraw/zinc/71/62/38/607716238.db2.gz FWDMRHDAIVOALO-UHFFFAOYSA-N -1 3 362.357 0.658 20 50 FCGDHM NC(=O)c1ccc(OCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826393221 607723156 /nfs/dbraw/zinc/72/31/56/607723156.db2.gz ICCMLVIAPIGQCS-UHFFFAOYSA-N -1 3 353.342 0.488 20 50 FCGDHM NC(=O)c1ccc(OCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826393221 607723158 /nfs/dbraw/zinc/72/31/58/607723158.db2.gz ICCMLVIAPIGQCS-UHFFFAOYSA-N -1 3 353.342 0.488 20 50 FCGDHM COc1ccc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c(OC)c1 ZINC000826187615 607728179 /nfs/dbraw/zinc/72/81/79/607728179.db2.gz YSFCQAKNJADOJJ-UHFFFAOYSA-N -1 3 357.330 0.287 20 50 FCGDHM COc1ccc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c(OC)c1 ZINC000826187615 607728181 /nfs/dbraw/zinc/72/81/81/607728181.db2.gz YSFCQAKNJADOJJ-UHFFFAOYSA-N -1 3 357.330 0.287 20 50 FCGDHM CC(C)(C)NS(=O)(=O)CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824094402 607728595 /nfs/dbraw/zinc/72/85/95/607728595.db2.gz UIHLOEQQGHLBGA-UHFFFAOYSA-N -1 3 353.408 0.028 20 50 FCGDHM CC(C)(C)NS(=O)(=O)CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824094402 607728596 /nfs/dbraw/zinc/72/85/96/607728596.db2.gz UIHLOEQQGHLBGA-UHFFFAOYSA-N -1 3 353.408 0.028 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000823277841 606751538 /nfs/dbraw/zinc/75/15/38/606751538.db2.gz YFKSZDZRHVTJLV-MJBXVCDLSA-N -1 3 371.401 0.768 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000823277841 606751539 /nfs/dbraw/zinc/75/15/39/606751539.db2.gz YFKSZDZRHVTJLV-MJBXVCDLSA-N -1 3 371.401 0.768 20 50 FCGDHM CSCCNC(=S)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826228794 607783245 /nfs/dbraw/zinc/78/32/45/607783245.db2.gz AKNHOZUINHZTMB-UHFFFAOYSA-N -1 3 367.460 0.104 20 50 FCGDHM COC(=O)[C@H](NNC(=O)c1ncccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826111495 607784803 /nfs/dbraw/zinc/78/48/03/607784803.db2.gz GFBFFBOSZCXPEP-CQSZACIVSA-N -1 3 367.369 0.719 20 50 FCGDHM COC(=O)[C@H](NNC(=O)c1ncccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826111495 607784804 /nfs/dbraw/zinc/78/48/04/607784804.db2.gz GFBFFBOSZCXPEP-CQSZACIVSA-N -1 3 367.369 0.719 20 50 FCGDHM C=C(C)[C@H](CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)OCC ZINC000823873145 607879393 /nfs/dbraw/zinc/87/93/93/607879393.db2.gz JMIZFGOVAVNWQE-AWEZNQCLSA-N -1 3 374.401 0.764 20 50 FCGDHM CN(C)c1ncc(C=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825884177 607881882 /nfs/dbraw/zinc/88/18/82/607881882.db2.gz UOJXQQIQXZHJBY-UHFFFAOYSA-N -1 3 372.414 0.918 20 50 FCGDHM C#CCN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000823844676 607923851 /nfs/dbraw/zinc/92/38/51/607923851.db2.gz GFYCNVMKQZCEAY-UHFFFAOYSA-N -1 3 367.413 0.506 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)C1CCC1 ZINC000824498885 607927942 /nfs/dbraw/zinc/92/79/42/607927942.db2.gz LQQPHCIVQQFJTO-SNVBAGLBSA-N -1 3 359.390 0.765 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)C1CCC1 ZINC000824498885 607927943 /nfs/dbraw/zinc/92/79/43/607927943.db2.gz LQQPHCIVQQFJTO-SNVBAGLBSA-N -1 3 359.390 0.765 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC000824498343 607927960 /nfs/dbraw/zinc/92/79/60/607927960.db2.gz FJCFVMBZXWHIRC-SNVBAGLBSA-N -1 3 359.390 0.765 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CCO)C2CC2)cc(-c2nnn[n-]2)n1C ZINC000826235777 607940953 /nfs/dbraw/zinc/94/09/53/607940953.db2.gz QUCSIWXXSNGOKQ-LVOZBFFPSA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CCO)C2CC2)cc(-c2nn[n-]n2)n1C ZINC000826235777 607940954 /nfs/dbraw/zinc/94/09/54/607940954.db2.gz QUCSIWXXSNGOKQ-LVOZBFFPSA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1c(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cnn1C ZINC000826236678 607979980 /nfs/dbraw/zinc/97/99/80/607979980.db2.gz XMFWCSJWVGTDQM-UHFFFAOYSA-N -1 3 355.362 0.053 20 50 FCGDHM Cc1c(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cnn1C ZINC000826236678 607979981 /nfs/dbraw/zinc/97/99/81/607979981.db2.gz XMFWCSJWVGTDQM-UHFFFAOYSA-N -1 3 355.362 0.053 20 50 FCGDHM CC[C@]1(C)COCCN1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825165036 608043578 /nfs/dbraw/zinc/04/35/78/608043578.db2.gz QFHUIHJYLVLMTE-QGZVFWFLSA-N -1 3 373.417 0.129 20 50 FCGDHM CC[C@]1(C)COCCN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825165036 608043579 /nfs/dbraw/zinc/04/35/79/608043579.db2.gz QFHUIHJYLVLMTE-QGZVFWFLSA-N -1 3 373.417 0.129 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC(C)(C)OC2=O)cc(-c2nnn[n-]2)n1C ZINC000826235523 608075759 /nfs/dbraw/zinc/07/57/59/608075759.db2.gz LKXDGSIMUJKATA-QJGQKNTRSA-N -1 3 369.385 0.631 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC(C)(C)OC2=O)cc(-c2nn[n-]n2)n1C ZINC000826235523 608075760 /nfs/dbraw/zinc/07/57/60/608075760.db2.gz LKXDGSIMUJKATA-QJGQKNTRSA-N -1 3 369.385 0.631 20 50 FCGDHM O=C(NCc1noc(C2CC2)n1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444018 608112567 /nfs/dbraw/zinc/11/25/67/608112567.db2.gz NHONVFGEZAWHDB-UHFFFAOYSA-N -1 3 369.345 0.271 20 50 FCGDHM O=C(NCc1noc(C2CC2)n1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444018 608112568 /nfs/dbraw/zinc/11/25/68/608112568.db2.gz NHONVFGEZAWHDB-UHFFFAOYSA-N -1 3 369.345 0.271 20 50 FCGDHM COc1cccc(NNC(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000826217089 608142030 /nfs/dbraw/zinc/14/20/30/608142030.db2.gz YNOKQZAJSLQCGE-UHFFFAOYSA-N -1 3 372.320 0.491 20 50 FCGDHM COc1cccc(NNC(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000826217089 608142031 /nfs/dbraw/zinc/14/20/31/608142031.db2.gz YNOKQZAJSLQCGE-UHFFFAOYSA-N -1 3 372.320 0.491 20 50 FCGDHM CCN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C[C@@H]1CCCO1 ZINC000825395689 608154677 /nfs/dbraw/zinc/15/46/77/608154677.db2.gz UPWNJVZKTSYGEH-AWEZNQCLSA-N -1 3 373.417 0.129 20 50 FCGDHM C[C@@H]1C[C@@H](CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824885040 608162953 /nfs/dbraw/zinc/16/29/53/608162953.db2.gz QWSHCTATUBTWDB-MNOVXSKESA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@@H]1C[C@@H](CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824885040 608162955 /nfs/dbraw/zinc/16/29/55/608162955.db2.gz QWSHCTATUBTWDB-MNOVXSKESA-N -1 3 359.390 0.626 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CO)CC2CC2)cc(-c2nnn[n-]2)n1C ZINC000826235185 608172008 /nfs/dbraw/zinc/17/20/08/608172008.db2.gz DUBUATXEAUGLPW-XMRSSTEGSA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CO)CC2CC2)cc(-c2nn[n-]n2)n1C ZINC000826235185 608172009 /nfs/dbraw/zinc/17/20/09/608172009.db2.gz DUBUATXEAUGLPW-XMRSSTEGSA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CO)CC2CC2)cc(-c2nnn[n-]2)n1C ZINC000826235184 608172081 /nfs/dbraw/zinc/17/20/81/608172081.db2.gz DUBUATXEAUGLPW-CNTYAEFGSA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CO)CC2CC2)cc(-c2nn[n-]n2)n1C ZINC000826235184 608172082 /nfs/dbraw/zinc/17/20/82/608172082.db2.gz DUBUATXEAUGLPW-CNTYAEFGSA-N -1 3 355.402 0.698 20 50 FCGDHM CO[C@H]1CCC[C@H]1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826145648 608413752 /nfs/dbraw/zinc/41/37/52/608413752.db2.gz KIFQJSMMVGMLLM-STQMWFEESA-N -1 3 359.390 0.626 20 50 FCGDHM CO[C@H]1CCC[C@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826145648 608413753 /nfs/dbraw/zinc/41/37/53/608413753.db2.gz KIFQJSMMVGMLLM-STQMWFEESA-N -1 3 359.390 0.626 20 50 FCGDHM Cc1ocnc1CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826342599 608536897 /nfs/dbraw/zinc/53/68/97/608536897.db2.gz RXBZQJILSJRVPI-UHFFFAOYSA-N -1 3 372.345 0.073 20 50 FCGDHM CC(C)(C)OC(=O)NCC(=O)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000824108631 609307425 /nfs/dbraw/zinc/30/74/25/609307425.db2.gz HNAUOLJQIITLPA-UHFFFAOYSA-N -1 3 351.392 0.903 20 50 FCGDHM CC(C)(C)OC(=O)NCC(=O)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000824108631 609307426 /nfs/dbraw/zinc/30/74/26/609307426.db2.gz HNAUOLJQIITLPA-UHFFFAOYSA-N -1 3 351.392 0.903 20 50 FCGDHM C[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1F ZINC000824953930 609374127 /nfs/dbraw/zinc/37/41/27/609374127.db2.gz IASLGSLCDDPSSQ-ZWNOBZJWSA-N -1 3 361.381 0.308 20 50 FCGDHM C[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1F ZINC000824953930 609374130 /nfs/dbraw/zinc/37/41/30/609374130.db2.gz IASLGSLCDDPSSQ-ZWNOBZJWSA-N -1 3 361.381 0.308 20 50 FCGDHM CC[C@H]1C[C@@H](C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825183917 609534054 /nfs/dbraw/zinc/53/40/54/609534054.db2.gz PZFDXYFNKWRGDG-STQMWFEESA-N -1 3 374.401 0.598 20 50 FCGDHM Cc1ncccc1C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737503659 945084619 /nfs/dbraw/zinc/08/46/19/945084619.db2.gz WZYFTOZRAFKSEC-UHFFFAOYSA-N -1 3 353.342 0.410 20 50 FCGDHM Cc1nnc(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)n1C ZINC000737520459 945089244 /nfs/dbraw/zinc/08/92/44/945089244.db2.gz HUMFQVIZTIHPHJ-LFYBBSHMSA-N -1 3 366.389 0.174 20 50 FCGDHM Cc1nnc(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1C ZINC000737520459 945089254 /nfs/dbraw/zinc/08/92/54/945089254.db2.gz HUMFQVIZTIHPHJ-LFYBBSHMSA-N -1 3 366.389 0.174 20 50 FCGDHM Cc1nonc1CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000737548534 945093499 /nfs/dbraw/zinc/09/34/99/945093499.db2.gz SSLKCYOCORIAIG-WCIBSUBMSA-N -1 3 353.346 0.428 20 50 FCGDHM Cc1nonc1CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000737548534 945093515 /nfs/dbraw/zinc/09/35/15/945093515.db2.gz SSLKCYOCORIAIG-WCIBSUBMSA-N -1 3 353.346 0.428 20 50 FCGDHM Cn1nnc2cc(C(=O)NNC(=O)c3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000737626905 945105254 /nfs/dbraw/zinc/10/52/54/945105254.db2.gz FVBNNZFSQZUWTJ-UHFFFAOYSA-N -1 3 363.341 0.223 20 50 FCGDHM Cn1nnc2cc(C(=O)NNC(=O)c3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000737626905 945105262 /nfs/dbraw/zinc/10/52/62/945105262.db2.gz FVBNNZFSQZUWTJ-UHFFFAOYSA-N -1 3 363.341 0.223 20 50 FCGDHM N#Cc1cccc(C(=O)NN[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737723515 945118014 /nfs/dbraw/zinc/11/80/14/945118014.db2.gz UZNCYXPEGFZBFB-AWEZNQCLSA-N -1 3 362.353 0.199 20 50 FCGDHM N#Cc1cccc(C(=O)NN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737723515 945118020 /nfs/dbraw/zinc/11/80/20/945118020.db2.gz UZNCYXPEGFZBFB-AWEZNQCLSA-N -1 3 362.353 0.199 20 50 FCGDHM NC(=O)[C@@H](NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000737736871 945120676 /nfs/dbraw/zinc/12/06/76/945120676.db2.gz LYUBYJYALALZKQ-ZDUSSCGKSA-N -1 3 355.333 0.467 20 50 FCGDHM NC(=O)[C@@H](NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000737736871 945120681 /nfs/dbraw/zinc/12/06/81/945120681.db2.gz LYUBYJYALALZKQ-ZDUSSCGKSA-N -1 3 355.333 0.467 20 50 FCGDHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NNC(=O)C2CCC2)cc1 ZINC000737775625 945124691 /nfs/dbraw/zinc/12/46/91/945124691.db2.gz FFGAKSDNOPKNHU-UHFFFAOYSA-N -1 3 367.373 0.196 20 50 FCGDHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NNC(=O)C2CCC2)cc1 ZINC000737775625 945124695 /nfs/dbraw/zinc/12/46/95/945124695.db2.gz FFGAKSDNOPKNHU-UHFFFAOYSA-N -1 3 367.373 0.196 20 50 FCGDHM Nc1cc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc(Cl)n1 ZINC000737775092 945124733 /nfs/dbraw/zinc/12/47/33/945124733.db2.gz YRZVJVJSCKBQLG-UHFFFAOYSA-N -1 3 358.749 0.572 20 50 FCGDHM Nc1cc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc(Cl)n1 ZINC000737775092 945124749 /nfs/dbraw/zinc/12/47/49/945124749.db2.gz YRZVJVJSCKBQLG-UHFFFAOYSA-N -1 3 358.749 0.572 20 50 FCGDHM O=C(CCCCOc1cccc(-c2nnn[n-]2)c1)NNC(=O)NC1CC1 ZINC000737832803 945132616 /nfs/dbraw/zinc/13/26/16/945132616.db2.gz MDZMGNLWXGSQIA-UHFFFAOYSA-N -1 3 359.390 0.909 20 50 FCGDHM O=C(CCCCOc1cccc(-c2nn[n-]n2)c1)NNC(=O)NC1CC1 ZINC000737832803 945132621 /nfs/dbraw/zinc/13/26/21/945132621.db2.gz MDZMGNLWXGSQIA-UHFFFAOYSA-N -1 3 359.390 0.909 20 50 FCGDHM O=C(CCCn1ccccc1=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737835297 945135133 /nfs/dbraw/zinc/13/51/33/945135133.db2.gz GDRVIOXAEHQHBQ-UHFFFAOYSA-N -1 3 367.369 0.270 20 50 FCGDHM O=C(CCCn1ccccc1=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737835297 945135138 /nfs/dbraw/zinc/13/51/38/945135138.db2.gz GDRVIOXAEHQHBQ-UHFFFAOYSA-N -1 3 367.369 0.270 20 50 FCGDHM O=C(COCc1ccccc1)NNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737915528 945150084 /nfs/dbraw/zinc/15/00/84/945150084.db2.gz CXRUKWCCATWZNI-UHFFFAOYSA-N -1 3 366.381 0.773 20 50 FCGDHM O=C(COCc1ccccc1)NNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737915528 945150087 /nfs/dbraw/zinc/15/00/87/945150087.db2.gz CXRUKWCCATWZNI-UHFFFAOYSA-N -1 3 366.381 0.773 20 50 FCGDHM O=C(NCCc1cccc(O)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738089176 945185161 /nfs/dbraw/zinc/18/51/61/945185161.db2.gz VINJLALOWDUFBV-UHFFFAOYSA-N -1 3 367.369 0.759 20 50 FCGDHM O=C(NCCc1cccc(O)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738089176 945185166 /nfs/dbraw/zinc/18/51/66/945185166.db2.gz VINJLALOWDUFBV-UHFFFAOYSA-N -1 3 367.369 0.759 20 50 FCGDHM O=C(NNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC000738129691 945205586 /nfs/dbraw/zinc/20/55/86/945205586.db2.gz HKUDUZMNOZRXJK-AWEZNQCLSA-N -1 3 355.402 0.783 20 50 FCGDHM O=C(NNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccc[nH]1 ZINC000738130833 945212896 /nfs/dbraw/zinc/21/28/96/945212896.db2.gz XFETZDVWTUEJEB-AWEZNQCLSA-N -1 3 366.385 0.625 20 50 FCGDHM O=Cc1ccccc1OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738317440 945258695 /nfs/dbraw/zinc/25/86/95/945258695.db2.gz KUMQKCFZDZPMPD-UHFFFAOYSA-N -1 3 366.337 0.519 20 50 FCGDHM O=Cc1ccccc1OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738317440 945258705 /nfs/dbraw/zinc/25/87/05/945258705.db2.gz KUMQKCFZDZPMPD-UHFFFAOYSA-N -1 3 366.337 0.519 20 50 FCGDHM C#Cc1cccc(NC(=S)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000819709324 945272319 /nfs/dbraw/zinc/27/23/19/945272319.db2.gz CKRRWLGVULHBDV-UHFFFAOYSA-N -1 3 366.410 0.818 20 50 FCGDHM C#Cc1cccc(NC(=S)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000819709324 945272324 /nfs/dbraw/zinc/27/23/24/945272324.db2.gz CKRRWLGVULHBDV-UHFFFAOYSA-N -1 3 366.410 0.818 20 50 FCGDHM CC(C)[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820015742 945329273 /nfs/dbraw/zinc/32/92/73/945329273.db2.gz GHYXTDWATNPMPZ-SNVBAGLBSA-N -1 3 360.374 0.463 20 50 FCGDHM CC(C)[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820015742 945329284 /nfs/dbraw/zinc/32/92/84/945329284.db2.gz GHYXTDWATNPMPZ-SNVBAGLBSA-N -1 3 360.374 0.463 20 50 FCGDHM CC(=O)N[C@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000735474163 944664367 /nfs/dbraw/zinc/66/43/67/944664367.db2.gz IEOJOBODQHEQGC-AWEZNQCLSA-N -1 3 371.401 0.323 20 50 FCGDHM CC(=O)N[C@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000735474163 944664376 /nfs/dbraw/zinc/66/43/76/944664376.db2.gz IEOJOBODQHEQGC-AWEZNQCLSA-N -1 3 371.401 0.323 20 50 FCGDHM CC(C)(C)C(=O)NNC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000735589967 944676837 /nfs/dbraw/zinc/67/68/37/944676837.db2.gz RSZKXRWMBJVVNB-UHFFFAOYSA-N -1 3 372.433 0.776 20 50 FCGDHM CC(C)(C)C(=O)NNC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000735589967 944676842 /nfs/dbraw/zinc/67/68/42/944676842.db2.gz RSZKXRWMBJVVNB-UHFFFAOYSA-N -1 3 372.433 0.776 20 50 FCGDHM CC(C)CC(=O)NNC(=O)[C@H](C)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735759006 944699659 /nfs/dbraw/zinc/69/96/59/944699659.db2.gz ODGABTNEUWMUTO-LBPRGKRZSA-N -1 3 359.434 0.881 20 50 FCGDHM CC(C)CN1C[C@@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000735830075 944703554 /nfs/dbraw/zinc/70/35/54/944703554.db2.gz CGXKMRRVQVLFNT-ZDUSSCGKSA-N -1 3 371.401 0.132 20 50 FCGDHM CC(C)CN1C[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000735830075 944703564 /nfs/dbraw/zinc/70/35/64/944703564.db2.gz CGXKMRRVQVLFNT-ZDUSSCGKSA-N -1 3 371.401 0.132 20 50 FCGDHM C[C@H](NC(=O)c1ccoc1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736128392 944747636 /nfs/dbraw/zinc/74/76/36/944747636.db2.gz WSXRAYHTALXLHA-VIFPVBQESA-N -1 3 369.341 0.039 20 50 FCGDHM C[C@H](NC(=O)c1ccoc1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736128392 944747644 /nfs/dbraw/zinc/74/76/44/944747644.db2.gz WSXRAYHTALXLHA-VIFPVBQESA-N -1 3 369.341 0.039 20 50 FCGDHM C[C@@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736164142 944751821 /nfs/dbraw/zinc/75/18/21/944751821.db2.gz NCKQREANLPMTNB-BXUZGUMPSA-N -1 3 374.401 0.602 20 50 FCGDHM C[C@@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736164142 944751826 /nfs/dbraw/zinc/75/18/26/944751826.db2.gz NCKQREANLPMTNB-BXUZGUMPSA-N -1 3 374.401 0.602 20 50 FCGDHM CC[C@H]1CN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H](C)O1 ZINC000736412581 944815288 /nfs/dbraw/zinc/81/52/88/944815288.db2.gz VZIKMHDELKQPHM-MFKMUULPSA-N -1 3 359.390 0.720 20 50 FCGDHM CC[C@H]1CN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H](C)O1 ZINC000736412581 944815292 /nfs/dbraw/zinc/81/52/92/944815292.db2.gz VZIKMHDELKQPHM-MFKMUULPSA-N -1 3 359.390 0.720 20 50 FCGDHM CCCCOC(=O)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736461434 944828526 /nfs/dbraw/zinc/82/85/26/944828526.db2.gz PORIVDOPXCTHGD-NTUHNPAUSA-N -1 3 371.401 0.880 20 50 FCGDHM CCCCOC(=O)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736461434 944828530 /nfs/dbraw/zinc/82/85/30/944828530.db2.gz PORIVDOPXCTHGD-NTUHNPAUSA-N -1 3 371.401 0.880 20 50 FCGDHM CCOC(=O)[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736587799 944848933 /nfs/dbraw/zinc/84/89/33/944848933.db2.gz ZNBVNCJTZRNMAF-DKBJHAQFSA-N -1 3 357.374 0.488 20 50 FCGDHM CCOC(=O)[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736587799 944848943 /nfs/dbraw/zinc/84/89/43/944848943.db2.gz ZNBVNCJTZRNMAF-DKBJHAQFSA-N -1 3 357.374 0.488 20 50 FCGDHM CCc1cc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)on1 ZINC000736674748 944866224 /nfs/dbraw/zinc/86/62/24/944866224.db2.gz HOTKXOLMSSIEJE-UHFFFAOYSA-N -1 3 356.346 0.561 20 50 FCGDHM CCc1cc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)on1 ZINC000736674748 944866228 /nfs/dbraw/zinc/86/62/28/944866228.db2.gz HOTKXOLMSSIEJE-UHFFFAOYSA-N -1 3 356.346 0.561 20 50 FCGDHM CN(C)CC(=O)NNC(=O)CCCCOc1cccc(-c2nn[n-]n2)c1 ZINC000736762357 944886015 /nfs/dbraw/zinc/88/60/15/944886015.db2.gz HLFBXZPXVQOMLV-UHFFFAOYSA-N -1 3 361.406 0.125 20 50 FCGDHM CN(C[C@H]1CCCCO1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736794394 944890698 /nfs/dbraw/zinc/89/06/98/944890698.db2.gz SCCASHCUDBOJSC-CYBMUJFWSA-N -1 3 359.390 0.722 20 50 FCGDHM CN(C[C@H]1CCCCO1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736794394 944890705 /nfs/dbraw/zinc/89/07/05/944890705.db2.gz SCCASHCUDBOJSC-CYBMUJFWSA-N -1 3 359.390 0.722 20 50 FCGDHM CN(Cc1cscn1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736832069 944897683 /nfs/dbraw/zinc/89/76/83/944897683.db2.gz ZTFKYFKVYZNAPZ-UHFFFAOYSA-N -1 3 358.387 0.810 20 50 FCGDHM CN(Cc1cscn1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736832069 944897686 /nfs/dbraw/zinc/89/76/86/944897686.db2.gz ZTFKYFKVYZNAPZ-UHFFFAOYSA-N -1 3 358.387 0.810 20 50 FCGDHM COc1cccc(OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737140552 944967862 /nfs/dbraw/zinc/96/78/62/944967862.db2.gz FNMGMKORFYGYPK-UHFFFAOYSA-N -1 3 368.353 0.715 20 50 FCGDHM COc1cccc(OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737140552 944967865 /nfs/dbraw/zinc/96/78/65/944967865.db2.gz FNMGMKORFYGYPK-UHFFFAOYSA-N -1 3 368.353 0.715 20 50 FCGDHM CSC[C@@H](C)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737177452 944976358 /nfs/dbraw/zinc/97/63/58/944976358.db2.gz RSVPMFUFWLCVQN-SECBINFHSA-N -1 3 365.419 0.327 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCCn2cncn2)cc(-c2nn[n-]n2)n1C ZINC000737212617 944994926 /nfs/dbraw/zinc/99/49/26/944994926.db2.gz LGRGGJXYLJGHPV-XGICHPGQSA-N -1 3 353.346 0.256 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OC[C@H]2COCCO2)cc(-c2nnn[n-]2)n1C ZINC000737212640 944995169 /nfs/dbraw/zinc/99/51/69/944995169.db2.gz LQRSHEMLGOZEGM-YQJFHSMKSA-N -1 3 358.358 0.379 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OC[C@H]2COCCO2)cc(-c2nn[n-]n2)n1C ZINC000737212640 944995178 /nfs/dbraw/zinc/99/51/78/944995178.db2.gz LQRSHEMLGOZEGM-YQJFHSMKSA-N -1 3 358.358 0.379 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CC(n3cncn3)C2)cc(-c2nn[n-]n2)n1C ZINC000737213688 945006379 /nfs/dbraw/zinc/00/63/79/945006379.db2.gz VWGYSFJZDOJPMY-BASWHVEKSA-N -1 3 364.373 0.096 20 50 FCGDHM Cc1ccc(C(=O)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737309038 945035137 /nfs/dbraw/zinc/03/51/37/945035137.db2.gz QKWVQPDSDBKCRS-UHFFFAOYSA-N -1 3 350.338 0.819 20 50 FCGDHM Cc1ccc(C(=O)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737309038 945035149 /nfs/dbraw/zinc/03/51/49/945035149.db2.gz QKWVQPDSDBKCRS-UHFFFAOYSA-N -1 3 350.338 0.819 20 50 FCGDHM C[C@H](NC(=S)NNC(=O)COc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000820403073 945443419 /nfs/dbraw/zinc/44/34/19/945443419.db2.gz HFKKVSKSTNODJD-VIFPVBQESA-N -1 3 361.431 0.539 20 50 FCGDHM C[C@H](NC(=S)NNC(=O)COc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000820403073 945443424 /nfs/dbraw/zinc/44/34/24/945443424.db2.gz HFKKVSKSTNODJD-VIFPVBQESA-N -1 3 361.431 0.539 20 50 FCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@@]1(C)CCCO1 ZINC000820528246 945474933 /nfs/dbraw/zinc/47/49/33/945474933.db2.gz MYUKNZFEDOWHQN-MGPLVRAMSA-N -1 3 360.374 0.351 20 50 FCGDHM C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCS1 ZINC000820752281 945549383 /nfs/dbraw/zinc/54/93/83/945549383.db2.gz LMWHXERBEIZFSB-SNVBAGLBSA-N -1 3 361.431 0.065 20 50 FCGDHM C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCS1 ZINC000820752281 945549390 /nfs/dbraw/zinc/54/93/90/945549390.db2.gz LMWHXERBEIZFSB-SNVBAGLBSA-N -1 3 361.431 0.065 20 50 FCGDHM CC[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC000820995202 945608894 /nfs/dbraw/zinc/60/88/94/945608894.db2.gz NZMXXZSHJBVEHJ-SMDDNHRTSA-N -1 3 373.417 0.127 20 50 FCGDHM CC[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H](C)O1 ZINC000820995202 945608899 /nfs/dbraw/zinc/60/88/99/945608899.db2.gz NZMXXZSHJBVEHJ-SMDDNHRTSA-N -1 3 373.417 0.127 20 50 FCGDHM CCC[C@H]1C[C@@H]1NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821034736 945619237 /nfs/dbraw/zinc/61/92/37/945619237.db2.gz SIUKVUQRSSRJOM-AAEUAGOBSA-N -1 3 359.390 0.765 20 50 FCGDHM CCCNC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821114330 945638191 /nfs/dbraw/zinc/63/81/91/945638191.db2.gz OJFYNPWWHJNJGA-DELQEKLWSA-N -1 3 371.401 0.879 20 50 FCGDHM CCCNC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821114330 945638196 /nfs/dbraw/zinc/63/81/96/945638196.db2.gz OJFYNPWWHJNJGA-DELQEKLWSA-N -1 3 371.401 0.879 20 50 FCGDHM CCCNC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821114333 945638220 /nfs/dbraw/zinc/63/82/20/945638220.db2.gz OJFYNPWWHJNJGA-ZTFCMROMSA-N -1 3 371.401 0.879 20 50 FCGDHM CCCNC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821114333 945638224 /nfs/dbraw/zinc/63/82/24/945638224.db2.gz OJFYNPWWHJNJGA-ZTFCMROMSA-N -1 3 371.401 0.879 20 50 FCGDHM CCOC(=O)[C@H](C)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821313910 945669007 /nfs/dbraw/zinc/66/90/07/945669007.db2.gz JEYYIBBQZHTGSI-YRVKEHPISA-N -1 3 371.401 0.736 20 50 FCGDHM CCOC(=O)[C@H](C)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821313910 945669011 /nfs/dbraw/zinc/66/90/11/945669011.db2.gz JEYYIBBQZHTGSI-YRVKEHPISA-N -1 3 371.401 0.736 20 50 FCGDHM COc1ccc(C(=O)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)c(OC)c1 ZINC000821772532 945855647 /nfs/dbraw/zinc/85/56/47/945855647.db2.gz DSDZVVQJCUACLD-UHFFFAOYSA-N -1 3 371.357 0.297 20 50 FCGDHM COc1ccc(C(=O)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)c(OC)c1 ZINC000821772532 945855667 /nfs/dbraw/zinc/85/56/67/945855667.db2.gz DSDZVVQJCUACLD-UHFFFAOYSA-N -1 3 371.357 0.297 20 50 FCGDHM COc1cc[n-]c(=NNC(=O)NCCOc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000821904474 945902967 /nfs/dbraw/zinc/90/29/67/945902967.db2.gz WFKFJEZJRIEGKY-UHFFFAOYSA-N -1 3 371.361 0.370 20 50 FCGDHM CS/C=C\C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821956817 945910337 /nfs/dbraw/zinc/91/03/37/945910337.db2.gz YIKRDTQLZWPSKY-WAYWQWQTSA-N -1 3 362.371 0.048 20 50 FCGDHM CS/C=C\C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821956817 945910344 /nfs/dbraw/zinc/91/03/44/945910344.db2.gz YIKRDTQLZWPSKY-WAYWQWQTSA-N -1 3 362.371 0.048 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@](C)(O)C2CC2)cc(-c2nnn[n-]2)n1C ZINC000822026960 945926315 /nfs/dbraw/zinc/92/63/15/945926315.db2.gz BQHUOVZPZBHTBP-NIUUYTMRSA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@](C)(O)C2CC2)cc(-c2nn[n-]n2)n1C ZINC000822026960 945926323 /nfs/dbraw/zinc/92/63/23/945926323.db2.gz BQHUOVZPZBHTBP-NIUUYTMRSA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCc2nncn2C)cc(-c2nnn[n-]2)n1C ZINC000822027111 945928508 /nfs/dbraw/zinc/92/85/08/945928508.db2.gz CZSVLGFQUSZFAX-WCIBSUBMSA-N -1 3 353.346 0.293 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCc2nncn2C)cc(-c2nn[n-]n2)n1C ZINC000822027111 945928515 /nfs/dbraw/zinc/92/85/15/945928515.db2.gz CZSVLGFQUSZFAX-WCIBSUBMSA-N -1 3 353.346 0.293 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@]2(O)CCSC2)cc(-c2nnn[n-]2)n1C ZINC000822027608 945934885 /nfs/dbraw/zinc/93/48/85/945934885.db2.gz IQXBWPDXHPOJJZ-QUVLDCBQSA-N -1 3 373.442 0.405 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@]2(O)CCSC2)cc(-c2nn[n-]n2)n1C ZINC000822027608 945934896 /nfs/dbraw/zinc/93/48/96/945934896.db2.gz IQXBWPDXHPOJJZ-QUVLDCBQSA-N -1 3 373.442 0.405 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CCO)C(C)C)cc(-c2nnn[n-]2)n1C ZINC000822029318 945954656 /nfs/dbraw/zinc/95/46/56/945954656.db2.gz XDHGHCWRWLOFRM-GUNGLEHYSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CCO)C(C)C)cc(-c2nn[n-]n2)n1C ZINC000822029318 945954665 /nfs/dbraw/zinc/95/46/65/945954665.db2.gz XDHGHCWRWLOFRM-GUNGLEHYSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CCO)C(C)C)cc(-c2nnn[n-]2)n1C ZINC000822029324 945954701 /nfs/dbraw/zinc/95/47/01/945954701.db2.gz XDHGHCWRWLOFRM-SVSAJMPUSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CCO)C(C)C)cc(-c2nn[n-]n2)n1C ZINC000822029324 945954705 /nfs/dbraw/zinc/95/47/05/945954705.db2.gz XDHGHCWRWLOFRM-SVSAJMPUSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCCc2ccnn2C)cc(-c2nnn[n-]2)n1C ZINC000822029462 945957489 /nfs/dbraw/zinc/95/74/89/945957489.db2.gz ZCAXXLKCJRKCDZ-MDWZMJQESA-N -1 3 366.385 0.940 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCCc2ccnn2C)cc(-c2nn[n-]n2)n1C ZINC000822029462 945957497 /nfs/dbraw/zinc/95/74/97/945957497.db2.gz ZCAXXLKCJRKCDZ-MDWZMJQESA-N -1 3 366.385 0.940 20 50 FCGDHM Cc1ccc(CCC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822234722 946018521 /nfs/dbraw/zinc/01/85/21/946018521.db2.gz FPENWAKTUMIPLP-UHFFFAOYSA-N -1 3 370.369 0.927 20 50 FCGDHM Cc1ccc(OCC(=O)NNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1C ZINC000822262798 946036910 /nfs/dbraw/zinc/03/69/10/946036910.db2.gz FHOUJTJKMCLNEI-UHFFFAOYSA-N -1 3 355.358 0.652 20 50 FCGDHM Cc1ccc(OCC(=O)NNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1C ZINC000822262798 946036919 /nfs/dbraw/zinc/03/69/19/946036919.db2.gz FHOUJTJKMCLNEI-UHFFFAOYSA-N -1 3 355.358 0.652 20 50 FCGDHM Cc1cnc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822394486 946080410 /nfs/dbraw/zinc/08/04/10/946080410.db2.gz BDHIDTPIOHOHKH-UHFFFAOYSA-N -1 3 358.387 0.776 20 50 FCGDHM Cc1cnc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822394486 946080420 /nfs/dbraw/zinc/08/04/20/946080420.db2.gz BDHIDTPIOHOHKH-UHFFFAOYSA-N -1 3 358.387 0.776 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)c1cccc2cccnc21 ZINC000822645604 946144795 /nfs/dbraw/zinc/14/47/95/946144795.db2.gz GWIDTOJNNNERCJ-UHFFFAOYSA-N -1 3 362.353 0.828 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)c1cccc2cccnc21 ZINC000822645604 946144799 /nfs/dbraw/zinc/14/47/99/946144799.db2.gz GWIDTOJNNNERCJ-UHFFFAOYSA-N -1 3 362.353 0.828 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)CCOc1ccccc1 ZINC000822645923 946147875 /nfs/dbraw/zinc/14/78/75/946147875.db2.gz XEWVKHJGBJGXDG-UHFFFAOYSA-N -1 3 355.358 0.435 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)CCOc1ccccc1 ZINC000822645923 946147880 /nfs/dbraw/zinc/14/78/80/946147880.db2.gz XEWVKHJGBJGXDG-UHFFFAOYSA-N -1 3 355.358 0.435 20 50 FCGDHM O=C(COC(=O)CCC1CCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018319 946269937 /nfs/dbraw/zinc/26/99/37/946269937.db2.gz KOCPVWTXNHEWLY-UHFFFAOYSA-N -1 3 372.385 0.751 20 50 FCGDHM O=C(COC(=O)CCC1CCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018319 946269948 /nfs/dbraw/zinc/26/99/48/946269948.db2.gz KOCPVWTXNHEWLY-UHFFFAOYSA-N -1 3 372.385 0.751 20 50 FCGDHM O=C(COC(=O)[C@@H]1CC12CCC2)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018070 946271842 /nfs/dbraw/zinc/27/18/42/946271842.db2.gz HGVJZCCVYYFJIX-LBPRGKRZSA-N -1 3 370.369 0.361 20 50 FCGDHM O=C(COC(=O)[C@@H]1CC12CCC2)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018070 946271853 /nfs/dbraw/zinc/27/18/53/946271853.db2.gz HGVJZCCVYYFJIX-LBPRGKRZSA-N -1 3 370.369 0.361 20 50 FCGDHM O=C(COC(=O)[C@@H]1CC12CCC2)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018467 946274012 /nfs/dbraw/zinc/27/40/12/946274012.db2.gz OPJNPVIJJLJTJG-LBPRGKRZSA-N -1 3 370.369 0.361 20 50 FCGDHM O=C(COC(=O)[C@@H]1CC12CCC2)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018467 946274023 /nfs/dbraw/zinc/27/40/23/946274023.db2.gz OPJNPVIJJLJTJG-LBPRGKRZSA-N -1 3 370.369 0.361 20 50 FCGDHM O=C(COC(=O)CC1CCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018440 946274273 /nfs/dbraw/zinc/27/42/73/946274273.db2.gz NTTDCLZEPJNTLF-UHFFFAOYSA-N -1 3 358.358 0.361 20 50 FCGDHM O=C(COC(=O)CC1CCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018440 946274282 /nfs/dbraw/zinc/27/42/82/946274282.db2.gz NTTDCLZEPJNTLF-UHFFFAOYSA-N -1 3 358.358 0.361 20 50 FCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NCCC(F)(F)F ZINC000823050224 946296831 /nfs/dbraw/zinc/29/68/31/946296831.db2.gz RXJGCPDCKPOUBX-UHFFFAOYSA-N -1 3 373.295 0.528 20 50 FCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NCCC(F)(F)F ZINC000823050224 946296841 /nfs/dbraw/zinc/29/68/41/946296841.db2.gz RXJGCPDCKPOUBX-UHFFFAOYSA-N -1 3 373.295 0.528 20 50 FCGDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NNC(=O)c1ccccc1 ZINC000823214904 946346341 /nfs/dbraw/zinc/34/63/41/946346341.db2.gz FPSWVXWMAYUVKZ-UHFFFAOYSA-N -1 3 367.369 0.890 20 50 FCGDHM O=C(NN=C1CCCc2cc(-c3nnn[n-]3)ccc21)C(=O)N1CCCC1 ZINC000823269843 946367801 /nfs/dbraw/zinc/36/78/01/946367801.db2.gz QVZPLKRUEYHTRC-UHFFFAOYSA-N -1 3 353.386 0.646 20 50 FCGDHM O=C(NN=C1CCCc2cc(-c3nn[n-]n3)ccc21)C(=O)N1CCCC1 ZINC000823269843 946367812 /nfs/dbraw/zinc/36/78/12/946367812.db2.gz QVZPLKRUEYHTRC-UHFFFAOYSA-N -1 3 353.386 0.646 20 50 FCGDHM O=C(NNC(=O)[C@@H]1CSCCS1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823273028 946372211 /nfs/dbraw/zinc/37/22/11/946372211.db2.gz BSCLKUGOFQDGEL-JTQLQIEISA-N -1 3 350.429 0.476 20 50 FCGDHM O=C(NNC(=O)[C@@H]1CSCCS1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823273028 946372223 /nfs/dbraw/zinc/37/22/23/946372223.db2.gz BSCLKUGOFQDGEL-JTQLQIEISA-N -1 3 350.429 0.476 20 50 FCGDHM O=C(NNC(=O)[C@H]1CSCCS1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823273030 946373188 /nfs/dbraw/zinc/37/31/88/946373188.db2.gz BSCLKUGOFQDGEL-SNVBAGLBSA-N -1 3 350.429 0.476 20 50 FCGDHM O=C(NNC(=O)[C@H]1CSCCS1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823273030 946373197 /nfs/dbraw/zinc/37/31/97/946373197.db2.gz BSCLKUGOFQDGEL-SNVBAGLBSA-N -1 3 350.429 0.476 20 50 FCGDHM O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823277077 946393493 /nfs/dbraw/zinc/39/34/93/946393493.db2.gz DMEJUWIOVZESJK-UHFFFAOYSA-N -1 3 355.314 0.041 20 50 FCGDHM O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823277077 946393496 /nfs/dbraw/zinc/39/34/96/946393496.db2.gz DMEJUWIOVZESJK-UHFFFAOYSA-N -1 3 355.314 0.041 20 50 FCGDHM C[C@@H](NCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000824563477 946802156 /nfs/dbraw/zinc/80/21/56/946802156.db2.gz PFCHUJBCBAICIY-LLVKDONJSA-N -1 3 366.385 0.374 20 50 FCGDHM C[C@H](C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCO1 ZINC001573729718 948571170 /nfs/dbraw/zinc/57/11/70/948571170.db2.gz JRMJSQIFUGDEBG-GXFFZTMASA-N -1 3 360.374 0.208 20 50 FCGDHM CCCC1N=NC(=S)N1CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825353542 607355007 /nfs/dbraw/zinc/35/50/07/607355007.db2.gz YJIWWMKJEQDFDT-UHFFFAOYSA-N -1 3 359.419 0.843 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000826446119 607355574 /nfs/dbraw/zinc/35/55/74/607355574.db2.gz AKLJVIMQDYBQBD-SECBINFHSA-N -1 3 369.307 0.721 20 50 FCGDHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826233469 607354377 /nfs/dbraw/zinc/35/43/77/607354377.db2.gz IKRFNWKIKMVWOQ-UHFFFAOYSA-N -1 3 365.357 0.197 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cnn2c1CCCC2 ZINC000826445502 607567844 /nfs/dbraw/zinc/56/78/44/607567844.db2.gz XBRPYFHTTHCRMR-UHFFFAOYSA-N -1 3 352.358 0.474 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCc2ccnn2C)cc(-c2nnn[n-]2)n1C ZINC000826235319 607618675 /nfs/dbraw/zinc/61/86/75/607618675.db2.gz HJANWXWETPHMSM-WUXMJOGZSA-N -1 3 352.358 0.898 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCc2ccnn2C)cc(-c2nn[n-]n2)n1C ZINC000826235319 607618677 /nfs/dbraw/zinc/61/86/77/607618677.db2.gz HJANWXWETPHMSM-WUXMJOGZSA-N -1 3 352.358 0.898 20 50 FCGDHM CCC1(CC)NC(=O)N(CC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000825170670 607732826 /nfs/dbraw/zinc/73/28/26/607732826.db2.gz FKLSSZIRXMCTGR-UHFFFAOYSA-N -1 3 372.389 0.420 20 50 FCGDHM CCC1(CC)NC(=O)N(CC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000825170670 607732828 /nfs/dbraw/zinc/73/28/28/607732828.db2.gz FKLSSZIRXMCTGR-UHFFFAOYSA-N -1 3 372.389 0.420 20 50 FCGDHM O=C(NN=c1nc(N2CCOCC2)cc[nH]1)c1sccc1-c1nnn[n-]1 ZINC000823284724 606831014 /nfs/dbraw/zinc/83/10/14/606831014.db2.gz IZSCCSXKIHRFFH-UHFFFAOYSA-N -1 3 373.402 0.312 20 50 FCGDHM O=C(NN=c1nc(N2CCOCC2)cc[nH]1)c1sccc1-c1nn[n-]n1 ZINC000823284724 606831016 /nfs/dbraw/zinc/83/10/16/606831016.db2.gz IZSCCSXKIHRFFH-UHFFFAOYSA-N -1 3 373.402 0.312 20 50 FCGDHM CC(=O)N1CC[C@@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC000823974452 607781911 /nfs/dbraw/zinc/78/19/11/607781911.db2.gz PKJGPUOGJGROAX-QMTHXVAHSA-N -1 3 358.406 0.750 20 50 FCGDHM CC(=O)N1CC[C@@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC000823974452 607781912 /nfs/dbraw/zinc/78/19/12/607781912.db2.gz PKJGPUOGJGROAX-QMTHXVAHSA-N -1 3 358.406 0.750 20 50 FCGDHM C[C@@H]1OCC[C@@H]1SCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825022237 607845359 /nfs/dbraw/zinc/84/53/59/607845359.db2.gz WZBAYWDBASPWAO-CABZTGNLSA-N -1 3 362.415 0.538 20 50 FCGDHM C[C@@H]1OCC[C@@H]1SCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825022237 607845360 /nfs/dbraw/zinc/84/53/60/607845360.db2.gz WZBAYWDBASPWAO-CABZTGNLSA-N -1 3 362.415 0.538 20 50 FCGDHM C[C@H]1OCC[C@@H]1SCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825022241 607845675 /nfs/dbraw/zinc/84/56/75/607845675.db2.gz WZBAYWDBASPWAO-SKDRFNHKSA-N -1 3 362.415 0.538 20 50 FCGDHM C[C@H]1OCC[C@@H]1SCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825022241 607845676 /nfs/dbraw/zinc/84/56/76/607845676.db2.gz WZBAYWDBASPWAO-SKDRFNHKSA-N -1 3 362.415 0.538 20 50 FCGDHM C[C@@H](C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000824040718 607879325 /nfs/dbraw/zinc/87/93/25/607879325.db2.gz UQXVTJSNFUTJGP-LLVKDONJSA-N -1 3 374.401 0.456 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=Cc1cnc2ncccn12 ZINC000826417291 607882381 /nfs/dbraw/zinc/88/23/81/607882381.db2.gz LMUSRHLWEHIGSN-UHFFFAOYSA-N -1 3 363.341 0.439 20 50 FCGDHM O=C(NNC(=S)NC[C@@H]1CCCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC000826445105 607967575 /nfs/dbraw/zinc/96/75/75/607967575.db2.gz HCMXPACJZMKQCY-LBPRGKRZSA-N -1 3 361.431 0.545 20 50 FCGDHM O=C(NNC(=S)NC[C@@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1 ZINC000826445105 607967576 /nfs/dbraw/zinc/96/75/76/607967576.db2.gz HCMXPACJZMKQCY-LBPRGKRZSA-N -1 3 361.431 0.545 20 50 FCGDHM Cc1c(CCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cnn1C ZINC000826236590 607981816 /nfs/dbraw/zinc/98/18/16/607981816.db2.gz SQIWAXUFPMHDBM-UHFFFAOYSA-N -1 3 354.374 0.302 20 50 FCGDHM Cc1c(CCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cnn1C ZINC000826236590 607981817 /nfs/dbraw/zinc/98/18/17/607981817.db2.gz SQIWAXUFPMHDBM-UHFFFAOYSA-N -1 3 354.374 0.302 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccc[nH]1 ZINC000824498163 608032416 /nfs/dbraw/zinc/03/24/16/608032416.db2.gz CLXXXJIEAYZJDI-SNVBAGLBSA-N -1 3 370.373 0.665 20 50 FCGDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NNc1ncc(F)cn1 ZINC000826174526 608037797 /nfs/dbraw/zinc/03/77/97/608037797.db2.gz AJKLBTAJMNREOE-UHFFFAOYSA-N -1 3 360.309 0.327 20 50 FCGDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NNc1ncc(F)cn1 ZINC000826174526 608037798 /nfs/dbraw/zinc/03/77/98/608037798.db2.gz AJKLBTAJMNREOE-UHFFFAOYSA-N -1 3 360.309 0.327 20 50 FCGDHM O=C(CN1CCCSCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826411217 608040793 /nfs/dbraw/zinc/04/07/93/608040793.db2.gz PBFCZOYJBWLIFK-UHFFFAOYSA-N -1 3 361.431 0.067 20 50 FCGDHM COc1ccc(NCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826210646 608113547 /nfs/dbraw/zinc/11/35/47/608113547.db2.gz ZFWIECDJTIEIQC-UHFFFAOYSA-N -1 3 356.346 0.077 20 50 FCGDHM COc1ccc(NCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826210646 608113548 /nfs/dbraw/zinc/11/35/48/608113548.db2.gz ZFWIECDJTIEIQC-UHFFFAOYSA-N -1 3 356.346 0.077 20 50 FCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)Cc1ccsc1 ZINC000825892563 608123538 /nfs/dbraw/zinc/12/35/38/608123538.db2.gz OZNYZABBBSUXHQ-UHFFFAOYSA-N -1 3 371.426 0.821 20 50 FCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)Cc1ccsc1 ZINC000825892563 608123539 /nfs/dbraw/zinc/12/35/39/608123539.db2.gz OZNYZABBBSUXHQ-UHFFFAOYSA-N -1 3 371.426 0.821 20 50 FCGDHM Cc1c(NC(=O)C(=O)NNc2ccc(Cl)nn2)cccc1-c1nn[n-]n1 ZINC000826241107 608141169 /nfs/dbraw/zinc/14/11/69/608141169.db2.gz RHVWWSCZVRJLEK-UHFFFAOYSA-N -1 3 373.764 0.700 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826448427 608205333 /nfs/dbraw/zinc/20/53/33/608205333.db2.gz UZBFRNMKJNNYMO-XJKSGUPXSA-N -1 3 359.390 0.831 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000826448427 608205335 /nfs/dbraw/zinc/20/53/35/608205335.db2.gz UZBFRNMKJNNYMO-XJKSGUPXSA-N -1 3 359.390 0.831 20 50 FCGDHM CCC[C@H](NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)C(=O)OC ZINC000825241947 608333965 /nfs/dbraw/zinc/33/39/65/608333965.db2.gz FGUHAQGLKUMLBK-OTAKNEKHSA-N -1 3 371.401 0.879 20 50 FCGDHM CCC[C@H](NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C(=O)OC ZINC000825241947 608333966 /nfs/dbraw/zinc/33/39/66/608333966.db2.gz FGUHAQGLKUMLBK-OTAKNEKHSA-N -1 3 371.401 0.879 20 50 FCGDHM CN(CC1CCOCC1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825914552 608401174 /nfs/dbraw/zinc/40/11/74/608401174.db2.gz JWGZNIZWXQATBT-UHFFFAOYSA-N -1 3 359.390 0.580 20 50 FCGDHM CN(CC1CCOCC1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825914552 608401176 /nfs/dbraw/zinc/40/11/76/608401176.db2.gz JWGZNIZWXQATBT-UHFFFAOYSA-N -1 3 359.390 0.580 20 50 FCGDHM C[C@@H]1CC(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H](C)O1 ZINC000824894310 608404590 /nfs/dbraw/zinc/40/45/90/608404590.db2.gz XYCNXQRUQAWMBV-NXEZZACHSA-N -1 3 359.390 0.767 20 50 FCGDHM C[C@@H]1CC(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H](C)O1 ZINC000824894310 608404592 /nfs/dbraw/zinc/40/45/92/608404592.db2.gz XYCNXQRUQAWMBV-NXEZZACHSA-N -1 3 359.390 0.767 20 50 FCGDHM C=CC[C@H](CO)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000823888882 608561734 /nfs/dbraw/zinc/56/17/34/608561734.db2.gz ZKZIZRKEYYIOOL-VWBIBIBXSA-N -1 3 355.402 0.721 20 50 FCGDHM C=CC[C@H](CO)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000823888882 608561735 /nfs/dbraw/zinc/56/17/35/608561735.db2.gz ZKZIZRKEYYIOOL-VWBIBIBXSA-N -1 3 355.402 0.721 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(-n2nccn2)nc1 ZINC000826447933 608807933 /nfs/dbraw/zinc/80/79/33/608807933.db2.gz BJVOVHMAYBVYAE-UHFFFAOYSA-N -1 3 363.345 0.991 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(-n2nccn2)nc1 ZINC000826447933 608807938 /nfs/dbraw/zinc/80/79/38/608807938.db2.gz BJVOVHMAYBVYAE-UHFFFAOYSA-N -1 3 363.345 0.991 20 50 FCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@H]1CCO[C@@H]1C ZINC000824739348 608882608 /nfs/dbraw/zinc/88/26/08/608882608.db2.gz WHCVDBPAKBNCIK-NRUUGDAUSA-N -1 3 360.374 0.206 20 50 FCGDHM CCc1nn(C)cc1C=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000825762463 608882673 /nfs/dbraw/zinc/88/26/73/608882673.db2.gz CFGMBHYDBGPAFT-UHFFFAOYSA-N -1 3 354.374 0.692 20 50 FCGDHM CCc1nn(C)cc1C=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000825762463 608882675 /nfs/dbraw/zinc/88/26/75/608882675.db2.gz CFGMBHYDBGPAFT-UHFFFAOYSA-N -1 3 354.374 0.692 20 50 FCGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNc1ccnc(F)c1 ZINC000826411720 609351443 /nfs/dbraw/zinc/35/14/43/609351443.db2.gz KBDAFYUOSLGMEK-UHFFFAOYSA-N -1 3 356.321 0.274 20 50 FCGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNc1ccnc(F)c1 ZINC000826411720 609351445 /nfs/dbraw/zinc/35/14/45/609351445.db2.gz KBDAFYUOSLGMEK-UHFFFAOYSA-N -1 3 356.321 0.274 20 50 FCGDHM CC(C)[C@H]1CN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824223417 609443231 /nfs/dbraw/zinc/44/32/31/609443231.db2.gz IGVNPXBYJAZFEW-CYBMUJFWSA-N -1 3 359.390 0.578 20 50 FCGDHM CC(C)[C@H]1CN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824223417 609443233 /nfs/dbraw/zinc/44/32/33/609443233.db2.gz IGVNPXBYJAZFEW-CYBMUJFWSA-N -1 3 359.390 0.578 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CC(n3ccnn3)C2)cc(-c2nn[n-]n2)n1C ZINC000826235627 609472795 /nfs/dbraw/zinc/47/27/95/609472795.db2.gz NQYLNXACUDPGSH-LFYBBSHMSA-N -1 3 364.373 0.096 20 50 FCGDHM C[C@@]1(C#N)CCCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824780022 609607642 /nfs/dbraw/zinc/60/76/42/609607642.db2.gz ZUTBRBNVJMPQAW-INIZCTEOSA-N -1 3 354.374 0.847 20 50 FCGDHM C[C@@]1(C#N)CCCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824780022 609607645 /nfs/dbraw/zinc/60/76/45/609607645.db2.gz ZUTBRBNVJMPQAW-INIZCTEOSA-N -1 3 354.374 0.847 20 50 FCGDHM Cc1csc(CCNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000737453181 945070975 /nfs/dbraw/zinc/07/09/75/945070975.db2.gz RWHVXYXGDXSTRS-UHFFFAOYSA-N -1 3 372.414 0.818 20 50 FCGDHM Cc1csc(CCNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000737453181 945070987 /nfs/dbraw/zinc/07/09/87/945070987.db2.gz RWHVXYXGDXSTRS-UHFFFAOYSA-N -1 3 372.414 0.818 20 50 FCGDHM Cc1nc(COC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)no1 ZINC000737478804 945077245 /nfs/dbraw/zinc/07/72/45/945077245.db2.gz ZUAKTCVTOJESBQ-NYYWCZLTSA-N -1 3 354.330 0.855 20 50 FCGDHM Cc1nc(COC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)no1 ZINC000737478804 945077253 /nfs/dbraw/zinc/07/72/53/945077253.db2.gz ZUAKTCVTOJESBQ-NYYWCZLTSA-N -1 3 354.330 0.855 20 50 FCGDHM Cc1nn(C)cc1[C@H](C)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737513752 945088086 /nfs/dbraw/zinc/08/80/86/945088086.db2.gz STUOTJQGVXOWTN-VIFPVBQESA-N -1 3 369.389 0.614 20 50 FCGDHM Cc1nn(C)cc1[C@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737513752 945088098 /nfs/dbraw/zinc/08/80/98/945088098.db2.gz STUOTJQGVXOWTN-VIFPVBQESA-N -1 3 369.389 0.614 20 50 FCGDHM Cc1noc(C)c1CCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737535849 945090324 /nfs/dbraw/zinc/09/03/24/945090324.db2.gz CRCWRCWWEUFBNQ-UHFFFAOYSA-N -1 3 355.358 0.865 20 50 FCGDHM Cc1noc(C)c1CCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737535849 945090330 /nfs/dbraw/zinc/09/03/30/945090330.db2.gz CRCWRCWWEUFBNQ-UHFFFAOYSA-N -1 3 355.358 0.865 20 50 FCGDHM NC(=O)[C@@H](NNC(=O)c1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736308 945118760 /nfs/dbraw/zinc/11/87/60/945118760.db2.gz HOCHBUDZOSDSAP-ZDUSSCGKSA-N -1 3 355.333 0.467 20 50 FCGDHM NC(=O)[C@@H](NNC(=O)c1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736308 945118764 /nfs/dbraw/zinc/11/87/64/945118764.db2.gz HOCHBUDZOSDSAP-ZDUSSCGKSA-N -1 3 355.333 0.467 20 50 FCGDHM NC(=O)[C@H](NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000737737476 945120736 /nfs/dbraw/zinc/12/07/36/945120736.db2.gz RJUNIBPUUBXHND-CYBMUJFWSA-N -1 3 355.333 0.467 20 50 FCGDHM NC(=O)[C@H](NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000737737476 945120744 /nfs/dbraw/zinc/12/07/44/945120744.db2.gz RJUNIBPUUBXHND-CYBMUJFWSA-N -1 3 355.333 0.467 20 50 FCGDHM Nc1cc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc(Cl)n1 ZINC000737774572 945124182 /nfs/dbraw/zinc/12/41/82/945124182.db2.gz RSEQMCDRYCPCLC-UHFFFAOYSA-N -1 3 358.749 0.572 20 50 FCGDHM Nc1cc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc(Cl)n1 ZINC000737774572 945124186 /nfs/dbraw/zinc/12/41/86/945124186.db2.gz RSEQMCDRYCPCLC-UHFFFAOYSA-N -1 3 358.749 0.572 20 50 FCGDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NN=c1nc[nH]c2[nH]cnc21 ZINC000737852723 945138404 /nfs/dbraw/zinc/13/84/04/945138404.db2.gz GANKMBBUAJSSON-UHFFFAOYSA-N -1 3 350.346 0.609 20 50 FCGDHM O=C(COc1ccccc1O)NNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737930510 945158092 /nfs/dbraw/zinc/15/80/92/945158092.db2.gz PZSMNLAAAXLXCB-UHFFFAOYSA-N -1 3 369.341 0.804 20 50 FCGDHM O=C(COc1ccccc1O)NNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737930510 945158097 /nfs/dbraw/zinc/15/80/97/945158097.db2.gz PZSMNLAAAXLXCB-UHFFFAOYSA-N -1 3 369.341 0.804 20 50 FCGDHM O=C(CSC[C@H]1CCCO1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737933691 945160358 /nfs/dbraw/zinc/16/03/58/945160358.db2.gz ZEDVPJSTCGMUSN-GFCCVEGCSA-N -1 3 362.415 0.540 20 50 FCGDHM O=C(CSC[C@H]1CCCO1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737933691 945160364 /nfs/dbraw/zinc/16/03/64/945160364.db2.gz ZEDVPJSTCGMUSN-GFCCVEGCSA-N -1 3 362.415 0.540 20 50 FCGDHM O=C(NNc1cnccn1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738136655 945238272 /nfs/dbraw/zinc/23/82/72/945238272.db2.gz ILNMXXIVICGDMZ-ZDUSSCGKSA-N -1 3 351.374 0.769 20 50 FCGDHM C#CCNC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000819701450 945273552 /nfs/dbraw/zinc/27/35/52/945273552.db2.gz HTOPTESRMAVCNA-ZTFCMROMSA-N -1 3 367.369 0.102 20 50 FCGDHM C#CCNC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000819701450 945273563 /nfs/dbraw/zinc/27/35/63/945273563.db2.gz HTOPTESRMAVCNA-ZTFCMROMSA-N -1 3 367.369 0.102 20 50 FCGDHM C=CCCCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819734477 945274712 /nfs/dbraw/zinc/27/47/12/945274712.db2.gz OWQWAPQYENWWHM-UHFFFAOYSA-N -1 3 358.358 0.527 20 50 FCGDHM C=CCCCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819734477 945274721 /nfs/dbraw/zinc/27/47/21/945274721.db2.gz OWQWAPQYENWWHM-UHFFFAOYSA-N -1 3 358.358 0.527 20 50 FCGDHM CC(C)[C@H]1OCC[C@H]1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820046823 945336304 /nfs/dbraw/zinc/33/63/04/945336304.db2.gz UZUHUJXZVQGNKT-UONOGXRCSA-N -1 3 373.417 0.872 20 50 FCGDHM CC(C)[C@H]1OCC[C@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820046823 945336307 /nfs/dbraw/zinc/33/63/07/945336307.db2.gz UZUHUJXZVQGNKT-UONOGXRCSA-N -1 3 373.417 0.872 20 50 FCGDHM C[C@@H](C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000735550274 944668490 /nfs/dbraw/zinc/66/84/90/944668490.db2.gz HNXVTDMFCNGJNP-SNVBAGLBSA-N -1 3 356.342 0.790 20 50 FCGDHM CC(C)[C@@H](C)CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000735703589 944691254 /nfs/dbraw/zinc/69/12/54/944691254.db2.gz VBSVVGBHSVEOJN-NSHDSACASA-N -1 3 361.406 0.868 20 50 FCGDHM CC(C)N(CC(=O)NNC(=O)C1CC1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735859094 944706685 /nfs/dbraw/zinc/70/66/85/944706685.db2.gz OVISAMGTTFVNPA-UHFFFAOYSA-N -1 3 357.418 0.635 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)Cc1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736119706 944743570 /nfs/dbraw/zinc/74/35/70/944743570.db2.gz UCKMTUXSCFZGDM-NSHDSACASA-N -1 3 366.385 0.896 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)Cc1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736119706 944743576 /nfs/dbraw/zinc/74/35/76/944743576.db2.gz UCKMTUXSCFZGDM-NSHDSACASA-N -1 3 366.385 0.896 20 50 FCGDHM C[C@@H](OC[C@H]1CCCO1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736163735 944751863 /nfs/dbraw/zinc/75/18/63/944751863.db2.gz JSLPUZOMWDTNDL-ZWNOBZJWSA-N -1 3 360.374 0.212 20 50 FCGDHM C[C@@H](OC[C@H]1CCCO1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736163735 944751870 /nfs/dbraw/zinc/75/18/70/944751870.db2.gz JSLPUZOMWDTNDL-ZWNOBZJWSA-N -1 3 360.374 0.212 20 50 FCGDHM CC1(C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)[C@@H]2CCO[C@@H]21 ZINC000736204690 944761516 /nfs/dbraw/zinc/76/15/16/944761516.db2.gz FSPYAYHGBUTMIG-XQQFMLRXSA-N -1 3 371.401 0.624 20 50 FCGDHM CC1(C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H]2CCO[C@@H]21 ZINC000736204690 944761522 /nfs/dbraw/zinc/76/15/22/944761522.db2.gz FSPYAYHGBUTMIG-XQQFMLRXSA-N -1 3 371.401 0.624 20 50 FCGDHM CC1(C)C[C@@H]1CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736209642 944763923 /nfs/dbraw/zinc/76/39/23/944763923.db2.gz CHHQIMIQLCHKIO-LLVKDONJSA-N -1 3 359.390 0.622 20 50 FCGDHM CC1(C)CN(CCNC(=O)NNc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000736213094 944765513 /nfs/dbraw/zinc/76/55/13/944765513.db2.gz GGXOTHNJMICCGD-UHFFFAOYSA-N -1 3 360.422 0.604 20 50 FCGDHM CC1(C)CN(CCNC(=O)NNc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000736213094 944765521 /nfs/dbraw/zinc/76/55/21/944765521.db2.gz GGXOTHNJMICCGD-UHFFFAOYSA-N -1 3 360.422 0.604 20 50 FCGDHM C[C@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736262518 944779806 /nfs/dbraw/zinc/77/98/06/944779806.db2.gz NDXOYTNAOYPVOF-GWCFXTLKSA-N -1 3 359.390 0.765 20 50 FCGDHM CC[C@H](C)NC(=O)CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736327663 944802975 /nfs/dbraw/zinc/80/29/75/944802975.db2.gz RXTHNUYRZCKVSN-JTQLQIEISA-N -1 3 374.405 0.116 20 50 FCGDHM CC[C@H](C)NC(=O)CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736327663 944802980 /nfs/dbraw/zinc/80/29/80/944802980.db2.gz RXTHNUYRZCKVSN-JTQLQIEISA-N -1 3 374.405 0.116 20 50 FCGDHM CCCn1nccc1NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736502585 944835235 /nfs/dbraw/zinc/83/52/35/944835235.db2.gz OFDAAUATENFNAI-UHFFFAOYSA-N -1 3 355.362 0.940 20 50 FCGDHM CCCn1nccc1NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736502585 944835243 /nfs/dbraw/zinc/83/52/43/944835243.db2.gz OFDAAUATENFNAI-UHFFFAOYSA-N -1 3 355.362 0.940 20 50 FCGDHM CCO[C@@H]1CCCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736609227 944854075 /nfs/dbraw/zinc/85/40/75/944854075.db2.gz DTPXDFIKWMZPGQ-CYBMUJFWSA-N -1 3 359.390 0.722 20 50 FCGDHM CCO[C@@H]1CCCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736609227 944854085 /nfs/dbraw/zinc/85/40/85/944854085.db2.gz DTPXDFIKWMZPGQ-CYBMUJFWSA-N -1 3 359.390 0.722 20 50 FCGDHM CN(CCNC(=O)NNc1cccc(-c2nnn[n-]2)c1)CC(F)(F)F ZINC000736799582 944893215 /nfs/dbraw/zinc/89/32/15/944893215.db2.gz AOBDWHQYLIMEKT-UHFFFAOYSA-N -1 3 358.328 0.987 20 50 FCGDHM CN(CCNC(=O)NNc1cccc(-c2nn[n-]n2)c1)CC(F)(F)F ZINC000736799582 944893227 /nfs/dbraw/zinc/89/32/27/944893227.db2.gz AOBDWHQYLIMEKT-UHFFFAOYSA-N -1 3 358.328 0.987 20 50 FCGDHM CNC(=O)CCN(C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736870391 944904214 /nfs/dbraw/zinc/90/42/14/944904214.db2.gz HECJYMNQAVATKE-GHXNOFRVSA-N -1 3 356.390 0.015 20 50 FCGDHM CNC(=O)CCN(C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736870391 944904218 /nfs/dbraw/zinc/90/42/18/944904218.db2.gz HECJYMNQAVATKE-GHXNOFRVSA-N -1 3 356.390 0.015 20 50 FCGDHM COCCOC[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000737005681 944932036 /nfs/dbraw/zinc/93/20/36/944932036.db2.gz IWQBJDYFADSTOJ-ODYDIQAQSA-N -1 3 373.417 0.588 20 50 FCGDHM COCCOC[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000737005681 944932045 /nfs/dbraw/zinc/93/20/45/944932045.db2.gz IWQBJDYFADSTOJ-ODYDIQAQSA-N -1 3 373.417 0.588 20 50 FCGDHM C[S@@](=O)c1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737171984 944973939 /nfs/dbraw/zinc/97/39/39/944973939.db2.gz QSIXTMMZTJGNSB-AREMUKBSSA-N -1 3 370.394 0.679 20 50 FCGDHM C[S@@](=O)c1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737171984 944973943 /nfs/dbraw/zinc/97/39/43/944973943.db2.gz QSIXTMMZTJGNSB-AREMUKBSSA-N -1 3 370.394 0.679 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)[C@@H]2CCN(C)C2=O)cc(-c2nnn[n-]2)n1C ZINC000737212049 944991542 /nfs/dbraw/zinc/99/15/42/944991542.db2.gz HIECZGDQEYOLPW-BWODNOAJSA-N -1 3 368.401 0.110 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)[C@@H]2CCN(C)C2=O)cc(-c2nn[n-]n2)n1C ZINC000737212049 944991544 /nfs/dbraw/zinc/99/15/44/944991544.db2.gz HIECZGDQEYOLPW-BWODNOAJSA-N -1 3 368.401 0.110 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)Nc2c[nH]ccc2=O)cc(-c2nnn[n-]2)n1C ZINC000737214034 945013505 /nfs/dbraw/zinc/01/35/05/945013505.db2.gz ZRCOCQQYRSPYIO-VZUCSPMQSA-N -1 3 350.342 0.748 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)Nc2c[nH]ccc2=O)cc(-c2nn[n-]n2)n1C ZINC000737214034 945013514 /nfs/dbraw/zinc/01/35/14/945013514.db2.gz ZRCOCQQYRSPYIO-VZUCSPMQSA-N -1 3 350.342 0.748 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC000820372764 945432828 /nfs/dbraw/zinc/43/28/28/945432828.db2.gz BRDFINLWMGASHU-JTQLQIEISA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC000820372764 945432838 /nfs/dbraw/zinc/43/28/38/945432838.db2.gz BRDFINLWMGASHU-JTQLQIEISA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)Cc1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374561 945436902 /nfs/dbraw/zinc/43/69/02/945436902.db2.gz OTZSXHRNKNSRKV-LLVKDONJSA-N -1 3 366.385 0.896 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)Cc1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374561 945436908 /nfs/dbraw/zinc/43/69/08/945436908.db2.gz OTZSXHRNKNSRKV-LLVKDONJSA-N -1 3 366.385 0.896 20 50 FCGDHM CC1(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC000820577072 945488708 /nfs/dbraw/zinc/48/87/08/945488708.db2.gz IPRKHVNBNRVVFZ-UHFFFAOYSA-N -1 3 372.385 0.751 20 50 FCGDHM CC1(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000820577072 945488715 /nfs/dbraw/zinc/48/87/15/945488715.db2.gz IPRKHVNBNRVVFZ-UHFFFAOYSA-N -1 3 372.385 0.751 20 50 FCGDHM CC1(CNC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000820618484 945499151 /nfs/dbraw/zinc/49/91/51/945499151.db2.gz GAJLTLRCNUFMBS-UHFFFAOYSA-N -1 3 359.390 0.766 20 50 FCGDHM C[C@H]1CC[C@H](CCC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820690968 945529877 /nfs/dbraw/zinc/52/98/77/945529877.db2.gz URHADOYAYXAJLO-SMDDNHRTSA-N -1 3 374.401 0.741 20 50 FCGDHM C[C@@H]1N(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCOC1(C)C ZINC000820820973 945560082 /nfs/dbraw/zinc/56/00/82/945560082.db2.gz QUOGLMKGVZPSMK-JTQLQIEISA-N -1 3 359.390 0.720 20 50 FCGDHM C[C@@H]1N(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCOC1(C)C ZINC000820820973 945560084 /nfs/dbraw/zinc/56/00/84/945560084.db2.gz QUOGLMKGVZPSMK-JTQLQIEISA-N -1 3 359.390 0.720 20 50 FCGDHM CCC1(CNC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)CC1 ZINC000820961792 945598878 /nfs/dbraw/zinc/59/88/78/945598878.db2.gz BWULRWMDRZBUKN-UHFFFAOYSA-N -1 3 359.390 0.766 20 50 FCGDHM CCC1(CNC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)CC1 ZINC000820961792 945598883 /nfs/dbraw/zinc/59/88/83/945598883.db2.gz BWULRWMDRZBUKN-UHFFFAOYSA-N -1 3 359.390 0.766 20 50 FCGDHM CC[C@@H]1CC[C@H](C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820971266 945601936 /nfs/dbraw/zinc/60/19/36/945601936.db2.gz AHZCPGDBVISCQV-DGCLKSJQSA-N -1 3 360.374 0.351 20 50 FCGDHM CCC[C@@H](NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC ZINC000821020715 945613964 /nfs/dbraw/zinc/61/39/64/945613964.db2.gz HBQNYPDNSYOZCP-CYBMUJFWSA-N -1 3 362.390 0.598 20 50 FCGDHM CCN1CCO[C@@H](C(=O)NNc2oc(C(C)C)nc2-c2nn[n-]n2)C1 ZINC000821277423 945664541 /nfs/dbraw/zinc/66/45/41/945664541.db2.gz SMFIGRWJPDBJSI-SECBINFHSA-N -1 3 350.383 0.142 20 50 FCGDHM CCOC(=O)[C@H](C)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821313897 945668231 /nfs/dbraw/zinc/66/82/31/945668231.db2.gz JEYYIBBQZHTGSI-KUKWCLJQSA-N -1 3 371.401 0.736 20 50 FCGDHM CCOC(=O)[C@H](C)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821313897 945668234 /nfs/dbraw/zinc/66/82/34/945668234.db2.gz JEYYIBBQZHTGSI-KUKWCLJQSA-N -1 3 371.401 0.736 20 50 FCGDHM CN(C)C(=O)c1ccc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)[nH]1 ZINC000821578239 945722661 /nfs/dbraw/zinc/72/26/61/945722661.db2.gz UTOUNWJNVLHKOT-UHFFFAOYSA-N -1 3 352.358 0.661 20 50 FCGDHM CN(C)C(=O)c1ccc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)[nH]1 ZINC000821578239 945722666 /nfs/dbraw/zinc/72/26/66/945722666.db2.gz UTOUNWJNVLHKOT-UHFFFAOYSA-N -1 3 352.358 0.661 20 50 FCGDHM COc1ccccc1NCC(=O)NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821903062 945901366 /nfs/dbraw/zinc/90/13/66/945901366.db2.gz AFISPRWBGCJURV-UHFFFAOYSA-N -1 3 356.346 0.077 20 50 FCGDHM COc1ccccc1NCC(=O)NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821903062 945901377 /nfs/dbraw/zinc/90/13/77/945901377.db2.gz AFISPRWBGCJURV-UHFFFAOYSA-N -1 3 356.346 0.077 20 50 FCGDHM Cc1ncc(CCNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822468230 946099341 /nfs/dbraw/zinc/09/93/41/946099341.db2.gz XRVNIOYWVHGYHT-UHFFFAOYSA-N -1 3 372.414 0.818 20 50 FCGDHM Cc1ncc(CCNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822468230 946099349 /nfs/dbraw/zinc/09/93/49/946099349.db2.gz XRVNIOYWVHGYHT-UHFFFAOYSA-N -1 3 372.414 0.818 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNc1ccccc1S(C)(=O)=O ZINC000822645538 946141918 /nfs/dbraw/zinc/14/19/18/946141918.db2.gz CFUZPNQNQGIPFF-UHFFFAOYSA-N -1 3 361.387 0.366 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNc1ccccc1S(C)(=O)=O ZINC000822645538 946141923 /nfs/dbraw/zinc/14/19/23/946141923.db2.gz CFUZPNQNQGIPFF-UHFFFAOYSA-N -1 3 361.387 0.366 20 50 FCGDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NNC(=O)Cc1ccncc1 ZINC000822978968 946243967 /nfs/dbraw/zinc/24/39/67/946243967.db2.gz UJTWABRDPMTSSW-UHFFFAOYSA-N -1 3 351.370 0.584 20 50 FCGDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1ccncc1 ZINC000822978968 946243976 /nfs/dbraw/zinc/24/39/76/946243976.db2.gz UJTWABRDPMTSSW-UHFFFAOYSA-N -1 3 351.370 0.584 20 50 FCGDHM O=C(COC(=O)c1ccsc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823026706 946278983 /nfs/dbraw/zinc/27/89/83/946278983.db2.gz BVJSZQULBIWBSD-UHFFFAOYSA-N -1 3 372.366 0.546 20 50 FCGDHM O=C(COC(=O)c1ccsc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823026706 946278994 /nfs/dbraw/zinc/27/89/94/946278994.db2.gz BVJSZQULBIWBSD-UHFFFAOYSA-N -1 3 372.366 0.546 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=Cc1cnc2cnccn12 ZINC000823036460 946285080 /nfs/dbraw/zinc/28/50/80/946285080.db2.gz CPHVXWNSCWMOCH-UHFFFAOYSA-N -1 3 363.341 0.439 20 50 FCGDHM O=C(C=C1CC(=O)NC(=S)N1)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823074816 946303710 /nfs/dbraw/zinc/30/37/10/946303710.db2.gz XIVZIOPCWZFVAA-UHFFFAOYSA-N -1 3 362.400 0.405 20 50 FCGDHM O=C(NNC(=O)[C@H]1CCc2c[nH]nc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823273053 946371714 /nfs/dbraw/zinc/37/17/14/946371714.db2.gz CORGTDLNKGVRQU-NSHDSACASA-N -1 3 352.358 0.156 20 50 FCGDHM CN(C)c1nccc(CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)n1 ZINC000825887056 947356584 /nfs/dbraw/zinc/35/65/84/947356584.db2.gz CAZZWABBQWVURY-UHFFFAOYSA-N -1 3 354.378 0.549 20 50 FCGDHM CN(C)c1nccc(CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)n1 ZINC000825887056 947356596 /nfs/dbraw/zinc/35/65/96/947356596.db2.gz CAZZWABBQWVURY-UHFFFAOYSA-N -1 3 354.378 0.549 20 50 FCGDHM COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826160209 947504111 /nfs/dbraw/zinc/50/41/11/947504111.db2.gz JBCFFPJLJUNNOG-MRVPVSSYSA-N -1 3 367.341 0.210 20 50 FCGDHM COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826160209 947504118 /nfs/dbraw/zinc/50/41/18/947504118.db2.gz JBCFFPJLJUNNOG-MRVPVSSYSA-N -1 3 367.341 0.210 20 50 FCGDHM COc1cccc(C(=O)NCC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826213968 947625594 /nfs/dbraw/zinc/62/55/94/947625594.db2.gz URNHWKPBHZRJKO-UHFFFAOYSA-N -1 3 367.369 0.748 20 50 FCGDHM COc1cccc(C(=O)NCC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826213968 947625603 /nfs/dbraw/zinc/62/56/03/947625603.db2.gz URNHWKPBHZRJKO-UHFFFAOYSA-N -1 3 367.369 0.748 20 50 FCGDHM O=C(C=Cc1ccc(O)c(O)c1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826401131 948219636 /nfs/dbraw/zinc/21/96/36/948219636.db2.gz QGMGVHXAMLAPFE-WAPJZHGLSA-N -1 3 366.337 0.752 20 50 FCGDHM O=C(C=Cc1ccc(O)c(O)c1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826401131 948219646 /nfs/dbraw/zinc/21/96/46/948219646.db2.gz QGMGVHXAMLAPFE-WAPJZHGLSA-N -1 3 366.337 0.752 20 50 FCGDHM O=C(NNC(=O)c1ccc2nsnc2c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826445347 948308416 /nfs/dbraw/zinc/30/84/16/948308416.db2.gz QETJCEFNMRPPSG-UHFFFAOYSA-N -1 3 366.366 0.946 20 50 FCGDHM O=C(NNC(=O)c1ccc2nsnc2c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826445347 948308419 /nfs/dbraw/zinc/30/84/19/948308419.db2.gz QETJCEFNMRPPSG-UHFFFAOYSA-N -1 3 366.366 0.946 20 50 FCGDHM Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)NN=c2[nH]cccc2C(=O)[O-])cn1 ZINC001574022653 961978702 /nfs/dbraw/zinc/97/87/02/961978702.db2.gz OSTHLZFRLFXQEP-TZMCWYRMSA-N -1 3 358.402 0.692 20 50 FCGDHM C[C@H](CNC(=O)NNc1ccc(CC(=O)[O-])cc1)CN1CCN(C)CC1 ZINC001592676087 979093477 /nfs/dbraw/zinc/09/34/77/979093477.db2.gz KMDBKGKUUQDNOB-CQSZACIVSA-N -1 3 363.462 0.823 20 50 FCGDHM COCCn1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1=O ZINC000826163692 607335655 /nfs/dbraw/zinc/33/56/55/607335655.db2.gz GRDMXBDBERZZCI-UHFFFAOYSA-N -1 3 355.358 0.432 20 50 FCGDHM COCCn1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1=O ZINC000826163692 607335657 /nfs/dbraw/zinc/33/56/57/607335657.db2.gz GRDMXBDBERZZCI-UHFFFAOYSA-N -1 3 355.358 0.432 20 50 FCGDHM O=C(CSc1nnnn1C1CC1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826421744 607342360 /nfs/dbraw/zinc/34/23/60/607342360.db2.gz WUXJLHLYWAJGMB-UHFFFAOYSA-N -1 3 358.391 0.424 20 50 FCGDHM C[C@H](C(=O)N(C)CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)n1cccn1 ZINC000824040714 607348875 /nfs/dbraw/zinc/34/88/75/607348875.db2.gz UOLOWGPPHDSDBX-LLVKDONJSA-N -1 3 369.389 0.226 20 50 FCGDHM CC(C)(C)C(=O)Cn1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000824064959 607353272 /nfs/dbraw/zinc/35/32/72/607353272.db2.gz QAARFUQIPCPGSZ-UHFFFAOYSA-N -1 3 369.389 0.830 20 50 FCGDHM O=C(Cn1cnnn1)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826425858 607395419 /nfs/dbraw/zinc/39/54/19/607395419.db2.gz WVNNKHHRKWTSCN-UHFFFAOYSA-N -1 3 354.256 0.015 20 50 FCGDHM O=C(Cn1cnnn1)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826425858 607395421 /nfs/dbraw/zinc/39/54/21/607395421.db2.gz WVNNKHHRKWTSCN-UHFFFAOYSA-N -1 3 354.256 0.015 20 50 FCGDHM C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824738110 607682437 /nfs/dbraw/zinc/68/24/37/607682437.db2.gz LYWAUHTWULPHOL-QMMMGPOBSA-N -1 3 359.321 0.562 20 50 FCGDHM C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824738110 607682439 /nfs/dbraw/zinc/68/24/39/607682439.db2.gz LYWAUHTWULPHOL-QMMMGPOBSA-N -1 3 359.321 0.562 20 50 FCGDHM CS(=O)(=O)C1(C(=O)NNc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000826222239 607724026 /nfs/dbraw/zinc/72/40/26/607724026.db2.gz PBRVRIVBRLZRCK-UHFFFAOYSA-N -1 3 350.404 0.667 20 50 FCGDHM CS(=O)(=O)C1(C(=O)NNc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000826222239 607724028 /nfs/dbraw/zinc/72/40/28/607724028.db2.gz PBRVRIVBRLZRCK-UHFFFAOYSA-N -1 3 350.404 0.667 20 50 FCGDHM Cn1c(=O)c2ccccc2[nH]c1=NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826356054 607739146 /nfs/dbraw/zinc/73/91/46/607739146.db2.gz YSTYDWMDZXMGDP-UHFFFAOYSA-N -1 3 351.330 0.199 20 50 FCGDHM Cn1c(=O)c2ccccc2[nH]c1=NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826356054 607739147 /nfs/dbraw/zinc/73/91/47/607739147.db2.gz YSTYDWMDZXMGDP-UHFFFAOYSA-N -1 3 351.330 0.199 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000823277871 606775875 /nfs/dbraw/zinc/77/58/75/606775875.db2.gz ZXFXEDWVWSUBNG-MGPQQGTHSA-N -1 3 371.401 0.768 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000823277871 606775877 /nfs/dbraw/zinc/77/58/77/606775877.db2.gz ZXFXEDWVWSUBNG-MGPQQGTHSA-N -1 3 371.401 0.768 20 50 FCGDHM O=C(NN=c1nc(N2CCOCC2)cc[nH]1)c1cc(-c2nnn[n-]2)cs1 ZINC000823284082 606830642 /nfs/dbraw/zinc/83/06/42/606830642.db2.gz BYXVAFQOHLMXPX-UHFFFAOYSA-N -1 3 373.402 0.312 20 50 FCGDHM O=C(NN=c1nc(N2CCOCC2)cc[nH]1)c1cc(-c2nn[n-]n2)cs1 ZINC000823284082 606830643 /nfs/dbraw/zinc/83/06/43/606830643.db2.gz BYXVAFQOHLMXPX-UHFFFAOYSA-N -1 3 373.402 0.312 20 50 FCGDHM CN(CCc1nccs1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825950134 607793340 /nfs/dbraw/zinc/79/33/40/607793340.db2.gz JQOFRJVALYBAJZ-UHFFFAOYSA-N -1 3 372.414 0.852 20 50 FCGDHM CN(CCc1nccs1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825950134 607793341 /nfs/dbraw/zinc/79/33/41/607793341.db2.gz JQOFRJVALYBAJZ-UHFFFAOYSA-N -1 3 372.414 0.852 20 50 FCGDHM C[C@H](C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000824040720 607879451 /nfs/dbraw/zinc/87/94/51/607879451.db2.gz UQXVTJSNFUTJGP-NSHDSACASA-N -1 3 374.401 0.456 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H](CCO)C2)cc(-c2nnn[n-]2)n1C ZINC000826235949 607994875 /nfs/dbraw/zinc/99/48/75/607994875.db2.gz VCSNCIWGMLLWSJ-CWZJEYLYSA-N -1 3 355.402 0.652 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H](CCO)C2)cc(-c2nn[n-]n2)n1C ZINC000826235949 607994876 /nfs/dbraw/zinc/99/48/76/607994876.db2.gz VCSNCIWGMLLWSJ-CWZJEYLYSA-N -1 3 355.402 0.652 20 50 FCGDHM C[C@]1(C#N)CCCN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824779619 608125737 /nfs/dbraw/zinc/12/57/37/608125737.db2.gz WJPKKXCQGSTMNS-QGZVFWFLSA-N -1 3 368.401 0.253 20 50 FCGDHM C[C@]1(C#N)CCCN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824779619 608125738 /nfs/dbraw/zinc/12/57/38/608125738.db2.gz WJPKKXCQGSTMNS-QGZVFWFLSA-N -1 3 368.401 0.253 20 50 FCGDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NNc1ccccc1 ZINC000826185149 608141052 /nfs/dbraw/zinc/14/10/52/608141052.db2.gz ACYHMEHTHMGFBA-UHFFFAOYSA-N -1 3 353.342 0.957 20 50 FCGDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NNc1ccccc1 ZINC000826185149 608141053 /nfs/dbraw/zinc/14/10/53/608141053.db2.gz ACYHMEHTHMGFBA-UHFFFAOYSA-N -1 3 353.342 0.957 20 50 FCGDHM CCC1(O)CCC(NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825176027 608253176 /nfs/dbraw/zinc/25/31/76/608253176.db2.gz CORVWYDINPYVMH-UHFFFAOYSA-N -1 3 373.417 0.894 20 50 FCGDHM CCC1(O)CCC(NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825176027 608253178 /nfs/dbraw/zinc/25/31/78/608253178.db2.gz CORVWYDINPYVMH-UHFFFAOYSA-N -1 3 373.417 0.894 20 50 FCGDHM C#CCCCCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823841362 608323468 /nfs/dbraw/zinc/32/34/68/608323468.db2.gz LOBJZHWYXXHMLO-UHFFFAOYSA-N -1 3 370.369 0.365 20 50 FCGDHM C#CCCCCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823841362 608323469 /nfs/dbraw/zinc/32/34/69/608323469.db2.gz LOBJZHWYXXHMLO-UHFFFAOYSA-N -1 3 370.369 0.365 20 50 FCGDHM N#CC(=Cc1cnc2ccc(-c3nnn[n-]3)cn12)C(=O)Nc1ccncc1 ZINC000826379341 608387262 /nfs/dbraw/zinc/38/72/62/608387262.db2.gz PCYKCQDYNHHJLI-GHXNOFRVSA-N -1 3 357.337 0.877 20 50 FCGDHM N#CC(=Cc1cnc2ccc(-c3nn[n-]n3)cn12)C(=O)Nc1ccncc1 ZINC000826379341 608387263 /nfs/dbraw/zinc/38/72/63/608387263.db2.gz PCYKCQDYNHHJLI-GHXNOFRVSA-N -1 3 357.337 0.877 20 50 FCGDHM CO[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826145689 608409804 /nfs/dbraw/zinc/40/98/04/608409804.db2.gz KYFGGQOMLKFWMP-QWHCGFSZSA-N -1 3 359.390 0.626 20 50 FCGDHM CO[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826145689 608409806 /nfs/dbraw/zinc/40/98/06/608409806.db2.gz KYFGGQOMLKFWMP-QWHCGFSZSA-N -1 3 359.390 0.626 20 50 FCGDHM CSCCNC(=S)NNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826229026 608764326 /nfs/dbraw/zinc/76/43/26/608764326.db2.gz LYKGWXCRTZTEHD-UHFFFAOYSA-N -1 3 351.461 0.268 20 50 FCGDHM CSCCNC(=S)NNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826229026 608764331 /nfs/dbraw/zinc/76/43/31/608764331.db2.gz LYKGWXCRTZTEHD-UHFFFAOYSA-N -1 3 351.461 0.268 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCc2ccon2)cc(-c2nnn[n-]2)n1C ZINC000826235385 608821413 /nfs/dbraw/zinc/82/14/13/608821413.db2.gz IYCCHXPXLRDCJE-GHXNOFRVSA-N -1 3 352.358 0.768 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCc2ccon2)cc(-c2nn[n-]n2)n1C ZINC000826235385 608821414 /nfs/dbraw/zinc/82/14/14/608821414.db2.gz IYCCHXPXLRDCJE-GHXNOFRVSA-N -1 3 352.358 0.768 20 50 FCGDHM CC1(C#N)CCN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824776950 609142101 /nfs/dbraw/zinc/14/21/01/609142101.db2.gz GBLBTWSNIOABLX-UHFFFAOYSA-N -1 3 368.401 0.253 20 50 FCGDHM CC1(C#N)CCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824776950 609142104 /nfs/dbraw/zinc/14/21/04/609142104.db2.gz GBLBTWSNIOABLX-UHFFFAOYSA-N -1 3 368.401 0.253 20 50 FCGDHM O=C(NNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1)NC1CCCCC1 ZINC000826444849 609184451 /nfs/dbraw/zinc/18/44/51/609184451.db2.gz XDXCMTYTMDWYHY-ZDUSSCGKSA-N -1 3 359.390 0.563 20 50 FCGDHM O=C(NNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1)NC1CCCCC1 ZINC000826444849 609184452 /nfs/dbraw/zinc/18/44/52/609184452.db2.gz XDXCMTYTMDWYHY-ZDUSSCGKSA-N -1 3 359.390 0.563 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H]([C@@H](C)O)C2)cc(-c2nnn[n-]2)n1C ZINC000826236071 609264391 /nfs/dbraw/zinc/26/43/91/609264391.db2.gz XWOOYIZUJFYIHL-JFPDNLAHSA-N -1 3 355.402 0.650 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H]([C@@H](C)O)C2)cc(-c2nn[n-]n2)n1C ZINC000826236071 609264392 /nfs/dbraw/zinc/26/43/92/609264392.db2.gz XWOOYIZUJFYIHL-JFPDNLAHSA-N -1 3 355.402 0.650 20 50 FCGDHM Cc1nnc(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)s1 ZINC000826335391 609265862 /nfs/dbraw/zinc/26/58/62/609265862.db2.gz KVIBTWLKSCQGJY-WCIBSUBMSA-N -1 3 369.414 0.897 20 50 FCGDHM Cc1nnc(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)s1 ZINC000826335391 609265864 /nfs/dbraw/zinc/26/58/64/609265864.db2.gz KVIBTWLKSCQGJY-WCIBSUBMSA-N -1 3 369.414 0.897 20 50 FCGDHM CCOCC(=O)NN=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825583300 609305538 /nfs/dbraw/zinc/30/55/38/609305538.db2.gz SWCUVPGQQKHSMH-UHFFFAOYSA-N -1 3 354.374 0.754 20 50 FCGDHM CCOCC(=O)NN=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825583300 609305540 /nfs/dbraw/zinc/30/55/40/609305540.db2.gz SWCUVPGQQKHSMH-UHFFFAOYSA-N -1 3 354.374 0.754 20 50 FCGDHM O=C(NN=Cc1cn(Cc2cccnc2)nn1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444663 609469984 /nfs/dbraw/zinc/46/99/84/609469984.db2.gz PLPIHONYVXVJKS-UHFFFAOYSA-N -1 3 374.368 0.665 20 50 FCGDHM O=C(NN=Cc1cn(Cc2cccnc2)nn1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444663 609469987 /nfs/dbraw/zinc/46/99/87/609469987.db2.gz PLPIHONYVXVJKS-UHFFFAOYSA-N -1 3 374.368 0.665 20 50 FCGDHM O=C(CS[C@@H]1CCCOC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826419586 609526588 /nfs/dbraw/zinc/52/65/88/609526588.db2.gz DRIULHYJORELFI-GFCCVEGCSA-N -1 3 362.415 0.540 20 50 FCGDHM O=C(CS[C@@H]1CCCOC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826419586 609526589 /nfs/dbraw/zinc/52/65/89/609526589.db2.gz DRIULHYJORELFI-GFCCVEGCSA-N -1 3 362.415 0.540 20 50 FCGDHM CC[C@H](C)[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825050033 609640549 /nfs/dbraw/zinc/64/05/49/609640549.db2.gz GFRHVRFAITUUKR-QWRGUYRKSA-N -1 3 374.401 0.853 20 50 FCGDHM CC[C@H](C)[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825050033 609640550 /nfs/dbraw/zinc/64/05/50/609640550.db2.gz GFRHVRFAITUUKR-QWRGUYRKSA-N -1 3 374.401 0.853 20 50 FCGDHM N#Cc1ccc([C@H](NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C(N)=O)cc1 ZINC000737711932 945115303 /nfs/dbraw/zinc/11/53/03/945115303.db2.gz NIFMKDCWOLHMEH-AWEZNQCLSA-N -1 3 362.353 0.199 20 50 FCGDHM N#Cc1ccc([C@H](NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C(N)=O)cc1 ZINC000737711932 945115309 /nfs/dbraw/zinc/11/53/09/945115309.db2.gz NIFMKDCWOLHMEH-AWEZNQCLSA-N -1 3 362.353 0.199 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)CC1CCOCC1 ZINC000737918539 945152094 /nfs/dbraw/zinc/15/20/94/945152094.db2.gz JHNWNOCYPNLGRF-UHFFFAOYSA-N -1 3 360.374 0.210 20 50 FCGDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NNC(=S)NCC1CCC1 ZINC000737925676 945155406 /nfs/dbraw/zinc/15/54/06/945155406.db2.gz XVRDODOOYQAZLM-UHFFFAOYSA-N -1 3 361.431 0.541 20 50 FCGDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NNC(=S)NCC1CCC1 ZINC000737925676 945155408 /nfs/dbraw/zinc/15/54/08/945155408.db2.gz XVRDODOOYQAZLM-UHFFFAOYSA-N -1 3 361.431 0.541 20 50 FCGDHM O=C(Cc1cccc([N+](=O)[O-])c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737969627 945168692 /nfs/dbraw/zinc/16/86/92/945168692.db2.gz PRVPJEZTGGIIPN-UHFFFAOYSA-N -1 3 367.325 0.779 20 50 FCGDHM O=C(Cc1cccc([N+](=O)[O-])c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737969627 945168697 /nfs/dbraw/zinc/16/86/97/945168697.db2.gz PRVPJEZTGGIIPN-UHFFFAOYSA-N -1 3 367.325 0.779 20 50 FCGDHM O=C(NC[C@H](O)c1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738036408 945173401 /nfs/dbraw/zinc/17/34/01/945173401.db2.gz BXAJDXPAKJXTEF-AWEZNQCLSA-N -1 3 367.369 0.544 20 50 FCGDHM O=C(NC[C@H](O)c1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738036408 945173407 /nfs/dbraw/zinc/17/34/07/945173407.db2.gz BXAJDXPAKJXTEF-AWEZNQCLSA-N -1 3 367.369 0.544 20 50 FCGDHM O=C(NCCOc1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738085382 945184445 /nfs/dbraw/zinc/18/44/45/945184445.db2.gz GZMHBOPSQZWMEW-UHFFFAOYSA-N -1 3 367.369 0.890 20 50 FCGDHM O=C(NCCOc1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738085382 945184452 /nfs/dbraw/zinc/18/44/52/945184452.db2.gz GZMHBOPSQZWMEW-UHFFFAOYSA-N -1 3 367.369 0.890 20 50 FCGDHM O=C(NNC(=S)NCCc1ccccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000738134007 945214765 /nfs/dbraw/zinc/21/47/65/945214765.db2.gz CEIPRZKXWXTKJC-UHFFFAOYSA-N -1 3 368.426 0.613 20 50 FCGDHM O=C(NNC(=S)NCCc1ccccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134007 945214773 /nfs/dbraw/zinc/21/47/73/945214773.db2.gz CEIPRZKXWXTKJC-UHFFFAOYSA-N -1 3 368.426 0.613 20 50 FCGDHM C=CCNC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000819751705 945281376 /nfs/dbraw/zinc/28/13/76/945281376.db2.gz ZLVBBQDGEZIWDL-ZTFCMROMSA-N -1 3 369.385 0.655 20 50 FCGDHM C=CCNC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000819751705 945281385 /nfs/dbraw/zinc/28/13/85/945281385.db2.gz ZLVBBQDGEZIWDL-ZTFCMROMSA-N -1 3 369.385 0.655 20 50 FCGDHM C=CCNC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000819751703 945282147 /nfs/dbraw/zinc/28/21/47/945282147.db2.gz ZLVBBQDGEZIWDL-NUBYWOLOSA-N -1 3 369.385 0.655 20 50 FCGDHM C=CCNC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000819751703 945282158 /nfs/dbraw/zinc/28/21/58/945282158.db2.gz ZLVBBQDGEZIWDL-NUBYWOLOSA-N -1 3 369.385 0.655 20 50 FCGDHM CC(C)C[C@@H]1COCCN1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735796194 944701941 /nfs/dbraw/zinc/70/19/41/944701941.db2.gz WMUMPEDICPGVMQ-CQSZACIVSA-N -1 3 373.417 0.968 20 50 FCGDHM CC(C)C[C@@H]1COCCN1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735796194 944701947 /nfs/dbraw/zinc/70/19/47/944701947.db2.gz WMUMPEDICPGVMQ-CQSZACIVSA-N -1 3 373.417 0.968 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccnc1 ZINC000736116779 944741510 /nfs/dbraw/zinc/74/15/10/944741510.db2.gz GXKBXECIFAQDMF-SNVBAGLBSA-N -1 3 352.358 0.967 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccnc1 ZINC000736116779 944741515 /nfs/dbraw/zinc/74/15/15/944741515.db2.gz GXKBXECIFAQDMF-SNVBAGLBSA-N -1 3 352.358 0.967 20 50 FCGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)Cc1ccccn1 ZINC000736170046 944753271 /nfs/dbraw/zinc/75/32/71/944753271.db2.gz QYHVHEMAAVQDPY-LLVKDONJSA-N -1 3 367.369 0.419 20 50 FCGDHM CC1(C)CC(=O)C(=CNNC(=O)c2cccc(-c3nnn[n-]3)c2)C(=O)C1 ZINC000736208577 944764001 /nfs/dbraw/zinc/76/40/01/944764001.db2.gz YTOPSKJOSUOQKP-UHFFFAOYSA-N -1 3 354.370 0.943 20 50 FCGDHM CC1(C)CC(=O)C(=CNNC(=O)c2cccc(-c3nn[n-]n3)c2)C(=O)C1 ZINC000736208577 944764006 /nfs/dbraw/zinc/76/40/06/944764006.db2.gz YTOPSKJOSUOQKP-UHFFFAOYSA-N -1 3 354.370 0.943 20 50 FCGDHM CCCCN(C)S(=O)(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736452186 944826388 /nfs/dbraw/zinc/82/63/88/944826388.db2.gz BMVQUWAGZVOCNB-UHFFFAOYSA-N -1 3 353.408 0.078 20 50 FCGDHM CCCCN(C)S(=O)(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736452186 944826393 /nfs/dbraw/zinc/82/63/93/944826393.db2.gz BMVQUWAGZVOCNB-UHFFFAOYSA-N -1 3 353.408 0.078 20 50 FCGDHM CCCOC(=O)CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736487709 944832507 /nfs/dbraw/zinc/83/25/07/944832507.db2.gz HNSAWRTXOBKTGD-UHFFFAOYSA-N -1 3 361.362 0.154 20 50 FCGDHM CCCOC(=O)CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736487709 944832516 /nfs/dbraw/zinc/83/25/16/944832516.db2.gz HNSAWRTXOBKTGD-UHFFFAOYSA-N -1 3 361.362 0.154 20 50 FCGDHM CCOC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736587012 944848310 /nfs/dbraw/zinc/84/83/10/944848310.db2.gz SKDMSSJIFVVHCE-PQTFEYQYSA-N -1 3 358.358 0.915 20 50 FCGDHM CCOC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736587012 944848320 /nfs/dbraw/zinc/84/83/20/944848320.db2.gz SKDMSSJIFVVHCE-PQTFEYQYSA-N -1 3 358.358 0.915 20 50 FCGDHM CCS(=O)(=O)C[C@H](C)NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000736657520 944863479 /nfs/dbraw/zinc/86/34/79/944863479.db2.gz SHLCRTMTIGIKKO-VIFPVBQESA-N -1 3 353.408 0.316 20 50 FCGDHM CCS(=O)(=O)C[C@H](C)NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000736657520 944863477 /nfs/dbraw/zinc/86/34/77/944863477.db2.gz SHLCRTMTIGIKKO-VIFPVBQESA-N -1 3 353.408 0.316 20 50 FCGDHM CCn1nc(C)c(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000736729675 944878996 /nfs/dbraw/zinc/87/89/96/944878996.db2.gz ZMGPQXWMWUMGMT-UHFFFAOYSA-N -1 3 354.374 0.775 20 50 FCGDHM CCn1cnnc1SCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736723236 944879781 /nfs/dbraw/zinc/87/97/81/944879781.db2.gz TXNDDPHRWTUCTN-UHFFFAOYSA-N -1 3 373.402 0.031 20 50 FCGDHM CCn1cnnc1SCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736723236 944879788 /nfs/dbraw/zinc/87/97/88/944879788.db2.gz TXNDDPHRWTUCTN-UHFFFAOYSA-N -1 3 373.402 0.031 20 50 FCGDHM CN(C)[C@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736753400 944882807 /nfs/dbraw/zinc/88/28/07/944882807.db2.gz JMTLKFMZMURKQA-HNNXBMFYSA-N -1 3 365.397 0.931 20 50 FCGDHM CN(C)[C@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736753400 944882811 /nfs/dbraw/zinc/88/28/11/944882811.db2.gz JMTLKFMZMURKQA-HNNXBMFYSA-N -1 3 365.397 0.931 20 50 FCGDHM CN(C)c1cc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)ccn1 ZINC000736770240 944886710 /nfs/dbraw/zinc/88/67/10/944886710.db2.gz HCJPHMMZOFNHDW-UHFFFAOYSA-N -1 3 352.358 0.403 20 50 FCGDHM CN(C)c1cc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)ccn1 ZINC000736770240 944886717 /nfs/dbraw/zinc/88/67/17/944886717.db2.gz HCJPHMMZOFNHDW-UHFFFAOYSA-N -1 3 352.358 0.403 20 50 FCGDHM CN(C[C@@H]1CCCOC1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736792895 944891431 /nfs/dbraw/zinc/89/14/31/944891431.db2.gz UENVQDYHAYXIIT-NSHDSACASA-N -1 3 359.390 0.580 20 50 FCGDHM CN(C[C@@H]1CCCOC1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736792895 944891441 /nfs/dbraw/zinc/89/14/41/944891441.db2.gz UENVQDYHAYXIIT-NSHDSACASA-N -1 3 359.390 0.580 20 50 FCGDHM CNC(=O)CCCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736870421 944902914 /nfs/dbraw/zinc/90/29/14/944902914.db2.gz HMTLTCSWZFJRPF-KPKJPENVSA-N -1 3 356.390 0.063 20 50 FCGDHM CNC(=O)CCCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736870421 944902921 /nfs/dbraw/zinc/90/29/21/944902921.db2.gz HMTLTCSWZFJRPF-KPKJPENVSA-N -1 3 356.390 0.063 20 50 FCGDHM COC(=O)CCCCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736911208 944909509 /nfs/dbraw/zinc/90/95/09/944909509.db2.gz JHRPEYNFPSWMRC-UHFFFAOYSA-N -1 3 361.362 0.154 20 50 FCGDHM COC(=O)CCCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736911208 944909518 /nfs/dbraw/zinc/90/95/18/944909518.db2.gz JHRPEYNFPSWMRC-UHFFFAOYSA-N -1 3 361.362 0.154 20 50 FCGDHM CO[C@H](C)CCNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736957250 944919265 /nfs/dbraw/zinc/91/92/65/944919265.db2.gz GRAVLQUCBDTIGW-SNVBAGLBSA-N -1 3 363.378 0.001 20 50 FCGDHM CO[C@H](C)CCNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736957250 944919270 /nfs/dbraw/zinc/91/92/70/944919270.db2.gz GRAVLQUCBDTIGW-SNVBAGLBSA-N -1 3 363.378 0.001 20 50 FCGDHM COCCOC[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000737005675 944931077 /nfs/dbraw/zinc/93/10/77/944931077.db2.gz IWQBJDYFADSTOJ-DKTFCQPKSA-N -1 3 373.417 0.588 20 50 FCGDHM COCCOC[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000737005675 944931083 /nfs/dbraw/zinc/93/10/83/944931083.db2.gz IWQBJDYFADSTOJ-DKTFCQPKSA-N -1 3 373.417 0.588 20 50 FCGDHM COc1c(C=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c(C)nn1C ZINC000737024946 944935523 /nfs/dbraw/zinc/93/55/23/944935523.db2.gz JAQZVXWRIKUTNQ-UHFFFAOYSA-N -1 3 370.373 0.446 20 50 FCGDHM CSCCCC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737184578 944978845 /nfs/dbraw/zinc/97/88/45/944978845.db2.gz ZYNZVSVZLLATTA-UHFFFAOYSA-N -1 3 350.404 0.536 20 50 FCGDHM CSCCCNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737181294 944978969 /nfs/dbraw/zinc/97/89/69/944978969.db2.gz IXROCJSUBRIPGZ-UHFFFAOYSA-N -1 3 365.419 0.329 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@]2(C)CCOC2)cc(-c2nnn[n-]2)n1C ZINC000737211812 944988459 /nfs/dbraw/zinc/98/84/59/944988459.db2.gz GALSFRAOMWXFGG-LBWZGELYSA-N -1 3 355.402 0.963 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@]2(C)CCOC2)cc(-c2nn[n-]n2)n1C ZINC000737211812 944988468 /nfs/dbraw/zinc/98/84/68/944988468.db2.gz GALSFRAOMWXFGG-LBWZGELYSA-N -1 3 355.402 0.963 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC(=O)OC(C)C)cc(-c2nnn[n-]2)n1C ZINC000737213464 945004008 /nfs/dbraw/zinc/00/40/08/945004008.db2.gz TXTHGCPRGMLLBA-LFYBBSHMSA-N -1 3 357.374 0.488 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC(=O)OC(C)C)cc(-c2nn[n-]n2)n1C ZINC000737213464 945004016 /nfs/dbraw/zinc/00/40/16/945004016.db2.gz TXTHGCPRGMLLBA-LFYBBSHMSA-N -1 3 357.374 0.488 20 50 FCGDHM Cc1cc(C)c(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(=O)[nH]1 ZINC000737239857 945017466 /nfs/dbraw/zinc/01/74/66/945017466.db2.gz GTJOHBPJBCWBIQ-UHFFFAOYSA-N -1 3 353.342 0.659 20 50 FCGDHM Cc1cc(C)c(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(=O)[nH]1 ZINC000737239857 945017475 /nfs/dbraw/zinc/01/74/75/945017475.db2.gz GTJOHBPJBCWBIQ-UHFFFAOYSA-N -1 3 353.342 0.659 20 50 FCGDHM Cc1ccc(NNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)nn1 ZINC000737361455 945047391 /nfs/dbraw/zinc/04/73/91/945047391.db2.gz HHMKXLFEYYADDZ-UHFFFAOYSA-N -1 3 355.366 0.098 20 50 FCGDHM Cc1ccc(NNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)nn1 ZINC000737361455 945047403 /nfs/dbraw/zinc/04/74/03/945047403.db2.gz HHMKXLFEYYADDZ-UHFFFAOYSA-N -1 3 355.366 0.098 20 50 FCGDHM Cc1ccc(NNC([O-])=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)[nH+]c1 ZINC000737362518 945049912 /nfs/dbraw/zinc/04/99/12/945049912.db2.gz SGIQBNZGBVVLIA-UHFFFAOYSA-N -1 3 353.346 0.541 20 50 FCGDHM Cc1ccccc1C(=O)NN[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737415156 945062651 /nfs/dbraw/zinc/06/26/51/945062651.db2.gz KQAHDFLOXIQGMW-CQSZACIVSA-N -1 3 351.370 0.636 20 50 FCGDHM Cc1ccccc1C(=O)NN[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737415156 945062659 /nfs/dbraw/zinc/06/26/59/945062659.db2.gz KQAHDFLOXIQGMW-CQSZACIVSA-N -1 3 351.370 0.636 20 50 FCGDHM C[C@@H](CCO)SCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820248448 945395594 /nfs/dbraw/zinc/39/55/94/945395594.db2.gz HTRCBVVSWMJCCS-VIFPVBQESA-N -1 3 350.404 0.132 20 50 FCGDHM C[C@@H](CCO)SCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820248448 945395602 /nfs/dbraw/zinc/39/56/02/945395602.db2.gz HTRCBVVSWMJCCS-VIFPVBQESA-N -1 3 350.404 0.132 20 50 FCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)Cc1ccncc1 ZINC000820525188 945474596 /nfs/dbraw/zinc/47/45/96/945474596.db2.gz DXQNTVSSKMVJOX-NSHDSACASA-N -1 3 367.369 0.419 20 50 FCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@@H]1CCCS1 ZINC000820529224 945477228 /nfs/dbraw/zinc/47/72/28/945477228.db2.gz PUWXOBXMSDPXFK-CABZTGNLSA-N -1 3 362.415 0.677 20 50 FCGDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNC(=O)Cc1ccncc1 ZINC000820542995 945481962 /nfs/dbraw/zinc/48/19/62/945481962.db2.gz SNHTYVKGQORGLA-LLVKDONJSA-N -1 3 367.369 0.419 20 50 FCGDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNC(=O)Cc1ccncc1 ZINC000820542995 945481966 /nfs/dbraw/zinc/48/19/66/945481966.db2.gz SNHTYVKGQORGLA-LLVKDONJSA-N -1 3 367.369 0.419 20 50 FCGDHM CCC(CC)CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820893534 945584411 /nfs/dbraw/zinc/58/44/11/945584411.db2.gz QGUYWOUOUNGDCP-UHFFFAOYSA-N -1 3 374.401 0.997 20 50 FCGDHM CCC(CC)CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820893534 945584416 /nfs/dbraw/zinc/58/44/16/945584416.db2.gz QGUYWOUOUNGDCP-UHFFFAOYSA-N -1 3 374.401 0.997 20 50 FCGDHM CC/C=C(\C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821000918 945609057 /nfs/dbraw/zinc/60/90/57/945609057.db2.gz LZASMSACUFCKHW-BJMVGYQFSA-N -1 3 358.358 0.527 20 50 FCGDHM CC/C=C(\C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821000918 945609062 /nfs/dbraw/zinc/60/90/62/945609062.db2.gz LZASMSACUFCKHW-BJMVGYQFSA-N -1 3 358.358 0.527 20 50 FCGDHM CCCCCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821043916 945623001 /nfs/dbraw/zinc/62/30/01/945623001.db2.gz VOGUADWJLPCVJF-UHFFFAOYSA-N -1 3 360.374 0.751 20 50 FCGDHM CCCCCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821043916 945623002 /nfs/dbraw/zinc/62/30/02/945623002.db2.gz VOGUADWJLPCVJF-UHFFFAOYSA-N -1 3 360.374 0.751 20 50 FCGDHM CN(Cc1cccn1C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821615904 945746766 /nfs/dbraw/zinc/74/67/66/945746766.db2.gz UGRRPNIRMRFILF-UHFFFAOYSA-N -1 3 354.374 0.692 20 50 FCGDHM CN(Cc1cccn1C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821615904 945746774 /nfs/dbraw/zinc/74/67/74/945746774.db2.gz UGRRPNIRMRFILF-UHFFFAOYSA-N -1 3 354.374 0.692 20 50 FCGDHM CO[C@@H](CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000821677506 945796482 /nfs/dbraw/zinc/79/64/82/945796482.db2.gz YNNFLTUQLJDPRZ-LBPRGKRZSA-N -1 3 361.406 0.872 20 50 FCGDHM CO[C@@H](CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000821677506 945796498 /nfs/dbraw/zinc/79/64/98/945796498.db2.gz YNNFLTUQLJDPRZ-LBPRGKRZSA-N -1 3 361.406 0.872 20 50 FCGDHM COCCn1cc(C=NNC(=O)COc2ccccc2-c2nnn[n-]2)cn1 ZINC000821695245 945827075 /nfs/dbraw/zinc/82/70/75/945827075.db2.gz PDKWYPZXBDLOQN-UHFFFAOYSA-N -1 3 370.373 0.239 20 50 FCGDHM COCCn1cc(C=NNC(=O)COc2ccccc2-c2nn[n-]n2)cn1 ZINC000821695245 945827096 /nfs/dbraw/zinc/82/70/96/945827096.db2.gz PDKWYPZXBDLOQN-UHFFFAOYSA-N -1 3 370.373 0.239 20 50 FCGDHM COc1ccc(C(=O)NNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c(OC)c1 ZINC000821772683 945858183 /nfs/dbraw/zinc/85/81/83/945858183.db2.gz LKFFEVNMTOMURC-UHFFFAOYSA-N -1 3 357.330 0.287 20 50 FCGDHM COc1ccc(C(=O)NNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c(OC)c1 ZINC000821772683 945858199 /nfs/dbraw/zinc/85/81/99/945858199.db2.gz LKFFEVNMTOMURC-UHFFFAOYSA-N -1 3 357.330 0.287 20 50 FCGDHM COc1ccc(CCC(=O)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000821790129 945866833 /nfs/dbraw/zinc/86/68/33/945866833.db2.gz IJNXUWNKRSIOCI-UHFFFAOYSA-N -1 3 369.385 0.608 20 50 FCGDHM COc1ccc(CCC(=O)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000821790129 945866850 /nfs/dbraw/zinc/86/68/50/945866850.db2.gz IJNXUWNKRSIOCI-UHFFFAOYSA-N -1 3 369.385 0.608 20 50 FCGDHM COc1ccccc1NCC(=O)NNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821904770 945904337 /nfs/dbraw/zinc/90/43/37/945904337.db2.gz ZUOOHUSEZAWSQK-UHFFFAOYSA-N -1 3 370.373 0.087 20 50 FCGDHM COc1ccccc1NCC(=O)NNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821904770 945904346 /nfs/dbraw/zinc/90/43/46/945904346.db2.gz ZUOOHUSEZAWSQK-UHFFFAOYSA-N -1 3 370.373 0.087 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCN(CC#N)CC2)cc(-c2nnn[n-]2)n1C ZINC000822029120 945952075 /nfs/dbraw/zinc/95/20/75/945952075.db2.gz VUAOBONYROXRKK-ZROIWOOFSA-N -1 3 365.401 0.088 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCN(CC#N)CC2)cc(-c2nn[n-]n2)n1C ZINC000822029120 945952082 /nfs/dbraw/zinc/95/20/82/945952082.db2.gz VUAOBONYROXRKK-ZROIWOOFSA-N -1 3 365.401 0.088 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@](C)(O)C(C)C)cc(-c2nnn[n-]2)n1C ZINC000822029425 945953729 /nfs/dbraw/zinc/95/37/29/945953729.db2.gz YOOOTPHCHMYVQH-JIOITTSWSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@](C)(O)C(C)C)cc(-c2nn[n-]n2)n1C ZINC000822029425 945953737 /nfs/dbraw/zinc/95/37/37/945953737.db2.gz YOOOTPHCHMYVQH-JIOITTSWSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC2(O)CCOCC2)cc(-c2nnn[n-]2)n1C ZINC000822029409 945954530 /nfs/dbraw/zinc/95/45/30/945954530.db2.gz XZUPEQBOUSPUOF-QPEQYQDCSA-N -1 3 371.401 0.078 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC2(O)CCOCC2)cc(-c2nn[n-]n2)n1C ZINC000822029409 945954540 /nfs/dbraw/zinc/95/45/40/945954540.db2.gz XZUPEQBOUSPUOF-QPEQYQDCSA-N -1 3 371.401 0.078 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCCN(C)C2=O)cc(-c2nnn[n-]2)n1C ZINC000822029406 945956043 /nfs/dbraw/zinc/95/60/43/945956043.db2.gz XXURZIFXRNUYEP-WHGQRRHOSA-N -1 3 368.401 0.158 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCCN(C)C2=O)cc(-c2nn[n-]n2)n1C ZINC000822029406 945956051 /nfs/dbraw/zinc/95/60/51/945956051.db2.gz XXURZIFXRNUYEP-WHGQRRHOSA-N -1 3 368.401 0.158 20 50 FCGDHM Cc1ccc(NCC(=O)NNC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822254439 946032453 /nfs/dbraw/zinc/03/24/53/946032453.db2.gz JTCAHEJJSCWPCN-UHFFFAOYSA-N -1 3 365.397 0.977 20 50 FCGDHM Cc1ccc(NCC(=O)NNC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822254439 946032468 /nfs/dbraw/zinc/03/24/68/946032468.db2.gz JTCAHEJJSCWPCN-UHFFFAOYSA-N -1 3 365.397 0.977 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)Cn1ccc2ccccc21 ZINC000822645573 946142177 /nfs/dbraw/zinc/14/21/77/946142177.db2.gz FMBQTCVHSOZUSH-UHFFFAOYSA-N -1 3 364.369 0.621 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)Cn1ccc2ccccc21 ZINC000822645573 946142184 /nfs/dbraw/zinc/14/21/84/946142184.db2.gz FMBQTCVHSOZUSH-UHFFFAOYSA-N -1 3 364.369 0.621 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)Cc1ccc(Cl)cc1 ZINC000822645652 946145640 /nfs/dbraw/zinc/14/56/40/946145640.db2.gz JBHTWVYYUVLJAH-UHFFFAOYSA-N -1 3 359.777 0.862 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)Cc1ccc(Cl)cc1 ZINC000822645652 946145646 /nfs/dbraw/zinc/14/56/46/946145646.db2.gz JBHTWVYYUVLJAH-UHFFFAOYSA-N -1 3 359.777 0.862 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)COCc1ccccc1 ZINC000822645940 946147014 /nfs/dbraw/zinc/14/70/14/946147014.db2.gz XTAVTIUCLPJIJU-UHFFFAOYSA-N -1 3 355.358 0.183 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)COCc1ccccc1 ZINC000822645940 946147019 /nfs/dbraw/zinc/14/70/19/946147019.db2.gz XTAVTIUCLPJIJU-UHFFFAOYSA-N -1 3 355.358 0.183 20 50 FCGDHM O=C(CCCOc1cccnc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822958730 946232923 /nfs/dbraw/zinc/23/29/23/946232923.db2.gz DQDBWBJQUCZHRO-UHFFFAOYSA-N -1 3 367.369 0.882 20 50 FCGDHM O=C(CCCOc1cccnc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822958730 946232935 /nfs/dbraw/zinc/23/29/35/946232935.db2.gz DQDBWBJQUCZHRO-UHFFFAOYSA-N -1 3 367.369 0.882 20 50 FCGDHM O=C(CCc1ccoc1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822983724 946246821 /nfs/dbraw/zinc/24/68/21/946246821.db2.gz SRTFQINDMCXQKS-UHFFFAOYSA-N -1 3 356.342 0.619 20 50 FCGDHM O=C(CN1CCCC1=O)NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000822997296 946256173 /nfs/dbraw/zinc/25/61/73/946256173.db2.gz ONVAZZGZBGUHKO-UHFFFAOYSA-N -1 3 352.358 0.421 20 50 FCGDHM O=C(CN1CCCC1=O)NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000822997296 946256183 /nfs/dbraw/zinc/25/61/83/946256183.db2.gz ONVAZZGZBGUHKO-UHFFFAOYSA-N -1 3 352.358 0.421 20 50 FCGDHM O=C(COC(=O)c1ccoc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823027528 946281223 /nfs/dbraw/zinc/28/12/23/946281223.db2.gz WCRTWOLZJMTRQM-UHFFFAOYSA-N -1 3 356.298 0.078 20 50 FCGDHM O=C(COC(=O)c1ccoc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823027528 946281240 /nfs/dbraw/zinc/28/12/40/946281240.db2.gz WCRTWOLZJMTRQM-UHFFFAOYSA-N -1 3 356.298 0.078 20 50 FCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=S)Nc1ccccn1 ZINC000823049489 946293811 /nfs/dbraw/zinc/29/38/11/946293811.db2.gz DXCBRDJCSWELOI-UHFFFAOYSA-N -1 3 370.398 0.658 20 50 FCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=S)Nc1ccccn1 ZINC000823049489 946293818 /nfs/dbraw/zinc/29/38/18/946293818.db2.gz DXCBRDJCSWELOI-UHFFFAOYSA-N -1 3 370.398 0.658 20 50 FCGDHM O=C(Cc1csc2nccn12)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823118596 946321350 /nfs/dbraw/zinc/32/13/50/946321350.db2.gz HPZDZIJCAMTXPG-UHFFFAOYSA-N -1 3 368.382 0.580 20 50 FCGDHM O=C(Cc1csc2nccn12)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823118596 946321361 /nfs/dbraw/zinc/32/13/61/946321361.db2.gz HPZDZIJCAMTXPG-UHFFFAOYSA-N -1 3 368.382 0.580 20 50 FCGDHM O=C(NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12)[C@H]1CCS(=O)(=O)C1 ZINC000823269523 946367229 /nfs/dbraw/zinc/36/72/29/946367229.db2.gz IHOYZRITMUFDPT-JTQLQIEISA-N -1 3 373.398 0.233 20 50 FCGDHM O=C(NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12)[C@H]1CCS(=O)(=O)C1 ZINC000823269523 946367242 /nfs/dbraw/zinc/36/72/42/946367242.db2.gz IHOYZRITMUFDPT-JTQLQIEISA-N -1 3 373.398 0.233 20 50 FCGDHM O=C(NNC(=O)[C@@H]1CCc2c[nH]nc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823272932 946368243 /nfs/dbraw/zinc/36/82/43/946368243.db2.gz AAFIYDNNYFEXAF-LLVKDONJSA-N -1 3 352.358 0.156 20 50 FCGDHM CC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823994752 946535278 /nfs/dbraw/zinc/53/52/78/946535278.db2.gz OVJCGNYREZTAHR-ZDUSSCGKSA-N -1 3 359.390 0.179 20 50 FCGDHM CC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823994752 946535286 /nfs/dbraw/zinc/53/52/86/946535286.db2.gz OVJCGNYREZTAHR-ZDUSSCGKSA-N -1 3 359.390 0.179 20 50 FCGDHM CC[C@@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCO1 ZINC000825134643 947091886 /nfs/dbraw/zinc/09/18/86/947091886.db2.gz VZBVLKQFDVJRGH-CHWSQXEVSA-N -1 3 359.390 0.768 20 50 FCGDHM CC[C@@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCO1 ZINC000825134643 947091900 /nfs/dbraw/zinc/09/19/00/947091900.db2.gz VZBVLKQFDVJRGH-CHWSQXEVSA-N -1 3 359.390 0.768 20 50 FCGDHM CC[C@@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCO1 ZINC000825134644 947092425 /nfs/dbraw/zinc/09/24/25/947092425.db2.gz VZBVLKQFDVJRGH-OLZOCXBDSA-N -1 3 359.390 0.768 20 50 FCGDHM CC[C@@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCO1 ZINC000825134644 947092435 /nfs/dbraw/zinc/09/24/35/947092435.db2.gz VZBVLKQFDVJRGH-OLZOCXBDSA-N -1 3 359.390 0.768 20 50 FCGDHM CC[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC000825134652 947093952 /nfs/dbraw/zinc/09/39/52/947093952.db2.gz WCSWXIXCILWMBE-STQMWFEESA-N -1 3 359.390 0.768 20 50 FCGDHM CC[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC000825134652 947093963 /nfs/dbraw/zinc/09/39/63/947093963.db2.gz WCSWXIXCILWMBE-STQMWFEESA-N -1 3 359.390 0.768 20 50 FCGDHM CS(=O)(=O)c1cccc(NNC(=O)c2ccc(-c3nnn[n-]3)cn2)c1 ZINC000826224094 947663089 /nfs/dbraw/zinc/66/30/89/947663089.db2.gz NZMVYWUISRJVJT-UHFFFAOYSA-N -1 3 359.371 0.422 20 50 FCGDHM CS(=O)(=O)c1cccc(NNC(=O)c2ccc(-c3nn[n-]n3)cn2)c1 ZINC000826224094 947663100 /nfs/dbraw/zinc/66/31/00/947663100.db2.gz NZMVYWUISRJVJT-UHFFFAOYSA-N -1 3 359.371 0.422 20 50 FCGDHM CN(C)CCN1C[C@@H](C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CC1=O ZINC001598230976 990936847 /nfs/dbraw/zinc/93/68/47/990936847.db2.gz KSZOMJYKHMUBAR-JTQLQIEISA-N -1 3 368.821 0.891 20 50 FCGDHM CNS(=O)(=O)c1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826089904 607335718 /nfs/dbraw/zinc/33/57/18/607335718.db2.gz AALZXJUPSYBGQL-UHFFFAOYSA-N -1 3 373.398 0.532 20 50 FCGDHM CNS(=O)(=O)c1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826089904 607335720 /nfs/dbraw/zinc/33/57/20/607335720.db2.gz AALZXJUPSYBGQL-UHFFFAOYSA-N -1 3 373.398 0.532 20 50 FCGDHM Cc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1S(N)(=O)=O ZINC000826281644 607335724 /nfs/dbraw/zinc/33/57/24/607335724.db2.gz CUUBHRAPNVNHPN-UHFFFAOYSA-N -1 3 373.398 0.579 20 50 FCGDHM Cc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1S(N)(=O)=O ZINC000826281644 607335725 /nfs/dbraw/zinc/33/57/25/607335725.db2.gz CUUBHRAPNVNHPN-UHFFFAOYSA-N -1 3 373.398 0.579 20 50 FCGDHM O=C(CNC(=O)OCC(F)(F)F)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826411951 607336381 /nfs/dbraw/zinc/33/63/81/607336381.db2.gz UZTDYYZFOSWARH-UHFFFAOYSA-N -1 3 359.268 0.598 20 50 FCGDHM O=C(CNC(=O)OCC(F)(F)F)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826411951 607336382 /nfs/dbraw/zinc/33/63/82/607336382.db2.gz UZTDYYZFOSWARH-UHFFFAOYSA-N -1 3 359.268 0.598 20 50 FCGDHM C[C@H](Sc1nnnn1C1CC1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824762524 607342926 /nfs/dbraw/zinc/34/29/26/607342926.db2.gz GYKCXEWQDMGBBB-QMMMGPOBSA-N -1 3 372.418 0.812 20 50 FCGDHM NC(=O)N[C@H](Cc1ccccc1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826392171 607344664 /nfs/dbraw/zinc/34/46/64/607344664.db2.gz PMMKPPFGTPRRGW-CQSZACIVSA-N -1 3 366.385 0.589 20 50 FCGDHM CS(=O)(=O)c1ccc(NNC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826223803 607357833 /nfs/dbraw/zinc/35/78/33/607357833.db2.gz AQUIXANQTKPSJE-UHFFFAOYSA-N -1 3 359.371 0.422 20 50 FCGDHM CS(=O)(=O)c1ccc(NNC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826223803 607357834 /nfs/dbraw/zinc/35/78/34/607357834.db2.gz AQUIXANQTKPSJE-UHFFFAOYSA-N -1 3 359.371 0.422 20 50 FCGDHM NC(=O)C1(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCC1 ZINC000826389267 607396381 /nfs/dbraw/zinc/39/63/81/607396381.db2.gz UBNNELZVVSOMJS-UHFFFAOYSA-N -1 3 369.307 0.984 20 50 FCGDHM NC(=O)C1(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCC1 ZINC000826389267 607396382 /nfs/dbraw/zinc/39/63/82/607396382.db2.gz UBNNELZVVSOMJS-UHFFFAOYSA-N -1 3 369.307 0.984 20 50 FCGDHM N#Cc1ccc(NNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826385573 607465372 /nfs/dbraw/zinc/46/53/72/607465372.db2.gz RVKASKKIRMUNNI-UHFFFAOYSA-N -1 3 362.353 0.611 20 50 FCGDHM N#Cc1ccc(NNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826385573 607465373 /nfs/dbraw/zinc/46/53/73/607465373.db2.gz RVKASKKIRMUNNI-UHFFFAOYSA-N -1 3 362.353 0.611 20 50 FCGDHM COC[C@](C)(CC(=O)[O-])NCC(=O)NNC(=O)c1cccc(Cl)c1 ZINC000831573989 601487559 /nfs/dbraw/zinc/48/75/59/601487559.db2.gz ZZYBRGGCFIZHSR-HNNXBMFYSA-N -1 3 357.794 0.570 20 50 FCGDHM COC[C@@](C)(CC(=O)[O-])NCC(=O)NNC(=O)c1cccc(Cl)c1 ZINC000831573990 601487787 /nfs/dbraw/zinc/48/77/87/601487787.db2.gz ZZYBRGGCFIZHSR-OAHLLOKOSA-N -1 3 357.794 0.570 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC(C)(C)CCO)cc(-c2nnn[n-]2)n1C ZINC000826235171 607512413 /nfs/dbraw/zinc/51/24/13/607512413.db2.gz DOGLAWFWQKFIEA-NTUHNPAUSA-N -1 3 357.418 0.945 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC(C)(C)CCO)cc(-c2nn[n-]n2)n1C ZINC000826235171 607512414 /nfs/dbraw/zinc/51/24/14/607512414.db2.gz DOGLAWFWQKFIEA-NTUHNPAUSA-N -1 3 357.418 0.945 20 50 FCGDHM O=C(NNC(=O)N1CC[C@@H]([C@@H]2CCOC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444630 607538140 /nfs/dbraw/zinc/53/81/40/607538140.db2.gz NXCSPZCJKHPEQM-ZIAGYGMSSA-N -1 3 371.401 0.580 20 50 FCGDHM O=C(NNC(=O)N1CC[C@@H]([C@@H]2CCOC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444630 607538142 /nfs/dbraw/zinc/53/81/42/607538142.db2.gz NXCSPZCJKHPEQM-ZIAGYGMSSA-N -1 3 371.401 0.580 20 50 FCGDHM O=C(NNC(=O)N1CC[C@@H]([C@@H]2CCOC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444758 607538339 /nfs/dbraw/zinc/53/83/39/607538339.db2.gz SOQYPOFHZFLHAP-ZIAGYGMSSA-N -1 3 371.401 0.580 20 50 FCGDHM O=C(NNC(=O)N1CC[C@@H]([C@@H]2CCOC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444758 607538340 /nfs/dbraw/zinc/53/83/40/607538340.db2.gz SOQYPOFHZFLHAP-ZIAGYGMSSA-N -1 3 371.401 0.580 20 50 FCGDHM O=C(NNC(=O)[C@H]1CCn2cncc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444372 607571220 /nfs/dbraw/zinc/57/12/20/607571220.db2.gz COJJGZXHHCZTQD-LBPRGKRZSA-N -1 3 352.358 0.087 20 50 FCGDHM O=C(NNC(=O)[C@H]1CCn2cncc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444372 607571222 /nfs/dbraw/zinc/57/12/22/607571222.db2.gz COJJGZXHHCZTQD-LBPRGKRZSA-N -1 3 352.358 0.087 20 50 FCGDHM CC1=C(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000824851929 607614676 /nfs/dbraw/zinc/61/46/76/607614676.db2.gz DTHJQOXRAMPZGO-UHFFFAOYSA-N -1 3 370.369 0.671 20 50 FCGDHM CC1=C(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000824851929 607614678 /nfs/dbraw/zinc/61/46/78/607614678.db2.gz DTHJQOXRAMPZGO-UHFFFAOYSA-N -1 3 370.369 0.671 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCc2ccnn2C)cc(-c2nnn[n-]2)n1C ZINC000826235318 607618352 /nfs/dbraw/zinc/61/83/52/607618352.db2.gz HJANWXWETPHMSM-SDQBBNPISA-N -1 3 352.358 0.898 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCc2ccnn2C)cc(-c2nn[n-]n2)n1C ZINC000826235318 607618355 /nfs/dbraw/zinc/61/83/55/607618355.db2.gz HJANWXWETPHMSM-SDQBBNPISA-N -1 3 352.358 0.898 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc(N2CCOCC2)nc1 ZINC000826448727 607716326 /nfs/dbraw/zinc/71/63/26/607716326.db2.gz IOGIBRJPEBWYRV-UHFFFAOYSA-N -1 3 366.385 0.855 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc(N2CCOCC2)nc1 ZINC000826448727 607716327 /nfs/dbraw/zinc/71/63/27/607716327.db2.gz IOGIBRJPEBWYRV-UHFFFAOYSA-N -1 3 366.385 0.855 20 50 FCGDHM C[C@@H](Sc1nnnn1C1CC1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824762490 607716909 /nfs/dbraw/zinc/71/69/09/607716909.db2.gz GSFUMPUERDYHKS-MRVPVSSYSA-N -1 3 372.418 0.812 20 50 FCGDHM C[C@@H](Sc1nnnn1C1CC1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824762490 607716911 /nfs/dbraw/zinc/71/69/11/607716911.db2.gz GSFUMPUERDYHKS-MRVPVSSYSA-N -1 3 372.418 0.812 20 50 FCGDHM NC(=O)c1cccc(OCCC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826393641 607730050 /nfs/dbraw/zinc/73/00/50/607730050.db2.gz BSIKZFTXYBQVKM-UHFFFAOYSA-N -1 3 367.369 0.878 20 50 FCGDHM NC(=O)c1cccc(OCCC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826393641 607730052 /nfs/dbraw/zinc/73/00/52/607730052.db2.gz BSIKZFTXYBQVKM-UHFFFAOYSA-N -1 3 367.369 0.878 20 50 FCGDHM C[C@@]12CCC(=O)N1[C@H](C(=O)NNc1cccc(-c3nnn[n-]3)c1)CS2 ZINC000824851939 607731252 /nfs/dbraw/zinc/73/12/52/607731252.db2.gz FGAADGLPNZEZCU-XHDPSFHLSA-N -1 3 359.415 0.764 20 50 FCGDHM C[C@@]12CCC(=O)N1[C@H](C(=O)NNc1cccc(-c3nn[n-]n3)c1)CS2 ZINC000824851939 607731254 /nfs/dbraw/zinc/73/12/54/607731254.db2.gz FGAADGLPNZEZCU-XHDPSFHLSA-N -1 3 359.415 0.764 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000823277840 606751389 /nfs/dbraw/zinc/75/13/89/606751389.db2.gz YFKSZDZRHVTJLV-MGPQQGTHSA-N -1 3 371.401 0.768 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000823277840 606751391 /nfs/dbraw/zinc/75/13/91/606751391.db2.gz YFKSZDZRHVTJLV-MGPQQGTHSA-N -1 3 371.401 0.768 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000823277869 606775853 /nfs/dbraw/zinc/77/58/53/606775853.db2.gz ZXFXEDWVWSUBNG-MCIONIFRSA-N -1 3 371.401 0.768 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000823277869 606775855 /nfs/dbraw/zinc/77/58/55/606775855.db2.gz ZXFXEDWVWSUBNG-MCIONIFRSA-N -1 3 371.401 0.768 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCc2c[nH]nc2C1 ZINC000823277844 606988228 /nfs/dbraw/zinc/98/82/28/606988228.db2.gz YIVOGVBZNGUXDU-GFCCVEGCSA-N -1 3 367.373 0.091 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCCc2c[nH]nc21 ZINC000823277537 607051972 /nfs/dbraw/zinc/05/19/72/607051972.db2.gz PCMWKRPITJTTRK-LBPRGKRZSA-N -1 3 367.373 0.611 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCOC2(CCC2)C1 ZINC000823277571 607173500 /nfs/dbraw/zinc/17/35/00/607173500.db2.gz QNSFDZBQPIFCCC-CYBMUJFWSA-N -1 3 371.401 0.912 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCOC2(CCC2)C1 ZINC000823277571 607173501 /nfs/dbraw/zinc/17/35/01/607173501.db2.gz QNSFDZBQPIFCCC-CYBMUJFWSA-N -1 3 371.401 0.912 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2cc(C)ncn2)cc(-c2nnn[n-]2)n1C ZINC000826267093 607944052 /nfs/dbraw/zinc/94/40/52/607944052.db2.gz PJNRHGUDSIAZBJ-WLRTZDKTSA-N -1 3 363.385 0.835 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2cc(C)ncn2)cc(-c2nn[n-]n2)n1C ZINC000826267093 607944053 /nfs/dbraw/zinc/94/40/53/607944053.db2.gz PJNRHGUDSIAZBJ-WLRTZDKTSA-N -1 3 363.385 0.835 20 50 FCGDHM Cn1ccc(NC(=O)C(C#N)=Cc2cnc3ccc(-c4nnn[n-]4)cn23)n1 ZINC000826363360 607982874 /nfs/dbraw/zinc/98/28/74/607982874.db2.gz IYOVLWKDFJQHHL-WDZFZDKYSA-N -1 3 360.341 0.794 20 50 FCGDHM Cn1ccc(NC(=O)C(C#N)=Cc2cnc3ccc(-c4nn[n-]n4)cn23)n1 ZINC000826363360 607982875 /nfs/dbraw/zinc/98/28/75/607982875.db2.gz IYOVLWKDFJQHHL-WDZFZDKYSA-N -1 3 360.341 0.794 20 50 FCGDHM CNC(=O)NCC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826068669 608074362 /nfs/dbraw/zinc/07/43/62/608074362.db2.gz VSTFNNBBZGARER-UHFFFAOYSA-N -1 3 358.284 0.258 20 50 FCGDHM CNC(=O)NCC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826068669 608074363 /nfs/dbraw/zinc/07/43/63/608074363.db2.gz VSTFNNBBZGARER-UHFFFAOYSA-N -1 3 358.284 0.258 20 50 FCGDHM O=C(NNc1ncccc1Cl)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000826450156 608142298 /nfs/dbraw/zinc/14/22/98/608142298.db2.gz ZENORXRDVWXUAS-UHFFFAOYSA-N -1 3 358.749 0.997 20 50 FCGDHM O=C(NNc1ncccc1Cl)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000826450156 608142299 /nfs/dbraw/zinc/14/22/99/608142299.db2.gz ZENORXRDVWXUAS-UHFFFAOYSA-N -1 3 358.749 0.997 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CO)CC2CC2)cc(-c2nnn[n-]2)n1C ZINC000826235186 608171976 /nfs/dbraw/zinc/17/19/76/608171976.db2.gz DUBUATXEAUGLPW-YGLIYXGISA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CO)CC2CC2)cc(-c2nn[n-]n2)n1C ZINC000826235186 608171978 /nfs/dbraw/zinc/17/19/78/608171978.db2.gz DUBUATXEAUGLPW-YGLIYXGISA-N -1 3 355.402 0.698 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826448426 608205147 /nfs/dbraw/zinc/20/51/47/608205147.db2.gz UZBFRNMKJNNYMO-CZUORRHYSA-N -1 3 359.390 0.831 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000826448426 608205149 /nfs/dbraw/zinc/20/51/49/608205149.db2.gz UZBFRNMKJNNYMO-CZUORRHYSA-N -1 3 359.390 0.831 20 50 FCGDHM O=C(C[C@@H](O)c1cccc(F)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826403916 608274479 /nfs/dbraw/zinc/27/44/79/608274479.db2.gz IEWCPPHTUYEROK-CQSZACIVSA-N -1 3 370.344 0.891 20 50 FCGDHM O=C(C[C@@H](O)c1cccc(F)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826403916 608274480 /nfs/dbraw/zinc/27/44/80/608274480.db2.gz IEWCPPHTUYEROK-CQSZACIVSA-N -1 3 370.344 0.891 20 50 FCGDHM CCC[C@@H](NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)C(=O)OC ZINC000825241945 608334017 /nfs/dbraw/zinc/33/40/17/608334017.db2.gz FGUHAQGLKUMLBK-BWODNOAJSA-N -1 3 371.401 0.879 20 50 FCGDHM CCC[C@@H](NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C(=O)OC ZINC000825241945 608334020 /nfs/dbraw/zinc/33/40/20/608334020.db2.gz FGUHAQGLKUMLBK-BWODNOAJSA-N -1 3 371.401 0.879 20 50 FCGDHM CO[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826145646 608413698 /nfs/dbraw/zinc/41/36/98/608413698.db2.gz KIFQJSMMVGMLLM-OLZOCXBDSA-N -1 3 359.390 0.626 20 50 FCGDHM CO[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826145646 608413699 /nfs/dbraw/zinc/41/36/99/608413699.db2.gz KIFQJSMMVGMLLM-OLZOCXBDSA-N -1 3 359.390 0.626 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1cccnc1-n1cncn1 ZINC000826448478 608810898 /nfs/dbraw/zinc/81/08/98/608810898.db2.gz XJSIAPMZAAVRNA-UHFFFAOYSA-N -1 3 363.345 0.991 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1cccnc1-n1cncn1 ZINC000826448478 608810899 /nfs/dbraw/zinc/81/08/99/608810899.db2.gz XJSIAPMZAAVRNA-UHFFFAOYSA-N -1 3 363.345 0.991 20 50 FCGDHM CN(C)C(=O)Cn1cc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000825846347 608814164 /nfs/dbraw/zinc/81/41/64/608814164.db2.gz XHMXWYXLCXSAOH-UHFFFAOYSA-N -1 3 370.377 0.300 20 50 FCGDHM CN(C)C(=O)Cn1cc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000825846347 608814166 /nfs/dbraw/zinc/81/41/66/608814166.db2.gz XHMXWYXLCXSAOH-UHFFFAOYSA-N -1 3 370.377 0.300 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2nccc(N)n2)cc(-c2nnn[n-]2)n1C ZINC000826235255 609295179 /nfs/dbraw/zinc/29/51/79/609295179.db2.gz GHGUOFNBNBJFDM-WZUFQYTHSA-N -1 3 364.373 0.109 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2nccc(N)n2)cc(-c2nn[n-]n2)n1C ZINC000826235255 609295180 /nfs/dbraw/zinc/29/51/80/609295180.db2.gz GHGUOFNBNBJFDM-WZUFQYTHSA-N -1 3 364.373 0.109 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCOC1 ZINC000824500403 609597314 /nfs/dbraw/zinc/59/73/14/609597314.db2.gz WMHGPZDADPDQLQ-MFKMUULPSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCOC1 ZINC000824500403 609597315 /nfs/dbraw/zinc/59/73/15/609597315.db2.gz WMHGPZDADPDQLQ-MFKMUULPSA-N -1 3 359.390 0.626 20 50 FCGDHM Cc1nn(C)c(C)c1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737510978 945086375 /nfs/dbraw/zinc/08/63/75/945086375.db2.gz QCIZQNIXUYAUQK-UHFFFAOYSA-N -1 3 354.374 0.221 20 50 FCGDHM Cc1nn(C)c(C)c1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737510978 945086386 /nfs/dbraw/zinc/08/63/86/945086386.db2.gz QCIZQNIXUYAUQK-UHFFFAOYSA-N -1 3 354.374 0.221 20 50 FCGDHM Cn1cc(CCCNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000737603149 945100170 /nfs/dbraw/zinc/10/01/70/945100170.db2.gz VPZYWFNQNYWYGM-UHFFFAOYSA-N -1 3 369.389 0.177 20 50 FCGDHM Cn1cc(CCCNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000737603149 945100174 /nfs/dbraw/zinc/10/01/74/945100174.db2.gz VPZYWFNQNYWYGM-UHFFFAOYSA-N -1 3 369.389 0.177 20 50 FCGDHM NC(=O)[C@@H](NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(F)cc1 ZINC000737737478 945121045 /nfs/dbraw/zinc/12/10/45/945121045.db2.gz RJUNIBPUUBXHND-ZDUSSCGKSA-N -1 3 355.333 0.467 20 50 FCGDHM NC(=O)[C@@H](NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(F)cc1 ZINC000737737478 945121047 /nfs/dbraw/zinc/12/10/47/945121047.db2.gz RJUNIBPUUBXHND-ZDUSSCGKSA-N -1 3 355.333 0.467 20 50 FCGDHM O=C(CCc1ccncc1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737861346 945140350 /nfs/dbraw/zinc/14/03/50/945140350.db2.gz UBNCVABDRYRGAS-UHFFFAOYSA-N -1 3 367.369 0.421 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)C1CCSCC1 ZINC000737918368 945150040 /nfs/dbraw/zinc/15/00/40/945150040.db2.gz CHTQOEUIPFYLMH-UHFFFAOYSA-N -1 3 362.415 0.536 20 50 FCGDHM O=C(CSCc1ccccn1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737935325 945160080 /nfs/dbraw/zinc/16/00/80/945160080.db2.gz BJAUBQRNERRQBP-UHFFFAOYSA-N -1 3 369.410 0.956 20 50 FCGDHM O=C(CSCc1ccccn1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737935325 945160087 /nfs/dbraw/zinc/16/00/87/945160087.db2.gz BJAUBQRNERRQBP-UHFFFAOYSA-N -1 3 369.410 0.956 20 50 FCGDHM O=C(Cc1cccnc1)NNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737973763 945169021 /nfs/dbraw/zinc/16/90/21/945169021.db2.gz HEPPSPQBVQLVAI-UHFFFAOYSA-N -1 3 370.348 0.474 20 50 FCGDHM O=C(Cc1cccnc1)NNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737973763 945169023 /nfs/dbraw/zinc/16/90/23/945169023.db2.gz HEPPSPQBVQLVAI-UHFFFAOYSA-N -1 3 370.348 0.474 20 50 FCGDHM O=C(NC[C@H](O)c1ccsc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738042154 945174556 /nfs/dbraw/zinc/17/45/56/945174556.db2.gz VVSYTBZDANWFBE-LBPRGKRZSA-N -1 3 373.398 0.606 20 50 FCGDHM O=C(NC[C@H](O)c1ccsc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738042154 945174562 /nfs/dbraw/zinc/17/45/62/945174562.db2.gz VVSYTBZDANWFBE-LBPRGKRZSA-N -1 3 373.398 0.606 20 50 FCGDHM O=C(NCC1CC1)NNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738046713 945176862 /nfs/dbraw/zinc/17/68/62/945176862.db2.gz WMMOJUANAMKACZ-AWEZNQCLSA-N -1 3 370.417 0.576 20 50 FCGDHM O=C(NCc1ccco1)NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000738124621 945194503 /nfs/dbraw/zinc/19/45/03/945194503.db2.gz SDWYNBGACWBHKG-UHFFFAOYSA-N -1 3 351.330 0.941 20 50 FCGDHM O=C(NCc1ccco1)NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000738124621 945194507 /nfs/dbraw/zinc/19/45/07/945194507.db2.gz SDWYNBGACWBHKG-UHFFFAOYSA-N -1 3 351.330 0.941 20 50 FCGDHM CC(=O)N[C@@H](C)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819803848 945293522 /nfs/dbraw/zinc/29/35/22/945293522.db2.gz QHWAIYOWSMFWCE-LURJTMIESA-N -1 3 357.296 0.853 20 50 FCGDHM CC(=O)N[C@@H](C)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819803848 945293529 /nfs/dbraw/zinc/29/35/29/945293529.db2.gz QHWAIYOWSMFWCE-LURJTMIESA-N -1 3 357.296 0.853 20 50 FCGDHM CC(C)(C)N1C[C@@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000819914073 945312022 /nfs/dbraw/zinc/31/20/22/945312022.db2.gz JQZVQSFEKPBTKJ-LBPRGKRZSA-N -1 3 358.406 0.892 20 50 FCGDHM CC(C)(C)N1C[C@@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000819914073 945312031 /nfs/dbraw/zinc/31/20/31/945312031.db2.gz JQZVQSFEKPBTKJ-LBPRGKRZSA-N -1 3 358.406 0.892 20 50 FCGDHM CC(C)(CNC(=O)NNc1cccc(-c2nnn[n-]2)c1)S(C)(=O)=O ZINC000819980268 945321781 /nfs/dbraw/zinc/32/17/81/945321781.db2.gz BLSIGVWWXBPBOP-UHFFFAOYSA-N -1 3 353.408 0.316 20 50 FCGDHM CC(C)(CNC(=O)NNc1cccc(-c2nn[n-]n2)c1)S(C)(=O)=O ZINC000819980268 945321786 /nfs/dbraw/zinc/32/17/86/945321786.db2.gz BLSIGVWWXBPBOP-UHFFFAOYSA-N -1 3 353.408 0.316 20 50 FCGDHM CC(C)[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820046821 945337813 /nfs/dbraw/zinc/33/78/13/945337813.db2.gz UZUHUJXZVQGNKT-KBPBESRZSA-N -1 3 373.417 0.872 20 50 FCGDHM CC(C)[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820046821 945337822 /nfs/dbraw/zinc/33/78/22/945337822.db2.gz UZUHUJXZVQGNKT-KBPBESRZSA-N -1 3 373.417 0.872 20 50 FCGDHM C#CCOc1ccc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000735381590 944643095 /nfs/dbraw/zinc/64/30/95/944643095.db2.gz WFKUXQQFQQXLIZ-UHFFFAOYSA-N -1 3 362.349 0.954 20 50 FCGDHM C#CCOc1ccc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000735381590 944643100 /nfs/dbraw/zinc/64/31/00/944643100.db2.gz WFKUXQQFQQXLIZ-UHFFFAOYSA-N -1 3 362.349 0.954 20 50 FCGDHM C=CCN(CC(=O)NNC(=O)C1CC1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735416856 944647514 /nfs/dbraw/zinc/64/75/14/944647514.db2.gz RSPKGBHAQIXWNJ-UHFFFAOYSA-N -1 3 355.402 0.412 20 50 FCGDHM C=CCN(CC(=O)NNC(=O)C1CC1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735416856 944647522 /nfs/dbraw/zinc/64/75/22/944647522.db2.gz RSPKGBHAQIXWNJ-UHFFFAOYSA-N -1 3 355.402 0.412 20 50 FCGDHM CC(=O)N1CCC(CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735462421 944662076 /nfs/dbraw/zinc/66/20/76/944662076.db2.gz XYGKCDQFNADNFG-UHFFFAOYSA-N -1 3 358.406 0.751 20 50 FCGDHM CC(=O)N1CCC(CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735462421 944662079 /nfs/dbraw/zinc/66/20/79/944662079.db2.gz XYGKCDQFNADNFG-UHFFFAOYSA-N -1 3 358.406 0.751 20 50 FCGDHM CC(C)OC(=O)CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735893581 944711798 /nfs/dbraw/zinc/71/17/98/944711798.db2.gz XTGOQHXBPMAGSJ-UHFFFAOYSA-N -1 3 361.362 0.152 20 50 FCGDHM CC(C)OC(=O)CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735893581 944711803 /nfs/dbraw/zinc/71/18/03/944711803.db2.gz XTGOQHXBPMAGSJ-UHFFFAOYSA-N -1 3 361.362 0.152 20 50 FCGDHM C[C@@H](Oc1cccnc1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736187490 944758567 /nfs/dbraw/zinc/75/85/67/944758567.db2.gz BEICAWPDUWAUEQ-SNVBAGLBSA-N -1 3 353.342 0.490 20 50 FCGDHM C[C@@H](Oc1cccnc1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736187490 944758570 /nfs/dbraw/zinc/75/85/70/944758570.db2.gz BEICAWPDUWAUEQ-SNVBAGLBSA-N -1 3 353.342 0.490 20 50 FCGDHM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736325428 944800994 /nfs/dbraw/zinc/80/09/94/944800994.db2.gz JJVVXEXDCYYXAL-NXEZZACHSA-N -1 3 374.405 0.114 20 50 FCGDHM CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736325428 944801003 /nfs/dbraw/zinc/80/10/03/944801003.db2.gz JJVVXEXDCYYXAL-NXEZZACHSA-N -1 3 374.405 0.114 20 50 FCGDHM CC[C@H](COC)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736350436 944807907 /nfs/dbraw/zinc/80/79/07/944807907.db2.gz AOFLCESPFOPVPI-SNVBAGLBSA-N -1 3 363.378 0.001 20 50 FCGDHM CC[C@H](COC)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736350436 944807912 /nfs/dbraw/zinc/80/79/12/944807912.db2.gz AOFLCESPFOPVPI-SNVBAGLBSA-N -1 3 363.378 0.001 20 50 FCGDHM CC[C@@H]1CN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)O1 ZINC000736406756 944815408 /nfs/dbraw/zinc/81/54/08/944815408.db2.gz BNLLJIPPARSMSS-ZWNOBZJWSA-N -1 3 359.390 0.720 20 50 FCGDHM CC[C@@H]1CN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)O1 ZINC000736406756 944815413 /nfs/dbraw/zinc/81/54/13/944815413.db2.gz BNLLJIPPARSMSS-ZWNOBZJWSA-N -1 3 359.390 0.720 20 50 FCGDHM CCN(CC)C(=O)CCCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736523204 944838585 /nfs/dbraw/zinc/83/85/85/944838585.db2.gz PIKYOFPREZJLDC-UHFFFAOYSA-N -1 3 373.417 0.666 20 50 FCGDHM CCN(CC)C(=O)CCCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736523204 944838591 /nfs/dbraw/zinc/83/85/91/944838591.db2.gz PIKYOFPREZJLDC-UHFFFAOYSA-N -1 3 373.417 0.666 20 50 FCGDHM COC(=O)N(C)CCCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736931855 944912239 /nfs/dbraw/zinc/91/22/39/944912239.db2.gz BPWRHNVJLVSZGK-UHFFFAOYSA-N -1 3 361.362 0.106 20 50 FCGDHM COC(=O)N(C)CCCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736931855 944912249 /nfs/dbraw/zinc/91/22/49/944912249.db2.gz BPWRHNVJLVSZGK-UHFFFAOYSA-N -1 3 361.362 0.106 20 50 FCGDHM COC[C@@H]1CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000736970606 944921766 /nfs/dbraw/zinc/92/17/66/944921766.db2.gz DCUUTXSUDNVHQC-CHJAJTDHSA-N -1 3 355.402 0.916 20 50 FCGDHM COC[C@@H]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736970606 944921771 /nfs/dbraw/zinc/92/17/71/944921771.db2.gz DCUUTXSUDNVHQC-CHJAJTDHSA-N -1 3 355.402 0.916 20 50 FCGDHM COCCOCCOC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000737011598 944930978 /nfs/dbraw/zinc/93/09/78/944930978.db2.gz WWSBLINMAQYUMK-MDWZMJQESA-N -1 3 360.374 0.627 20 50 FCGDHM COCCOCCOC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000737011598 944930983 /nfs/dbraw/zinc/93/09/83/944930983.db2.gz WWSBLINMAQYUMK-MDWZMJQESA-N -1 3 360.374 0.627 20 50 FCGDHM COc1ncccc1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737163787 944975206 /nfs/dbraw/zinc/97/52/06/944975206.db2.gz ORUTZDILSRPGCV-UHFFFAOYSA-N -1 3 368.357 0.415 20 50 FCGDHM COc1ncccc1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737163787 944975210 /nfs/dbraw/zinc/97/52/10/944975210.db2.gz ORUTZDILSRPGCV-UHFFFAOYSA-N -1 3 368.357 0.415 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCS(=O)CC2)cc(-c2nnn[n-]2)n1C ZINC000737211321 944985436 /nfs/dbraw/zinc/98/54/36/944985436.db2.gz BPTVRPVNLHQYQM-KPKJPENVSA-N -1 3 359.415 0.012 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCS(=O)CC2)cc(-c2nn[n-]n2)n1C ZINC000737211321 944985441 /nfs/dbraw/zinc/98/54/41/944985441.db2.gz BPTVRPVNLHQYQM-KPKJPENVSA-N -1 3 359.415 0.012 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)[C@H]2CCN(C)C2=O)cc(-c2nnn[n-]2)n1C ZINC000737212052 944991469 /nfs/dbraw/zinc/99/14/69/944991469.db2.gz HIECZGDQEYOLPW-WHGQRRHOSA-N -1 3 368.401 0.110 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)[C@H]2CCN(C)C2=O)cc(-c2nn[n-]n2)n1C ZINC000737212052 944991473 /nfs/dbraw/zinc/99/14/73/944991473.db2.gz HIECZGDQEYOLPW-WHGQRRHOSA-N -1 3 368.401 0.110 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)Cc2cn[nH]c2)cc(-c2nnn[n-]2)n1C ZINC000737213798 945008341 /nfs/dbraw/zinc/00/83/41/945008341.db2.gz XGPFSNBTBXRXCP-PQMHYQBVSA-N -1 3 351.374 0.802 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)Cc2cn[nH]c2)cc(-c2nn[n-]n2)n1C ZINC000737213798 945008352 /nfs/dbraw/zinc/00/83/52/945008352.db2.gz XGPFSNBTBXRXCP-PQMHYQBVSA-N -1 3 351.374 0.802 20 50 FCGDHM C[C@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820233936 945393344 /nfs/dbraw/zinc/39/33/44/945393344.db2.gz MSTYZTAJSMPNOC-MNOVXSKESA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820233936 945393353 /nfs/dbraw/zinc/39/33/53/945393353.db2.gz MSTYZTAJSMPNOC-MNOVXSKESA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCOCC1 ZINC000820372760 945432345 /nfs/dbraw/zinc/43/23/45/945432345.db2.gz BQEFCQUMFJZGKV-SNVBAGLBSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000820372760 945432348 /nfs/dbraw/zinc/43/23/48/945432348.db2.gz BQEFCQUMFJZGKV-SNVBAGLBSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)Cc1ccccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374588 945438526 /nfs/dbraw/zinc/43/85/26/945438526.db2.gz PBFBNDKNZTWVBA-NSHDSACASA-N -1 3 366.385 0.896 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)Cc1ccccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374588 945438531 /nfs/dbraw/zinc/43/85/31/945438531.db2.gz PBFBNDKNZTWVBA-NSHDSACASA-N -1 3 366.385 0.896 20 50 FCGDHM C[C@](O)(Cc1ccccc1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820467092 945458083 /nfs/dbraw/zinc/45/80/83/945458083.db2.gz ALUMEYROEOIAPB-SFHVURJKSA-N -1 3 366.381 0.621 20 50 FCGDHM C[C@](O)(Cc1ccccc1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820467092 945458088 /nfs/dbraw/zinc/45/80/88/945458088.db2.gz ALUMEYROEOIAPB-SFHVURJKSA-N -1 3 366.381 0.621 20 50 FCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@H]1CCCCO1 ZINC000820529151 945474772 /nfs/dbraw/zinc/47/47/72/945474772.db2.gz PIWQJPWVHBBFHO-GXFFZTMASA-N -1 3 360.374 0.351 20 50 FCGDHM CC1CC(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820649039 945508646 /nfs/dbraw/zinc/50/86/46/945508646.db2.gz HWTNWUJXBTWKPB-UHFFFAOYSA-N -1 3 358.358 0.217 20 50 FCGDHM CC1CC(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820649039 945508658 /nfs/dbraw/zinc/50/86/58/945508658.db2.gz HWTNWUJXBTWKPB-UHFFFAOYSA-N -1 3 358.358 0.217 20 50 FCGDHM CC[C@@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)C(=O)N1CCOCC1 ZINC000820920246 945589964 /nfs/dbraw/zinc/58/99/64/945589964.db2.gz NYFVBKXFPUZRMB-CYBMUJFWSA-N -1 3 374.405 0.130 20 50 FCGDHM CC[C@@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)C(=O)N1CCOCC1 ZINC000820920246 945589968 /nfs/dbraw/zinc/58/99/68/945589968.db2.gz NYFVBKXFPUZRMB-CYBMUJFWSA-N -1 3 374.405 0.130 20 50 FCGDHM CCC1(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000820944831 945594072 /nfs/dbraw/zinc/59/40/72/945594072.db2.gz PAKHZYQPJAKKGJ-UHFFFAOYSA-N -1 3 358.358 0.361 20 50 FCGDHM CCC1(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000820944831 945594078 /nfs/dbraw/zinc/59/40/78/945594078.db2.gz PAKHZYQPJAKKGJ-UHFFFAOYSA-N -1 3 358.358 0.361 20 50 FCGDHM CC[C@H]1CC[C@H](C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820971267 945601514 /nfs/dbraw/zinc/60/15/14/945601514.db2.gz AHZCPGDBVISCQV-WCQYABFASA-N -1 3 360.374 0.351 20 50 FCGDHM CCC[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821016086 945613371 /nfs/dbraw/zinc/61/33/71/945613371.db2.gz VHMPQZHNNBJAKO-SNVBAGLBSA-N -1 3 360.374 0.607 20 50 FCGDHM CCC[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821016086 945613377 /nfs/dbraw/zinc/61/33/77/945613377.db2.gz VHMPQZHNNBJAKO-SNVBAGLBSA-N -1 3 360.374 0.607 20 50 FCGDHM CCN(CC)c1cc[nH]c(=NNC(=O)c2cc(-c3nnn[n-]3)cn2C)n1 ZINC000821197476 945651624 /nfs/dbraw/zinc/65/16/24/945651624.db2.gz LMKBQOVDCWKLHZ-UHFFFAOYSA-N -1 3 356.394 0.598 20 50 FCGDHM CCN(CC)c1cc[nH]c(=NNC(=O)c2cc(-c3nn[n-]n3)cn2C)n1 ZINC000821197476 945651627 /nfs/dbraw/zinc/65/16/27/945651627.db2.gz LMKBQOVDCWKLHZ-UHFFFAOYSA-N -1 3 356.394 0.598 20 50 FCGDHM CCc1c[nH]c(SCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000821466276 945703344 /nfs/dbraw/zinc/70/33/44/945703344.db2.gz VKZRCVRHMHBLMB-UHFFFAOYSA-N -1 3 372.414 0.706 20 50 FCGDHM CCc1c[nH]c(SCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000821466276 945703351 /nfs/dbraw/zinc/70/33/51/945703351.db2.gz VKZRCVRHMHBLMB-UHFFFAOYSA-N -1 3 372.414 0.706 20 50 FCGDHM CN(CCC1CCOCC1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821599316 945737357 /nfs/dbraw/zinc/73/73/57/945737357.db2.gz ORGRGVVZKFWOSQ-UHFFFAOYSA-N -1 3 373.417 0.970 20 50 FCGDHM CN(CCC1CCOCC1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821599316 945737364 /nfs/dbraw/zinc/73/73/64/945737364.db2.gz ORGRGVVZKFWOSQ-UHFFFAOYSA-N -1 3 373.417 0.970 20 50 FCGDHM COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821655221 945778238 /nfs/dbraw/zinc/77/82/38/945778238.db2.gz HNVRFFHNZXXOBW-STQMWFEESA-N -1 3 372.385 0.607 20 50 FCGDHM COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821655221 945778246 /nfs/dbraw/zinc/77/82/46/945778246.db2.gz HNVRFFHNZXXOBW-STQMWFEESA-N -1 3 372.385 0.607 20 50 FCGDHM COC(=O)c1cc(C=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c[nH]1 ZINC000821667191 945788630 /nfs/dbraw/zinc/78/86/30/945788630.db2.gz ZARNFJNGLDHCCF-UHFFFAOYSA-N -1 3 369.341 0.511 20 50 FCGDHM COC[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000821682784 945807297 /nfs/dbraw/zinc/80/72/97/945807297.db2.gz NNVUCNKTEDZSEN-LBPRGKRZSA-N -1 3 371.357 0.791 20 50 FCGDHM COC[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000821682784 945807302 /nfs/dbraw/zinc/80/73/02/945807302.db2.gz NNVUCNKTEDZSEN-LBPRGKRZSA-N -1 3 371.357 0.791 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@](C)(O)C2CC2)cc(-c2nnn[n-]2)n1C ZINC000822026959 945926199 /nfs/dbraw/zinc/92/61/99/945926199.db2.gz BQHUOVZPZBHTBP-HMPQKADESA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@](C)(O)C2CC2)cc(-c2nn[n-]n2)n1C ZINC000822026959 945926207 /nfs/dbraw/zinc/92/62/07/945926207.db2.gz BQHUOVZPZBHTBP-HMPQKADESA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)C(C)(C)C)cc(-c2nnn[n-]2)n1C ZINC000822027371 945932315 /nfs/dbraw/zinc/93/23/15/945932315.db2.gz GUQKDKDAUISVBG-CYIWUNGXSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)C(C)(C)C)cc(-c2nn[n-]n2)n1C ZINC000822027371 945932321 /nfs/dbraw/zinc/93/23/21/945932321.db2.gz GUQKDKDAUISVBG-CYIWUNGXSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCC[C@H]2O)cc(-c2nnn[n-]2)n1C ZINC000822028275 945942162 /nfs/dbraw/zinc/94/21/62/945942162.db2.gz MXKMUSQNRYLELD-UOTWJHKMSA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCC[C@H]2O)cc(-c2nn[n-]n2)n1C ZINC000822028275 945942173 /nfs/dbraw/zinc/94/21/73/945942173.db2.gz MXKMUSQNRYLELD-UOTWJHKMSA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OC[C@@H]2COC(=O)O2)cc(-c2nnn[n-]2)n1C ZINC000822029436 945958278 /nfs/dbraw/zinc/95/82/78/945958278.db2.gz YRMLBSNHNRWAPA-LBQOUHFTSA-N -1 3 358.314 0.499 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OC[C@@H]2COC(=O)O2)cc(-c2nn[n-]n2)n1C ZINC000822029436 945958289 /nfs/dbraw/zinc/95/82/89/945958289.db2.gz YRMLBSNHNRWAPA-LBQOUHFTSA-N -1 3 358.314 0.499 20 50 FCGDHM Cc1ccc(CN(C)CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822237215 946022971 /nfs/dbraw/zinc/02/29/71/946022971.db2.gz KGJGUOCZWKMVEY-UHFFFAOYSA-N -1 3 369.385 0.661 20 50 FCGDHM Cc1ccc(CN(C)CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822237215 946022981 /nfs/dbraw/zinc/02/29/81/946022981.db2.gz KGJGUOCZWKMVEY-UHFFFAOYSA-N -1 3 369.385 0.661 20 50 FCGDHM Cc1nc2n(n1)CCC[C@H]2NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000822462653 946097436 /nfs/dbraw/zinc/09/74/36/946097436.db2.gz KQJBWWZMKGHCBA-GFCCVEGCSA-N -1 3 354.378 0.928 20 50 FCGDHM Cc1nc2n(n1)CCC[C@H]2NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000822462653 946097447 /nfs/dbraw/zinc/09/74/47/946097447.db2.gz KQJBWWZMKGHCBA-GFCCVEGCSA-N -1 3 354.378 0.928 20 50 FCGDHM Cn1c(=O)c2ccccc2[nH]c1=NNC(=O)c1cc(-c2nnn[n-]2)cs1 ZINC000822600631 946135198 /nfs/dbraw/zinc/13/51/98/946135198.db2.gz OOZNSLBENUMNQI-UHFFFAOYSA-N -1 3 368.382 0.932 20 50 FCGDHM Cn1c(=O)c2ccccc2[nH]c1=NNC(=O)c1cc(-c2nn[n-]n2)cs1 ZINC000822600631 946135210 /nfs/dbraw/zinc/13/52/10/946135210.db2.gz OOZNSLBENUMNQI-UHFFFAOYSA-N -1 3 368.382 0.932 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)c1cccc2ncccc21 ZINC000822645638 946144866 /nfs/dbraw/zinc/14/48/66/946144866.db2.gz INJPYJOSBTVRNA-UHFFFAOYSA-N -1 3 362.353 0.828 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)c1cccc2ncccc21 ZINC000822645638 946144872 /nfs/dbraw/zinc/14/48/72/946144872.db2.gz INJPYJOSBTVRNA-UHFFFAOYSA-N -1 3 362.353 0.828 20 50 FCGDHM O=C(CCC1CCOCC1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822950571 946230040 /nfs/dbraw/zinc/23/00/40/946230040.db2.gz SYPQTDNXLACRSS-UHFFFAOYSA-N -1 3 374.401 0.600 20 50 FCGDHM O=C(CNC(=O)C1CC1)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000823000715 946260166 /nfs/dbraw/zinc/26/01/66/946260166.db2.gz DGKZZQQKVZMOGQ-UHFFFAOYSA-N -1 3 369.307 0.855 20 50 FCGDHM O=C(CNC(=O)C1CC1)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000823000715 946260178 /nfs/dbraw/zinc/26/01/78/946260178.db2.gz DGKZZQQKVZMOGQ-UHFFFAOYSA-N -1 3 369.307 0.855 20 50 FCGDHM O=C(COC(=O)[C@H]1C[C@H]1C1CC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018499 946272373 /nfs/dbraw/zinc/27/23/73/946272373.db2.gz PJJVQGHSATUZIO-STQMWFEESA-N -1 3 370.369 0.217 20 50 FCGDHM O=C(COC(=O)[C@H]1C[C@H]1C1CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018499 946272383 /nfs/dbraw/zinc/27/23/83/946272383.db2.gz PJJVQGHSATUZIO-STQMWFEESA-N -1 3 370.369 0.217 20 50 FCGDHM O=C(Cc1c[nH]c2ncccc12)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823074807 946304079 /nfs/dbraw/zinc/30/40/79/946304079.db2.gz WZYVCMSYHVVYAJ-UHFFFAOYSA-N -1 3 362.353 0.747 20 50 FCGDHM O=C(Cc1c[nH]c2ncccc12)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823074807 946304089 /nfs/dbraw/zinc/30/40/89/946304089.db2.gz WZYVCMSYHVVYAJ-UHFFFAOYSA-N -1 3 362.353 0.747 20 50 FCGDHM O=C(Cc1cccnc1)NNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823115451 946317572 /nfs/dbraw/zinc/31/75/72/946317572.db2.gz OANHKAHUXPKAPN-UHFFFAOYSA-N -1 3 370.348 0.474 20 50 FCGDHM O=C(Cc1cccnc1)NNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823115451 946317581 /nfs/dbraw/zinc/31/75/81/946317581.db2.gz OANHKAHUXPKAPN-UHFFFAOYSA-N -1 3 370.348 0.474 20 50 FCGDHM O=C(Cc1ccncc1)NNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000823115514 946318294 /nfs/dbraw/zinc/31/82/94/946318294.db2.gz QCIBZEOKUQTJDX-UHFFFAOYSA-N -1 3 354.399 0.822 20 50 FCGDHM O=C(Cc1ccncc1)NNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000823115514 946318305 /nfs/dbraw/zinc/31/83/05/946318305.db2.gz QCIBZEOKUQTJDX-UHFFFAOYSA-N -1 3 354.399 0.822 20 50 FCGDHM O=C(Cc1ccncc1)NNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823115009 946319253 /nfs/dbraw/zinc/31/92/53/946319253.db2.gz HMIDDECGGZMLGA-UHFFFAOYSA-N -1 3 370.348 0.474 20 50 FCGDHM O=C(Cc1ccncc1)NNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823115009 946319265 /nfs/dbraw/zinc/31/92/65/946319265.db2.gz HMIDDECGGZMLGA-UHFFFAOYSA-N -1 3 370.348 0.474 20 50 FCGDHM O=C(NNC(=O)N1CCC2(C1)CCOCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000823276986 946390640 /nfs/dbraw/zinc/39/06/40/946390640.db2.gz AUQPIJVDDXKUMX-UHFFFAOYSA-N -1 3 371.401 0.724 20 50 FCGDHM O=C(NNC(=O)N1CCC2(C1)CCOCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000823276986 946390649 /nfs/dbraw/zinc/39/06/49/946390649.db2.gz AUQPIJVDDXKUMX-UHFFFAOYSA-N -1 3 371.401 0.724 20 50 FCGDHM O=S(=O)(CBr)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000826484174 948400334 /nfs/dbraw/zinc/40/03/34/948400334.db2.gz QPDKOXCMQKAIBA-UHFFFAOYSA-N -1 3 350.173 0.778 20 50 FCGDHM O=S(=O)(CBr)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000826484174 948400336 /nfs/dbraw/zinc/40/03/36/948400336.db2.gz QPDKOXCMQKAIBA-UHFFFAOYSA-N -1 3 350.173 0.778 20 50 FCGDHM CN(C)CCN1C[C@@H](C(=O)NNc2ccc(C(=O)[O-])c(F)c2)CC1=O ZINC001598231128 990938278 /nfs/dbraw/zinc/93/82/78/990938278.db2.gz MWNZDIMGPUINHL-JTQLQIEISA-N -1 3 352.366 0.377 20 50 FCGDHM CNC(=O)COc1cc(C(=O)[O-])ccc1NC(=O)NNc1ccncc1 ZINC001598645529 994367261 /nfs/dbraw/zinc/36/72/61/994367261.db2.gz IGPVKJFMJHROHM-UHFFFAOYSA-N -1 3 359.342 0.475 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1sccc1-n1cnnn1 ZINC000826447710 607343813 /nfs/dbraw/zinc/34/38/13/607343813.db2.gz SNUOLRDKRPQTHS-UHFFFAOYSA-N -1 3 354.359 0.661 20 50 FCGDHM O=C(CCCNC(=O)c1cccnc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826406490 607344753 /nfs/dbraw/zinc/34/47/53/607344753.db2.gz ZGIYTZFUDKJDAX-UHFFFAOYSA-N -1 3 366.385 0.915 20 50 FCGDHM C[C@@H](C(=O)N(C)CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)n1cccn1 ZINC000824040715 607348871 /nfs/dbraw/zinc/34/88/71/607348871.db2.gz UOLOWGPPHDSDBX-NSHDSACASA-N -1 3 369.389 0.226 20 50 FCGDHM O=C(CS[C@H]1CCS(=O)(=O)C1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826419584 607349606 /nfs/dbraw/zinc/34/96/06/607349606.db2.gz DOYVUXUHAAOUCG-NSHDSACASA-N -1 3 368.444 0.230 20 50 FCGDHM CNC(=O)c1cncc(C=CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826073112 607353803 /nfs/dbraw/zinc/35/38/03/607353803.db2.gz FNCMXWHKIHPNOL-FARCUNLSSA-N -1 3 364.369 0.778 20 50 FCGDHM CCC1(CC)NC(=O)N(CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000825171610 607355034 /nfs/dbraw/zinc/35/50/34/607355034.db2.gz SEGIBCCZEFKATL-UHFFFAOYSA-N -1 3 372.389 0.420 20 50 FCGDHM COCCn1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)ccc1=O ZINC000826163926 607354936 /nfs/dbraw/zinc/35/49/36/607354936.db2.gz RBNHORZVZDNNSC-UHFFFAOYSA-N -1 3 355.358 0.432 20 50 FCGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H]1CCC(=O)N1 ZINC000823530085 607394353 /nfs/dbraw/zinc/39/43/53/607394353.db2.gz CCYXZLVTOWGVOC-VIFPVBQESA-N -1 3 355.280 0.607 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@@H]1CCC(=O)N1 ZINC000823530085 607394356 /nfs/dbraw/zinc/39/43/56/607394356.db2.gz CCYXZLVTOWGVOC-VIFPVBQESA-N -1 3 355.280 0.607 20 50 FCGDHM O=C(NNC(=O)[C@H]1CCn2ccnc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444460 607462660 /nfs/dbraw/zinc/46/26/60/607462660.db2.gz HILDKFHJQVWYLW-LBPRGKRZSA-N -1 3 352.358 0.087 20 50 FCGDHM O=C(NNC(=O)[C@H]1CCn2ccnc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444460 607462662 /nfs/dbraw/zinc/46/26/62/607462662.db2.gz HILDKFHJQVWYLW-LBPRGKRZSA-N -1 3 352.358 0.087 20 50 FCGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1S(N)(=O)=O ZINC000826259877 607725948 /nfs/dbraw/zinc/72/59/48/607725948.db2.gz KQHOJRJOPWGOIU-UHFFFAOYSA-N -1 3 373.398 0.579 20 50 FCGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1S(N)(=O)=O ZINC000826259877 607725949 /nfs/dbraw/zinc/72/59/49/607725949.db2.gz KQHOJRJOPWGOIU-UHFFFAOYSA-N -1 3 373.398 0.579 20 50 FCGDHM CN(C)C(=O)N1CCC(C(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825845691 607729417 /nfs/dbraw/zinc/72/94/17/607729417.db2.gz LUARLWFPYDNFQT-UHFFFAOYSA-N -1 3 358.406 0.703 20 50 FCGDHM CN(C)C(=O)N1CCC(C(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825845691 607729419 /nfs/dbraw/zinc/72/94/19/607729419.db2.gz LUARLWFPYDNFQT-UHFFFAOYSA-N -1 3 358.406 0.703 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000826481709 607730385 /nfs/dbraw/zinc/73/03/85/607730385.db2.gz GHHGZPALDZHYAD-UHFFFAOYSA-N -1 3 351.326 0.955 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000826481709 607730386 /nfs/dbraw/zinc/73/03/86/607730386.db2.gz GHHGZPALDZHYAD-UHFFFAOYSA-N -1 3 351.326 0.955 20 50 FCGDHM O=C(NCc1ncccc1F)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443722 607758134 /nfs/dbraw/zinc/75/81/34/607758134.db2.gz AHEVPPGQGXADPD-UHFFFAOYSA-N -1 3 356.321 0.545 20 50 FCGDHM O=C(NCc1ncccc1F)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443722 607758135 /nfs/dbraw/zinc/75/81/35/607758135.db2.gz AHEVPPGQGXADPD-UHFFFAOYSA-N -1 3 356.321 0.545 20 50 FCGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1COCCO1 ZINC000823281358 606128067 /nfs/dbraw/zinc/12/80/67/606128067.db2.gz RDHPCHISVIXINN-SNVBAGLBSA-N -1 3 358.280 0.744 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1COCCO1 ZINC000823281358 606128068 /nfs/dbraw/zinc/12/80/68/606128068.db2.gz RDHPCHISVIXINN-SNVBAGLBSA-N -1 3 358.280 0.744 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCC(F)(F)C1 ZINC000823277659 606931948 /nfs/dbraw/zinc/93/19/48/606931948.db2.gz UIUNUECOAVHGAQ-JTQLQIEISA-N -1 3 351.317 0.999 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCC(F)(F)C1 ZINC000823277659 606931949 /nfs/dbraw/zinc/93/19/49/606931949.db2.gz UIUNUECOAVHGAQ-JTQLQIEISA-N -1 3 351.317 0.999 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCc2c[nH]nc2C1 ZINC000823277528 606988129 /nfs/dbraw/zinc/98/81/29/606988129.db2.gz OTKRHXHIKVBXHM-LBPRGKRZSA-N -1 3 367.373 0.091 20 50 FCGDHM C=C(C)[C@@H](CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)OCC ZINC000823873146 607879422 /nfs/dbraw/zinc/87/94/22/607879422.db2.gz JMIZFGOVAVNWQE-CQSZACIVSA-N -1 3 374.401 0.764 20 50 FCGDHM NC(=O)c1cccc(C=NNC(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000826393309 607882902 /nfs/dbraw/zinc/88/29/02/607882902.db2.gz MOKVGVPOAOFTJX-UHFFFAOYSA-N -1 3 365.353 0.495 20 50 FCGDHM NC(=O)c1cccc(C=NNC(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000826393309 607882903 /nfs/dbraw/zinc/88/29/03/607882903.db2.gz MOKVGVPOAOFTJX-UHFFFAOYSA-N -1 3 365.353 0.495 20 50 FCGDHM CC(=O)Nc1cncc(C(=O)NN=Cc2ccccc2-c2nnn[n-]2)c1 ZINC000824004903 607890050 /nfs/dbraw/zinc/89/00/50/607890050.db2.gz FZIBGIDZSPWOFE-UHFFFAOYSA-N -1 3 350.342 0.984 20 50 FCGDHM CC(=O)Nc1cncc(C(=O)NN=Cc2ccccc2-c2nn[n-]n2)c1 ZINC000824004903 607890051 /nfs/dbraw/zinc/89/00/51/607890051.db2.gz FZIBGIDZSPWOFE-UHFFFAOYSA-N -1 3 350.342 0.984 20 50 FCGDHM O=C(CN(CC(F)F)C1CC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826409896 607923041 /nfs/dbraw/zinc/92/30/41/607923041.db2.gz SSMMZVWVHGMEOK-UHFFFAOYSA-N -1 3 365.344 0.357 20 50 FCGDHM O=C(CN(CC(F)F)C1CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826409896 607923042 /nfs/dbraw/zinc/92/30/42/607923042.db2.gz SSMMZVWVHGMEOK-UHFFFAOYSA-N -1 3 365.344 0.357 20 50 FCGDHM CS[C@H](C)CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826224932 607931025 /nfs/dbraw/zinc/93/10/25/607931025.db2.gz PIIAQOFSTVUUQL-SECBINFHSA-N -1 3 350.404 0.535 20 50 FCGDHM CCC[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000825254471 607992852 /nfs/dbraw/zinc/99/28/52/607992852.db2.gz RXWJGPSNMVUDFS-AWEZNQCLSA-N -1 3 373.417 0.129 20 50 FCGDHM CCC[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000825254471 607992853 /nfs/dbraw/zinc/99/28/53/607992853.db2.gz RXWJGPSNMVUDFS-AWEZNQCLSA-N -1 3 373.417 0.129 20 50 FCGDHM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)CN(C)[C@@H]2CCSC2)o1 ZINC000824358161 608120465 /nfs/dbraw/zinc/12/04/65/608120465.db2.gz AORVWYMRKSPRAN-SECBINFHSA-N -1 3 366.451 0.859 20 50 FCGDHM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)CN(C)[C@@H]2CCSC2)o1 ZINC000824358161 608120466 /nfs/dbraw/zinc/12/04/66/608120466.db2.gz AORVWYMRKSPRAN-SECBINFHSA-N -1 3 366.451 0.859 20 50 FCGDHM COc1cccc(NNC(=O)C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000826216816 608142108 /nfs/dbraw/zinc/14/21/08/608142108.db2.gz OTKGWPIGJKYRBK-UHFFFAOYSA-N -1 3 372.320 0.491 20 50 FCGDHM COc1cccc(NNC(=O)C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000826216816 608142109 /nfs/dbraw/zinc/14/21/09/608142109.db2.gz OTKGWPIGJKYRBK-UHFFFAOYSA-N -1 3 372.320 0.491 20 50 FCGDHM C[C@@H]1C[C@H](CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824885039 608163100 /nfs/dbraw/zinc/16/31/00/608163100.db2.gz QWSHCTATUBTWDB-GHMZBOCLSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@@H]1C[C@H](CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824885039 608163102 /nfs/dbraw/zinc/16/31/02/608163102.db2.gz QWSHCTATUBTWDB-GHMZBOCLSA-N -1 3 359.390 0.626 20 50 FCGDHM N#CC(=Cc1cnc2ccc(-c3nnn[n-]3)cn12)C(=O)Nc1ccncc1 ZINC000826379342 608387025 /nfs/dbraw/zinc/38/70/25/608387025.db2.gz PCYKCQDYNHHJLI-KPKJPENVSA-N -1 3 357.337 0.877 20 50 FCGDHM N#CC(=Cc1cnc2ccc(-c3nn[n-]n3)cn12)C(=O)Nc1ccncc1 ZINC000826379342 608387027 /nfs/dbraw/zinc/38/70/27/608387027.db2.gz PCYKCQDYNHHJLI-KPKJPENVSA-N -1 3 357.337 0.877 20 50 FCGDHM NC(=O)NC1(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000826392251 608471514 /nfs/dbraw/zinc/47/15/14/608471514.db2.gz RTJYHOQKWGDJPL-UHFFFAOYSA-N -1 3 370.295 0.530 20 50 FCGDHM NC(=O)NC1(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000826392251 608471515 /nfs/dbraw/zinc/47/15/15/608471515.db2.gz RTJYHOQKWGDJPL-UHFFFAOYSA-N -1 3 370.295 0.530 20 50 FCGDHM CC(C)[C@@H](O)C1(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824199116 608589534 /nfs/dbraw/zinc/58/95/34/608589534.db2.gz HXJMVLSZBUCBJB-CYBMUJFWSA-N -1 3 373.417 0.608 20 50 FCGDHM CC(C)[C@@H](O)C1(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824199116 608589537 /nfs/dbraw/zinc/58/95/37/608589537.db2.gz HXJMVLSZBUCBJB-CYBMUJFWSA-N -1 3 373.417 0.608 20 50 FCGDHM COCCc1cc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)n(C)n1 ZINC000826163427 608816616 /nfs/dbraw/zinc/81/66/16/608816616.db2.gz UGGNIYMVPHGXPA-UHFFFAOYSA-N -1 3 357.378 0.938 20 50 FCGDHM COCCc1cc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)n(C)n1 ZINC000826163427 608816617 /nfs/dbraw/zinc/81/66/17/608816617.db2.gz UGGNIYMVPHGXPA-UHFFFAOYSA-N -1 3 357.378 0.938 20 50 FCGDHM CC1(C#N)CCN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824776431 609142581 /nfs/dbraw/zinc/14/25/81/609142581.db2.gz AKUBOYQKZFXDJQ-UHFFFAOYSA-N -1 3 368.401 0.253 20 50 FCGDHM CC1(C#N)CCN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824776431 609142584 /nfs/dbraw/zinc/14/25/84/609142584.db2.gz AKUBOYQKZFXDJQ-UHFFFAOYSA-N -1 3 368.401 0.253 20 50 FCGDHM Cc1cc(C(=O)NNc2cnccn2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260598 609155520 /nfs/dbraw/zinc/15/55/20/609155520.db2.gz WGKYFGHNIHWTRW-UHFFFAOYSA-N -1 3 362.357 0.908 20 50 FCGDHM Cc1cc(C(=O)NNc2cnccn2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260598 609155522 /nfs/dbraw/zinc/15/55/22/609155522.db2.gz WGKYFGHNIHWTRW-UHFFFAOYSA-N -1 3 362.357 0.908 20 50 FCGDHM Cc1cc(C(=O)NNc2cccnn2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260425 609156949 /nfs/dbraw/zinc/15/69/49/609156949.db2.gz NOSKLUKIYXSUIO-UHFFFAOYSA-N -1 3 362.357 0.908 20 50 FCGDHM CCNC(=O)N(C)NC(=O)[C@H](Oc1ccccc1-c1nnn[n-]1)C(C)C ZINC000825471454 609166003 /nfs/dbraw/zinc/16/60/03/609166003.db2.gz UIOJPADGCGLMNH-CYBMUJFWSA-N -1 3 361.406 0.963 20 50 FCGDHM CCNC(=O)N(C)NC(=O)[C@H](Oc1ccccc1-c1nn[n-]n1)C(C)C ZINC000825471454 609166005 /nfs/dbraw/zinc/16/60/05/609166005.db2.gz UIOJPADGCGLMNH-CYBMUJFWSA-N -1 3 361.406 0.963 20 50 FCGDHM N#Cc1ccc([C@@H](O)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826384593 609224401 /nfs/dbraw/zinc/22/44/01/609224401.db2.gz BOGTUUDHAHATNY-CQSZACIVSA-N -1 3 363.337 0.233 20 50 FCGDHM N#Cc1ccc([C@@H](O)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826384593 609224403 /nfs/dbraw/zinc/22/44/03/609224403.db2.gz BOGTUUDHAHATNY-CQSZACIVSA-N -1 3 363.337 0.233 20 50 FCGDHM N#Cc1cccc(C(=O)NNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826386808 609224486 /nfs/dbraw/zinc/22/44/86/609224486.db2.gz TYMNLBRPODQZPZ-CQSZACIVSA-N -1 3 363.337 0.233 20 50 FCGDHM N#Cc1cccc(C(=O)NNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826386808 609224488 /nfs/dbraw/zinc/22/44/88/609224488.db2.gz TYMNLBRPODQZPZ-CQSZACIVSA-N -1 3 363.337 0.233 20 50 FCGDHM O=C(Cc1ccccc1F)NNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826424095 609227519 /nfs/dbraw/zinc/22/75/19/609227519.db2.gz VQFCXHBURJDVBP-OAHLLOKOSA-N -1 3 370.344 0.429 20 50 FCGDHM O=C(Cc1ccccc1F)NNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826424095 609227521 /nfs/dbraw/zinc/22/75/21/609227521.db2.gz VQFCXHBURJDVBP-OAHLLOKOSA-N -1 3 370.344 0.429 20 50 FCGDHM Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826289714 609383067 /nfs/dbraw/zinc/38/30/67/609383067.db2.gz KFCZMIVPJOBMDF-UHFFFAOYSA-N -1 3 368.328 0.958 20 50 FCGDHM Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826289714 609383069 /nfs/dbraw/zinc/38/30/69/609383069.db2.gz KFCZMIVPJOBMDF-UHFFFAOYSA-N -1 3 368.328 0.958 20 50 FCGDHM Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826290094 609414696 /nfs/dbraw/zinc/41/46/96/609414696.db2.gz ZTMRTJZCJUBHSR-UHFFFAOYSA-N -1 3 368.328 0.958 20 50 FCGDHM Cc1ccc(F)cc1C(=O)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826290094 609414697 /nfs/dbraw/zinc/41/46/97/609414697.db2.gz ZTMRTJZCJUBHSR-UHFFFAOYSA-N -1 3 368.328 0.958 20 50 FCGDHM Cn1cc(C(=O)NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c2ccccc21 ZINC000826358944 609414802 /nfs/dbraw/zinc/41/48/02/609414802.db2.gz OOOMTAZXEAARED-UHFFFAOYSA-N -1 3 350.342 0.761 20 50 FCGDHM Cn1cc(C(=O)NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c2ccccc21 ZINC000826358944 609414805 /nfs/dbraw/zinc/41/48/05/609414805.db2.gz OOOMTAZXEAARED-UHFFFAOYSA-N -1 3 350.342 0.761 20 50 FCGDHM CCc1cnccc1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825739203 609445763 /nfs/dbraw/zinc/44/57/63/609445763.db2.gz BLJGXUIPSAUNTP-UHFFFAOYSA-N -1 3 366.385 0.968 20 50 FCGDHM CCc1cnccc1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825739203 609445765 /nfs/dbraw/zinc/44/57/65/609445765.db2.gz BLJGXUIPSAUNTP-UHFFFAOYSA-N -1 3 366.385 0.968 20 50 FCGDHM NC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826388864 609506821 /nfs/dbraw/zinc/50/68/21/609506821.db2.gz KPSACWAYQOUKNB-AWEZNQCLSA-N -1 3 369.360 0.337 20 50 FCGDHM NC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826388864 609506822 /nfs/dbraw/zinc/50/68/22/609506822.db2.gz KPSACWAYQOUKNB-AWEZNQCLSA-N -1 3 369.360 0.337 20 50 FCGDHM Cc1csc(CC(=O)NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)n1 ZINC000737452801 945070539 /nfs/dbraw/zinc/07/05/39/945070539.db2.gz MXNVCIVVBNVGKF-UHFFFAOYSA-N -1 3 367.398 0.972 20 50 FCGDHM Cc1csc(CC(=O)NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)n1 ZINC000737452801 945070548 /nfs/dbraw/zinc/07/05/48/945070548.db2.gz MXNVCIVVBNVGKF-UHFFFAOYSA-N -1 3 367.398 0.972 20 50 FCGDHM Cc1ncsc1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737504072 945087835 /nfs/dbraw/zinc/08/78/35/945087835.db2.gz UWHNSPAZKVZNSB-UHFFFAOYSA-N -1 3 358.387 0.776 20 50 FCGDHM Cc1ncsc1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737504072 945087843 /nfs/dbraw/zinc/08/78/43/945087843.db2.gz UWHNSPAZKVZNSB-UHFFFAOYSA-N -1 3 358.387 0.776 20 50 FCGDHM Cc1nn(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(C)c1Cl ZINC000737513956 945089736 /nfs/dbraw/zinc/08/97/36/945089736.db2.gz ZWYZVQOVQROWHE-UHFFFAOYSA-N -1 3 374.792 0.795 20 50 FCGDHM Cc1nn(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(C)c1Cl ZINC000737513956 945089747 /nfs/dbraw/zinc/08/97/47/945089747.db2.gz ZWYZVQOVQROWHE-UHFFFAOYSA-N -1 3 374.792 0.795 20 50 FCGDHM NC(=S)c1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737764250 945123266 /nfs/dbraw/zinc/12/32/66/945123266.db2.gz JBONNMDHSCCMOZ-UHFFFAOYSA-N -1 3 367.394 0.576 20 50 FCGDHM NC(=S)c1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737764250 945123270 /nfs/dbraw/zinc/12/32/70/945123270.db2.gz JBONNMDHSCCMOZ-UHFFFAOYSA-N -1 3 367.394 0.576 20 50 FCGDHM O=C(CNC(=O)C1CCCCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737889434 945144582 /nfs/dbraw/zinc/14/45/82/945144582.db2.gz NAXOEKDXCKOZRI-UHFFFAOYSA-N -1 3 371.401 0.324 20 50 FCGDHM O=C(CNC(=O)C1CCCCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737889434 945144588 /nfs/dbraw/zinc/14/45/88/945144588.db2.gz NAXOEKDXCKOZRI-UHFFFAOYSA-N -1 3 371.401 0.324 20 50 FCGDHM O=C(CNC(=O)c1ccco1)NNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737890788 945146840 /nfs/dbraw/zinc/14/68/40/945146840.db2.gz DIXXZOKFCVMEJU-UHFFFAOYSA-N -1 3 370.329 0.042 20 50 FCGDHM O=C(CNC(=O)c1ccco1)NNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737890788 945146846 /nfs/dbraw/zinc/14/68/46/945146846.db2.gz DIXXZOKFCVMEJU-UHFFFAOYSA-N -1 3 370.329 0.042 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@@H]1Cc2ccccc21 ZINC000737919224 945153953 /nfs/dbraw/zinc/15/39/53/945153953.db2.gz QSJDEFMJOYCGPF-OAHLLOKOSA-N -1 3 364.365 0.733 20 50 FCGDHM O=C(NCC1CCSCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738051137 945178177 /nfs/dbraw/zinc/17/81/77/945178177.db2.gz JJCVTXAQEQSCAU-UHFFFAOYSA-N -1 3 361.431 0.954 20 50 FCGDHM O=C(NCC1CCSCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738051137 945178183 /nfs/dbraw/zinc/17/81/83/945178183.db2.gz JJCVTXAQEQSCAU-UHFFFAOYSA-N -1 3 361.431 0.954 20 50 FCGDHM O=C(NCc1ccc(O)cc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738103702 945190804 /nfs/dbraw/zinc/19/08/04/945190804.db2.gz OSIZXBKWWZQKID-UHFFFAOYSA-N -1 3 353.342 0.717 20 50 FCGDHM O=C(NCc1ccc(O)cc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738103702 945190810 /nfs/dbraw/zinc/19/08/10/945190810.db2.gz OSIZXBKWWZQKID-UHFFFAOYSA-N -1 3 353.342 0.717 20 50 FCGDHM O=C(NNC(=O)N1CCc2cncnc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738135832 945227505 /nfs/dbraw/zinc/22/75/05/945227505.db2.gz CDQDJOSWDXQERQ-UHFFFAOYSA-N -1 3 365.357 0.069 20 50 FCGDHM O=C(NNC(=O)N1CCc2cncnc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738135832 945227513 /nfs/dbraw/zinc/22/75/13/945227513.db2.gz CDQDJOSWDXQERQ-UHFFFAOYSA-N -1 3 365.357 0.069 20 50 FCGDHM CC(C)(C)/C=C/C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819906069 945309316 /nfs/dbraw/zinc/30/93/16/945309316.db2.gz CBGJXMMPPDUNSF-BQYQJAHWSA-N -1 3 372.385 0.773 20 50 FCGDHM CC(C)(C)/C=C/C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819906069 945309326 /nfs/dbraw/zinc/30/93/26/945309326.db2.gz CBGJXMMPPDUNSF-BQYQJAHWSA-N -1 3 372.385 0.773 20 50 FCGDHM CC(C)(C)N1C[C@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000819914072 945311567 /nfs/dbraw/zinc/31/15/67/945311567.db2.gz JQZVQSFEKPBTKJ-GFCCVEGCSA-N -1 3 358.406 0.892 20 50 FCGDHM CC(C)(C)N1C[C@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000819914072 945311574 /nfs/dbraw/zinc/31/15/74/945311574.db2.gz JQZVQSFEKPBTKJ-GFCCVEGCSA-N -1 3 358.406 0.892 20 50 FCGDHM CC(C)n1ccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000735966826 944727186 /nfs/dbraw/zinc/72/71/86/944727186.db2.gz XGKWJGQEQDJYFJ-UHFFFAOYSA-N -1 3 369.389 0.788 20 50 FCGDHM CC(C)n1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000735966826 944727199 /nfs/dbraw/zinc/72/71/99/944727199.db2.gz XGKWJGQEQDJYFJ-UHFFFAOYSA-N -1 3 369.389 0.788 20 50 FCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NN=c1ccnc(N(C)C)[nH]1 ZINC000736167703 944751155 /nfs/dbraw/zinc/75/11/55/944751155.db2.gz HATPHYUGNHYWSA-JTQLQIEISA-N -1 3 369.389 0.633 20 50 FCGDHM C[C@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736163728 944751216 /nfs/dbraw/zinc/75/12/16/944751216.db2.gz JSLPUZOMWDTNDL-GWCFXTLKSA-N -1 3 360.374 0.212 20 50 FCGDHM C[C@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736163728 944751223 /nfs/dbraw/zinc/75/12/23/944751223.db2.gz JSLPUZOMWDTNDL-GWCFXTLKSA-N -1 3 360.374 0.212 20 50 FCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=S)NC(C)(C)C ZINC000736170480 944752846 /nfs/dbraw/zinc/75/28/46/944752846.db2.gz UZEXPJFJRQFQBW-VIFPVBQESA-N -1 3 363.447 0.928 20 50 FCGDHM C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736263818 944781691 /nfs/dbraw/zinc/78/16/91/944781691.db2.gz SRVKYTPJNAKXGI-PWSUYJOCSA-N -1 3 359.390 0.765 20 50 FCGDHM C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736263818 944781698 /nfs/dbraw/zinc/78/16/98/944781698.db2.gz SRVKYTPJNAKXGI-PWSUYJOCSA-N -1 3 359.390 0.765 20 50 FCGDHM C[C@H]1CCCN(S(=O)(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736275205 944785258 /nfs/dbraw/zinc/78/52/58/944785258.db2.gz APTIVQSRMMGYOF-JTQLQIEISA-N -1 3 365.419 0.078 20 50 FCGDHM C[C@H]1CCCN(S(=O)(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736275205 944785264 /nfs/dbraw/zinc/78/52/64/944785264.db2.gz APTIVQSRMMGYOF-JTQLQIEISA-N -1 3 365.419 0.078 20 50 FCGDHM CCC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736304289 944795014 /nfs/dbraw/zinc/79/50/14/944795014.db2.gz OHGQRFZHYLVWGT-ZDUSSCGKSA-N -1 3 371.401 0.276 20 50 FCGDHM CCC(=O)N1CCC[C@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736304289 944795022 /nfs/dbraw/zinc/79/50/22/944795022.db2.gz OHGQRFZHYLVWGT-ZDUSSCGKSA-N -1 3 371.401 0.276 20 50 FCGDHM CCCOC(=O)CCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736488964 944833027 /nfs/dbraw/zinc/83/30/27/944833027.db2.gz WGDBUXYOZYYRFI-JYRVWZFOSA-N -1 3 371.401 0.880 20 50 FCGDHM CCCOC(=O)CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736488964 944833037 /nfs/dbraw/zinc/83/30/37/944833037.db2.gz WGDBUXYOZYYRFI-JYRVWZFOSA-N -1 3 371.401 0.880 20 50 FCGDHM CCn1cc(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)cn1 ZINC000736723968 944879049 /nfs/dbraw/zinc/87/90/49/944879049.db2.gz ZWQOVMGFWRWEPS-LHHJGKSTSA-N -1 3 365.401 0.953 20 50 FCGDHM COC(=O)c1cccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000736947103 944917234 /nfs/dbraw/zinc/91/72/34/944917234.db2.gz ALSPPFOZZSWRTJ-UHFFFAOYSA-N -1 3 366.337 0.728 20 50 FCGDHM COC(=O)c1cccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000736947103 944917238 /nfs/dbraw/zinc/91/72/38/944917238.db2.gz ALSPPFOZZSWRTJ-UHFFFAOYSA-N -1 3 366.337 0.728 20 50 FCGDHM COc1ncccc1NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737163348 944974186 /nfs/dbraw/zinc/97/41/86/944974186.db2.gz VZGFYRGBDCWKIT-UHFFFAOYSA-N -1 3 354.330 0.737 20 50 FCGDHM COc1ncccc1NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737163348 944974189 /nfs/dbraw/zinc/97/41/89/944974189.db2.gz VZGFYRGBDCWKIT-UHFFFAOYSA-N -1 3 354.330 0.737 20 50 FCGDHM CS(=O)(=O)c1ccccc1NNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737174198 944976481 /nfs/dbraw/zinc/97/64/81/944976481.db2.gz UDOALMOZEQGHOT-UHFFFAOYSA-N -1 3 372.410 0.956 20 50 FCGDHM CS(=O)(=O)c1ccccc1NNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737174198 944976485 /nfs/dbraw/zinc/97/64/85/944976485.db2.gz UDOALMOZEQGHOT-UHFFFAOYSA-N -1 3 372.410 0.956 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)[C@@H]2CCN(C)C2=O)cc(-c2nnn[n-]2)n1C ZINC000737212050 944990340 /nfs/dbraw/zinc/99/03/40/944990340.db2.gz HIECZGDQEYOLPW-FFXRNRBCSA-N -1 3 368.401 0.110 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)[C@@H]2CCN(C)C2=O)cc(-c2nn[n-]n2)n1C ZINC000737212050 944990343 /nfs/dbraw/zinc/99/03/43/944990343.db2.gz HIECZGDQEYOLPW-FFXRNRBCSA-N -1 3 368.401 0.110 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NNC(=O)C2CCC2)cc(-c2nnn[n-]2)n1C ZINC000737212381 944993702 /nfs/dbraw/zinc/99/37/02/944993702.db2.gz IOUOETMLVWMRFP-WUXMJOGZSA-N -1 3 354.374 0.368 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NNC(=O)C2CCC2)cc(-c2nn[n-]n2)n1C ZINC000737212381 944993703 /nfs/dbraw/zinc/99/37/03/944993703.db2.gz IOUOETMLVWMRFP-WUXMJOGZSA-N -1 3 354.374 0.368 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CC(n3ccnc3)C2)cc(-c2nn[n-]n2)n1C ZINC000737213634 945005072 /nfs/dbraw/zinc/00/50/72/945005072.db2.gz VIINYDDFJSQLMR-WLRTZDKTSA-N -1 3 363.385 0.701 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)Cc1ccncc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374967 945439200 /nfs/dbraw/zinc/43/92/00/945439200.db2.gz UTVYOUYBKAEBEN-NSHDSACASA-N -1 3 366.385 0.896 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)Cc1ccncc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374967 945439208 /nfs/dbraw/zinc/43/92/08/945439208.db2.gz UTVYOUYBKAEBEN-NSHDSACASA-N -1 3 366.385 0.896 20 50 FCGDHM CCC/C(C)=C/C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821008794 945611264 /nfs/dbraw/zinc/61/12/64/945611264.db2.gz LNTWPQZATHCSOL-PKNBQFBNSA-N -1 3 372.385 0.917 20 50 FCGDHM CCC/C(C)=C/C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821008794 945611269 /nfs/dbraw/zinc/61/12/69/945611269.db2.gz LNTWPQZATHCSOL-PKNBQFBNSA-N -1 3 372.385 0.917 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C[C@@H]1CCCCO1 ZINC000821593826 945732837 /nfs/dbraw/zinc/73/28/37/945732837.db2.gz LVPZSBGFFTXJQN-AWEZNQCLSA-N -1 3 373.417 0.129 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C[C@@H]1CCCCO1 ZINC000821593826 945732842 /nfs/dbraw/zinc/73/28/42/945732842.db2.gz LVPZSBGFFTXJQN-AWEZNQCLSA-N -1 3 373.417 0.129 20 50 FCGDHM COc1ccc(NCC(=O)NNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821835441 945883167 /nfs/dbraw/zinc/88/31/67/945883167.db2.gz KZXYNZYYWDWWSS-UHFFFAOYSA-N -1 3 356.346 0.077 20 50 FCGDHM COc1ccc(NCC(=O)NNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821835441 945883175 /nfs/dbraw/zinc/88/31/75/945883175.db2.gz KZXYNZYYWDWWSS-UHFFFAOYSA-N -1 3 356.346 0.077 20 50 FCGDHM CS(=O)(=O)N1CCC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821932814 945906597 /nfs/dbraw/zinc/90/65/97/945906597.db2.gz RXQSMVMJZRXWQD-UHFFFAOYSA-N -1 3 363.403 0.008 20 50 FCGDHM CS(=O)(=O)N1CCC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821932814 945906600 /nfs/dbraw/zinc/90/66/00/945906600.db2.gz RXQSMVMJZRXWQD-UHFFFAOYSA-N -1 3 363.403 0.008 20 50 FCGDHM CS/C=C\C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821956608 945910153 /nfs/dbraw/zinc/91/01/53/945910153.db2.gz SPWABTXUTAPCGF-SREVYHEPSA-N -1 3 362.371 0.048 20 50 FCGDHM CS/C=C\C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821956608 945910161 /nfs/dbraw/zinc/91/01/61/945910161.db2.gz SPWABTXUTAPCGF-SREVYHEPSA-N -1 3 362.371 0.048 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCC(=O)N2CCC2)cc(-c2nnn[n-]2)n1C ZINC000822026988 945928882 /nfs/dbraw/zinc/92/88/82/945928882.db2.gz CGUSGKAMMAYSCE-WUXMJOGZSA-N -1 3 355.358 0.196 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCC(=O)N2CCC2)cc(-c2nn[n-]n2)n1C ZINC000822026988 945928890 /nfs/dbraw/zinc/92/88/90/945928890.db2.gz CGUSGKAMMAYSCE-WUXMJOGZSA-N -1 3 355.358 0.196 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)C(C)(C)C)cc(-c2nnn[n-]2)n1C ZINC000822027381 945931494 /nfs/dbraw/zinc/93/14/94/945931494.db2.gz GUQKDKDAUISVBG-NFEOESJKSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)C(C)(C)C)cc(-c2nn[n-]n2)n1C ZINC000822027381 945931503 /nfs/dbraw/zinc/93/15/03/945931503.db2.gz GUQKDKDAUISVBG-NFEOESJKSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)C(=O)NC2CC2)cc(-c2nnn[n-]2)n1C ZINC000822027834 945936989 /nfs/dbraw/zinc/93/69/89/945936989.db2.gz JYALEZAQHMMJBR-OGGBREFQSA-N -1 3 369.385 0.631 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)C(=O)NC2CC2)cc(-c2nn[n-]n2)n1C ZINC000822027834 945936997 /nfs/dbraw/zinc/93/69/97/945936997.db2.gz JYALEZAQHMMJBR-OGGBREFQSA-N -1 3 369.385 0.631 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC2(O)CCOCC2)cc(-c2nnn[n-]2)n1C ZINC000822029408 945954857 /nfs/dbraw/zinc/95/48/57/945954857.db2.gz XZUPEQBOUSPUOF-NTUHNPAUSA-N -1 3 371.401 0.078 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC2(O)CCOCC2)cc(-c2nn[n-]n2)n1C ZINC000822029408 945954862 /nfs/dbraw/zinc/95/48/62/945954862.db2.gz XZUPEQBOUSPUOF-NTUHNPAUSA-N -1 3 371.401 0.078 20 50 FCGDHM Cc1cc(CN(C)CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)no1 ZINC000822200008 945984673 /nfs/dbraw/zinc/98/46/73/945984673.db2.gz QMONDROYUYMTHP-UHFFFAOYSA-N -1 3 370.373 0.056 20 50 FCGDHM Cc1cc(CN(C)CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)no1 ZINC000822200008 945984679 /nfs/dbraw/zinc/98/46/79/945984679.db2.gz QMONDROYUYMTHP-UHFFFAOYSA-N -1 3 370.373 0.056 20 50 FCGDHM Cc1nnc([C@H](C)NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)o1 ZINC000822510245 946107739 /nfs/dbraw/zinc/10/77/39/946107739.db2.gz KGALDYHORKBVQG-QOMRTYFESA-N -1 3 367.373 0.989 20 50 FCGDHM Cc1nnc([C@H](C)NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)o1 ZINC000822510245 946107746 /nfs/dbraw/zinc/10/77/46/946107746.db2.gz KGALDYHORKBVQG-QOMRTYFESA-N -1 3 367.373 0.989 20 50 FCGDHM Cc1occc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822553383 946123090 /nfs/dbraw/zinc/12/30/90/946123090.db2.gz KLALCKTVZDAUNL-UHFFFAOYSA-N -1 3 370.325 0.386 20 50 FCGDHM Cc1occc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822553383 946123093 /nfs/dbraw/zinc/12/30/93/946123093.db2.gz KLALCKTVZDAUNL-UHFFFAOYSA-N -1 3 370.325 0.386 20 50 FCGDHM Cn1cccc1C(=O)NNC(=O)C(C)(C)Oc1ccc(-c2nn[n-]n2)cc1 ZINC000822689552 946158851 /nfs/dbraw/zinc/15/88/51/946158851.db2.gz MBTHNETVLVPCHH-UHFFFAOYSA-N -1 3 369.385 0.824 20 50 FCGDHM Cn1nc2c(c1C(=O)NNC(=O)c1ccc(-c3nnn[n-]3)cc1)CCCC2 ZINC000822704484 946161745 /nfs/dbraw/zinc/16/17/45/946161745.db2.gz LTZMZPSNNVCMCY-UHFFFAOYSA-N -1 3 366.385 0.554 20 50 FCGDHM Cn1nc2c(c1C(=O)NNC(=O)c1ccc(-c3nn[n-]n3)cc1)CCCC2 ZINC000822704484 946161754 /nfs/dbraw/zinc/16/17/54/946161754.db2.gz LTZMZPSNNVCMCY-UHFFFAOYSA-N -1 3 366.385 0.554 20 50 FCGDHM O=C(CCOCC1CC1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822974649 946241437 /nfs/dbraw/zinc/24/14/37/946241437.db2.gz WVPUPIKSMLHKPM-UHFFFAOYSA-N -1 3 360.374 0.210 20 50 FCGDHM O=C(CNC(=O)c1ccco1)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823005327 946261876 /nfs/dbraw/zinc/26/18/76/946261876.db2.gz MEMHMASCFCAETF-UHFFFAOYSA-N -1 3 357.305 0.479 20 50 FCGDHM O=C(CNC(=O)c1ccco1)NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823005327 946261881 /nfs/dbraw/zinc/26/18/81/946261881.db2.gz MEMHMASCFCAETF-UHFFFAOYSA-N -1 3 357.305 0.479 20 50 FCGDHM O=C(CNC(=O)c1cccnc1)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823005329 946262098 /nfs/dbraw/zinc/26/20/98/946262098.db2.gz MJOVZDVDCXYWNX-UHFFFAOYSA-N -1 3 356.371 0.203 20 50 FCGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNc1ccncc1Cl ZINC000823005598 946265215 /nfs/dbraw/zinc/26/52/15/946265215.db2.gz YIHFUKBPVGJBDI-UHFFFAOYSA-N -1 3 372.776 0.210 20 50 FCGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNc1ccncc1Cl ZINC000823005598 946265228 /nfs/dbraw/zinc/26/52/28/946265228.db2.gz YIHFUKBPVGJBDI-UHFFFAOYSA-N -1 3 372.776 0.210 20 50 FCGDHM O=C(COC(=O)C1CCCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018573 946272232 /nfs/dbraw/zinc/27/22/32/946272232.db2.gz SCEYPDHTFSMZDH-UHFFFAOYSA-N -1 3 358.358 0.361 20 50 FCGDHM O=C(COC(=O)C1CCCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018573 946272243 /nfs/dbraw/zinc/27/22/43/946272243.db2.gz SCEYPDHTFSMZDH-UHFFFAOYSA-N -1 3 358.358 0.361 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@@H]1CC12CCCC2 ZINC000823036377 946283765 /nfs/dbraw/zinc/28/37/65/946283765.db2.gz AOHIIIQSWHKZOT-ZDUSSCGKSA-N -1 3 356.386 0.973 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=S)Nc1ccccn1 ZINC000823037201 946287132 /nfs/dbraw/zinc/28/71/32/946287132.db2.gz TVZGEKPNRSVUPS-UHFFFAOYSA-N -1 3 370.398 0.658 20 50 FCGDHM O=C(CSc1ncccn1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823070608 946302826 /nfs/dbraw/zinc/30/28/26/946302826.db2.gz GZJXOECGPVFXHM-UHFFFAOYSA-N -1 3 356.371 0.210 20 50 FCGDHM O=C(CSc1ncccn1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823070608 946302838 /nfs/dbraw/zinc/30/28/38/946302838.db2.gz GZJXOECGPVFXHM-UHFFFAOYSA-N -1 3 356.371 0.210 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCCc2c[nH]nc21 ZINC000823277009 946393899 /nfs/dbraw/zinc/39/38/99/946393899.db2.gz BNEQEJVPKPTPEO-GFCCVEGCSA-N -1 3 367.373 0.611 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCc2c[nH]nc2C1 ZINC000823277527 946404728 /nfs/dbraw/zinc/40/47/28/946404728.db2.gz OTKRHXHIKVBXHM-GFCCVEGCSA-N -1 3 367.373 0.091 20 50 FCGDHM C[C@@H]1CC[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824908916 946988466 /nfs/dbraw/zinc/98/84/66/946988466.db2.gz ROSLNYJTGIKMPD-MFKMUULPSA-N -1 3 372.385 0.607 20 50 FCGDHM C[C@@H]1CC[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824908916 946988472 /nfs/dbraw/zinc/98/84/72/946988472.db2.gz ROSLNYJTGIKMPD-MFKMUULPSA-N -1 3 372.385 0.607 20 50 FCGDHM COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000826160602 947506242 /nfs/dbraw/zinc/50/62/42/947506242.db2.gz YVXCYVNFDPAAPQ-SNVBAGLBSA-N -1 3 363.378 0.379 20 50 FCGDHM COCCO[C@H](C)C(=O)NNC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000826160602 947506257 /nfs/dbraw/zinc/50/62/57/947506257.db2.gz YVXCYVNFDPAAPQ-SNVBAGLBSA-N -1 3 363.378 0.379 20 50 FCGDHM NC(=O)c1ccc(OCCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826393190 607354331 /nfs/dbraw/zinc/35/43/31/607354331.db2.gz GNWXQMVDWCAKTD-UHFFFAOYSA-N -1 3 367.369 0.878 20 50 FCGDHM N#Cc1ccc(C(=O)NCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826384238 607464995 /nfs/dbraw/zinc/46/49/95/607464995.db2.gz MPCDEPBXBQPIOP-UHFFFAOYSA-N -1 3 362.353 0.611 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC(C)(C)CCO)cc(-c2nnn[n-]2)n1C ZINC000826235172 607512259 /nfs/dbraw/zinc/51/22/59/607512259.db2.gz DOGLAWFWQKFIEA-QPEQYQDCSA-N -1 3 357.418 0.945 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC(C)(C)CCO)cc(-c2nn[n-]n2)n1C ZINC000826235172 607512261 /nfs/dbraw/zinc/51/22/61/607512261.db2.gz DOGLAWFWQKFIEA-QPEQYQDCSA-N -1 3 357.418 0.945 20 50 FCGDHM O=C(NNC(=O)[C@@H]1CCn2cncc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444412 607570916 /nfs/dbraw/zinc/57/09/16/607570916.db2.gz FNILDUGTTQSPER-GFCCVEGCSA-N -1 3 352.358 0.087 20 50 FCGDHM O=C(NNC(=O)[C@@H]1CCn2cncc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444412 607570918 /nfs/dbraw/zinc/57/09/18/607570918.db2.gz FNILDUGTTQSPER-GFCCVEGCSA-N -1 3 352.358 0.087 20 50 FCGDHM COc1ccc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1OC ZINC000826187290 607681431 /nfs/dbraw/zinc/68/14/31/607681431.db2.gz JXKIBKSDBQJOOD-UHFFFAOYSA-N -1 3 357.330 0.287 20 50 FCGDHM COc1ccc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1OC ZINC000826187290 607681433 /nfs/dbraw/zinc/68/14/33/607681433.db2.gz JXKIBKSDBQJOOD-UHFFFAOYSA-N -1 3 357.330 0.287 20 50 FCGDHM NS(=O)(=O)c1ccc(CC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826394552 607713864 /nfs/dbraw/zinc/71/38/64/607713864.db2.gz OMJKCUWQKJKQFA-UHFFFAOYSA-N -1 3 373.398 0.200 20 50 FCGDHM NS(=O)(=O)c1ccc(CC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826394552 607713866 /nfs/dbraw/zinc/71/38/66/607713866.db2.gz OMJKCUWQKJKQFA-UHFFFAOYSA-N -1 3 373.398 0.200 20 50 FCGDHM NC(=O)N[C@@H](Cc1ccccc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826392184 607719620 /nfs/dbraw/zinc/71/96/20/607719620.db2.gz PTNLLYDVIDNEBZ-AWEZNQCLSA-N -1 3 366.385 0.589 20 50 FCGDHM NC(=O)N[C@@H](Cc1ccccc1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826392184 607719622 /nfs/dbraw/zinc/71/96/22/607719622.db2.gz PTNLLYDVIDNEBZ-AWEZNQCLSA-N -1 3 366.385 0.589 20 50 FCGDHM CCc1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)[nH]c(C)c1C(N)=O ZINC000825687612 607727442 /nfs/dbraw/zinc/72/74/42/607727442.db2.gz KDEYJNTUDHWUPU-UHFFFAOYSA-N -1 3 354.374 0.921 20 50 FCGDHM CCc1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)[nH]c(C)c1C(N)=O ZINC000825687612 607727444 /nfs/dbraw/zinc/72/74/44/607727444.db2.gz KDEYJNTUDHWUPU-UHFFFAOYSA-N -1 3 354.374 0.921 20 50 FCGDHM O=C(Cn1ccc2ccccc21)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826424538 607727763 /nfs/dbraw/zinc/72/77/63/607727763.db2.gz QVFRMTNIMMSNJU-UHFFFAOYSA-N -1 3 350.342 0.611 20 50 FCGDHM O=C(Cn1ccc2ccccc21)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826424538 607727765 /nfs/dbraw/zinc/72/77/65/607727765.db2.gz QVFRMTNIMMSNJU-UHFFFAOYSA-N -1 3 350.342 0.611 20 50 FCGDHM C[C@]12CCC(=O)N1[C@H](C(=O)NNc1cccc(-c3nnn[n-]3)c1)CS2 ZINC000824851938 607731496 /nfs/dbraw/zinc/73/14/96/607731496.db2.gz FGAADGLPNZEZCU-NHYWBVRUSA-N -1 3 359.415 0.764 20 50 FCGDHM C[C@]12CCC(=O)N1[C@H](C(=O)NNc1cccc(-c3nn[n-]n3)c1)CS2 ZINC000824851938 607731497 /nfs/dbraw/zinc/73/14/97/607731497.db2.gz FGAADGLPNZEZCU-NHYWBVRUSA-N -1 3 359.415 0.764 20 50 FCGDHM CC(C)(C)C(=O)Cn1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)nn1 ZINC000824064742 607732385 /nfs/dbraw/zinc/73/23/85/607732385.db2.gz KXCYYHJRVXYBLR-UHFFFAOYSA-N -1 3 369.389 0.830 20 50 FCGDHM CC(C)(C)C(=O)Cn1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)nn1 ZINC000824064742 607732386 /nfs/dbraw/zinc/73/23/86/607732386.db2.gz KXCYYHJRVXYBLR-UHFFFAOYSA-N -1 3 369.389 0.830 20 50 FCGDHM C[C@H](CN1C[C@@H](C)O[C@@H](C)C1)C(=O)NN=Cc1cccn1CC(=O)[O-] ZINC000833623311 605096938 /nfs/dbraw/zinc/09/69/38/605096938.db2.gz JYGMYSMATZUYLK-MCIONIFRSA-N -1 3 350.419 0.768 20 50 FCGDHM Cn1cnc2cc(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000826364753 607794941 /nfs/dbraw/zinc/79/49/41/607794941.db2.gz JMCGTPQFTAOJMD-UHFFFAOYSA-N -1 3 362.353 0.828 20 50 FCGDHM Cn1cnc2cc(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000826364753 607794942 /nfs/dbraw/zinc/79/49/42/607794942.db2.gz JMCGTPQFTAOJMD-UHFFFAOYSA-N -1 3 362.353 0.828 20 50 FCGDHM Cn1nc(C(=O)NN=Cc2ccccc2-c2nnn[n-]2)c2ccccc2c1=O ZINC000826365810 607882890 /nfs/dbraw/zinc/88/28/90/607882890.db2.gz DTFYFVYPFZSVHW-UHFFFAOYSA-N -1 3 374.364 0.878 20 50 FCGDHM Cn1nc(C(=O)NN=Cc2ccccc2-c2nn[n-]n2)c2ccccc2c1=O ZINC000826365810 607882891 /nfs/dbraw/zinc/88/28/91/607882891.db2.gz DTFYFVYPFZSVHW-UHFFFAOYSA-N -1 3 374.364 0.878 20 50 FCGDHM O=C(CNC(=O)c1cccs1)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826412511 607888194 /nfs/dbraw/zinc/88/81/94/607888194.db2.gz QWYZZNXUYPGFKD-UHFFFAOYSA-N -1 3 355.383 0.808 20 50 FCGDHM O=C(CNC(=O)c1cccs1)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826412511 607888195 /nfs/dbraw/zinc/88/81/95/607888195.db2.gz QWYZZNXUYPGFKD-UHFFFAOYSA-N -1 3 355.383 0.808 20 50 FCGDHM Cc1cc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)ncn1 ZINC000826267179 607939994 /nfs/dbraw/zinc/93/99/94/607939994.db2.gz VMQJZHQJCIWGFC-UHFFFAOYSA-N -1 3 353.346 0.109 20 50 FCGDHM Cc1cc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)ncn1 ZINC000826267179 607939995 /nfs/dbraw/zinc/93/99/95/607939995.db2.gz VMQJZHQJCIWGFC-UHFFFAOYSA-N -1 3 353.346 0.109 20 50 FCGDHM CCC[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825253458 607993046 /nfs/dbraw/zinc/99/30/46/607993046.db2.gz MVVLXXDXBWWDDX-AWEZNQCLSA-N -1 3 373.417 0.129 20 50 FCGDHM CCC[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825253458 607993047 /nfs/dbraw/zinc/99/30/47/607993047.db2.gz MVVLXXDXBWWDDX-AWEZNQCLSA-N -1 3 373.417 0.129 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@@H](CCO)C2)cc(-c2nnn[n-]2)n1C ZINC000826235950 607995029 /nfs/dbraw/zinc/99/50/29/607995029.db2.gz VCSNCIWGMLLWSJ-FUEWVNAISA-N -1 3 355.402 0.652 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@@H](CCO)C2)cc(-c2nn[n-]n2)n1C ZINC000826235950 607995030 /nfs/dbraw/zinc/99/50/30/607995030.db2.gz VCSNCIWGMLLWSJ-FUEWVNAISA-N -1 3 355.402 0.652 20 50 FCGDHM Cc1cncc(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826319660 608023060 /nfs/dbraw/zinc/02/30/60/608023060.db2.gz MIEQUJLNAMOVOU-UHFFFAOYSA-N -1 3 352.358 0.714 20 50 FCGDHM Cc1cncc(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826319660 608023061 /nfs/dbraw/zinc/02/30/61/608023061.db2.gz MIEQUJLNAMOVOU-UHFFFAOYSA-N -1 3 352.358 0.714 20 50 FCGDHM Cc1cncc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826319703 608023075 /nfs/dbraw/zinc/02/30/75/608023075.db2.gz OMAITEMQWCXRFZ-UHFFFAOYSA-N -1 3 352.358 0.714 20 50 FCGDHM Cc1cncc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826319703 608023076 /nfs/dbraw/zinc/02/30/76/608023076.db2.gz OMAITEMQWCXRFZ-UHFFFAOYSA-N -1 3 352.358 0.714 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(C)(C)OC2=O)cc(-c2nnn[n-]2)n1C ZINC000826235520 608075552 /nfs/dbraw/zinc/07/55/52/608075552.db2.gz LKXDGSIMUJKATA-DKRCXCIFSA-N -1 3 369.385 0.631 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(C)(C)OC2=O)cc(-c2nn[n-]n2)n1C ZINC000826235520 608075553 /nfs/dbraw/zinc/07/55/53/608075553.db2.gz LKXDGSIMUJKATA-DKRCXCIFSA-N -1 3 369.385 0.631 20 50 FCGDHM C[C@@]1(C#N)CCCN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824779616 608125933 /nfs/dbraw/zinc/12/59/33/608125933.db2.gz WJPKKXCQGSTMNS-KRWDZBQOSA-N -1 3 368.401 0.253 20 50 FCGDHM C[C@@]1(C#N)CCCN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824779616 608125934 /nfs/dbraw/zinc/12/59/34/608125934.db2.gz WJPKKXCQGSTMNS-KRWDZBQOSA-N -1 3 368.401 0.253 20 50 FCGDHM C[C@H]1CC(NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H](C)O1 ZINC000824894322 608401674 /nfs/dbraw/zinc/40/16/74/608401674.db2.gz YFKDBTSGZGKSRL-UWVGGRQHSA-N -1 3 359.390 0.767 20 50 FCGDHM C[C@H]1CC(NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC000824894322 608401675 /nfs/dbraw/zinc/40/16/75/608401675.db2.gz YFKDBTSGZGKSRL-UWVGGRQHSA-N -1 3 359.390 0.767 20 50 FCGDHM CO[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826145647 608413575 /nfs/dbraw/zinc/41/35/75/608413575.db2.gz KIFQJSMMVGMLLM-QWHCGFSZSA-N -1 3 359.390 0.626 20 50 FCGDHM CO[C@@H]1CCC[C@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826145647 608413577 /nfs/dbraw/zinc/41/35/77/608413577.db2.gz KIFQJSMMVGMLLM-QWHCGFSZSA-N -1 3 359.390 0.626 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CO)CC(C)C)cc(-c2nnn[n-]2)n1C ZINC000826235550 608472556 /nfs/dbraw/zinc/47/25/56/608472556.db2.gz LSDJNFKUBZPHLQ-CNTYAEFGSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CO)CC(C)C)cc(-c2nn[n-]n2)n1C ZINC000826235550 608472558 /nfs/dbraw/zinc/47/25/58/608472558.db2.gz LSDJNFKUBZPHLQ-CNTYAEFGSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CO)CC(C)C)cc(-c2nnn[n-]2)n1C ZINC000826235549 608472688 /nfs/dbraw/zinc/47/26/88/608472688.db2.gz LSDJNFKUBZPHLQ-BLXFFLACSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CO)CC(C)C)cc(-c2nn[n-]n2)n1C ZINC000826235549 608472690 /nfs/dbraw/zinc/47/26/90/608472690.db2.gz LSDJNFKUBZPHLQ-BLXFFLACSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2C[C@H](CO)OC[C@@H]2C)cc(-c2nnn[n-]2)n1C ZINC000826235482 608620579 /nfs/dbraw/zinc/62/05/79/608620579.db2.gz KSDODYXSMAXPQN-XCEFANKYSA-N -1 3 371.401 0.029 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2C[C@H](CO)OC[C@@H]2C)cc(-c2nn[n-]n2)n1C ZINC000826235482 608620581 /nfs/dbraw/zinc/62/05/81/608620581.db2.gz KSDODYXSMAXPQN-XCEFANKYSA-N -1 3 371.401 0.029 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H]([C@H](C)O)C2)cc(-c2nnn[n-]2)n1C ZINC000826236072 609264431 /nfs/dbraw/zinc/26/44/31/609264431.db2.gz XWOOYIZUJFYIHL-OSQPMKLMSA-N -1 3 355.402 0.650 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H]([C@H](C)O)C2)cc(-c2nn[n-]n2)n1C ZINC000826236072 609264432 /nfs/dbraw/zinc/26/44/32/609264432.db2.gz XWOOYIZUJFYIHL-OSQPMKLMSA-N -1 3 355.402 0.650 20 50 FCGDHM CN(C)CC(=O)NN=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825854458 609305466 /nfs/dbraw/zinc/30/54/66/609305466.db2.gz BHGNDFGYNDBQGK-UHFFFAOYSA-N -1 3 353.390 0.279 20 50 FCGDHM N#CCC1CCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826381013 609404553 /nfs/dbraw/zinc/40/45/53/609404553.db2.gz UWEBRDJTWRQDKX-UHFFFAOYSA-N -1 3 354.374 0.847 20 50 FCGDHM N#CCC1CCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826381013 609404556 /nfs/dbraw/zinc/40/45/56/609404556.db2.gz UWEBRDJTWRQDKX-UHFFFAOYSA-N -1 3 354.374 0.847 20 50 FCGDHM NC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826389122 609506798 /nfs/dbraw/zinc/50/67/98/609506798.db2.gz QFHUCZIWHSDVCS-AWEZNQCLSA-N -1 3 369.360 0.337 20 50 FCGDHM NC(=O)[C@H](Cc1ccc(F)cc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826389122 609506799 /nfs/dbraw/zinc/50/67/99/609506799.db2.gz QFHUCZIWHSDVCS-AWEZNQCLSA-N -1 3 369.360 0.337 20 50 FCGDHM CC[C@@H]1C[C@H](C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825183911 609533997 /nfs/dbraw/zinc/53/39/97/609533997.db2.gz PZFDXYFNKWRGDG-CHWSQXEVSA-N -1 3 374.401 0.598 20 50 FCGDHM Cc1ncsc1C(=O)NN[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737500106 945085172 /nfs/dbraw/zinc/08/51/72/945085172.db2.gz OAOGBHZECDTASH-SNVBAGLBSA-N -1 3 358.387 0.093 20 50 FCGDHM Cc1ncsc1C(=O)NN[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737500106 945085181 /nfs/dbraw/zinc/08/51/81/945085181.db2.gz OAOGBHZECDTASH-SNVBAGLBSA-N -1 3 358.387 0.093 20 50 FCGDHM Cc1noc(CCCNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000737535311 945091660 /nfs/dbraw/zinc/09/16/60/945091660.db2.gz SVVLUSDQYWPVMS-UHFFFAOYSA-N -1 3 371.361 0.135 20 50 FCGDHM Cc1noc(CCCNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000737535311 945091674 /nfs/dbraw/zinc/09/16/74/945091674.db2.gz SVVLUSDQYWPVMS-UHFFFAOYSA-N -1 3 371.361 0.135 20 50 FCGDHM Cn1cccc1C(=O)NNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000737612036 945101850 /nfs/dbraw/zinc/10/18/50/945101850.db2.gz HAPOUSNWQJBOMQ-UHFFFAOYSA-N -1 3 357.399 0.759 20 50 FCGDHM Cn1cccc1C(=O)NNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000737612036 945101855 /nfs/dbraw/zinc/10/18/55/945101855.db2.gz HAPOUSNWQJBOMQ-UHFFFAOYSA-N -1 3 357.399 0.759 20 50 FCGDHM N#Cc1cccc(OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737730719 945119094 /nfs/dbraw/zinc/11/90/94/945119094.db2.gz QMEZDYROZNCDRD-UHFFFAOYSA-N -1 3 363.337 0.578 20 50 FCGDHM N#Cc1cccc(OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737730719 945119103 /nfs/dbraw/zinc/11/91/03/945119103.db2.gz QMEZDYROZNCDRD-UHFFFAOYSA-N -1 3 363.337 0.578 20 50 FCGDHM O=C(CCc1ccccc1O)NNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737856890 945138998 /nfs/dbraw/zinc/13/89/98/945138998.db2.gz GXDBNTVCFOLHAF-UHFFFAOYSA-N -1 3 366.381 0.895 20 50 FCGDHM O=C(CCc1ccccc1O)NNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737856890 945139000 /nfs/dbraw/zinc/13/90/00/945139000.db2.gz GXDBNTVCFOLHAF-UHFFFAOYSA-N -1 3 366.381 0.895 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)c1cc(Cl)c[nH]1 ZINC000737918787 945151896 /nfs/dbraw/zinc/15/18/96/945151896.db2.gz LFYSCVZRYYTPBE-UHFFFAOYSA-N -1 3 361.749 0.688 20 50 FCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)N[C@@H]1CC=CCC1 ZINC000737932323 945159883 /nfs/dbraw/zinc/15/98/83/945159883.db2.gz XOQTYJXJZBRCBO-LLVKDONJSA-N -1 3 357.374 0.685 20 50 FCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)N[C@@H]1CC=CCC1 ZINC000737932323 945159886 /nfs/dbraw/zinc/15/98/86/945159886.db2.gz XOQTYJXJZBRCBO-LLVKDONJSA-N -1 3 357.374 0.685 20 50 FCGDHM O=C(C=C1CC(=O)NC(=S)N1)NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737954719 945166321 /nfs/dbraw/zinc/16/63/21/945166321.db2.gz QOIUHQWHHKXIMI-UHFFFAOYSA-N -1 3 356.371 0.344 20 50 FCGDHM O=C(C=C1CC(=O)NC(=S)N1)NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737954719 945166332 /nfs/dbraw/zinc/16/63/32/945166332.db2.gz QOIUHQWHHKXIMI-UHFFFAOYSA-N -1 3 356.371 0.344 20 50 FCGDHM O=C(NCc1cccc(CO)c1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738117851 945192672 /nfs/dbraw/zinc/19/26/72/945192672.db2.gz XBWFCMUSZYNALK-UHFFFAOYSA-N -1 3 367.369 0.503 20 50 FCGDHM O=C(NCc1cccc(CO)c1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738117851 945192678 /nfs/dbraw/zinc/19/26/78/945192678.db2.gz XBWFCMUSZYNALK-UHFFFAOYSA-N -1 3 367.369 0.503 20 50 FCGDHM O=C(NNC(=O)[C@H]1CSCCS1)c1cccc(-c2nnn[n-]2)c1 ZINC000738130984 945212597 /nfs/dbraw/zinc/21/25/97/945212597.db2.gz YRSUNEHJSKZITN-SNVBAGLBSA-N -1 3 350.429 0.476 20 50 FCGDHM O=C(NNC(=O)[C@H]1CSCCS1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130984 945212606 /nfs/dbraw/zinc/21/26/06/945212606.db2.gz YRSUNEHJSKZITN-SNVBAGLBSA-N -1 3 350.429 0.476 20 50 FCGDHM O=C(NNC(=O)c1ccccc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738133973 945214634 /nfs/dbraw/zinc/21/46/34/945214634.db2.gz AVXBYIGAXLSSDE-UHFFFAOYSA-N -1 3 366.341 0.156 20 50 FCGDHM O=C(NNC(=O)c1ccccc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738133973 945214641 /nfs/dbraw/zinc/21/46/41/945214641.db2.gz AVXBYIGAXLSSDE-UHFFFAOYSA-N -1 3 366.341 0.156 20 50 FCGDHM CC(C)(C)CCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819906403 945309549 /nfs/dbraw/zinc/30/95/49/945309549.db2.gz FXLFKUHJJOFNNN-UHFFFAOYSA-N -1 3 374.401 0.997 20 50 FCGDHM CC(C)(C)CCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819906403 945309556 /nfs/dbraw/zinc/30/95/56/945309556.db2.gz FXLFKUHJJOFNNN-UHFFFAOYSA-N -1 3 374.401 0.997 20 50 FCGDHM C#Cc1ccc(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000735390378 944645025 /nfs/dbraw/zinc/64/50/25/944645025.db2.gz YPIMDEFIAGLNDF-UHFFFAOYSA-N -1 3 363.337 0.083 20 50 FCGDHM C[C@@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)[C@H](C)N1CCOCC1 ZINC000736119827 944743300 /nfs/dbraw/zinc/74/33/00/944743300.db2.gz UYFQGNCWWMOVRZ-NEPJUHHUSA-N -1 3 360.422 0.602 20 50 FCGDHM C[C@@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)[C@H](C)N1CCOCC1 ZINC000736119827 944743309 /nfs/dbraw/zinc/74/33/09/944743309.db2.gz UYFQGNCWWMOVRZ-NEPJUHHUSA-N -1 3 360.422 0.602 20 50 FCGDHM C[C@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736164354 944750978 /nfs/dbraw/zinc/75/09/78/944750978.db2.gz NCKQREANLPMTNB-SMDDNHRTSA-N -1 3 374.401 0.602 20 50 FCGDHM C[C@H](OC[C@H]1CCCCO1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736164354 944750986 /nfs/dbraw/zinc/75/09/86/944750986.db2.gz NCKQREANLPMTNB-SMDDNHRTSA-N -1 3 374.401 0.602 20 50 FCGDHM C[C@H]1CN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC(C)(C)O1 ZINC000736280847 944783540 /nfs/dbraw/zinc/78/35/40/944783540.db2.gz PLXWPDUUTZOOML-JTQLQIEISA-N -1 3 359.390 0.720 20 50 FCGDHM C[C@H]1CN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC(C)(C)O1 ZINC000736280847 944783547 /nfs/dbraw/zinc/78/35/47/944783547.db2.gz PLXWPDUUTZOOML-JTQLQIEISA-N -1 3 359.390 0.720 20 50 FCGDHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736325430 944801599 /nfs/dbraw/zinc/80/15/99/944801599.db2.gz JJVVXEXDCYYXAL-UWVGGRQHSA-N -1 3 374.405 0.114 20 50 FCGDHM CC[C@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736325430 944801607 /nfs/dbraw/zinc/80/16/07/944801607.db2.gz JJVVXEXDCYYXAL-UWVGGRQHSA-N -1 3 374.405 0.114 20 50 FCGDHM CCOC(=O)CN(C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736597002 944850941 /nfs/dbraw/zinc/85/09/41/944850941.db2.gz XZMJCBCDKCRIHA-SDQBBNPISA-N -1 3 357.374 0.442 20 50 FCGDHM CCOC(=O)CN(C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736597002 944850949 /nfs/dbraw/zinc/85/09/49/944850949.db2.gz XZMJCBCDKCRIHA-SDQBBNPISA-N -1 3 357.374 0.442 20 50 FCGDHM CCOc1ncccc1C(=O)[N-]NC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736655631 944864665 /nfs/dbraw/zinc/86/46/65/944864665.db2.gz VLYRKEUQKMQPPM-UHFFFAOYSA-N -1 3 353.342 0.735 20 50 FCGDHM CN(NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736842458 944899149 /nfs/dbraw/zinc/89/91/49/944899149.db2.gz SFRNOUIYGONPCN-UHFFFAOYSA-N -1 3 352.358 0.862 20 50 FCGDHM CN(NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736842458 944899150 /nfs/dbraw/zinc/89/91/50/944899150.db2.gz SFRNOUIYGONPCN-UHFFFAOYSA-N -1 3 352.358 0.862 20 50 FCGDHM COc1ccccc1C(=O)NNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737137428 944965983 /nfs/dbraw/zinc/96/59/83/944965983.db2.gz HVSWHXPJAJYUMP-UHFFFAOYSA-N -1 3 352.354 0.879 20 50 FCGDHM COc1ccccc1C(=O)NNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737137428 944965989 /nfs/dbraw/zinc/96/59/89/944965989.db2.gz HVSWHXPJAJYUMP-UHFFFAOYSA-N -1 3 352.354 0.879 20 50 FCGDHM COc1ccccc1C(=O)NN[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737137685 944966430 /nfs/dbraw/zinc/96/64/30/944966430.db2.gz ICIZSDOQBMVJTB-CQSZACIVSA-N -1 3 367.369 0.336 20 50 FCGDHM COc1ccccc1C(=O)NN[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737137685 944966436 /nfs/dbraw/zinc/96/64/36/944966436.db2.gz ICIZSDOQBMVJTB-CQSZACIVSA-N -1 3 367.369 0.336 20 50 FCGDHM CSC[C@H](C)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737177453 944976215 /nfs/dbraw/zinc/97/62/15/944976215.db2.gz RSVPMFUFWLCVQN-VIFPVBQESA-N -1 3 365.419 0.327 20 50 FCGDHM CSCCCNC(=S)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737182884 944979076 /nfs/dbraw/zinc/97/90/76/944979076.db2.gz WKJHILWDYDOEPT-UHFFFAOYSA-N -1 3 351.461 0.729 20 50 FCGDHM CSCCCNC(=S)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737182884 944979082 /nfs/dbraw/zinc/97/90/82/944979082.db2.gz WKJHILWDYDOEPT-UHFFFAOYSA-N -1 3 351.461 0.729 20 50 FCGDHM Cc1[nH]nc2ncc(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)cc12 ZINC000737201843 944982864 /nfs/dbraw/zinc/98/28/64/944982864.db2.gz JNVJNXJUJKYVFS-UHFFFAOYSA-N -1 3 363.341 0.521 20 50 FCGDHM Cc1[nH]nc2ncc(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)cc12 ZINC000737201843 944982869 /nfs/dbraw/zinc/98/28/69/944982869.db2.gz JNVJNXJUJKYVFS-UHFFFAOYSA-N -1 3 363.341 0.521 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCn3ccnc3C2)cc(-c2nnn[n-]2)n1C ZINC000737213266 945002245 /nfs/dbraw/zinc/00/22/45/945002245.db2.gz RFHGFHVQIVHIAP-QPEQYQDCSA-N -1 3 363.385 0.660 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCn3ccnc3C2)cc(-c2nn[n-]n2)n1C ZINC000737213266 945002252 /nfs/dbraw/zinc/00/22/52/945002252.db2.gz RFHGFHVQIVHIAP-QPEQYQDCSA-N -1 3 363.385 0.660 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC(=O)OC(C)(C)C)cc(-c2nnn[n-]2)n1C ZINC000737213527 945004204 /nfs/dbraw/zinc/00/42/04/945004204.db2.gz UZKKIHQENJYQEV-SDQBBNPISA-N -1 3 371.401 0.879 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC(=O)OC(C)(C)C)cc(-c2nn[n-]n2)n1C ZINC000737213527 945004213 /nfs/dbraw/zinc/00/42/13/945004213.db2.gz UZKKIHQENJYQEV-SDQBBNPISA-N -1 3 371.401 0.879 20 50 FCGDHM C[C@H](O)[C@H](C)SCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820467540 945457847 /nfs/dbraw/zinc/45/78/47/945457847.db2.gz JKFCFRKCKKTMQK-IUCAKERBSA-N -1 3 350.404 0.130 20 50 FCGDHM C[C@H](O)[C@H](C)SCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820467540 945457851 /nfs/dbraw/zinc/45/78/51/945457851.db2.gz JKFCFRKCKKTMQK-IUCAKERBSA-N -1 3 350.404 0.130 20 50 FCGDHM C[C@@H](O)[C@@H](C)SCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820467541 945458219 /nfs/dbraw/zinc/45/82/19/945458219.db2.gz JKFCFRKCKKTMQK-RKDXNWHRSA-N -1 3 350.404 0.130 20 50 FCGDHM C[C@@H](O)[C@@H](C)SCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820467541 945458225 /nfs/dbraw/zinc/45/82/25/945458225.db2.gz JKFCFRKCKKTMQK-RKDXNWHRSA-N -1 3 350.404 0.130 20 50 FCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@]1(C)CCCO1 ZINC000820528249 945474325 /nfs/dbraw/zinc/47/43/25/945474325.db2.gz MYUKNZFEDOWHQN-QFYYESIMSA-N -1 3 360.374 0.351 20 50 FCGDHM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000820678518 945522039 /nfs/dbraw/zinc/52/20/39/945522039.db2.gz VRTFSOBDMNJELM-WQAKAFBOSA-N -1 3 356.390 0.502 20 50 FCGDHM C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000820678518 945522045 /nfs/dbraw/zinc/52/20/45/945522045.db2.gz VRTFSOBDMNJELM-WQAKAFBOSA-N -1 3 356.390 0.502 20 50 FCGDHM CC[C@@H](NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)C(=O)OC ZINC000820914263 945587457 /nfs/dbraw/zinc/58/74/57/945587457.db2.gz NITUPXUZCRBPLY-HUMZTAOYSA-N -1 3 357.374 0.488 20 50 FCGDHM CC[C@@H](NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C(=O)OC ZINC000820914263 945587464 /nfs/dbraw/zinc/58/74/64/945587464.db2.gz NITUPXUZCRBPLY-HUMZTAOYSA-N -1 3 357.374 0.488 20 50 FCGDHM CCC[C@@H](C)CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821016618 945614815 /nfs/dbraw/zinc/61/48/15/945614815.db2.gz YAAGBDPWSPYKAQ-LLVKDONJSA-N -1 3 374.401 0.997 20 50 FCGDHM CCC[C@@H](C)CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821016618 945614820 /nfs/dbraw/zinc/61/48/20/945614820.db2.gz YAAGBDPWSPYKAQ-LLVKDONJSA-N -1 3 374.401 0.997 20 50 FCGDHM CCC[C@@H]1C[C@@H]1NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000821034185 945619071 /nfs/dbraw/zinc/61/90/71/945619071.db2.gz IMSJJKWUDLUARX-PWSUYJOCSA-N -1 3 359.390 0.765 20 50 FCGDHM CCC[C@@H]1C[C@@H]1NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000821034185 945619078 /nfs/dbraw/zinc/61/90/78/945619078.db2.gz IMSJJKWUDLUARX-PWSUYJOCSA-N -1 3 359.390 0.765 20 50 FCGDHM CCOC(=O)NNC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821335095 945672410 /nfs/dbraw/zinc/67/24/10/945672410.db2.gz YISUXMLXEGGHAL-UHFFFAOYSA-N -1 3 361.362 0.753 20 50 FCGDHM CCOC(=O)NNC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821335095 945672419 /nfs/dbraw/zinc/67/24/19/945672419.db2.gz YISUXMLXEGGHAL-UHFFFAOYSA-N -1 3 361.362 0.753 20 50 FCGDHM COc1cc(OC)cc(C(=O)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000821724727 945848421 /nfs/dbraw/zinc/84/84/21/945848421.db2.gz XAOMMFXPSDYBFM-UHFFFAOYSA-N -1 3 371.357 0.297 20 50 FCGDHM COc1cc(OC)cc(C(=O)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000821724727 945848439 /nfs/dbraw/zinc/84/84/39/945848439.db2.gz XAOMMFXPSDYBFM-UHFFFAOYSA-N -1 3 371.357 0.297 20 50 FCGDHM Cc1[nH]ccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822009982 945919808 /nfs/dbraw/zinc/91/98/08/945919808.db2.gz JADZSWKORAXFHC-UHFFFAOYSA-N -1 3 369.341 0.121 20 50 FCGDHM Cc1[nH]ccc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822009982 945919815 /nfs/dbraw/zinc/91/98/15/945919815.db2.gz JADZSWKORAXFHC-UHFFFAOYSA-N -1 3 369.341 0.121 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@](C)(O)C2CC2)cc(-c2nnn[n-]2)n1C ZINC000822026963 945926179 /nfs/dbraw/zinc/92/61/79/945926179.db2.gz BQHUOVZPZBHTBP-USAXFFIDSA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@](C)(O)C2CC2)cc(-c2nn[n-]n2)n1C ZINC000822026963 945926185 /nfs/dbraw/zinc/92/61/85/945926185.db2.gz BQHUOVZPZBHTBP-USAXFFIDSA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)Nc2c[nH]c(C(N)=O)c2)cc(-c2nnn[n-]2)n1C ZINC000822029060 945952325 /nfs/dbraw/zinc/95/23/25/945952325.db2.gz UVBBFZPQSHGOPC-KMKOMSMNSA-N -1 3 365.357 0.486 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)Nc2c[nH]c(C(N)=O)c2)cc(-c2nn[n-]n2)n1C ZINC000822029060 945952332 /nfs/dbraw/zinc/95/23/32/945952332.db2.gz UVBBFZPQSHGOPC-KMKOMSMNSA-N -1 3 365.357 0.486 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(C)(O)CC2)cc(-c2nnn[n-]2)n1C ZINC000822029371 945953805 /nfs/dbraw/zinc/95/38/05/945953805.db2.gz XRCFCCOVFYDGDI-JYRVWZFOSA-N -1 3 355.402 0.794 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(C)(O)CC2)cc(-c2nn[n-]n2)n1C ZINC000822029371 945953811 /nfs/dbraw/zinc/95/38/11/945953811.db2.gz XRCFCCOVFYDGDI-JYRVWZFOSA-N -1 3 355.402 0.794 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H]2COC(C)(C)O2)cc(-c2nnn[n-]2)n1C ZINC000822029291 945955413 /nfs/dbraw/zinc/95/54/13/945955413.db2.gz WVPWZUWYFOXZHL-YFTXEMMHSA-N -1 3 371.401 0.688 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H]2COC(C)(C)O2)cc(-c2nn[n-]n2)n1C ZINC000822029291 945955423 /nfs/dbraw/zinc/95/54/23/945955423.db2.gz WVPWZUWYFOXZHL-YFTXEMMHSA-N -1 3 371.401 0.688 20 50 FCGDHM Cn1ncc2c1nc(NNC(=O)Nc1ccc(-c3nnn[n-]3)cc1)[nH]c2=O ZINC000822709266 946164691 /nfs/dbraw/zinc/16/46/91/946164691.db2.gz IUQAPSPRNQVFJP-UHFFFAOYSA-N -1 3 367.333 0.398 20 50 FCGDHM Cn1ncc2c1nc(NNC(=O)Nc1ccc(-c3nn[n-]n3)cc1)[nH]c2=O ZINC000822709266 946164694 /nfs/dbraw/zinc/16/46/94/946164694.db2.gz IUQAPSPRNQVFJP-UHFFFAOYSA-N -1 3 367.333 0.398 20 50 FCGDHM NC(=O)c1csc(C=NNC(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000822890267 946212753 /nfs/dbraw/zinc/21/27/53/946212753.db2.gz QXSUFFIYLVJWRY-UHFFFAOYSA-N -1 3 371.382 0.556 20 50 FCGDHM NC(=O)c1csc(C=NNC(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000822890267 946212761 /nfs/dbraw/zinc/21/27/61/946212761.db2.gz QXSUFFIYLVJWRY-UHFFFAOYSA-N -1 3 371.382 0.556 20 50 FCGDHM O=C(CNc1ccccc1)NNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823013965 946266797 /nfs/dbraw/zinc/26/67/97/946266797.db2.gz DFMQCNGYGNRAJL-UHFFFAOYSA-N -1 3 351.370 0.669 20 50 FCGDHM O=C(CNc1ccccc1)NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823013965 946266812 /nfs/dbraw/zinc/26/68/12/946266812.db2.gz DFMQCNGYGNRAJL-UHFFFAOYSA-N -1 3 351.370 0.669 20 50 FCGDHM O=C(C=C1CCC1)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823017872 946270303 /nfs/dbraw/zinc/27/03/03/946270303.db2.gz DJYJWGBVOMVVBI-UHFFFAOYSA-N -1 3 356.342 0.281 20 50 FCGDHM O=C(C=C1CCC1)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823017872 946270314 /nfs/dbraw/zinc/27/03/14/946270314.db2.gz DJYJWGBVOMVVBI-UHFFFAOYSA-N -1 3 356.342 0.281 20 50 FCGDHM O=C(COC(=O)C1CC=CC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018032 946271636 /nfs/dbraw/zinc/27/16/36/946271636.db2.gz GNWMMKPZXZWLFH-UHFFFAOYSA-N -1 3 356.342 0.137 20 50 FCGDHM O=C(COC(=O)C1CC=CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018032 946271646 /nfs/dbraw/zinc/27/16/46/946271646.db2.gz GNWMMKPZXZWLFH-UHFFFAOYSA-N -1 3 356.342 0.137 20 50 FCGDHM O=C(COC(=O)[C@H]1CC12CCC2)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018466 946273588 /nfs/dbraw/zinc/27/35/88/946273588.db2.gz OPJNPVIJJLJTJG-GFCCVEGCSA-N -1 3 370.369 0.361 20 50 FCGDHM O=C(COC(=O)[C@H]1CC12CCC2)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018466 946273593 /nfs/dbraw/zinc/27/35/93/946273593.db2.gz OPJNPVIJJLJTJG-GFCCVEGCSA-N -1 3 370.369 0.361 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)C1(O)CCCCC1 ZINC000823036915 946287847 /nfs/dbraw/zinc/28/78/47/946287847.db2.gz MSHNGTLAJSJMKI-UHFFFAOYSA-N -1 3 360.374 0.088 20 50 FCGDHM O=C(NCc1ccc(F)cn1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823252932 946357582 /nfs/dbraw/zinc/35/75/82/946357582.db2.gz AOTCUTPUKLJEPM-UHFFFAOYSA-N -1 3 356.321 0.545 20 50 FCGDHM O=C(NCc1ccc(F)cn1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823252932 946357592 /nfs/dbraw/zinc/35/75/92/946357592.db2.gz AOTCUTPUKLJEPM-UHFFFAOYSA-N -1 3 356.321 0.545 20 50 FCGDHM CO[C@@H]1[C@@H](C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1(C)C ZINC000826144587 947457598 /nfs/dbraw/zinc/45/75/98/947457598.db2.gz MUSQMUHKUIMSOZ-TVYUQYBPSA-N -1 3 373.417 0.870 20 50 FCGDHM CO[C@@H]1[C@@H](C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC000826144587 947457605 /nfs/dbraw/zinc/45/76/05/947457605.db2.gz MUSQMUHKUIMSOZ-TVYUQYBPSA-N -1 3 373.417 0.870 20 50 FCGDHM Cc1onc(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1C#N ZINC000826348405 948074451 /nfs/dbraw/zinc/07/44/51/948074451.db2.gz KRNOALPWQHHEQM-UHFFFAOYSA-N -1 3 352.314 0.039 20 50 FCGDHM Cc1onc(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1C#N ZINC000826348405 948074460 /nfs/dbraw/zinc/07/44/60/948074460.db2.gz KRNOALPWQHHEQM-UHFFFAOYSA-N -1 3 352.314 0.039 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)NOCc1cccnc1 ZINC000826445458 948310421 /nfs/dbraw/zinc/31/04/21/948310421.db2.gz VOWFPSBYEVSAEW-UHFFFAOYSA-N -1 3 354.330 0.338 20 50 FCGDHM N#Cc1cccc(C(=O)NNC(=O)CN(CCC(=O)[O-])C2CCOCC2)c1 ZINC001594626053 956314213 /nfs/dbraw/zinc/31/42/13/956314213.db2.gz SBKUHTGWNHFSAV-UHFFFAOYSA-N -1 3 374.397 0.275 20 50 FCGDHM CC(C)(C(=O)NNc1cccc(-c2nnn[n-]2)c1)n1cc([N+](=O)[O-])cn1 ZINC000824064510 607336774 /nfs/dbraw/zinc/33/67/74/607336774.db2.gz JVSFZEAUTLTIAH-UHFFFAOYSA-N -1 3 357.334 0.850 20 50 FCGDHM CC(C)(C(=O)NNc1cccc(-c2nn[n-]n2)c1)n1cc([N+](=O)[O-])cn1 ZINC000824064510 607336776 /nfs/dbraw/zinc/33/67/76/607336776.db2.gz JVSFZEAUTLTIAH-UHFFFAOYSA-N -1 3 357.334 0.850 20 50 FCGDHM O=C(CNC(=O)COc1ccccc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826418662 607348377 /nfs/dbraw/zinc/34/83/77/607348377.db2.gz QMVQZTGNZDHZQT-UHFFFAOYSA-N -1 3 367.369 0.505 20 50 FCGDHM O=C(CNC(=O)NCc1ccco1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826411527 607353157 /nfs/dbraw/zinc/35/31/57/607353157.db2.gz BPKHZRBYEKILFX-UHFFFAOYSA-N -1 3 356.346 0.402 20 50 FCGDHM CNC(=O)C(C)(C)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826050795 607511927 /nfs/dbraw/zinc/51/19/27/607511927.db2.gz DSKNWPIARUIBOC-SDQBBNPISA-N -1 3 370.417 0.309 20 50 FCGDHM CNC(=O)C(C)(C)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826050795 607511929 /nfs/dbraw/zinc/51/19/29/607511929.db2.gz DSKNWPIARUIBOC-SDQBBNPISA-N -1 3 370.417 0.309 20 50 FCGDHM O=C(NNC(=O)N1CC[C@H]([C@H]2CCOC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444627 607538175 /nfs/dbraw/zinc/53/81/75/607538175.db2.gz NXCSPZCJKHPEQM-KBPBESRZSA-N -1 3 371.401 0.580 20 50 FCGDHM O=C(NNC(=O)N1CC[C@H]([C@H]2CCOC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444627 607538177 /nfs/dbraw/zinc/53/81/77/607538177.db2.gz NXCSPZCJKHPEQM-KBPBESRZSA-N -1 3 371.401 0.580 20 50 FCGDHM COC[C@H](NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)C1CC1 ZINC000826150011 607561359 /nfs/dbraw/zinc/56/13/59/607561359.db2.gz ULAWTHQEXILGRH-BLXFFLACSA-N -1 3 355.402 0.962 20 50 FCGDHM COC[C@H](NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C1CC1 ZINC000826150011 607561361 /nfs/dbraw/zinc/56/13/61/607561361.db2.gz ULAWTHQEXILGRH-BLXFFLACSA-N -1 3 355.402 0.962 20 50 FCGDHM C[C@@H](C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCSCC1 ZINC000824040185 607569524 /nfs/dbraw/zinc/56/95/24/607569524.db2.gz MKYFETIUVYPHLE-JTQLQIEISA-N -1 3 361.431 0.065 20 50 FCGDHM C[C@@H](C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCSCC1 ZINC000824040185 607569525 /nfs/dbraw/zinc/56/95/25/607569525.db2.gz MKYFETIUVYPHLE-JTQLQIEISA-N -1 3 361.431 0.065 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cnc2n1CCCC2 ZINC000826445239 607565946 /nfs/dbraw/zinc/56/59/46/607565946.db2.gz LTLPLPBZIKZVHF-UHFFFAOYSA-N -1 3 352.358 0.474 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cnc2n1CCCC2 ZINC000826445239 607565947 /nfs/dbraw/zinc/56/59/47/607565947.db2.gz LTLPLPBZIKZVHF-UHFFFAOYSA-N -1 3 352.358 0.474 20 50 FCGDHM C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824754714 607682493 /nfs/dbraw/zinc/68/24/93/607682493.db2.gz JPJJKEYBGONXMG-MRVPVSSYSA-N -1 3 359.321 0.562 20 50 FCGDHM C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824754714 607682494 /nfs/dbraw/zinc/68/24/94/607682494.db2.gz JPJJKEYBGONXMG-MRVPVSSYSA-N -1 3 359.321 0.562 20 50 FCGDHM O=C(CCc1nc(-c2nc[nH]n2)no1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409292 607724660 /nfs/dbraw/zinc/72/46/60/607724660.db2.gz QNYJAXFPJFVJKY-UHFFFAOYSA-N -1 3 367.333 0.111 20 50 FCGDHM O=C(C[C@@H]1CSCCS1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826404979 607725969 /nfs/dbraw/zinc/72/59/69/607725969.db2.gz RRIVPJFXVBTEDK-LLVKDONJSA-N -1 3 364.456 0.866 20 50 FCGDHM O=C(C[C@@H]1CSCCS1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826404979 607725971 /nfs/dbraw/zinc/72/59/71/607725971.db2.gz RRIVPJFXVBTEDK-LLVKDONJSA-N -1 3 364.456 0.866 20 50 FCGDHM C[C@]1(C2CC2)NC(=O)N(CC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000824816290 607727629 /nfs/dbraw/zinc/72/76/29/607727629.db2.gz ALSJVDKKXIHXHZ-MRXNPFEDSA-N -1 3 370.373 0.030 20 50 FCGDHM C[C@]1(C2CC2)NC(=O)N(CC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000824816290 607727631 /nfs/dbraw/zinc/72/76/31/607727631.db2.gz ALSJVDKKXIHXHZ-MRXNPFEDSA-N -1 3 370.373 0.030 20 50 FCGDHM Cc1oc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1S(N)(=O)=O ZINC000826341062 607729905 /nfs/dbraw/zinc/72/99/05/607729905.db2.gz VGPDACGIDKRQPB-UHFFFAOYSA-N -1 3 363.359 0.172 20 50 FCGDHM Cc1oc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1S(N)(=O)=O ZINC000826341062 607729908 /nfs/dbraw/zinc/72/99/08/607729908.db2.gz VGPDACGIDKRQPB-UHFFFAOYSA-N -1 3 363.359 0.172 20 50 FCGDHM NC(=O)COc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826391677 607729997 /nfs/dbraw/zinc/72/99/97/607729997.db2.gz WRRJJCVEVRNRFD-UHFFFAOYSA-N -1 3 353.342 0.488 20 50 FCGDHM NC(=O)COc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826391677 607729999 /nfs/dbraw/zinc/72/99/99/607729999.db2.gz WRRJJCVEVRNRFD-UHFFFAOYSA-N -1 3 353.342 0.488 20 50 FCGDHM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409760 607730241 /nfs/dbraw/zinc/73/02/41/607730241.db2.gz NYFDNJGOAYETTP-CHWSQXEVSA-N -1 3 369.385 0.485 20 50 FCGDHM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409760 607730242 /nfs/dbraw/zinc/73/02/42/607730242.db2.gz NYFDNJGOAYETTP-CHWSQXEVSA-N -1 3 369.385 0.485 20 50 FCGDHM CC(=O)N1CC[C@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC000823974449 607781896 /nfs/dbraw/zinc/78/18/96/607781896.db2.gz PKJGPUOGJGROAX-HZMBPMFUSA-N -1 3 358.406 0.750 20 50 FCGDHM CC(=O)N1CC[C@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC000823974449 607781897 /nfs/dbraw/zinc/78/18/97/607781897.db2.gz PKJGPUOGJGROAX-HZMBPMFUSA-N -1 3 358.406 0.750 20 50 FCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NCC1(C2CC2)CC1 ZINC000826418923 607782515 /nfs/dbraw/zinc/78/25/15/607782515.db2.gz BPDASCRAPSPEKG-UHFFFAOYSA-N -1 3 371.401 0.766 20 50 FCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NCC1(C2CC2)CC1 ZINC000826418923 607782516 /nfs/dbraw/zinc/78/25/16/607782516.db2.gz BPDASCRAPSPEKG-UHFFFAOYSA-N -1 3 371.401 0.766 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCOC[C@@H](C)C2)cc(-c2nnn[n-]2)n1C ZINC000826235213 607826030 /nfs/dbraw/zinc/82/60/30/607826030.db2.gz FHVANHGJTVBNKB-REPOHMLUSA-N -1 3 355.402 0.916 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCOC[C@@H](C)C2)cc(-c2nn[n-]n2)n1C ZINC000826235213 607826031 /nfs/dbraw/zinc/82/60/31/607826031.db2.gz FHVANHGJTVBNKB-REPOHMLUSA-N -1 3 355.402 0.916 20 50 FCGDHM C[C@H]1OCC[C@H]1SCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825022235 607845469 /nfs/dbraw/zinc/84/54/69/607845469.db2.gz WZBAYWDBASPWAO-BXKDBHETSA-N -1 3 362.415 0.538 20 50 FCGDHM C[C@H]1OCC[C@H]1SCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825022235 607845470 /nfs/dbraw/zinc/84/54/70/607845470.db2.gz WZBAYWDBASPWAO-BXKDBHETSA-N -1 3 362.415 0.538 20 50 FCGDHM N#CCCN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)CC1CC1 ZINC000826381717 607923777 /nfs/dbraw/zinc/92/37/77/607923777.db2.gz WJCKZAXMXKVVMA-UHFFFAOYSA-N -1 3 368.401 0.253 20 50 FCGDHM N#CCCN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)CC1CC1 ZINC000826381717 607923778 /nfs/dbraw/zinc/92/37/78/607923778.db2.gz WJCKZAXMXKVVMA-UHFFFAOYSA-N -1 3 368.401 0.253 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC000824498342 607927993 /nfs/dbraw/zinc/92/79/93/607927993.db2.gz FJCFVMBZXWHIRC-JTQLQIEISA-N -1 3 359.390 0.765 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCC[C@@H](C)CO)cc(-c2nnn[n-]2)n1C ZINC000826235290 608005952 /nfs/dbraw/zinc/00/59/52/608005952.db2.gz HEGJYVMUHMAOLG-LLUUXILJSA-N -1 3 357.418 0.945 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCC[C@@H](C)CO)cc(-c2nn[n-]n2)n1C ZINC000826235290 608005953 /nfs/dbraw/zinc/00/59/53/608005953.db2.gz HEGJYVMUHMAOLG-LLUUXILJSA-N -1 3 357.418 0.945 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2cncnc2N)cc(-c2nn[n-]n2)n1C ZINC000826235504 608074880 /nfs/dbraw/zinc/07/48/80/608074880.db2.gz KZLQEJKTHJXXDY-QDEBKDIKSA-N -1 3 364.373 0.109 20 50 FCGDHM Cc1ccc(NCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c(C)c1 ZINC000826291334 608113428 /nfs/dbraw/zinc/11/34/28/608113428.db2.gz AOMHPRAFCVTSRI-UHFFFAOYSA-N -1 3 354.374 0.685 20 50 FCGDHM Cc1ccc(NCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c(C)c1 ZINC000826291334 608113429 /nfs/dbraw/zinc/11/34/29/608113429.db2.gz AOMHPRAFCVTSRI-UHFFFAOYSA-N -1 3 354.374 0.685 20 50 FCGDHM CN(CCc1cnccn1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825950999 608161765 /nfs/dbraw/zinc/16/17/65/608161765.db2.gz ZORRFMJUOVTXPV-UHFFFAOYSA-N -1 3 367.373 0.186 20 50 FCGDHM CN(CCc1cnccn1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825950999 608161766 /nfs/dbraw/zinc/16/17/66/608161766.db2.gz ZORRFMJUOVTXPV-UHFFFAOYSA-N -1 3 367.373 0.186 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000826235794 608200256 /nfs/dbraw/zinc/20/02/56/608200256.db2.gz RHPDNKKJMQOCDN-YJHDKVRQSA-N -1 3 355.402 0.962 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000826235794 608200258 /nfs/dbraw/zinc/20/02/58/608200258.db2.gz RHPDNKKJMQOCDN-YJHDKVRQSA-N -1 3 355.402 0.962 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2cccc(=O)[nH]2)cc(-c2nnn[n-]2)n1C ZINC000826235939 608213859 /nfs/dbraw/zinc/21/38/59/608213859.db2.gz VAEWWJMCTSBDIP-WUXMJOGZSA-N -1 3 364.369 0.838 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2cccc(=O)[nH]2)cc(-c2nn[n-]n2)n1C ZINC000826235939 608213861 /nfs/dbraw/zinc/21/38/61/608213861.db2.gz VAEWWJMCTSBDIP-WUXMJOGZSA-N -1 3 364.369 0.838 20 50 FCGDHM CS[C@@H](C)CCC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826225733 608289964 /nfs/dbraw/zinc/28/99/64/608289964.db2.gz JOUQWIDRKMTKEU-JTQLQIEISA-N -1 3 364.431 0.925 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@@](C)(O)C2)cc(-c2nnn[n-]2)n1C ZINC000826235517 608385661 /nfs/dbraw/zinc/38/56/61/608385661.db2.gz LHILWGAIUHHGEQ-KYTCBBFDSA-N -1 3 355.402 0.794 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@@](C)(O)C2)cc(-c2nn[n-]n2)n1C ZINC000826235517 608385663 /nfs/dbraw/zinc/38/56/63/608385663.db2.gz LHILWGAIUHHGEQ-KYTCBBFDSA-N -1 3 355.402 0.794 20 50 FCGDHM CN(C)c1nccc(C=NNC(=O)COc2ccccc2-c2nnn[n-]2)n1 ZINC000825883940 608388480 /nfs/dbraw/zinc/38/84/80/608388480.db2.gz QVWYWJNQQYECBT-UHFFFAOYSA-N -1 3 367.373 0.252 20 50 FCGDHM CN(C)c1nccc(C=NNC(=O)COc2ccccc2-c2nn[n-]n2)n1 ZINC000825883940 608388481 /nfs/dbraw/zinc/38/84/81/608388481.db2.gz QVWYWJNQQYECBT-UHFFFAOYSA-N -1 3 367.373 0.252 20 50 FCGDHM C[C@H]1CC(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC000824894311 608404337 /nfs/dbraw/zinc/40/43/37/608404337.db2.gz XYCNXQRUQAWMBV-UWVGGRQHSA-N -1 3 359.390 0.767 20 50 FCGDHM C[C@H]1CC(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H](C)O1 ZINC000824894311 608404339 /nfs/dbraw/zinc/40/43/39/608404339.db2.gz XYCNXQRUQAWMBV-UWVGGRQHSA-N -1 3 359.390 0.767 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NOC1CCCC1 ZINC000826417232 608546652 /nfs/dbraw/zinc/54/66/52/608546652.db2.gz JMMBTNRUCDDZRI-UHFFFAOYSA-N -1 3 361.362 0.450 20 50 FCGDHM C=CC[C@@H](CO)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000823888879 608561423 /nfs/dbraw/zinc/56/14/23/608561423.db2.gz ZKZIZRKEYYIOOL-CHJAJTDHSA-N -1 3 355.402 0.721 20 50 FCGDHM C=CC[C@@H](CO)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000823888879 608561424 /nfs/dbraw/zinc/56/14/24/608561424.db2.gz ZKZIZRKEYYIOOL-CHJAJTDHSA-N -1 3 355.402 0.721 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2C[C@H](CO)OC[C@H]2C)cc(-c2nnn[n-]2)n1C ZINC000826235481 608620365 /nfs/dbraw/zinc/62/03/65/608620365.db2.gz KSDODYXSMAXPQN-UHJGBYSQSA-N -1 3 371.401 0.029 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2C[C@H](CO)OC[C@H]2C)cc(-c2nn[n-]n2)n1C ZINC000826235481 608620368 /nfs/dbraw/zinc/62/03/68/608620368.db2.gz KSDODYXSMAXPQN-UHJGBYSQSA-N -1 3 371.401 0.029 20 50 FCGDHM CSCCNC(=S)NNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000826228814 608764531 /nfs/dbraw/zinc/76/45/31/608764531.db2.gz BNILJGRJOXXRQP-UHFFFAOYSA-N -1 3 367.460 0.104 20 50 FCGDHM CSCCNC(=S)NNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000826228814 608764532 /nfs/dbraw/zinc/76/45/32/608764532.db2.gz BNILJGRJOXXRQP-UHFFFAOYSA-N -1 3 367.460 0.104 20 50 FCGDHM N#Cc1ccc(C(=O)NNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826384044 609216781 /nfs/dbraw/zinc/21/67/81/609216781.db2.gz DHSVCNYIOQVGPM-CQSZACIVSA-N -1 3 363.337 0.233 20 50 FCGDHM N#Cc1ccc(C(=O)NNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826384044 609216783 /nfs/dbraw/zinc/21/67/83/609216783.db2.gz DHSVCNYIOQVGPM-CQSZACIVSA-N -1 3 363.337 0.233 20 50 FCGDHM O=C(CCc1ccco1)NNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826409389 609217458 /nfs/dbraw/zinc/21/74/58/609217458.db2.gz WPQBBSRNFPBWPV-CQSZACIVSA-N -1 3 356.342 0.273 20 50 FCGDHM O=C(CCc1ccco1)NNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826409389 609217460 /nfs/dbraw/zinc/21/74/60/609217460.db2.gz WPQBBSRNFPBWPV-CQSZACIVSA-N -1 3 356.342 0.273 20 50 FCGDHM O=C(NNc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826447514 609254333 /nfs/dbraw/zinc/25/43/33/609254333.db2.gz JNVUFXNLXWQAPG-CYBMUJFWSA-N -1 3 355.314 0.952 20 50 FCGDHM O=C(NNc1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826447514 609254334 /nfs/dbraw/zinc/25/43/34/609254334.db2.gz JNVUFXNLXWQAPG-CYBMUJFWSA-N -1 3 355.314 0.952 20 50 FCGDHM CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948545 609276457 /nfs/dbraw/zinc/27/64/57/609276457.db2.gz RFXKXHKIUODXEG-UHFFFAOYSA-N -1 3 371.332 0.869 20 50 FCGDHM CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948545 609276459 /nfs/dbraw/zinc/27/64/59/609276459.db2.gz RFXKXHKIUODXEG-UHFFFAOYSA-N -1 3 371.332 0.869 20 50 FCGDHM O=C(CSc1cccnn1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826420895 609310269 /nfs/dbraw/zinc/31/02/69/609310269.db2.gz HTVAKYOGTGIUQB-UHFFFAOYSA-N -1 3 356.371 0.210 20 50 FCGDHM O=C(CSc1cccnn1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826420895 609310271 /nfs/dbraw/zinc/31/02/71/609310271.db2.gz HTVAKYOGTGIUQB-UHFFFAOYSA-N -1 3 356.371 0.210 20 50 FCGDHM O=C(Cn1cnc2ccccc21)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826425585 609409846 /nfs/dbraw/zinc/40/98/46/609409846.db2.gz KJVLKGWCLCKFID-UHFFFAOYSA-N -1 3 351.330 0.006 20 50 FCGDHM O=C(Cn1cnc2ccccc21)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826425585 609409849 /nfs/dbraw/zinc/40/98/49/609409849.db2.gz KJVLKGWCLCKFID-UHFFFAOYSA-N -1 3 351.330 0.006 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H](CO)CC(F)(F)F ZINC000826445145 609445269 /nfs/dbraw/zinc/44/52/69/609445269.db2.gz ISSSRHDAAOUUBX-SECBINFHSA-N -1 3 373.295 0.124 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H](CO)CC(F)(F)F ZINC000826445145 609445271 /nfs/dbraw/zinc/44/52/71/609445271.db2.gz ISSSRHDAAOUUBX-SECBINFHSA-N -1 3 373.295 0.124 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CC(n3ccnn3)C2)cc(-c2nn[n-]n2)n1C ZINC000826235628 609472169 /nfs/dbraw/zinc/47/21/69/609472169.db2.gz NQYLNXACUDPGSH-XGICHPGQSA-N -1 3 364.373 0.096 20 50 FCGDHM Cc1nc(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)no1 ZINC000737477240 945078039 /nfs/dbraw/zinc/07/80/39/945078039.db2.gz LPKKSHHOBJTSLC-NYYWCZLTSA-N -1 3 353.346 0.428 20 50 FCGDHM Cc1nc(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)no1 ZINC000737477240 945078048 /nfs/dbraw/zinc/07/80/48/945078048.db2.gz LPKKSHHOBJTSLC-NYYWCZLTSA-N -1 3 353.346 0.428 20 50 FCGDHM Cc1nc(N)sc1C(=O)NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000737481572 945080074 /nfs/dbraw/zinc/08/00/74/945080074.db2.gz ZPONCSXELWFYRR-UHFFFAOYSA-N -1 3 368.386 0.625 20 50 FCGDHM Cc1nc(N)sc1C(=O)NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000737481572 945080085 /nfs/dbraw/zinc/08/00/85/945080085.db2.gz ZPONCSXELWFYRR-UHFFFAOYSA-N -1 3 368.386 0.625 20 50 FCGDHM Cc1noc(C)c1CN(C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737536247 945090927 /nfs/dbraw/zinc/09/09/27/945090927.db2.gz GPMZAXBRDXXERU-UHFFFAOYSA-N -1 3 370.373 0.958 20 50 FCGDHM Cc1noc(C)c1CN(C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737536247 945090936 /nfs/dbraw/zinc/09/09/36/945090936.db2.gz GPMZAXBRDXXERU-UHFFFAOYSA-N -1 3 370.373 0.958 20 50 FCGDHM Cn1ccnc1SCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737615859 945104108 /nfs/dbraw/zinc/10/41/08/945104108.db2.gz MULQKRHGMNUFAQ-UHFFFAOYSA-N -1 3 358.387 0.154 20 50 FCGDHM Cn1ccnc1SCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737615859 945104111 /nfs/dbraw/zinc/10/41/11/945104111.db2.gz MULQKRHGMNUFAQ-UHFFFAOYSA-N -1 3 358.387 0.154 20 50 FCGDHM Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737622460 945104596 /nfs/dbraw/zinc/10/45/96/945104596.db2.gz NVGFUZHZNXTBEF-UHFFFAOYSA-N -1 3 368.401 0.973 20 50 FCGDHM Cn1nc(C(C)(C)C)cc1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737622460 945104605 /nfs/dbraw/zinc/10/46/05/945104605.db2.gz NVGFUZHZNXTBEF-UHFFFAOYSA-N -1 3 368.401 0.973 20 50 FCGDHM N#Cc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737717455 945116296 /nfs/dbraw/zinc/11/62/96/945116296.db2.gz DAKPUEHBJFPADT-UHFFFAOYSA-N -1 3 362.353 0.883 20 50 FCGDHM N#Cc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737717455 945116299 /nfs/dbraw/zinc/11/62/99/945116299.db2.gz DAKPUEHBJFPADT-UHFFFAOYSA-N -1 3 362.353 0.883 20 50 FCGDHM N#Cc1cccc(C(=O)NN[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737723517 945118495 /nfs/dbraw/zinc/11/84/95/945118495.db2.gz UZNCYXPEGFZBFB-CQSZACIVSA-N -1 3 362.353 0.199 20 50 FCGDHM N#Cc1cccc(C(=O)NN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737723517 945118499 /nfs/dbraw/zinc/11/84/99/945118499.db2.gz UZNCYXPEGFZBFB-CQSZACIVSA-N -1 3 362.353 0.199 20 50 FCGDHM NC(=O)[C@@H](NNC(=O)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739627 945120893 /nfs/dbraw/zinc/12/08/93/945120893.db2.gz ZVWGWABIIQVGPA-ZDUSSCGKSA-N -1 3 371.788 0.981 20 50 FCGDHM NC(=O)[C@@H](NNC(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739627 945120896 /nfs/dbraw/zinc/12/08/96/945120896.db2.gz ZVWGWABIIQVGPA-ZDUSSCGKSA-N -1 3 371.788 0.981 20 50 FCGDHM NC(=O)c1ccc(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737760754 945122381 /nfs/dbraw/zinc/12/23/81/945122381.db2.gz RIKUNRGWHJSLBK-UHFFFAOYSA-N -1 3 366.341 0.432 20 50 FCGDHM NC(=O)c1ccc(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737760754 945122389 /nfs/dbraw/zinc/12/23/89/945122389.db2.gz RIKUNRGWHJSLBK-UHFFFAOYSA-N -1 3 366.341 0.432 20 50 FCGDHM O=C(CCOCC(F)(F)F)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737849208 945137234 /nfs/dbraw/zinc/13/72/34/945137234.db2.gz ZOPVRXXWCHZDQL-UHFFFAOYSA-N -1 3 358.280 0.597 20 50 FCGDHM O=C(CCOCC(F)(F)F)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737849208 945137239 /nfs/dbraw/zinc/13/72/39/945137239.db2.gz ZOPVRXXWCHZDQL-UHFFFAOYSA-N -1 3 358.280 0.597 20 50 FCGDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NNC(=O)Cc1ccccn1 ZINC000737924715 945154693 /nfs/dbraw/zinc/15/46/93/945154693.db2.gz IVULDKGJEYJCPJ-UHFFFAOYSA-N -1 3 353.342 0.031 20 50 FCGDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NNC(=O)Cc1ccccn1 ZINC000737924715 945154700 /nfs/dbraw/zinc/15/47/00/945154700.db2.gz IVULDKGJEYJCPJ-UHFFFAOYSA-N -1 3 353.342 0.031 20 50 FCGDHM O=C(NC[C@@H](O)c1ccsc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738042236 945175777 /nfs/dbraw/zinc/17/57/77/945175777.db2.gz XLZGHULTJXTWGN-GFCCVEGCSA-N -1 3 373.398 0.606 20 50 FCGDHM O=C(NC[C@@H](O)c1ccsc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738042236 945175781 /nfs/dbraw/zinc/17/57/81/945175781.db2.gz XLZGHULTJXTWGN-GFCCVEGCSA-N -1 3 373.398 0.606 20 50 FCGDHM O=C(NCCCCn1ccnc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738066991 945180541 /nfs/dbraw/zinc/18/05/41/945180541.db2.gz WSUBSZDPXXBDFY-UHFFFAOYSA-N -1 3 369.389 0.488 20 50 FCGDHM O=C(NNC(=S)NCCc1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738134915 945224488 /nfs/dbraw/zinc/22/44/88/945224488.db2.gz YQNUBFPWBROWPF-UHFFFAOYSA-N -1 3 368.426 0.613 20 50 FCGDHM O=C(NNC(=S)NCCc1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738134915 945224498 /nfs/dbraw/zinc/22/44/98/945224498.db2.gz YQNUBFPWBROWPF-UHFFFAOYSA-N -1 3 368.426 0.613 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000738136053 945229930 /nfs/dbraw/zinc/22/99/30/945229930.db2.gz DRIDGTBNNGSLBQ-UHFFFAOYSA-N -1 3 365.309 0.788 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc2[nH]c(=O)oc2c1 ZINC000738136053 945229937 /nfs/dbraw/zinc/22/99/37/945229937.db2.gz DRIDGTBNNGSLBQ-UHFFFAOYSA-N -1 3 365.309 0.788 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)NNc1ccc(F)cn1 ZINC000738136925 945240290 /nfs/dbraw/zinc/24/02/90/945240290.db2.gz PZKKADTXZMMLJI-UHFFFAOYSA-N -1 3 357.309 0.372 20 50 FCGDHM O=C(NNC(=O)N1CCc2cncnc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738137682 945245408 /nfs/dbraw/zinc/24/54/08/945245408.db2.gz XSUANVZWTIVRCR-UHFFFAOYSA-N -1 3 365.357 0.069 20 50 FCGDHM O=C(NNC(=O)N1CCc2cncnc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738137682 945245418 /nfs/dbraw/zinc/24/54/18/945245418.db2.gz XSUANVZWTIVRCR-UHFFFAOYSA-N -1 3 365.357 0.069 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)CCO2 ZINC000738137648 945246346 /nfs/dbraw/zinc/24/63/46/945246346.db2.gz WZBSJGONIIEFQG-UHFFFAOYSA-N -1 3 350.338 0.876 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)CCO2 ZINC000738137648 945246351 /nfs/dbraw/zinc/24/63/51/945246351.db2.gz WZBSJGONIIEFQG-UHFFFAOYSA-N -1 3 350.338 0.876 20 50 FCGDHM CC(=O)Nc1cncc(C(=O)NN=Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000819826261 945296912 /nfs/dbraw/zinc/29/69/12/945296912.db2.gz ISRMJVVZKMEDNF-UHFFFAOYSA-N -1 3 350.342 0.984 20 50 FCGDHM CC(=O)Nc1cncc(C(=O)NN=Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000819826261 945296918 /nfs/dbraw/zinc/29/69/18/945296918.db2.gz ISRMJVVZKMEDNF-UHFFFAOYSA-N -1 3 350.342 0.984 20 50 FCGDHM CC(=O)NC1(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCCCC1 ZINC000735475014 944664200 /nfs/dbraw/zinc/66/42/00/944664200.db2.gz MZWSJPVFFZHTCC-UHFFFAOYSA-N -1 3 371.401 0.467 20 50 FCGDHM CC(=O)NC1(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCCCC1 ZINC000735475014 944664209 /nfs/dbraw/zinc/66/42/09/944664209.db2.gz MZWSJPVFFZHTCC-UHFFFAOYSA-N -1 3 371.401 0.467 20 50 FCGDHM CC(=O)c1cc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n(C)c1 ZINC000735497667 944666606 /nfs/dbraw/zinc/66/66/06/944666606.db2.gz SRCPNFWWEHLYAK-UHFFFAOYSA-N -1 3 353.342 0.483 20 50 FCGDHM CC(=O)c1cc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n(C)c1 ZINC000735497667 944666615 /nfs/dbraw/zinc/66/66/15/944666615.db2.gz SRCPNFWWEHLYAK-UHFFFAOYSA-N -1 3 353.342 0.483 20 50 FCGDHM CC(=O)c1c[nH]c(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000735497670 944667057 /nfs/dbraw/zinc/66/70/57/944667057.db2.gz SUILWHZMZONUNS-UHFFFAOYSA-N -1 3 369.341 0.237 20 50 FCGDHM CC(C)(C)C(=O)NCCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735589956 944675570 /nfs/dbraw/zinc/67/55/70/944675570.db2.gz RNUGRAXJZIIKRF-UHFFFAOYSA-N -1 3 359.390 0.180 20 50 FCGDHM CC(C)(C)C(=O)NCCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735589956 944675576 /nfs/dbraw/zinc/67/55/76/944675576.db2.gz RNUGRAXJZIIKRF-UHFFFAOYSA-N -1 3 359.390 0.180 20 50 FCGDHM CC(C)C(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735684814 944691730 /nfs/dbraw/zinc/69/17/30/944691730.db2.gz UNEICQNPYJFHEG-CYBMUJFWSA-N -1 3 371.401 0.275 20 50 FCGDHM CC(C)C(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735684814 944691739 /nfs/dbraw/zinc/69/17/39/944691739.db2.gz UNEICQNPYJFHEG-CYBMUJFWSA-N -1 3 371.401 0.275 20 50 FCGDHM CC(C)C[C@H]1COCCN1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735796193 944701183 /nfs/dbraw/zinc/70/11/83/944701183.db2.gz WMUMPEDICPGVMQ-AWEZNQCLSA-N -1 3 373.417 0.968 20 50 FCGDHM CC(C)C[C@H]1COCCN1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735796193 944701188 /nfs/dbraw/zinc/70/11/88/944701188.db2.gz WMUMPEDICPGVMQ-AWEZNQCLSA-N -1 3 373.417 0.968 20 50 FCGDHM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)[C@@H](C)N2CCN(C)CC2)o1 ZINC000735939206 944719613 /nfs/dbraw/zinc/71/96/13/944719613.db2.gz LLNKPCOHDAPPSI-SNVBAGLBSA-N -1 3 363.426 0.057 20 50 FCGDHM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@@H](C)N2CCN(C)CC2)o1 ZINC000735939206 944719617 /nfs/dbraw/zinc/71/96/17/944719617.db2.gz LLNKPCOHDAPPSI-SNVBAGLBSA-N -1 3 363.426 0.057 20 50 FCGDHM C[C@@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)[C@@H](C)N1CCOCC1 ZINC000736119830 944744629 /nfs/dbraw/zinc/74/46/29/944744629.db2.gz UYFQGNCWWMOVRZ-VXGBXAGGSA-N -1 3 360.422 0.602 20 50 FCGDHM C[C@@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)[C@@H](C)N1CCOCC1 ZINC000736119830 944744637 /nfs/dbraw/zinc/74/46/37/944744637.db2.gz UYFQGNCWWMOVRZ-VXGBXAGGSA-N -1 3 360.422 0.602 20 50 FCGDHM C[C@H](OC[C@H]1CCCO1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736163732 944751739 /nfs/dbraw/zinc/75/17/39/944751739.db2.gz JSLPUZOMWDTNDL-GXFFZTMASA-N -1 3 360.374 0.212 20 50 FCGDHM C[C@H](OC[C@H]1CCCO1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736163732 944751745 /nfs/dbraw/zinc/75/17/45/944751745.db2.gz JSLPUZOMWDTNDL-GXFFZTMASA-N -1 3 360.374 0.212 20 50 FCGDHM CC1(C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)[C@@H]2CCO[C@H]21 ZINC000736204691 944761287 /nfs/dbraw/zinc/76/12/87/944761287.db2.gz FSPYAYHGBUTMIG-YNEHKIRRSA-N -1 3 371.401 0.624 20 50 FCGDHM CC1(C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)[C@@H]2CCO[C@H]21 ZINC000736204691 944761293 /nfs/dbraw/zinc/76/12/93/944761293.db2.gz FSPYAYHGBUTMIG-YNEHKIRRSA-N -1 3 371.401 0.624 20 50 FCGDHM CCOCC(=O)NNC(=O)Nc1cc(-c2nnn[n-]2)cn1C(C)(C)C ZINC000736608904 944854533 /nfs/dbraw/zinc/85/45/33/944854533.db2.gz NJGSYQSJKZNIQE-UHFFFAOYSA-N -1 3 350.383 0.612 20 50 FCGDHM CCOCC(=O)NNC(=O)Nc1cc(-c2nn[n-]n2)cn1C(C)(C)C ZINC000736608904 944854537 /nfs/dbraw/zinc/85/45/37/944854537.db2.gz NJGSYQSJKZNIQE-UHFFFAOYSA-N -1 3 350.383 0.612 20 50 FCGDHM CCc1nc(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000736698450 944871977 /nfs/dbraw/zinc/87/19/77/944871977.db2.gz FIWFFNLCSIIPRZ-UHFFFAOYSA-N -1 3 357.399 0.889 20 50 FCGDHM CCc1nc(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000736698450 944871986 /nfs/dbraw/zinc/87/19/86/944871986.db2.gz FIWFFNLCSIIPRZ-UHFFFAOYSA-N -1 3 357.399 0.889 20 50 FCGDHM CN(C[C@@H]1CCCCO1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736794396 944891353 /nfs/dbraw/zinc/89/13/53/944891353.db2.gz SCCASHCUDBOJSC-ZDUSSCGKSA-N -1 3 359.390 0.722 20 50 FCGDHM CN(C[C@@H]1CCCCO1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736794396 944891361 /nfs/dbraw/zinc/89/13/61/944891361.db2.gz SCCASHCUDBOJSC-ZDUSSCGKSA-N -1 3 359.390 0.722 20 50 FCGDHM COC(=O)[C@@H](C)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736891793 944905248 /nfs/dbraw/zinc/90/52/48/944905248.db2.gz LSHHVDUFJKQURJ-NRIUJFNNSA-N -1 3 357.374 0.346 20 50 FCGDHM COC(=O)[C@@H](C)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736891793 944905257 /nfs/dbraw/zinc/90/52/57/944905257.db2.gz LSHHVDUFJKQURJ-NRIUJFNNSA-N -1 3 357.374 0.346 20 50 FCGDHM COC(=O)N[C@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736936412 944914886 /nfs/dbraw/zinc/91/48/86/944914886.db2.gz QQWVJAJNZNXMPS-NSHDSACASA-N -1 3 361.362 0.008 20 50 FCGDHM COC(=O)N[C@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736936412 944914891 /nfs/dbraw/zinc/91/48/91/944914891.db2.gz QQWVJAJNZNXMPS-NSHDSACASA-N -1 3 361.362 0.008 20 50 FCGDHM CO[C@H](C)CCNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736957717 944919906 /nfs/dbraw/zinc/91/99/06/944919906.db2.gz KDGSZUZGPMLWPP-SNVBAGLBSA-N -1 3 363.378 0.001 20 50 FCGDHM COc1ccc(NC(=S)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000737105388 944958925 /nfs/dbraw/zinc/95/89/25/944958925.db2.gz YYDWEIJRPQEWBZ-UHFFFAOYSA-N -1 3 370.398 0.902 20 50 FCGDHM COc1ccc(NC(=S)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737105388 944958931 /nfs/dbraw/zinc/95/89/31/944958931.db2.gz YYDWEIJRPQEWBZ-UHFFFAOYSA-N -1 3 370.398 0.902 20 50 FCGDHM COc1cc[n-]c(=NNC(=O)CSc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000737158762 944972039 /nfs/dbraw/zinc/97/20/39/944972039.db2.gz HOMZBMWTGHUYCP-UHFFFAOYSA-N -1 3 358.387 0.901 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@]2(C)CCOC2)cc(-c2nnn[n-]2)n1C ZINC000737211819 944988726 /nfs/dbraw/zinc/98/87/26/944988726.db2.gz GALSFRAOMWXFGG-YBSJANCESA-N -1 3 355.402 0.963 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@]2(C)CCOC2)cc(-c2nn[n-]n2)n1C ZINC000737211819 944988733 /nfs/dbraw/zinc/98/87/33/944988733.db2.gz GALSFRAOMWXFGG-YBSJANCESA-N -1 3 355.402 0.963 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCNC(=O)C[C@H]2C)cc(-c2nnn[n-]2)n1C ZINC000737212661 944994805 /nfs/dbraw/zinc/99/48/05/944994805.db2.gz LWVGWGIEPSGHJF-QVASGMJFSA-N -1 3 368.401 0.158 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCNC(=O)C[C@H]2C)cc(-c2nn[n-]n2)n1C ZINC000737212661 944994813 /nfs/dbraw/zinc/99/48/13/944994813.db2.gz LWVGWGIEPSGHJF-QVASGMJFSA-N -1 3 368.401 0.158 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](C)C[C@H](C)O)cc(-c2nnn[n-]2)n1C ZINC000737213876 945008568 /nfs/dbraw/zinc/00/85/68/945008568.db2.gz YDKJMZBIXORBRH-HENRFYLWSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](C)C[C@H](C)O)cc(-c2nn[n-]n2)n1C ZINC000737213876 945008577 /nfs/dbraw/zinc/00/85/77/945008577.db2.gz YDKJMZBIXORBRH-HENRFYLWSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](C)C[C@@H](C)O)cc(-c2nnn[n-]2)n1C ZINC000737213878 945009085 /nfs/dbraw/zinc/00/90/85/945009085.db2.gz YDKJMZBIXORBRH-SEPRXUMMSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](C)C[C@@H](C)O)cc(-c2nn[n-]n2)n1C ZINC000737213878 945009094 /nfs/dbraw/zinc/00/90/94/945009094.db2.gz YDKJMZBIXORBRH-SEPRXUMMSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1ccc(CCNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000737337956 945043369 /nfs/dbraw/zinc/04/33/69/945043369.db2.gz UGEVTZIOAWFXHN-UHFFFAOYSA-N -1 3 366.385 0.757 20 50 FCGDHM Cc1ccc(CCNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000737337956 945043378 /nfs/dbraw/zinc/04/33/78/945043378.db2.gz UGEVTZIOAWFXHN-UHFFFAOYSA-N -1 3 366.385 0.757 20 50 FCGDHM Cc1ccc(CCNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737337321 945043968 /nfs/dbraw/zinc/04/39/68/945043968.db2.gz LILHZBJMBBHBMN-UHFFFAOYSA-N -1 3 355.358 0.955 20 50 FCGDHM Cc1ccc(CCNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000737337321 945043977 /nfs/dbraw/zinc/04/39/77/945043977.db2.gz LILHZBJMBBHBMN-UHFFFAOYSA-N -1 3 355.358 0.955 20 50 FCGDHM CC(C)n1nccc1C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000820214785 945387229 /nfs/dbraw/zinc/38/72/29/945387229.db2.gz OHOLANYRVRXJJL-UHFFFAOYSA-N -1 3 370.373 0.484 20 50 FCGDHM C[C@@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820233937 945393684 /nfs/dbraw/zinc/39/36/84/945393684.db2.gz MSTYZTAJSMPNOC-QWRGUYRKSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820233937 945393693 /nfs/dbraw/zinc/39/36/93/945393693.db2.gz MSTYZTAJSMPNOC-QWRGUYRKSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@@H](CCO)SCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820248568 945394984 /nfs/dbraw/zinc/39/49/84/945394984.db2.gz KHQVJWTVKGHGDL-VIFPVBQESA-N -1 3 350.404 0.132 20 50 FCGDHM C[C@@H](CCO)SCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820248568 945394995 /nfs/dbraw/zinc/39/49/95/945394995.db2.gz KHQVJWTVKGHGDL-VIFPVBQESA-N -1 3 350.404 0.132 20 50 FCGDHM CC1(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000820577068 945488199 /nfs/dbraw/zinc/48/81/99/945488199.db2.gz ILQHJXBCERFDIJ-UHFFFAOYSA-N -1 3 358.358 0.361 20 50 FCGDHM CC1(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000820577068 945488206 /nfs/dbraw/zinc/48/82/06/945488206.db2.gz ILQHJXBCERFDIJ-UHFFFAOYSA-N -1 3 358.358 0.361 20 50 FCGDHM C[C@@H]1N(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCOC1(C)C ZINC000820821687 945560884 /nfs/dbraw/zinc/56/08/84/945560884.db2.gz UTHVXKFLUVAJLV-JTQLQIEISA-N -1 3 359.390 0.720 20 50 FCGDHM C[C@@H]1N(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCOC1(C)C ZINC000820821687 945560892 /nfs/dbraw/zinc/56/08/92/945560892.db2.gz UTHVXKFLUVAJLV-JTQLQIEISA-N -1 3 359.390 0.720 20 50 FCGDHM CCC(CC)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820893978 945584526 /nfs/dbraw/zinc/58/45/26/945584526.db2.gz ZBMGNBGQDCJCKB-UHFFFAOYSA-N -1 3 360.374 0.607 20 50 FCGDHM CCC(CC)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820893978 945584531 /nfs/dbraw/zinc/58/45/31/945584531.db2.gz ZBMGNBGQDCJCKB-UHFFFAOYSA-N -1 3 360.374 0.607 20 50 FCGDHM CCN(CC)C(=O)CCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821175650 945646297 /nfs/dbraw/zinc/64/62/97/945646297.db2.gz RIZHKNCNNMXYEH-UHFFFAOYSA-N -1 3 359.390 0.276 20 50 FCGDHM CCN(CC)C(=O)CCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821175650 945646302 /nfs/dbraw/zinc/64/63/02/945646302.db2.gz RIZHKNCNNMXYEH-UHFFFAOYSA-N -1 3 359.390 0.276 20 50 FCGDHM CCO[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821366987 945681427 /nfs/dbraw/zinc/68/14/27/945681427.db2.gz AALQCXCAKYGULC-CQSZACIVSA-N -1 3 373.417 0.129 20 50 FCGDHM CCO[C@@H]1CCCN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821366987 945681434 /nfs/dbraw/zinc/68/14/34/945681434.db2.gz AALQCXCAKYGULC-CQSZACIVSA-N -1 3 373.417 0.129 20 50 FCGDHM CCn1ccnc1SCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821566366 945716435 /nfs/dbraw/zinc/71/64/35/945716435.db2.gz AGQIHHDLHWQHFC-UHFFFAOYSA-N -1 3 372.414 0.636 20 50 FCGDHM CCn1ccnc1SCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821566366 945716438 /nfs/dbraw/zinc/71/64/38/945716438.db2.gz AGQIHHDLHWQHFC-UHFFFAOYSA-N -1 3 372.414 0.636 20 50 FCGDHM CN(CCOCC1CC1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821603599 945741308 /nfs/dbraw/zinc/74/13/08/945741308.db2.gz GFXRZOMTWJXXAZ-UHFFFAOYSA-N -1 3 359.390 0.580 20 50 FCGDHM CN(CCOCC1CC1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821603599 945741318 /nfs/dbraw/zinc/74/13/18/945741318.db2.gz GFXRZOMTWJXXAZ-UHFFFAOYSA-N -1 3 359.390 0.580 20 50 FCGDHM CO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1(C)C ZINC000821677978 945795737 /nfs/dbraw/zinc/79/57/37/945795737.db2.gz HUJNQBGRZIJRQB-NWDGAFQWSA-N -1 3 359.390 0.624 20 50 FCGDHM CO[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC000821677978 945795748 /nfs/dbraw/zinc/79/57/48/945795748.db2.gz HUJNQBGRZIJRQB-NWDGAFQWSA-N -1 3 359.390 0.624 20 50 FCGDHM CO[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1(C)C ZINC000821677925 945795763 /nfs/dbraw/zinc/79/57/63/945795763.db2.gz GVPQRSIHCRGVMF-NEPJUHHUSA-N -1 3 359.390 0.624 20 50 FCGDHM CO[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1(C)C ZINC000821677925 945795769 /nfs/dbraw/zinc/79/57/69/945795769.db2.gz GVPQRSIHCRGVMF-NEPJUHHUSA-N -1 3 359.390 0.624 20 50 FCGDHM COCCC1(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821686320 945810227 /nfs/dbraw/zinc/81/02/27/945810227.db2.gz KKMVKRQJLGUFLN-UHFFFAOYSA-N -1 3 359.390 0.627 20 50 FCGDHM COCCC1(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821686320 945810239 /nfs/dbraw/zinc/81/02/39/945810239.db2.gz KKMVKRQJLGUFLN-UHFFFAOYSA-N -1 3 359.390 0.627 20 50 FCGDHM COCCC(=O)COC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821685146 945810360 /nfs/dbraw/zinc/81/03/60/945810360.db2.gz VLQDARQBTKURIO-WUXMJOGZSA-N -1 3 358.358 0.569 20 50 FCGDHM COCCC(=O)COC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821685146 945810370 /nfs/dbraw/zinc/81/03/70/945810370.db2.gz VLQDARQBTKURIO-WUXMJOGZSA-N -1 3 358.358 0.569 20 50 FCGDHM COCC[C@@](C)(O)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821685871 945811213 /nfs/dbraw/zinc/81/12/13/945811213.db2.gz SZCNUFNCNDGDHA-SDSFWRRZSA-N -1 3 373.417 0.324 20 50 FCGDHM COCC[C@@](C)(O)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821685871 945811224 /nfs/dbraw/zinc/81/12/24/945811224.db2.gz SZCNUFNCNDGDHA-SDSFWRRZSA-N -1 3 373.417 0.324 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)O[C@H]2CCCNC2=O)cc(-c2nnn[n-]2)n1C ZINC000822026843 945925880 /nfs/dbraw/zinc/92/58/80/945925880.db2.gz AMVJEWJWVAFTHU-GXJZLWQJSA-N -1 3 355.358 0.242 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)O[C@H]2CCCNC2=O)cc(-c2nn[n-]n2)n1C ZINC000822026843 945925885 /nfs/dbraw/zinc/92/58/85/945925885.db2.gz AMVJEWJWVAFTHU-GXJZLWQJSA-N -1 3 355.358 0.242 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@]2(O)CCSC2)cc(-c2nnn[n-]2)n1C ZINC000822027607 945933669 /nfs/dbraw/zinc/93/36/69/945933669.db2.gz IQXBWPDXHPOJJZ-MISVVRGBSA-N -1 3 373.442 0.405 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@]2(O)CCSC2)cc(-c2nn[n-]n2)n1C ZINC000822027607 945933679 /nfs/dbraw/zinc/93/36/79/945933679.db2.gz IQXBWPDXHPOJJZ-MISVVRGBSA-N -1 3 373.442 0.405 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2ccco2)cc(-c2nnn[n-]2)n1C ZINC000822027794 945935896 /nfs/dbraw/zinc/93/58/96/945935896.db2.gz JIRCNGKTFCUKBB-CYIWUNGXSA-N -1 3 367.369 0.863 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2ccco2)cc(-c2nn[n-]n2)n1C ZINC000822027794 945935899 /nfs/dbraw/zinc/93/58/99/945935899.db2.gz JIRCNGKTFCUKBB-CYIWUNGXSA-N -1 3 367.369 0.863 20 50 FCGDHM Cc1occc1CN(C)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822553007 946123911 /nfs/dbraw/zinc/12/39/11/946123911.db2.gz HGVWLCRUUHPNKG-UHFFFAOYSA-N -1 3 369.385 0.661 20 50 FCGDHM Cc1occc1CN(C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822553007 946123918 /nfs/dbraw/zinc/12/39/18/946123918.db2.gz HGVWLCRUUHPNKG-UHFFFAOYSA-N -1 3 369.385 0.661 20 50 FCGDHM Nc1c(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cccc1[N+](=O)[O-] ZINC000822903362 946214005 /nfs/dbraw/zinc/21/40/05/946214005.db2.gz JSXBWIBBHCWYPE-UHFFFAOYSA-N -1 3 368.313 0.432 20 50 FCGDHM Nc1c(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cccc1[N+](=O)[O-] ZINC000822903362 946214017 /nfs/dbraw/zinc/21/40/17/946214017.db2.gz JSXBWIBBHCWYPE-UHFFFAOYSA-N -1 3 368.313 0.432 20 50 FCGDHM O=C(COC(=O)C1=CCCC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823014812 946269301 /nfs/dbraw/zinc/26/93/01/946269301.db2.gz UJDHXOBOEUXVHL-UHFFFAOYSA-N -1 3 356.342 0.281 20 50 FCGDHM O=C(COC(=O)C1=CCCC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823014812 946269312 /nfs/dbraw/zinc/26/93/12/946269312.db2.gz UJDHXOBOEUXVHL-UHFFFAOYSA-N -1 3 356.342 0.281 20 50 FCGDHM O=C(COC(=O)[C@@H]1C[C@H]1C1CC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018368 946270394 /nfs/dbraw/zinc/27/03/94/946270394.db2.gz LQFHLCSTRKOYQB-QWHCGFSZSA-N -1 3 370.369 0.217 20 50 FCGDHM O=C(COC(=O)[C@@H]1C[C@H]1C1CC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018368 946270406 /nfs/dbraw/zinc/27/04/06/946270406.db2.gz LQFHLCSTRKOYQB-QWHCGFSZSA-N -1 3 370.369 0.217 20 50 FCGDHM O=C(COC(=O)CCC1CC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018299 946270528 /nfs/dbraw/zinc/27/05/28/946270528.db2.gz JYWQDTZPUYOEEM-UHFFFAOYSA-N -1 3 358.358 0.361 20 50 FCGDHM O=C(COC(=O)CCC1CC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018299 946270536 /nfs/dbraw/zinc/27/05/36/946270536.db2.gz JYWQDTZPUYOEEM-UHFFFAOYSA-N -1 3 358.358 0.361 20 50 FCGDHM O=C(COC(=O)C1CCCC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823017981 946270560 /nfs/dbraw/zinc/27/05/60/946270560.db2.gz FZPYHYQTJTWVPE-UHFFFAOYSA-N -1 3 358.358 0.361 20 50 FCGDHM O=C(COC(=O)C1CCCC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823017981 946270569 /nfs/dbraw/zinc/27/05/69/946270569.db2.gz FZPYHYQTJTWVPE-UHFFFAOYSA-N -1 3 358.358 0.361 20 50 FCGDHM O=C(COC(=O)C1CCCCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018813 946275419 /nfs/dbraw/zinc/27/54/19/946275419.db2.gz XYRMLAWVSVBDTA-UHFFFAOYSA-N -1 3 372.385 0.751 20 50 FCGDHM O=C(COC(=O)C1CCCCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018813 946275429 /nfs/dbraw/zinc/27/54/29/946275429.db2.gz XYRMLAWVSVBDTA-UHFFFAOYSA-N -1 3 372.385 0.751 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000823036385 946283958 /nfs/dbraw/zinc/28/39/58/946283958.db2.gz AQTYIFOVQHYKPB-NHAGDIPZSA-N -1 3 356.386 0.829 20 50 FCGDHM O=C(CSc1ccccn1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823070854 946301887 /nfs/dbraw/zinc/30/18/87/946301887.db2.gz ROVGUXMNDCVDKW-UHFFFAOYSA-N -1 3 355.383 0.815 20 50 FCGDHM O=C(CSc1ccccn1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823070854 946301894 /nfs/dbraw/zinc/30/18/94/946301894.db2.gz ROVGUXMNDCVDKW-UHFFFAOYSA-N -1 3 355.383 0.815 20 50 FCGDHM O=C(C=C1CC(=O)NC(=S)N1)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823073749 946302897 /nfs/dbraw/zinc/30/28/97/946302897.db2.gz APGILQOESUBFCG-UHFFFAOYSA-N -1 3 362.400 0.405 20 50 FCGDHM O=C(C=C1CC(=O)NC(=S)N1)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823073749 946302906 /nfs/dbraw/zinc/30/29/06/946302906.db2.gz APGILQOESUBFCG-UHFFFAOYSA-N -1 3 362.400 0.405 20 50 FCGDHM O=C(NCCCc1ccccn1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823196299 946339424 /nfs/dbraw/zinc/33/94/24/946339424.db2.gz DDXIOTNTKGOXHQ-UHFFFAOYSA-N -1 3 366.385 0.839 20 50 FCGDHM O=C(NCCCc1ccccn1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823196299 946339435 /nfs/dbraw/zinc/33/94/35/946339435.db2.gz DDXIOTNTKGOXHQ-UHFFFAOYSA-N -1 3 366.385 0.839 20 50 FCGDHM O=C(NCCc1ccncc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823223813 946349243 /nfs/dbraw/zinc/34/92/43/946349243.db2.gz KHFROUIQXQBTSL-UHFFFAOYSA-N -1 3 352.358 0.448 20 50 FCGDHM O=C(NCCc1ccncc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823223813 946349252 /nfs/dbraw/zinc/34/92/52/946349252.db2.gz KHFROUIQXQBTSL-UHFFFAOYSA-N -1 3 352.358 0.448 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000823277289 946400531 /nfs/dbraw/zinc/40/05/31/946400531.db2.gz JCHJNVNFROOORA-GFCCVEGCSA-N -1 3 367.373 0.091 20 50 FCGDHM C[C@H]1CC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824907602 946987378 /nfs/dbraw/zinc/98/73/78/946987378.db2.gz JKXKCDRWURTEDE-GXFFZTMASA-N -1 3 372.385 0.607 20 50 FCGDHM C[C@H]1CC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824907602 946987389 /nfs/dbraw/zinc/98/73/89/946987389.db2.gz JKXKCDRWURTEDE-GXFFZTMASA-N -1 3 372.385 0.607 20 50 FCGDHM C[C@H]1CC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824908914 946988628 /nfs/dbraw/zinc/98/86/28/946988628.db2.gz ROSLNYJTGIKMPD-GXFFZTMASA-N -1 3 372.385 0.607 20 50 FCGDHM C[C@H]1CC[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824908914 946988631 /nfs/dbraw/zinc/98/86/31/946988631.db2.gz ROSLNYJTGIKMPD-GXFFZTMASA-N -1 3 372.385 0.607 20 50 FCGDHM C[C@H]1N(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCOC1(C)C ZINC000825011940 947042615 /nfs/dbraw/zinc/04/26/15/947042615.db2.gz ANRUOWYSDDUSQA-LLVKDONJSA-N -1 3 373.417 0.127 20 50 FCGDHM C[C@H]1N(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCOC1(C)C ZINC000825011940 947042625 /nfs/dbraw/zinc/04/26/25/947042625.db2.gz ANRUOWYSDDUSQA-LLVKDONJSA-N -1 3 373.417 0.127 20 50 FCGDHM COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(-c2nnn[n-]2)ccc1C ZINC000826160601 947506034 /nfs/dbraw/zinc/50/60/34/947506034.db2.gz YVXCYVNFDPAAPQ-JTQLQIEISA-N -1 3 363.378 0.379 20 50 FCGDHM COCCO[C@@H](C)C(=O)NNC(=O)Nc1cc(-c2nn[n-]n2)ccc1C ZINC000826160601 947506044 /nfs/dbraw/zinc/50/60/44/947506044.db2.gz YVXCYVNFDPAAPQ-JTQLQIEISA-N -1 3 363.378 0.379 20 50 FCGDHM Cc1ccc(NCC(=O)NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c(C)c1 ZINC000826291481 947846655 /nfs/dbraw/zinc/84/66/55/947846655.db2.gz INZSSDRIXHUNQF-UHFFFAOYSA-N -1 3 354.374 0.685 20 50 FCGDHM Cc1ccc(NCC(=O)NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c(C)c1 ZINC000826291481 947846661 /nfs/dbraw/zinc/84/66/61/947846661.db2.gz INZSSDRIXHUNQF-UHFFFAOYSA-N -1 3 354.374 0.685 20 50 FCGDHM CN1CCN(CCNC(=O)NNc2ccc(CC(=O)[O-])cc2)CC1(C)C ZINC001598618804 993953785 /nfs/dbraw/zinc/95/37/85/993953785.db2.gz WGESZYDIUODCNG-UHFFFAOYSA-N -1 3 363.462 0.966 20 50 FCGDHM CO[C@@H]1CCC[C@H]([C@H]([NH2+]CC(=O)N[N-]C(=O)c2cccs2)C(=O)[O-])C1 ZINC001599108182 997517651 /nfs/dbraw/zinc/51/76/51/997517651.db2.gz AYSGIFZVQVFALC-WDMOLILDSA-N -1 3 369.443 0.757 20 50 FCGDHM C[C@@H](Sc1nnnn1C1CC1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824762522 607343114 /nfs/dbraw/zinc/34/31/14/607343114.db2.gz GYKCXEWQDMGBBB-MRVPVSSYSA-N -1 3 372.418 0.812 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000826446613 607349762 /nfs/dbraw/zinc/34/97/62/607349762.db2.gz RSYIHBRRIZEVHT-CYBMUJFWSA-N -1 3 355.402 0.958 20 50 FCGDHM O=C(CCNC(=O)OCC(F)(F)F)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826407146 607354152 /nfs/dbraw/zinc/35/41/52/607354152.db2.gz CMSIHMPJDAKDMU-UHFFFAOYSA-N -1 3 373.295 0.988 20 50 FCGDHM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409489 607351734 /nfs/dbraw/zinc/35/17/34/607351734.db2.gz BHSJJMTYNCTHGM-STQMWFEESA-N -1 3 369.385 0.485 20 50 FCGDHM CCC(=O)N[C@H](CCSC)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825034726 607355113 /nfs/dbraw/zinc/35/51/13/607355113.db2.gz OCGUOSXHEUVEHI-GFCCVEGCSA-N -1 3 363.447 0.958 20 50 FCGDHM O=C(NNC(=O)[C@@H]1CCn2cncc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444371 607570949 /nfs/dbraw/zinc/57/09/49/607570949.db2.gz COJJGZXHHCZTQD-GFCCVEGCSA-N -1 3 352.358 0.087 20 50 FCGDHM O=C(NNC(=O)[C@@H]1CCn2cncc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444371 607570950 /nfs/dbraw/zinc/57/09/50/607570950.db2.gz COJJGZXHHCZTQD-GFCCVEGCSA-N -1 3 352.358 0.087 20 50 FCGDHM CS(=O)(=O)N1CCCC[C@H]1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826223380 607719024 /nfs/dbraw/zinc/71/90/24/607719024.db2.gz KSBUMKCCHLIHCG-LBPRGKRZSA-N -1 3 365.419 0.124 20 50 FCGDHM CS(=O)(=O)N1CCCC[C@H]1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826223380 607719025 /nfs/dbraw/zinc/71/90/25/607719025.db2.gz KSBUMKCCHLIHCG-LBPRGKRZSA-N -1 3 365.419 0.124 20 50 FCGDHM O=C(CNC(=O)NCc1ccco1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826412057 607731775 /nfs/dbraw/zinc/73/17/75/607731775.db2.gz ZKZXPVDNXVQNLK-UHFFFAOYSA-N -1 3 356.346 0.402 20 50 FCGDHM O=C(CNC(=O)NCc1ccco1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826412057 607731776 /nfs/dbraw/zinc/73/17/76/607731776.db2.gz ZKZXPVDNXVQNLK-UHFFFAOYSA-N -1 3 356.346 0.402 20 50 FCGDHM N#CCN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000826382117 607923783 /nfs/dbraw/zinc/92/37/83/607923783.db2.gz OZYJKPOUUZRTBC-UHFFFAOYSA-N -1 3 368.401 0.396 20 50 FCGDHM N#CCN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000826382117 607923784 /nfs/dbraw/zinc/92/37/84/607923784.db2.gz OZYJKPOUUZRTBC-UHFFFAOYSA-N -1 3 368.401 0.396 20 50 FCGDHM Cc1cc(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)ncn1 ZINC000826267051 607940159 /nfs/dbraw/zinc/94/01/59/607940159.db2.gz NDVUGSDUYVHELL-UHFFFAOYSA-N -1 3 353.346 0.109 20 50 FCGDHM Cc1cc(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)ncn1 ZINC000826267051 607940160 /nfs/dbraw/zinc/94/01/60/607940160.db2.gz NDVUGSDUYVHELL-UHFFFAOYSA-N -1 3 353.346 0.109 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)c1cn[nH]c1 ZINC000824500663 607959186 /nfs/dbraw/zinc/95/91/86/607959186.db2.gz ZBEDWCWGIARMAC-SECBINFHSA-N -1 3 371.361 0.060 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)c1cn[nH]c1 ZINC000824500663 607959187 /nfs/dbraw/zinc/95/91/87/607959187.db2.gz ZBEDWCWGIARMAC-SECBINFHSA-N -1 3 371.361 0.060 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccc[nH]1 ZINC000824498162 608032752 /nfs/dbraw/zinc/03/27/52/608032752.db2.gz CLXXXJIEAYZJDI-JTQLQIEISA-N -1 3 370.373 0.665 20 50 FCGDHM O=C(CN1CC[C@H](C(F)F)C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826410235 608044762 /nfs/dbraw/zinc/04/47/62/608044762.db2.gz HCCVXHVQVMFCHO-NSHDSACASA-N -1 3 365.344 0.215 20 50 FCGDHM O=C(CN1CC[C@H](C(F)F)C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826410235 608044763 /nfs/dbraw/zinc/04/47/63/608044763.db2.gz HCCVXHVQVMFCHO-NSHDSACASA-N -1 3 365.344 0.215 20 50 FCGDHM CCC(=O)NNC(=O)[C@H](C)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825034359 608068688 /nfs/dbraw/zinc/06/86/88/608068688.db2.gz IHYLUWATDRSLGO-FZMZJTMJSA-N -1 3 373.417 0.186 20 50 FCGDHM CCC(=O)NNC(=O)[C@H](C)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825034359 608068689 /nfs/dbraw/zinc/06/86/89/608068689.db2.gz IHYLUWATDRSLGO-FZMZJTMJSA-N -1 3 373.417 0.186 20 50 FCGDHM CC(=NNC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948666 608094279 /nfs/dbraw/zinc/09/42/79/608094279.db2.gz UDUGUBTUFRTRRC-QMMMGPOBSA-N -1 3 369.432 0.139 20 50 FCGDHM Cc1cccc(NC(=O)C(=O)NNc2ccc(Cl)nn2)c1-c1nn[n-]n1 ZINC000826298630 608141427 /nfs/dbraw/zinc/14/14/27/608141427.db2.gz BEINEMQAGDVDSF-UHFFFAOYSA-N -1 3 373.764 0.700 20 50 FCGDHM CCN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C[C@H]1CCCO1 ZINC000825395691 608154544 /nfs/dbraw/zinc/15/45/44/608154544.db2.gz UPWNJVZKTSYGEH-CQSZACIVSA-N -1 3 373.417 0.129 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826448425 608205102 /nfs/dbraw/zinc/20/51/02/608205102.db2.gz UZBFRNMKJNNYMO-CJNGLKHVSA-N -1 3 359.390 0.831 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000826448425 608205103 /nfs/dbraw/zinc/20/51/03/608205103.db2.gz UZBFRNMKJNNYMO-CJNGLKHVSA-N -1 3 359.390 0.831 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCCCC(N)=O)cc(-c2nnn[n-]2)n1C ZINC000826235766 608276854 /nfs/dbraw/zinc/27/68/54/608276854.db2.gz QNHNVRVSWWVRJP-GHXNOFRVSA-N -1 3 356.390 0.192 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCCCC(N)=O)cc(-c2nn[n-]n2)n1C ZINC000826235766 608276855 /nfs/dbraw/zinc/27/68/55/608276855.db2.gz QNHNVRVSWWVRJP-GHXNOFRVSA-N -1 3 356.390 0.192 20 50 FCGDHM COCC1(C)CCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826152949 608321027 /nfs/dbraw/zinc/32/10/27/608321027.db2.gz VFCBVYHRFUCYPA-UHFFFAOYSA-N -1 3 373.417 0.970 20 50 FCGDHM COCC1(C)CCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826152949 608321028 /nfs/dbraw/zinc/32/10/28/608321028.db2.gz VFCBVYHRFUCYPA-UHFFFAOYSA-N -1 3 373.417 0.970 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2C[C@H](CO)OC[C@@H]2C)cc(-c2nnn[n-]2)n1C ZINC000826235479 608620371 /nfs/dbraw/zinc/62/03/71/608620371.db2.gz KSDODYXSMAXPQN-GHUUCVSBSA-N -1 3 371.401 0.029 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2C[C@H](CO)OC[C@@H]2C)cc(-c2nn[n-]n2)n1C ZINC000826235479 608620374 /nfs/dbraw/zinc/62/03/74/608620374.db2.gz KSDODYXSMAXPQN-GHUUCVSBSA-N -1 3 371.401 0.029 20 50 FCGDHM CN(C)C(=O)Cn1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)n1 ZINC000825845407 608808864 /nfs/dbraw/zinc/80/88/64/608808864.db2.gz HTXJJRDPXQBFIH-UHFFFAOYSA-N -1 3 370.377 0.300 20 50 FCGDHM CN(C)C(=O)Cn1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)n1 ZINC000825845407 608808865 /nfs/dbraw/zinc/80/88/65/608808865.db2.gz HTXJJRDPXQBFIH-UHFFFAOYSA-N -1 3 370.377 0.300 20 50 FCGDHM O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826447515 609254416 /nfs/dbraw/zinc/25/44/16/609254416.db2.gz JNVUFXNLXWQAPG-ZDUSSCGKSA-N -1 3 355.314 0.952 20 50 FCGDHM O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826447515 609254418 /nfs/dbraw/zinc/25/44/18/609254418.db2.gz JNVUFXNLXWQAPG-ZDUSSCGKSA-N -1 3 355.314 0.952 20 50 FCGDHM O=C(CO)NNC(=O)c1cccc(Oc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826415180 609285371 /nfs/dbraw/zinc/28/53/71/609285371.db2.gz VLFYMWXFNHWIRH-UHFFFAOYSA-N -1 3 354.326 0.412 20 50 FCGDHM CCc1cnccc1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825739159 609444090 /nfs/dbraw/zinc/44/40/90/609444090.db2.gz APGKJIUONVUCOD-UHFFFAOYSA-N -1 3 366.385 0.968 20 50 FCGDHM CCc1cnccc1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825739159 609444092 /nfs/dbraw/zinc/44/40/92/609444092.db2.gz APGKJIUONVUCOD-UHFFFAOYSA-N -1 3 366.385 0.968 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H](CO)CC(F)(F)F ZINC000826445146 609444939 /nfs/dbraw/zinc/44/49/39/609444939.db2.gz ISSSRHDAAOUUBX-VIFPVBQESA-N -1 3 373.295 0.124 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H](CO)CC(F)(F)F ZINC000826445146 609444942 /nfs/dbraw/zinc/44/49/42/609444942.db2.gz ISSSRHDAAOUUBX-VIFPVBQESA-N -1 3 373.295 0.124 20 50 FCGDHM O=C(NNC(=O)c1cccc(OC(F)F)c1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826445141 609457686 /nfs/dbraw/zinc/45/76/86/609457686.db2.gz IMPHCENNVJMYIY-UHFFFAOYSA-N -1 3 363.284 0.871 20 50 FCGDHM NC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826389123 609506508 /nfs/dbraw/zinc/50/65/08/609506508.db2.gz QFHUCZIWHSDVCS-CQSZACIVSA-N -1 3 369.360 0.337 20 50 FCGDHM NC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826389123 609506511 /nfs/dbraw/zinc/50/65/11/609506511.db2.gz QFHUCZIWHSDVCS-CQSZACIVSA-N -1 3 369.360 0.337 20 50 FCGDHM N#CC1(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000737675032 945110283 /nfs/dbraw/zinc/11/02/83/945110283.db2.gz MFJMYRCUJNRAQN-UHFFFAOYSA-N -1 3 355.358 0.477 20 50 FCGDHM NC(=O)C(=O)NN=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000737731534 945118510 /nfs/dbraw/zinc/11/85/10/945118510.db2.gz SQRRNASFWAWKCY-UHFFFAOYSA-N -1 3 365.353 0.381 20 50 FCGDHM NC(=O)C(=O)NN=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000737731534 945118511 /nfs/dbraw/zinc/11/85/11/945118511.db2.gz SQRRNASFWAWKCY-UHFFFAOYSA-N -1 3 365.353 0.381 20 50 FCGDHM O=C(CC[C@H]1CCCCO1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737823562 945131367 /nfs/dbraw/zinc/13/13/67/945131367.db2.gz JCOHALIIACMTIK-CYBMUJFWSA-N -1 3 374.401 0.742 20 50 FCGDHM O=C(CN1CCc2ccccc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737885158 945144979 /nfs/dbraw/zinc/14/49/79/945144979.db2.gz UNMVFYCAHPWFOD-UHFFFAOYSA-N -1 3 363.381 0.690 20 50 FCGDHM O=C(CN1CCc2ccccc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737885158 945144982 /nfs/dbraw/zinc/14/49/82/945144982.db2.gz UNMVFYCAHPWFOD-UHFFFAOYSA-N -1 3 363.381 0.690 20 50 FCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)N[C@H]1CC=CCC1 ZINC000737932483 945159837 /nfs/dbraw/zinc/15/98/37/945159837.db2.gz XOQTYJXJZBRCBO-NSHDSACASA-N -1 3 357.374 0.685 20 50 FCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)N[C@H]1CC=CCC1 ZINC000737932483 945159847 /nfs/dbraw/zinc/15/98/47/945159847.db2.gz XOQTYJXJZBRCBO-NSHDSACASA-N -1 3 357.374 0.685 20 50 FCGDHM O=C(Cc1ccccn1)NNC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737973201 945168825 /nfs/dbraw/zinc/16/88/25/945168825.db2.gz CUEUESYEOVDYHO-UHFFFAOYSA-N -1 3 352.358 0.335 20 50 FCGDHM O=C(Cc1ccccn1)NNC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737973201 945168827 /nfs/dbraw/zinc/16/88/27/945168827.db2.gz CUEUESYEOVDYHO-UHFFFAOYSA-N -1 3 352.358 0.335 20 50 FCGDHM O=C(Cc1cn2ccccc2n1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737975208 945170394 /nfs/dbraw/zinc/17/03/94/945170394.db2.gz MUNJPNCHEALYBH-UHFFFAOYSA-N -1 3 362.353 0.518 20 50 FCGDHM O=C(Cc1cn2ccccc2n1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737975208 945170401 /nfs/dbraw/zinc/17/04/01/945170401.db2.gz MUNJPNCHEALYBH-UHFFFAOYSA-N -1 3 362.353 0.518 20 50 FCGDHM O=C(NC[C@@H](O)c1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738036409 945173965 /nfs/dbraw/zinc/17/39/65/945173965.db2.gz BXAJDXPAKJXTEF-CQSZACIVSA-N -1 3 367.369 0.544 20 50 FCGDHM O=C(NC[C@@H](O)c1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738036409 945173973 /nfs/dbraw/zinc/17/39/73/945173973.db2.gz BXAJDXPAKJXTEF-CQSZACIVSA-N -1 3 367.369 0.544 20 50 FCGDHM O=C(NNC(=O)c1cc2c([nH]c1=O)CCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000738136180 945231180 /nfs/dbraw/zinc/23/11/80/945231180.db2.gz GOZJZINWUIVTCT-UHFFFAOYSA-N -1 3 365.353 0.531 20 50 FCGDHM O=C(NNC(=O)c1cc2c([nH]c1=O)CCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000738136180 945231186 /nfs/dbraw/zinc/23/11/86/945231186.db2.gz GOZJZINWUIVTCT-UHFFFAOYSA-N -1 3 365.353 0.531 20 50 FCGDHM C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736099666 944739159 /nfs/dbraw/zinc/73/91/59/944739159.db2.gz HPJSOFGFACZLAJ-JTQLQIEISA-N -1 3 371.401 0.323 20 50 FCGDHM C[C@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736099666 944739165 /nfs/dbraw/zinc/73/91/65/944739165.db2.gz HPJSOFGFACZLAJ-JTQLQIEISA-N -1 3 371.401 0.323 20 50 FCGDHM C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736124807 944745686 /nfs/dbraw/zinc/74/56/86/944745686.db2.gz HZDPLWGNPVTAGR-VIFPVBQESA-N -1 3 369.341 0.039 20 50 FCGDHM C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736124807 944745692 /nfs/dbraw/zinc/74/56/92/944745692.db2.gz HZDPLWGNPVTAGR-VIFPVBQESA-N -1 3 369.341 0.039 20 50 FCGDHM C[C@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736262520 944778525 /nfs/dbraw/zinc/77/85/25/944778525.db2.gz NDXOYTNAOYPVOF-GXFFZTMASA-N -1 3 359.390 0.765 20 50 FCGDHM C[C@H]1CCCN(S(=O)(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736276444 944784282 /nfs/dbraw/zinc/78/42/82/944784282.db2.gz HVYJHMLTIRBYTC-JTQLQIEISA-N -1 3 365.419 0.078 20 50 FCGDHM C[C@H]1CCCN(S(=O)(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736276444 944784288 /nfs/dbraw/zinc/78/42/88/944784288.db2.gz HVYJHMLTIRBYTC-JTQLQIEISA-N -1 3 365.419 0.078 20 50 FCGDHM C[C@@H]1CN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC(C)(C)O1 ZINC000736282547 944786681 /nfs/dbraw/zinc/78/66/81/944786681.db2.gz YLVQBRXUJVPKIU-SNVBAGLBSA-N -1 3 359.390 0.720 20 50 FCGDHM C[C@@H]1CN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC(C)(C)O1 ZINC000736282547 944786685 /nfs/dbraw/zinc/78/66/85/944786685.db2.gz YLVQBRXUJVPKIU-SNVBAGLBSA-N -1 3 359.390 0.720 20 50 FCGDHM CCCNC(=O)CCCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736483470 944830227 /nfs/dbraw/zinc/83/02/27/944830227.db2.gz JSHCERWJNZUIPG-UHFFFAOYSA-N -1 3 359.390 0.324 20 50 FCGDHM CCCNC(=O)CCCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736483470 944830229 /nfs/dbraw/zinc/83/02/29/944830229.db2.gz JSHCERWJNZUIPG-UHFFFAOYSA-N -1 3 359.390 0.324 20 50 FCGDHM CCN(CC(=O)NNC(=O)C1CC1)[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736510675 944837341 /nfs/dbraw/zinc/83/73/41/944837341.db2.gz FJZBMZVTJFFSDT-NSHDSACASA-N -1 3 357.418 0.807 20 50 FCGDHM CCS(=O)(=O)CC(C)=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736657587 944863416 /nfs/dbraw/zinc/86/34/16/944863416.db2.gz UDSXYLLAFOXPCT-UHFFFAOYSA-N -1 3 366.403 0.172 20 50 FCGDHM CCS(=O)(=O)CC(C)=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736657587 944863420 /nfs/dbraw/zinc/86/34/20/944863420.db2.gz UDSXYLLAFOXPCT-UHFFFAOYSA-N -1 3 366.403 0.172 20 50 FCGDHM CN(CCn1cccn1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736814458 944893683 /nfs/dbraw/zinc/89/36/83/944893683.db2.gz JQWZTGWCCZYIJN-UHFFFAOYSA-N -1 3 355.362 0.050 20 50 FCGDHM CN(CCn1cccn1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736814458 944893684 /nfs/dbraw/zinc/89/36/84/944893684.db2.gz JQWZTGWCCZYIJN-UHFFFAOYSA-N -1 3 355.362 0.050 20 50 FCGDHM COCCCNC(=O)C(C#N)=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000736986499 944927622 /nfs/dbraw/zinc/92/76/22/944927622.db2.gz MSAPVNIQLAGJMR-KPKJPENVSA-N -1 3 352.358 0.574 20 50 FCGDHM COCCCNC(=O)C(C#N)=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000736986499 944927626 /nfs/dbraw/zinc/92/76/26/944927626.db2.gz MSAPVNIQLAGJMR-KPKJPENVSA-N -1 3 352.358 0.574 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)c2nncn2C)cc(-c2nnn[n-]2)n1C ZINC000737213705 945006684 /nfs/dbraw/zinc/00/66/84/945006684.db2.gz VZZFJVMZDKVYPK-UKWOQQOSSA-N -1 3 366.389 0.427 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)c2nncn2C)cc(-c2nn[n-]n2)n1C ZINC000737213705 945006696 /nfs/dbraw/zinc/00/66/96/945006696.db2.gz VZZFJVMZDKVYPK-UKWOQQOSSA-N -1 3 366.389 0.427 20 50 FCGDHM Cc1cccc(CC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737391638 945056554 /nfs/dbraw/zinc/05/65/54/945056554.db2.gz HFVWWWSIQMQZIU-UHFFFAOYSA-N -1 3 366.381 0.944 20 50 FCGDHM C[C@H](C[C@H]1CCOC1)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820233935 945393061 /nfs/dbraw/zinc/39/30/61/945393061.db2.gz MSTYZTAJSMPNOC-GHMZBOCLSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@H](C[C@H]1CCOC1)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820233935 945393073 /nfs/dbraw/zinc/39/30/73/945393073.db2.gz MSTYZTAJSMPNOC-GHMZBOCLSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@H](CCO)SCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820248567 945394598 /nfs/dbraw/zinc/39/45/98/945394598.db2.gz KHQVJWTVKGHGDL-SECBINFHSA-N -1 3 350.404 0.132 20 50 FCGDHM C[C@H](CCO)SCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820248567 945394607 /nfs/dbraw/zinc/39/46/07/945394607.db2.gz KHQVJWTVKGHGDL-SECBINFHSA-N -1 3 350.404 0.132 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)Cc1ccncc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820375035 945439325 /nfs/dbraw/zinc/43/93/25/945439325.db2.gz WKSWSGVZQVHCBR-NSHDSACASA-N -1 3 366.385 0.896 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)Cc1ccncc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820375035 945439333 /nfs/dbraw/zinc/43/93/33/945439333.db2.gz WKSWSGVZQVHCBR-NSHDSACASA-N -1 3 366.385 0.896 20 50 FCGDHM C[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC(C)(C)O1 ZINC000820753623 945553170 /nfs/dbraw/zinc/55/31/70/945553170.db2.gz ZUHOMYKIJJMGMK-NSHDSACASA-N -1 3 373.417 0.127 20 50 FCGDHM C[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC(C)(C)O1 ZINC000820753623 945553184 /nfs/dbraw/zinc/55/31/84/945553184.db2.gz ZUHOMYKIJJMGMK-NSHDSACASA-N -1 3 373.417 0.127 20 50 FCGDHM CC[C@@H](CCO)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000820901591 945585848 /nfs/dbraw/zinc/58/58/48/945585848.db2.gz CKTZFUKBAIZOCW-FUEWVNAISA-N -1 3 357.418 0.945 20 50 FCGDHM CC[C@@H](CCO)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000820901591 945585854 /nfs/dbraw/zinc/58/58/54/945585854.db2.gz CKTZFUKBAIZOCW-FUEWVNAISA-N -1 3 357.418 0.945 20 50 FCGDHM CCCN(CCC)S(=O)(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821099578 945636015 /nfs/dbraw/zinc/63/60/15/945636015.db2.gz JNQJMTCMRAQUEN-UHFFFAOYSA-N -1 3 367.435 0.468 20 50 FCGDHM CCCN(CCC)S(=O)(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821099578 945636018 /nfs/dbraw/zinc/63/60/18/945636018.db2.gz JNQJMTCMRAQUEN-UHFFFAOYSA-N -1 3 367.435 0.468 20 50 FCGDHM CN1C[C@H](C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1=O ZINC000821620841 945750791 /nfs/dbraw/zinc/75/07/91/945750791.db2.gz XSLPEUDPWKMRQH-SSDOTTSWSA-N -1 3 369.307 0.807 20 50 FCGDHM CN1C[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1=O ZINC000821620841 945750801 /nfs/dbraw/zinc/75/08/01/945750801.db2.gz XSLPEUDPWKMRQH-SSDOTTSWSA-N -1 3 369.307 0.807 20 50 FCGDHM COC[C@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000821682877 945806408 /nfs/dbraw/zinc/80/64/08/945806408.db2.gz PSPNACUXRZCTHH-LBPRGKRZSA-N -1 3 371.357 0.791 20 50 FCGDHM COC[C@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000821682877 945806416 /nfs/dbraw/zinc/80/64/16/945806416.db2.gz PSPNACUXRZCTHH-LBPRGKRZSA-N -1 3 371.357 0.791 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)C(C)(C)C)cc(-c2nnn[n-]2)n1C ZINC000822027386 945930578 /nfs/dbraw/zinc/93/05/78/945930578.db2.gz GUQKDKDAUISVBG-ZDWRTJATSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)C(C)(C)C)cc(-c2nn[n-]n2)n1C ZINC000822027386 945930587 /nfs/dbraw/zinc/93/05/87/945930587.db2.gz GUQKDKDAUISVBG-ZDWRTJATSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCc2ncc[nH]2)cc(-c2nn[n-]n2)n1C ZINC000822028565 945944032 /nfs/dbraw/zinc/94/40/32/945944032.db2.gz PWOQSILCULGFDD-GHXNOFRVSA-N -1 3 351.374 0.503 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H]2COC(C)(C)O2)cc(-c2nnn[n-]2)n1C ZINC000822029288 945954484 /nfs/dbraw/zinc/95/44/84/945954484.db2.gz WVPWZUWYFOXZHL-XLVZXTRVSA-N -1 3 371.401 0.688 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H]2COC(C)(C)O2)cc(-c2nn[n-]n2)n1C ZINC000822029288 945954497 /nfs/dbraw/zinc/95/44/97/945954497.db2.gz WVPWZUWYFOXZHL-XLVZXTRVSA-N -1 3 371.401 0.688 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@](C)(O)C(C)C)cc(-c2nnn[n-]2)n1C ZINC000822029426 945954628 /nfs/dbraw/zinc/95/46/28/945954628.db2.gz YOOOTPHCHMYVQH-LBWZGELYSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@](C)(O)C(C)C)cc(-c2nn[n-]n2)n1C ZINC000822029426 945954638 /nfs/dbraw/zinc/95/46/38/945954638.db2.gz YOOOTPHCHMYVQH-LBWZGELYSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OC[C@H]2COC(=O)O2)cc(-c2nnn[n-]2)n1C ZINC000822029437 945957151 /nfs/dbraw/zinc/95/71/51/945957151.db2.gz YRMLBSNHNRWAPA-LFJXOHPOSA-N -1 3 358.314 0.499 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OC[C@H]2COC(=O)O2)cc(-c2nn[n-]n2)n1C ZINC000822029437 945957161 /nfs/dbraw/zinc/95/71/61/945957161.db2.gz YRMLBSNHNRWAPA-LFJXOHPOSA-N -1 3 358.314 0.499 20 50 FCGDHM Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000822284300 946046640 /nfs/dbraw/zinc/04/66/40/946046640.db2.gz NXEDTMZJGSSJDZ-UHFFFAOYSA-N -1 3 369.341 0.121 20 50 FCGDHM Cc1cccc(C(=O)NNC(=O)COC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822284300 946046652 /nfs/dbraw/zinc/04/66/52/946046652.db2.gz NXEDTMZJGSSJDZ-UHFFFAOYSA-N -1 3 369.341 0.121 20 50 FCGDHM Cc1ccccc1CC(=O)NNC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000822355918 946067860 /nfs/dbraw/zinc/06/78/60/946067860.db2.gz AZBTTYXYZAXCPR-UHFFFAOYSA-N -1 3 365.397 0.977 20 50 FCGDHM Cn1c(NNC(=O)c2ccc(-c3nnn[n-]3)cc2)nc2ccccc2c1=O ZINC000822599143 946132688 /nfs/dbraw/zinc/13/26/88/946132688.db2.gz ARMQZGJTADWDHM-UHFFFAOYSA-N -1 3 362.353 0.871 20 50 FCGDHM Cn1c(NNC(=O)c2ccc(-c3nn[n-]n3)cc2)nc2ccccc2c1=O ZINC000822599143 946132699 /nfs/dbraw/zinc/13/26/99/946132699.db2.gz ARMQZGJTADWDHM-UHFFFAOYSA-N -1 3 362.353 0.871 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000822645676 946145512 /nfs/dbraw/zinc/14/55/12/946145512.db2.gz KDIDCJCEEDHAEF-UHFFFAOYSA-N -1 3 356.302 0.188 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000822645676 946145520 /nfs/dbraw/zinc/14/55/20/946145520.db2.gz KDIDCJCEEDHAEF-UHFFFAOYSA-N -1 3 356.302 0.188 20 50 FCGDHM Cn1ccc(CNC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822689576 946157947 /nfs/dbraw/zinc/15/79/47/946157947.db2.gz NAEPHIVPAMJMJP-UHFFFAOYSA-N -1 3 370.373 0.115 20 50 FCGDHM Cn1ccc(CNC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)c1 ZINC000822689594 946158662 /nfs/dbraw/zinc/15/86/62/946158662.db2.gz NWCYOIXZUUFJJF-UHFFFAOYSA-N -1 3 370.373 0.115 20 50 FCGDHM Cn1ccc(CNC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)c1 ZINC000822689594 946158665 /nfs/dbraw/zinc/15/86/65/946158665.db2.gz NWCYOIXZUUFJJF-UHFFFAOYSA-N -1 3 370.373 0.115 20 50 FCGDHM O=C(CCCC(=O)Nc1ccccc1-c1nnn[n-]1)NN=c1nccc[nH]1 ZINC000822955429 946233458 /nfs/dbraw/zinc/23/34/58/946233458.db2.gz VDBDLXGFMQVMGZ-UHFFFAOYSA-N -1 3 367.373 0.909 20 50 FCGDHM O=C(CCCC(=O)Nc1ccccc1-c1nn[n-]n1)NN=c1nccc[nH]1 ZINC000822955429 946233467 /nfs/dbraw/zinc/23/34/67/946233467.db2.gz VDBDLXGFMQVMGZ-UHFFFAOYSA-N -1 3 367.373 0.909 20 50 FCGDHM O=C(COC(=O)Cc1ccco1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823023255 946278230 /nfs/dbraw/zinc/27/82/30/946278230.db2.gz YOKGBIZWAYLEJB-UHFFFAOYSA-N -1 3 370.325 0.007 20 50 FCGDHM O=C(COC(=O)Cc1ccco1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823023255 946278248 /nfs/dbraw/zinc/27/82/48/946278248.db2.gz YOKGBIZWAYLEJB-UHFFFAOYSA-N -1 3 370.325 0.007 20 50 FCGDHM O=C(COC(=O)c1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823027629 946283901 /nfs/dbraw/zinc/28/39/01/946283901.db2.gz YRVBPXQUPVVQNR-UHFFFAOYSA-N -1 3 366.337 0.485 20 50 FCGDHM O=C(COC(=O)c1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823027629 946283906 /nfs/dbraw/zinc/28/39/06/946283906.db2.gz YRVBPXQUPVVQNR-UHFFFAOYSA-N -1 3 366.337 0.485 20 50 FCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=c1[nH]cccc1[N+](=O)[O-] ZINC000823049344 946293789 /nfs/dbraw/zinc/29/37/89/946293789.db2.gz CSZMNOMRLZCKRS-UHFFFAOYSA-N -1 3 356.302 0.692 20 50 FCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=c1[nH]cccc1[N+](=O)[O-] ZINC000823049344 946293794 /nfs/dbraw/zinc/29/37/94/946293794.db2.gz CSZMNOMRLZCKRS-UHFFFAOYSA-N -1 3 356.302 0.692 20 50 FCGDHM O=C(COc1ccccc1F)NNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823054857 946298074 /nfs/dbraw/zinc/29/80/74/946298074.db2.gz FXFINRZVKTZBHC-UHFFFAOYSA-N -1 3 370.344 0.775 20 50 FCGDHM O=C(COc1ccccc1F)NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823054857 946298081 /nfs/dbraw/zinc/29/80/81/946298081.db2.gz FXFINRZVKTZBHC-UHFFFAOYSA-N -1 3 370.344 0.775 20 50 FCGDHM O=C(COc1ccccc1O)NNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823054657 946298921 /nfs/dbraw/zinc/29/89/21/946298921.db2.gz CHIZOJZTRPNQND-UHFFFAOYSA-N -1 3 368.353 0.341 20 50 FCGDHM O=C(COc1ccccc1O)NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823054657 946298925 /nfs/dbraw/zinc/29/89/25/946298925.db2.gz CHIZOJZTRPNQND-UHFFFAOYSA-N -1 3 368.353 0.341 20 50 FCGDHM CC(=O)NC1CCC(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC001573494430 946302895 /nfs/dbraw/zinc/30/28/95/946302895.db2.gz LTVQACRTLDZXRS-UHFFFAOYSA-N -1 3 371.401 0.323 20 50 FCGDHM CC(=O)NC1CCC(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573494430 946302902 /nfs/dbraw/zinc/30/29/02/946302902.db2.gz LTVQACRTLDZXRS-UHFFFAOYSA-N -1 3 371.401 0.323 20 50 FCGDHM O=C(NNC(=O)N1CC[C@]2(CCOC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277266 946398847 /nfs/dbraw/zinc/39/88/47/946398847.db2.gz IPXMNLZVZRBQHB-INIZCTEOSA-N -1 3 357.374 0.334 20 50 FCGDHM O=C(NNC(=O)N1CC[C@]2(CCOC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277266 946398858 /nfs/dbraw/zinc/39/88/58/946398858.db2.gz IPXMNLZVZRBQHB-INIZCTEOSA-N -1 3 357.374 0.334 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H]1CCc2n[nH]cc2C1 ZINC000823277290 946399486 /nfs/dbraw/zinc/39/94/86/946399486.db2.gz JCHJNVNFROOORA-LBPRGKRZSA-N -1 3 367.373 0.091 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1csc2cncn21 ZINC000823277330 946400246 /nfs/dbraw/zinc/40/02/46/946400246.db2.gz KMBUWOOLCDKOEN-UHFFFAOYSA-N -1 3 354.355 0.651 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1csc2cncn21 ZINC000823277330 946400251 /nfs/dbraw/zinc/40/02/51/946400251.db2.gz KMBUWOOLCDKOEN-UHFFFAOYSA-N -1 3 354.355 0.651 20 50 FCGDHM O=C(NNC(=O)N1CCOC2(CCCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277352 946402026 /nfs/dbraw/zinc/40/20/26/946402026.db2.gz LPBHLUDOXCTOPP-UHFFFAOYSA-N -1 3 371.401 0.866 20 50 FCGDHM O=C(NNC(=O)N1CCOC2(CCCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277352 946402032 /nfs/dbraw/zinc/40/20/32/946402032.db2.gz LPBHLUDOXCTOPP-UHFFFAOYSA-N -1 3 371.401 0.866 20 50 FCGDHM CC[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CCCO1 ZINC000825134651 947094431 /nfs/dbraw/zinc/09/44/31/947094431.db2.gz WCSWXIXCILWMBE-QWHCGFSZSA-N -1 3 359.390 0.768 20 50 FCGDHM CC[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC000825134651 947094443 /nfs/dbraw/zinc/09/44/43/947094443.db2.gz WCSWXIXCILWMBE-QWHCGFSZSA-N -1 3 359.390 0.768 20 50 FCGDHM COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826160236 947503921 /nfs/dbraw/zinc/50/39/21/947503921.db2.gz KHMAOQOBNOUTPH-MRVPVSSYSA-N -1 3 367.341 0.210 20 50 FCGDHM COCCO[C@H](C)C(=O)NNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826160236 947503928 /nfs/dbraw/zinc/50/39/28/947503928.db2.gz KHMAOQOBNOUTPH-MRVPVSSYSA-N -1 3 367.341 0.210 20 50 FCGDHM O=C(NCC[C@@H]1CCCCO1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826436038 948291406 /nfs/dbraw/zinc/29/14/06/948291406.db2.gz FVADHIWGTKTUBJ-ZDUSSCGKSA-N -1 3 359.390 0.770 20 50 FCGDHM O=C(NCC[C@@H]1CCCCO1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826436038 948291414 /nfs/dbraw/zinc/29/14/14/948291414.db2.gz FVADHIWGTKTUBJ-ZDUSSCGKSA-N -1 3 359.390 0.770 20 50 FCGDHM CC(C)(C)OC(=O)N1CCO[C@@](C(=O)[O-])(C(=O)NNc2ccncc2)C1 ZINC001602893518 971812413 /nfs/dbraw/zinc/81/24/13/971812413.db2.gz ZZFLIOFDHRNVAO-MRXNPFEDSA-N -1 3 366.374 0.037 20 50 FCGDHM CO[C@@H]1CCC[C@@H]([C@H]([NH2+]CC(=O)N[N-]C(=O)c2cccs2)C(=O)[O-])C1 ZINC001599108176 997517748 /nfs/dbraw/zinc/51/77/48/997517748.db2.gz AYSGIFZVQVFALC-GYSYKLTISA-N -1 3 369.443 0.757 20 50 FCGDHM Cc1ccn2c(c1)ncc(C(=O)NNc1cccc(-c3nnn[n-]3)c1)c2=O ZINC000826308677 607336001 /nfs/dbraw/zinc/33/60/01/607336001.db2.gz KROQBWZWEORIEX-UHFFFAOYSA-N -1 3 362.353 0.940 20 50 FCGDHM Cc1ccn2c(c1)ncc(C(=O)NNc1cccc(-c3nn[n-]n3)c1)c2=O ZINC000826308677 607336003 /nfs/dbraw/zinc/33/60/03/607336003.db2.gz KROQBWZWEORIEX-UHFFFAOYSA-N -1 3 362.353 0.940 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCN1c1ncccn1 ZINC000826446246 607340874 /nfs/dbraw/zinc/34/08/74/607340874.db2.gz FENDUPJSUTZSJE-CYBMUJFWSA-N -1 3 351.374 0.769 20 50 FCGDHM CNS(=O)(=O)c1cccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826091227 607348147 /nfs/dbraw/zinc/34/81/47/607348147.db2.gz ZRDGAIZONYRIOC-UHFFFAOYSA-N -1 3 373.398 0.532 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000826446614 607349580 /nfs/dbraw/zinc/34/95/80/607349580.db2.gz RSYIHBRRIZEVHT-ZDUSSCGKSA-N -1 3 355.402 0.958 20 50 FCGDHM Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)ccc1S(N)(=O)=O ZINC000826259961 607350274 /nfs/dbraw/zinc/35/02/74/607350274.db2.gz OMXCRWSWTGTOGQ-UHFFFAOYSA-N -1 3 373.398 0.579 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000826482007 607353393 /nfs/dbraw/zinc/35/33/93/607353393.db2.gz OXGXSXBLUFAIQI-UHFFFAOYSA-N -1 3 351.326 0.955 20 50 FCGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C ZINC000826243583 607430528 /nfs/dbraw/zinc/43/05/28/607430528.db2.gz NMHFJOGAFSCKJY-LBPRGKRZSA-N -1 3 364.431 0.281 20 50 FCGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C ZINC000826243583 607430529 /nfs/dbraw/zinc/43/05/29/607430529.db2.gz NMHFJOGAFSCKJY-LBPRGKRZSA-N -1 3 364.431 0.281 20 50 FCGDHM NS(=O)(=O)c1ccc(NC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826395129 607672512 /nfs/dbraw/zinc/67/25/12/607672512.db2.gz ODGCBNAQEZPDST-UHFFFAOYSA-N -1 3 374.386 0.663 20 50 FCGDHM O=C(C[C@@H]1CSCCS1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826405168 607713556 /nfs/dbraw/zinc/71/35/56/607713556.db2.gz XEUHVUGZZKFUQX-LLVKDONJSA-N -1 3 364.456 0.866 20 50 FCGDHM O=C(C[C@@H]1CSCCS1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826405168 607713558 /nfs/dbraw/zinc/71/35/58/607713558.db2.gz XEUHVUGZZKFUQX-LLVKDONJSA-N -1 3 364.456 0.866 20 50 FCGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)ccc1-n1cnnn1 ZINC000826260140 607722298 /nfs/dbraw/zinc/72/22/98/607722298.db2.gz YFIJNVXCEFHVDS-UHFFFAOYSA-N -1 3 362.357 0.908 20 50 FCGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)ccc1-n1cnnn1 ZINC000826260140 607722299 /nfs/dbraw/zinc/72/22/99/607722299.db2.gz YFIJNVXCEFHVDS-UHFFFAOYSA-N -1 3 362.357 0.908 20 50 FCGDHM O=C(NCc1ccc(F)cc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826442060 607724541 /nfs/dbraw/zinc/72/45/41/607724541.db2.gz HSELZKNFOGUKGH-UHFFFAOYSA-N -1 3 355.333 0.765 20 50 FCGDHM O=C(NCc1ccc(F)cc1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826442060 607724542 /nfs/dbraw/zinc/72/45/42/607724542.db2.gz HSELZKNFOGUKGH-UHFFFAOYSA-N -1 3 355.333 0.765 20 50 FCGDHM O=C(NNC(=O)c1cccc(OC(F)F)c1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826445363 607726223 /nfs/dbraw/zinc/72/62/23/607726223.db2.gz QWZAOUVHFZHXRI-UHFFFAOYSA-N -1 3 363.284 0.871 20 50 FCGDHM O=C(NNC(=O)c1cccc(OC(F)F)c1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826445363 607726224 /nfs/dbraw/zinc/72/62/24/607726224.db2.gz QWZAOUVHFZHXRI-UHFFFAOYSA-N -1 3 363.284 0.871 20 50 FCGDHM C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000824816289 607727490 /nfs/dbraw/zinc/72/74/90/607727490.db2.gz ALSJVDKKXIHXHZ-INIZCTEOSA-N -1 3 370.373 0.030 20 50 FCGDHM C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000824816289 607727492 /nfs/dbraw/zinc/72/74/92/607727492.db2.gz ALSJVDKKXIHXHZ-INIZCTEOSA-N -1 3 370.373 0.030 20 50 FCGDHM NC(=O)NCc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826392740 607728334 /nfs/dbraw/zinc/72/83/34/607728334.db2.gz LMFCIPDGKRYONW-UHFFFAOYSA-N -1 3 352.358 0.792 20 50 FCGDHM NC(=O)NCc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826392740 607728335 /nfs/dbraw/zinc/72/83/35/607728335.db2.gz LMFCIPDGKRYONW-UHFFFAOYSA-N -1 3 352.358 0.792 20 50 FCGDHM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409761 607730107 /nfs/dbraw/zinc/73/01/07/607730107.db2.gz NYFDNJGOAYETTP-STQMWFEESA-N -1 3 369.385 0.485 20 50 FCGDHM O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409761 607730109 /nfs/dbraw/zinc/73/01/09/607730109.db2.gz NYFDNJGOAYETTP-STQMWFEESA-N -1 3 369.385 0.485 20 50 FCGDHM C[C@]12CCC(=O)N1[C@@H](C(=O)NNc1cccc(-c3nnn[n-]3)c1)CS2 ZINC000824851936 607730679 /nfs/dbraw/zinc/73/06/79/607730679.db2.gz FGAADGLPNZEZCU-ABAIWWIYSA-N -1 3 359.415 0.764 20 50 FCGDHM C[C@]12CCC(=O)N1[C@@H](C(=O)NNc1cccc(-c3nn[n-]n3)c1)CS2 ZINC000824851936 607730680 /nfs/dbraw/zinc/73/06/80/607730680.db2.gz FGAADGLPNZEZCU-ABAIWWIYSA-N -1 3 359.415 0.764 20 50 FCGDHM CS[C@@H](C)CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826226026 607782521 /nfs/dbraw/zinc/78/25/21/607782521.db2.gz QIKLMFZQLOXOPG-VIFPVBQESA-N -1 3 365.419 0.327 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC[C@H](O)CC2)cc(-c2nnn[n-]2)n1C ZINC000826236054 607808623 /nfs/dbraw/zinc/80/86/23/607808623.db2.gz XJAPMJPGUKUJOL-KTCGJBRTSA-N -1 3 355.402 0.840 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC[C@H](O)CC2)cc(-c2nn[n-]n2)n1C ZINC000826236054 607808624 /nfs/dbraw/zinc/80/86/24/607808624.db2.gz XJAPMJPGUKUJOL-KTCGJBRTSA-N -1 3 355.402 0.840 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCOC[C@@H](C)C2)cc(-c2nnn[n-]2)n1C ZINC000826235214 607825886 /nfs/dbraw/zinc/82/58/86/607825886.db2.gz FHVANHGJTVBNKB-RZBIUYHXSA-N -1 3 355.402 0.916 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCOC[C@@H](C)C2)cc(-c2nn[n-]n2)n1C ZINC000826235214 607825887 /nfs/dbraw/zinc/82/58/87/607825887.db2.gz FHVANHGJTVBNKB-RZBIUYHXSA-N -1 3 355.402 0.916 20 50 FCGDHM C[C@@H]1OCC[C@H]1SCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825022239 607845660 /nfs/dbraw/zinc/84/56/60/607845660.db2.gz WZBAYWDBASPWAO-JOYOIKCWSA-N -1 3 362.415 0.538 20 50 FCGDHM C[C@@H]1OCC[C@H]1SCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825022239 607845661 /nfs/dbraw/zinc/84/56/61/607845661.db2.gz WZBAYWDBASPWAO-JOYOIKCWSA-N -1 3 362.415 0.538 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1F ZINC000825892823 607925333 /nfs/dbraw/zinc/92/53/33/607925333.db2.gz UZIWKKYGVIFYAB-UHFFFAOYSA-N -1 3 369.360 0.903 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1F ZINC000825892823 607925334 /nfs/dbraw/zinc/92/53/34/607925334.db2.gz UZIWKKYGVIFYAB-UHFFFAOYSA-N -1 3 369.360 0.903 20 50 FCGDHM Cc1noc(C)c1N(C)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826339568 607925726 /nfs/dbraw/zinc/92/57/26/607925726.db2.gz JWJWFZPBJRMMAC-UHFFFAOYSA-N -1 3 370.373 0.369 20 50 FCGDHM Cc1noc(C)c1N(C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826339568 607925727 /nfs/dbraw/zinc/92/57/27/607925727.db2.gz JWJWFZPBJRMMAC-UHFFFAOYSA-N -1 3 370.373 0.369 20 50 FCGDHM CCCC[C@H](NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC000825266331 608097869 /nfs/dbraw/zinc/09/78/69/608097869.db2.gz FAVQKCHRTJAFQK-ZDUSSCGKSA-N -1 3 362.390 0.598 20 50 FCGDHM CCCC[C@@H](NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)OC ZINC000825266327 608097995 /nfs/dbraw/zinc/09/79/95/608097995.db2.gz FAVQKCHRTJAFQK-CYBMUJFWSA-N -1 3 362.390 0.598 20 50 FCGDHM CCC[C@@H](NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)C(=O)OC ZINC000825241946 608333886 /nfs/dbraw/zinc/33/38/86/608333886.db2.gz FGUHAQGLKUMLBK-FFXRNRBCSA-N -1 3 371.401 0.879 20 50 FCGDHM CCC[C@@H](NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C(=O)OC ZINC000825241946 608333887 /nfs/dbraw/zinc/33/38/87/608333887.db2.gz FGUHAQGLKUMLBK-FFXRNRBCSA-N -1 3 371.401 0.879 20 50 FCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@@H]1CCO[C@@H]1C ZINC000824739339 608882761 /nfs/dbraw/zinc/88/27/61/608882761.db2.gz WHCVDBPAKBNCIK-GBIKHYSHSA-N -1 3 360.374 0.206 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCc2ccn(C)n2)cc(-c2nnn[n-]2)n1C ZINC000826235804 609155356 /nfs/dbraw/zinc/15/53/56/609155356.db2.gz RRJXJFHFMMPJBO-WUXMJOGZSA-N -1 3 352.358 0.898 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCc2ccn(C)n2)cc(-c2nn[n-]n2)n1C ZINC000826235804 609155358 /nfs/dbraw/zinc/15/53/58/609155358.db2.gz RRJXJFHFMMPJBO-WUXMJOGZSA-N -1 3 352.358 0.898 20 50 FCGDHM Cc1nnc2n1C[C@@H](NC(=O)NNc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826337753 609181665 /nfs/dbraw/zinc/18/16/65/609181665.db2.gz ZZOIPBYFAIAWJA-LBPRGKRZSA-N -1 3 354.378 0.408 20 50 FCGDHM Cc1nnc2n1C[C@@H](NC(=O)NNc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826337753 609181667 /nfs/dbraw/zinc/18/16/67/609181667.db2.gz ZZOIPBYFAIAWJA-LBPRGKRZSA-N -1 3 354.378 0.408 20 50 FCGDHM O=C(NNc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826449350 609255093 /nfs/dbraw/zinc/25/50/93/609255093.db2.gz ODIFMQLDISNQKR-CYBMUJFWSA-N -1 3 355.314 0.952 20 50 FCGDHM O=C(NNc1cccc([N+](=O)[O-])c1)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826449350 609255094 /nfs/dbraw/zinc/25/50/94/609255094.db2.gz ODIFMQLDISNQKR-CYBMUJFWSA-N -1 3 355.314 0.952 20 50 FCGDHM Cc1nc(CN(C)C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)no1 ZINC000826325859 609297147 /nfs/dbraw/zinc/29/71/47/609297147.db2.gz OJVZQNMVSZNJAE-LFYBBSHMSA-N -1 3 367.373 0.771 20 50 FCGDHM Cc1nc(CN(C)C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)no1 ZINC000826325859 609297150 /nfs/dbraw/zinc/29/71/50/609297150.db2.gz OJVZQNMVSZNJAE-LFYBBSHMSA-N -1 3 367.373 0.771 20 50 FCGDHM CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000824108810 609307305 /nfs/dbraw/zinc/30/73/05/609307305.db2.gz KCFVUDFVSUOIEM-UHFFFAOYSA-N -1 3 363.353 0.981 20 50 FCGDHM CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000824108810 609307307 /nfs/dbraw/zinc/30/73/07/609307307.db2.gz KCFVUDFVSUOIEM-UHFFFAOYSA-N -1 3 363.353 0.981 20 50 FCGDHM COCCC[C@H](C)C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826155049 609315189 /nfs/dbraw/zinc/31/51/89/609315189.db2.gz DUMDEIVUWYKTGF-NSHDSACASA-N -1 3 362.390 0.456 20 50 FCGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNc1cc(Cl)ccn1 ZINC000826411739 609407219 /nfs/dbraw/zinc/40/72/19/609407219.db2.gz KVGHKZYZQNRWGB-UHFFFAOYSA-N -1 3 372.776 0.788 20 50 FCGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNc1cc(Cl)ccn1 ZINC000826411739 609407221 /nfs/dbraw/zinc/40/72/21/609407221.db2.gz KVGHKZYZQNRWGB-UHFFFAOYSA-N -1 3 372.776 0.788 20 50 FCGDHM CC(C)(C)C[C@H](CO)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824080169 609445127 /nfs/dbraw/zinc/44/51/27/609445127.db2.gz VROXQMJIEURPTN-GFCCVEGCSA-N -1 3 361.406 0.608 20 50 FCGDHM CC(C)(C)C[C@H](CO)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824080169 609445128 /nfs/dbraw/zinc/44/51/28/609445128.db2.gz VROXQMJIEURPTN-GFCCVEGCSA-N -1 3 361.406 0.608 20 50 FCGDHM Cc1nc(CC(=O)NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)cs1 ZINC000737474423 945076264 /nfs/dbraw/zinc/07/62/64/945076264.db2.gz OILIQRGSZWLWOF-UHFFFAOYSA-N -1 3 367.398 0.972 20 50 FCGDHM Cc1nc(CC(=O)NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)cs1 ZINC000737474423 945076271 /nfs/dbraw/zinc/07/62/71/945076271.db2.gz OILIQRGSZWLWOF-UHFFFAOYSA-N -1 3 367.398 0.972 20 50 FCGDHM Cc1noc(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)n1 ZINC000737544786 945091280 /nfs/dbraw/zinc/09/12/80/945091280.db2.gz ANJKLIPLSUTJLS-WCIBSUBMSA-N -1 3 353.346 0.428 20 50 FCGDHM Cc1noc(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1 ZINC000737544786 945091287 /nfs/dbraw/zinc/09/12/87/945091287.db2.gz ANJKLIPLSUTJLS-WCIBSUBMSA-N -1 3 353.346 0.428 20 50 FCGDHM O=C(CCNC(=O)c1ccco1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737846721 945136490 /nfs/dbraw/zinc/13/64/90/945136490.db2.gz LLYGYZQALLDDKG-UHFFFAOYSA-N -1 3 369.341 0.041 20 50 FCGDHM O=C(CCNC(=O)c1ccco1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737846721 945136497 /nfs/dbraw/zinc/13/64/97/945136497.db2.gz LLYGYZQALLDDKG-UHFFFAOYSA-N -1 3 369.341 0.041 20 50 FCGDHM O=C(CSC[C@@H]1CCCO1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737933693 945159615 /nfs/dbraw/zinc/15/96/15/945159615.db2.gz ZEDVPJSTCGMUSN-LBPRGKRZSA-N -1 3 362.415 0.540 20 50 FCGDHM O=C(CSC[C@@H]1CCCO1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737933693 945159621 /nfs/dbraw/zinc/15/96/21/945159621.db2.gz ZEDVPJSTCGMUSN-LBPRGKRZSA-N -1 3 362.415 0.540 20 50 FCGDHM O=C(Cc1ccc2c(c1)CCO2)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737965623 945167241 /nfs/dbraw/zinc/16/72/41/945167241.db2.gz BOVGDBRNIUHHIF-UHFFFAOYSA-N -1 3 364.365 0.805 20 50 FCGDHM O=C(Cc1ccc2c(c1)CCO2)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737965623 945167249 /nfs/dbraw/zinc/16/72/49/945167249.db2.gz BOVGDBRNIUHHIF-UHFFFAOYSA-N -1 3 364.365 0.805 20 50 FCGDHM O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737974593 945169299 /nfs/dbraw/zinc/16/92/99/945169299.db2.gz OSAWYBAEBIGCHN-UHFFFAOYSA-N -1 3 367.325 0.779 20 50 FCGDHM O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737974593 945169304 /nfs/dbraw/zinc/16/93/04/945169304.db2.gz OSAWYBAEBIGCHN-UHFFFAOYSA-N -1 3 367.325 0.779 20 50 FCGDHM O=C(Cn1ncc2ccccc21)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737986022 945170658 /nfs/dbraw/zinc/17/06/58/945170658.db2.gz RYMBDGKAXIWCJF-UHFFFAOYSA-N -1 3 362.353 0.678 20 50 FCGDHM O=C(Cn1ncc2ccccc21)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737986022 945170662 /nfs/dbraw/zinc/17/06/62/945170662.db2.gz RYMBDGKAXIWCJF-UHFFFAOYSA-N -1 3 362.353 0.678 20 50 FCGDHM O=C(Cn1ncc2ccccc21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737984253 945170693 /nfs/dbraw/zinc/17/06/93/945170693.db2.gz BCBHOJGKABSANV-UHFFFAOYSA-N -1 3 362.353 0.678 20 50 FCGDHM O=C(Cn1ncc2ccccc21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737984253 945170697 /nfs/dbraw/zinc/17/06/97/945170697.db2.gz BCBHOJGKABSANV-UHFFFAOYSA-N -1 3 362.353 0.678 20 50 FCGDHM O=C(NCC[C@@H](O)C(F)(F)F)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738057179 945180571 /nfs/dbraw/zinc/18/05/71/945180571.db2.gz YHAFCDTWHUCXOD-SECBINFHSA-N -1 3 373.295 0.124 20 50 FCGDHM O=C(NCC[C@@H](O)C(F)(F)F)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738057179 945180574 /nfs/dbraw/zinc/18/05/74/945180574.db2.gz YHAFCDTWHUCXOD-SECBINFHSA-N -1 3 373.295 0.124 20 50 FCGDHM O=C(NCCOCC(F)(F)F)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738082250 945183410 /nfs/dbraw/zinc/18/34/10/945183410.db2.gz KGVLHRCQRATKRU-UHFFFAOYSA-N -1 3 373.295 0.390 20 50 FCGDHM O=C(NCCOCC(F)(F)F)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738082250 945183416 /nfs/dbraw/zinc/18/34/16/945183416.db2.gz KGVLHRCQRATKRU-UHFFFAOYSA-N -1 3 373.295 0.390 20 50 FCGDHM O=Cc1ccc(OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000738314531 945259030 /nfs/dbraw/zinc/25/90/30/945259030.db2.gz USHWHXUOVDICRM-UHFFFAOYSA-N -1 3 366.337 0.519 20 50 FCGDHM O=Cc1ccc(OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000738314531 945259036 /nfs/dbraw/zinc/25/90/36/945259036.db2.gz USHWHXUOVDICRM-UHFFFAOYSA-N -1 3 366.337 0.519 20 50 FCGDHM O=Cc1cccc(OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000738318354 945259151 /nfs/dbraw/zinc/25/91/51/945259151.db2.gz QBBSUBFDILFUOJ-UHFFFAOYSA-N -1 3 366.337 0.519 20 50 FCGDHM O=Cc1cccc(OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000738318354 945259159 /nfs/dbraw/zinc/25/91/59/945259159.db2.gz QBBSUBFDILFUOJ-UHFFFAOYSA-N -1 3 366.337 0.519 20 50 FCGDHM C#CCNC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000819701448 945273186 /nfs/dbraw/zinc/27/31/86/945273186.db2.gz HTOPTESRMAVCNA-HKMIMPICSA-N -1 3 367.369 0.102 20 50 FCGDHM C#CCNC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000819701448 945273194 /nfs/dbraw/zinc/27/31/94/945273194.db2.gz HTOPTESRMAVCNA-HKMIMPICSA-N -1 3 367.369 0.102 20 50 FCGDHM CC(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820045911 945337015 /nfs/dbraw/zinc/33/70/15/945337015.db2.gz OMOPKGFTADWCDB-KGLIPLIRSA-N -1 3 373.417 0.872 20 50 FCGDHM CC(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820045911 945337024 /nfs/dbraw/zinc/33/70/24/945337024.db2.gz OMOPKGFTADWCDB-KGLIPLIRSA-N -1 3 373.417 0.872 20 50 FCGDHM CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735759004 944697965 /nfs/dbraw/zinc/69/79/65/944697965.db2.gz ODGABTNEUWMUTO-GFCCVEGCSA-N -1 3 359.434 0.881 20 50 FCGDHM CC(C)c1noc(CCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000735952620 944728471 /nfs/dbraw/zinc/72/84/71/944728471.db2.gz IRTLPDJFQNBKPL-UHFFFAOYSA-N -1 3 370.373 0.767 20 50 FCGDHM CC(C)c1noc(CCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000735952620 944728475 /nfs/dbraw/zinc/72/84/75/944728475.db2.gz IRTLPDJFQNBKPL-UHFFFAOYSA-N -1 3 370.373 0.767 20 50 FCGDHM CCC(=O)NNC(=O)[C@H](C)Sc1nc(C)nc(C)c1-c1nnn[n-]1 ZINC000736301500 944791113 /nfs/dbraw/zinc/79/11/13/944791113.db2.gz CZNDRZFWLLTMIY-ZETCQYMHSA-N -1 3 350.408 0.312 20 50 FCGDHM CCn1cc(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1=O ZINC000736723627 944879846 /nfs/dbraw/zinc/87/98/46/944879846.db2.gz WOCWSJXOSCNBAH-UHFFFAOYSA-N -1 3 368.357 0.515 20 50 FCGDHM CCn1cc(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1=O ZINC000736723627 944879850 /nfs/dbraw/zinc/87/98/50/944879850.db2.gz WOCWSJXOSCNBAH-UHFFFAOYSA-N -1 3 368.357 0.515 20 50 FCGDHM COC(=O)[C@@H](C)CN(C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736889182 944905505 /nfs/dbraw/zinc/90/55/05/944905505.db2.gz QUEKQXPWBNDVFQ-MBGMWABPSA-N -1 3 371.401 0.688 20 50 FCGDHM COC(=O)[C@@H](C)CN(C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736889182 944905506 /nfs/dbraw/zinc/90/55/06/944905506.db2.gz QUEKQXPWBNDVFQ-MBGMWABPSA-N -1 3 371.401 0.688 20 50 FCGDHM COCC[C@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736978132 944924588 /nfs/dbraw/zinc/92/45/88/944924588.db2.gz FNVFXNOYPKFWPC-JTQLQIEISA-N -1 3 363.378 0.001 20 50 FCGDHM COCC[C@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736978132 944924596 /nfs/dbraw/zinc/92/45/96/944924596.db2.gz FNVFXNOYPKFWPC-JTQLQIEISA-N -1 3 363.378 0.001 20 50 FCGDHM COc1cc(C)cc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1O ZINC000737039237 944938672 /nfs/dbraw/zinc/93/86/72/944938672.db2.gz CBPFPAOWSZNNOD-UHFFFAOYSA-N -1 3 368.353 0.964 20 50 FCGDHM COc1ccc(NC(=S)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000737103282 944959607 /nfs/dbraw/zinc/95/96/07/944959607.db2.gz GAQBSCMNEPVOKJ-UHFFFAOYSA-N -1 3 370.398 0.902 20 50 FCGDHM COc1ccc(NC(=S)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000737103282 944959612 /nfs/dbraw/zinc/95/96/12/944959612.db2.gz GAQBSCMNEPVOKJ-UHFFFAOYSA-N -1 3 370.398 0.902 20 50 FCGDHM COc1ccccc1C(=O)NNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000737137374 944966201 /nfs/dbraw/zinc/96/62/01/944966201.db2.gz GGVQTWHVOCSFHI-UHFFFAOYSA-N -1 3 368.353 0.715 20 50 FCGDHM COc1ccccc1C(=O)NNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000737137374 944966207 /nfs/dbraw/zinc/96/62/07/944966207.db2.gz GGVQTWHVOCSFHI-UHFFFAOYSA-N -1 3 368.353 0.715 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccnc1 ZINC000737194155 944980803 /nfs/dbraw/zinc/98/08/03/944980803.db2.gz CFTWDPCDPDZNSY-JTQLQIEISA-N -1 3 352.358 0.967 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccnc1 ZINC000737194155 944980806 /nfs/dbraw/zinc/98/08/06/944980806.db2.gz CFTWDPCDPDZNSY-JTQLQIEISA-N -1 3 352.358 0.967 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@]2(C)CCOC2)cc(-c2nnn[n-]2)n1C ZINC000737211816 944988208 /nfs/dbraw/zinc/98/82/08/944988208.db2.gz GALSFRAOMWXFGG-SDTVSMOJSA-N -1 3 355.402 0.963 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@]2(C)CCOC2)cc(-c2nn[n-]n2)n1C ZINC000737211816 944988216 /nfs/dbraw/zinc/98/82/16/944988216.db2.gz GALSFRAOMWXFGG-SDTVSMOJSA-N -1 3 355.402 0.963 20 50 FCGDHM Cc1ccc([C@H](O)CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737320634 945035828 /nfs/dbraw/zinc/03/58/28/945035828.db2.gz SQJYDVVPTPYCGF-GFCCVEGCSA-N -1 3 371.357 0.446 20 50 FCGDHM Cc1ccc([C@H](O)CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737320634 945035838 /nfs/dbraw/zinc/03/58/38/945035838.db2.gz SQJYDVVPTPYCGF-GFCCVEGCSA-N -1 3 371.357 0.446 20 50 FCGDHM C[C@H](O)CC(C)(C)CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820473940 945459214 /nfs/dbraw/zinc/45/92/14/945459214.db2.gz OKFAQEAOHWGPQV-JTQLQIEISA-N -1 3 361.406 0.608 20 50 FCGDHM C[C@H](O)CC(C)(C)CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820473940 945459222 /nfs/dbraw/zinc/45/92/22/945459222.db2.gz OKFAQEAOHWGPQV-JTQLQIEISA-N -1 3 361.406 0.608 20 50 FCGDHM C[C@@](O)(Cc1ccccc1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820468560 945460099 /nfs/dbraw/zinc/46/00/99/945460099.db2.gz VGPXWDAVMWHTKL-GOSISDBHSA-N -1 3 366.381 0.621 20 50 FCGDHM C[C@@](O)(Cc1ccccc1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820468560 945460103 /nfs/dbraw/zinc/46/01/03/945460103.db2.gz VGPXWDAVMWHTKL-GOSISDBHSA-N -1 3 366.381 0.621 20 50 FCGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)Cc1ccncc1 ZINC000820525187 945474438 /nfs/dbraw/zinc/47/44/38/945474438.db2.gz DXQNTVSSKMVJOX-LLVKDONJSA-N -1 3 367.369 0.419 20 50 FCGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@H]1CCCCO1 ZINC000820529153 945475207 /nfs/dbraw/zinc/47/52/07/945475207.db2.gz PIWQJPWVHBBFHO-ZWNOBZJWSA-N -1 3 360.374 0.351 20 50 FCGDHM C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820534161 945479674 /nfs/dbraw/zinc/47/96/74/945479674.db2.gz JGJAVDOGZFIRET-VIFPVBQESA-N -1 3 373.348 0.573 20 50 FCGDHM C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820534161 945479676 /nfs/dbraw/zinc/47/96/76/945479676.db2.gz JGJAVDOGZFIRET-VIFPVBQESA-N -1 3 373.348 0.573 20 50 FCGDHM C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820550732 945480786 /nfs/dbraw/zinc/48/07/86/945480786.db2.gz YMQZDXJBMSHQGU-SECBINFHSA-N -1 3 373.348 0.573 20 50 FCGDHM C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820550732 945480798 /nfs/dbraw/zinc/48/07/98/945480798.db2.gz YMQZDXJBMSHQGU-SECBINFHSA-N -1 3 373.348 0.573 20 50 FCGDHM CC[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H](C)O1 ZINC000820994645 945605497 /nfs/dbraw/zinc/60/54/97/945605497.db2.gz JOHJMBMRLZALCH-FZMZJTMJSA-N -1 3 373.417 0.127 20 50 FCGDHM CC[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC000820994645 945605503 /nfs/dbraw/zinc/60/55/03/945605503.db2.gz JOHJMBMRLZALCH-FZMZJTMJSA-N -1 3 373.417 0.127 20 50 FCGDHM CCC[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821014735 945614015 /nfs/dbraw/zinc/61/40/15/945614015.db2.gz KLRZOCAUYKZCPH-JTQLQIEISA-N -1 3 360.374 0.607 20 50 FCGDHM CCC[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821014735 945614021 /nfs/dbraw/zinc/61/40/21/945614021.db2.gz KLRZOCAUYKZCPH-JTQLQIEISA-N -1 3 360.374 0.607 20 50 FCGDHM CCn1c(=O)c2ccccc2[nH]c1=NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821563818 945716533 /nfs/dbraw/zinc/71/65/33/945716533.db2.gz GTUGYAVZJDPPHP-UHFFFAOYSA-N -1 3 365.357 0.682 20 50 FCGDHM CCn1c(=O)c2ccccc2[nH]c1=NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821563818 945716537 /nfs/dbraw/zinc/71/65/37/945716537.db2.gz GTUGYAVZJDPPHP-UHFFFAOYSA-N -1 3 365.357 0.682 20 50 FCGDHM CN(C)c1cccc(C(=O)NNC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000821589254 945727734 /nfs/dbraw/zinc/72/77/34/945727734.db2.gz FTOKCFGPZWQYAI-UHFFFAOYSA-N -1 3 365.397 0.936 20 50 FCGDHM CN(C)c1cccc(C(=O)NNC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000821589254 945727739 /nfs/dbraw/zinc/72/77/39/945727739.db2.gz FTOKCFGPZWQYAI-UHFFFAOYSA-N -1 3 365.397 0.936 20 50 FCGDHM CN(C)c1ccc(NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)nc2)cc1 ZINC000821589357 945728170 /nfs/dbraw/zinc/72/81/70/945728170.db2.gz KLTANQGTKSXXHT-UHFFFAOYSA-N -1 3 367.373 0.794 20 50 FCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C[C@@H]1CCCCO1 ZINC000821593591 945730611 /nfs/dbraw/zinc/73/06/11/945730611.db2.gz ACTYJEQZNOOFEC-AWEZNQCLSA-N -1 3 373.417 0.129 20 50 FCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C[C@@H]1CCCCO1 ZINC000821593591 945730614 /nfs/dbraw/zinc/73/06/14/945730614.db2.gz ACTYJEQZNOOFEC-AWEZNQCLSA-N -1 3 373.417 0.129 20 50 FCGDHM CNC(=O)[C@H](NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)C(C)C ZINC000821631610 945760228 /nfs/dbraw/zinc/76/02/28/945760228.db2.gz NIJXUNKPQHDHJQ-TZWLIRKLSA-N -1 3 370.417 0.307 20 50 FCGDHM CNC(=O)[C@H](NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C(C)C ZINC000821631610 945760235 /nfs/dbraw/zinc/76/02/35/945760235.db2.gz NIJXUNKPQHDHJQ-TZWLIRKLSA-N -1 3 370.417 0.307 20 50 FCGDHM COC(=O)[C@H](NNC(=O)c1ccccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645154 945769446 /nfs/dbraw/zinc/76/94/46/945769446.db2.gz SFNNUQGGPVTSOO-CYBMUJFWSA-N -1 3 353.342 0.410 20 50 FCGDHM COC(=O)[C@H](NNC(=O)c1ccccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645154 945769452 /nfs/dbraw/zinc/76/94/52/945769452.db2.gz SFNNUQGGPVTSOO-CYBMUJFWSA-N -1 3 353.342 0.410 20 50 FCGDHM CO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1(C)C ZINC000821677928 945794898 /nfs/dbraw/zinc/79/48/98/945794898.db2.gz GVPQRSIHCRGVMF-VXGBXAGGSA-N -1 3 359.390 0.624 20 50 FCGDHM CO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1(C)C ZINC000821677928 945794905 /nfs/dbraw/zinc/79/49/05/945794905.db2.gz GVPQRSIHCRGVMF-VXGBXAGGSA-N -1 3 359.390 0.624 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2COC(C)(C)O2)cc(-c2nnn[n-]2)n1C ZINC000822029284 945954348 /nfs/dbraw/zinc/95/43/48/945954348.db2.gz WVPWZUWYFOXZHL-QWGHSUKYSA-N -1 3 371.401 0.688 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2COC(C)(C)O2)cc(-c2nn[n-]n2)n1C ZINC000822029284 945954361 /nfs/dbraw/zinc/95/43/61/945954361.db2.gz WVPWZUWYFOXZHL-QWGHSUKYSA-N -1 3 371.401 0.688 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2COC(C)(C)O2)cc(-c2nnn[n-]2)n1C ZINC000822029292 945955959 /nfs/dbraw/zinc/95/59/59/945955959.db2.gz WVPWZUWYFOXZHL-YQJFHSMKSA-N -1 3 371.401 0.688 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2COC(C)(C)O2)cc(-c2nn[n-]n2)n1C ZINC000822029292 945955967 /nfs/dbraw/zinc/95/59/67/945955967.db2.gz WVPWZUWYFOXZHL-YQJFHSMKSA-N -1 3 371.401 0.688 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCCc2ccnn2C)cc(-c2nnn[n-]2)n1C ZINC000822029461 945956835 /nfs/dbraw/zinc/95/68/35/945956835.db2.gz ZCAXXLKCJRKCDZ-JYRVWZFOSA-N -1 3 366.385 0.940 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCCc2ccnn2C)cc(-c2nn[n-]n2)n1C ZINC000822029461 945956847 /nfs/dbraw/zinc/95/68/47/945956847.db2.gz ZCAXXLKCJRKCDZ-JYRVWZFOSA-N -1 3 366.385 0.940 20 50 FCGDHM Cc1ncc(CCNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822467355 946096820 /nfs/dbraw/zinc/09/68/20/946096820.db2.gz LWCFRYUNSDBNEG-UHFFFAOYSA-N -1 3 372.414 0.818 20 50 FCGDHM Cc1ncc(CCNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822467355 946096829 /nfs/dbraw/zinc/09/68/29/946096829.db2.gz LWCFRYUNSDBNEG-UHFFFAOYSA-N -1 3 372.414 0.818 20 50 FCGDHM Cn1c(CC(=O)NNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)nc2ccccc21 ZINC000822596888 946133702 /nfs/dbraw/zinc/13/37/02/946133702.db2.gz XXZBYQGZBSMOIG-UHFFFAOYSA-N -1 3 365.357 0.085 20 50 FCGDHM Cn1c(CC(=O)NNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)nc2ccccc21 ZINC000822596888 946133710 /nfs/dbraw/zinc/13/37/10/946133710.db2.gz XXZBYQGZBSMOIG-UHFFFAOYSA-N -1 3 365.357 0.085 20 50 FCGDHM Cn1c(=O)c2ccccc2[nH]c1=NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822600672 946136456 /nfs/dbraw/zinc/13/64/56/946136456.db2.gz PFAHEIDWWMZVOO-UHFFFAOYSA-N -1 3 351.330 0.199 20 50 FCGDHM Cn1c(=O)c2ccccc2[nH]c1=NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822600672 946136460 /nfs/dbraw/zinc/13/64/60/946136460.db2.gz PFAHEIDWWMZVOO-UHFFFAOYSA-N -1 3 351.330 0.199 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)c1c[nH]c2ccccc12 ZINC000822645680 946144931 /nfs/dbraw/zinc/14/49/31/946144931.db2.gz KJMXVUIIAPIJFL-UHFFFAOYSA-N -1 3 350.342 0.761 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)c1c[nH]c2ccccc12 ZINC000822645680 946144938 /nfs/dbraw/zinc/14/49/38/946144938.db2.gz KJMXVUIIAPIJFL-UHFFFAOYSA-N -1 3 350.342 0.761 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)c1cn(C)c2ccccc12 ZINC000822645831 946145245 /nfs/dbraw/zinc/14/52/45/946145245.db2.gz RIAYHGUVEZMFKQ-UHFFFAOYSA-N -1 3 364.369 0.772 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)c1cn(C)c2ccccc12 ZINC000822645831 946145247 /nfs/dbraw/zinc/14/52/47/946145247.db2.gz RIAYHGUVEZMFKQ-UHFFFAOYSA-N -1 3 364.369 0.772 20 50 FCGDHM O=C(CNC(=O)c1cccnc1)NN=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000823005602 946265162 /nfs/dbraw/zinc/26/51/62/946265162.db2.gz YMJPGUGHRUFAFW-UHFFFAOYSA-N -1 3 350.342 0.142 20 50 FCGDHM O=C(CNC(=O)c1cccnc1)NN=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000823005602 946265175 /nfs/dbraw/zinc/26/51/75/946265175.db2.gz YMJPGUGHRUFAFW-UHFFFAOYSA-N -1 3 350.342 0.142 20 50 FCGDHM O=C(COC(=O)C1CC=CC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018795 946276292 /nfs/dbraw/zinc/27/62/92/946276292.db2.gz XPTCGDWMVKSWRA-UHFFFAOYSA-N -1 3 356.342 0.137 20 50 FCGDHM O=C(COC(=O)C1CC=CC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018795 946276299 /nfs/dbraw/zinc/27/62/99/946276299.db2.gz XPTCGDWMVKSWRA-UHFFFAOYSA-N -1 3 356.342 0.137 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@@H]1CC12CCOCC2 ZINC000823037197 946287983 /nfs/dbraw/zinc/28/79/83/946287983.db2.gz SZHRMGCQRLKWMO-ZDUSSCGKSA-N -1 3 372.385 0.210 20 50 FCGDHM O=C(NCCc1cscn1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823223534 946348781 /nfs/dbraw/zinc/34/87/81/946348781.db2.gz BTEMGZHCVNZVMT-UHFFFAOYSA-N -1 3 358.387 0.510 20 50 FCGDHM O=C(NCCc1cscn1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823223534 946348791 /nfs/dbraw/zinc/34/87/91/946348791.db2.gz BTEMGZHCVNZVMT-UHFFFAOYSA-N -1 3 358.387 0.510 20 50 FCGDHM CCc1ccccc1OCC(=O)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825728339 947299865 /nfs/dbraw/zinc/29/98/65/947299865.db2.gz MWYZIBGIMVAIPD-UHFFFAOYSA-N -1 3 355.358 0.597 20 50 FCGDHM CCc1ccccc1OCC(=O)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825728339 947299876 /nfs/dbraw/zinc/29/98/76/947299876.db2.gz MWYZIBGIMVAIPD-UHFFFAOYSA-N -1 3 355.358 0.597 20 50 FCGDHM O=C(Cn1cc(Br)cn1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826424421 607335127 /nfs/dbraw/zinc/33/51/27/607335127.db2.gz LQQDEHBADXWNLU-UHFFFAOYSA-N -1 3 363.179 0.969 20 50 FCGDHM O=C(Cn1cc(Br)cn1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826424421 607335129 /nfs/dbraw/zinc/33/51/29/607335129.db2.gz LQQDEHBADXWNLU-UHFFFAOYSA-N -1 3 363.179 0.969 20 50 FCGDHM O=C(Cn1cnc2sccc2c1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826425589 607339680 /nfs/dbraw/zinc/33/96/80/607339680.db2.gz KLLUNNUNNJDQFI-UHFFFAOYSA-N -1 3 368.382 0.781 20 50 FCGDHM O=C(CS[C@@H]1CCS(=O)(=O)C1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826419583 607349725 /nfs/dbraw/zinc/34/97/25/607349725.db2.gz DOYVUXUHAAOUCG-LLVKDONJSA-N -1 3 368.444 0.230 20 50 FCGDHM CCc1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)[nH]c(C)c1C(N)=O ZINC000825686936 607350054 /nfs/dbraw/zinc/35/00/54/607350054.db2.gz CDZGFUDTANSDFV-UHFFFAOYSA-N -1 3 354.374 0.921 20 50 FCGDHM CCNC(=O)NC1(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC000825471139 607356531 /nfs/dbraw/zinc/35/65/31/607356531.db2.gz NXPQTIZMMYQQBT-UHFFFAOYSA-N -1 3 358.406 0.942 20 50 FCGDHM O=C(NNC(=O)[C@@H]1OCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444871 607558581 /nfs/dbraw/zinc/55/85/81/607558581.db2.gz XXZIGYSRWUFUED-OAHLLOKOSA-N -1 3 364.365 0.942 20 50 FCGDHM O=C(NNC(=O)[C@@H]1OCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444871 607558584 /nfs/dbraw/zinc/55/85/84/607558584.db2.gz XXZIGYSRWUFUED-OAHLLOKOSA-N -1 3 364.365 0.942 20 50 FCGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 ZINC000826249579 607677403 /nfs/dbraw/zinc/67/74/03/607677403.db2.gz JPKNKFHAWOJIDX-OAHLLOKOSA-N -1 3 364.365 0.940 20 50 FCGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)[C@H]1Cc2ccccc2O1 ZINC000826249579 607677404 /nfs/dbraw/zinc/67/74/04/607677404.db2.gz JPKNKFHAWOJIDX-OAHLLOKOSA-N -1 3 364.365 0.940 20 50 FCGDHM C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000824738108 607682241 /nfs/dbraw/zinc/68/22/41/607682241.db2.gz LYWAUHTWULPHOL-MRVPVSSYSA-N -1 3 359.321 0.562 20 50 FCGDHM C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000824738108 607682242 /nfs/dbraw/zinc/68/22/42/607682242.db2.gz LYWAUHTWULPHOL-MRVPVSSYSA-N -1 3 359.321 0.562 20 50 FCGDHM O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826445467 607688977 /nfs/dbraw/zinc/68/89/77/607688977.db2.gz VVSJMNWRTOPYOF-UHFFFAOYSA-N -1 3 355.314 0.041 20 50 FCGDHM O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826445467 607688979 /nfs/dbraw/zinc/68/89/79/607688979.db2.gz VVSJMNWRTOPYOF-UHFFFAOYSA-N -1 3 355.314 0.041 20 50 FCGDHM NC(=O)COc1cccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826391669 607717438 /nfs/dbraw/zinc/71/74/38/607717438.db2.gz WGGDZQJKTKPQAZ-UHFFFAOYSA-N -1 3 353.342 0.488 20 50 FCGDHM NC(=O)COc1cccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826391669 607717440 /nfs/dbraw/zinc/71/74/40/607717440.db2.gz WGGDZQJKTKPQAZ-UHFFFAOYSA-N -1 3 353.342 0.488 20 50 FCGDHM C[C@@H](CN1C[C@@H](C)O[C@H](C)C1)C(=O)NN=Cc1cccn1CC(=O)[O-] ZINC000833623310 605096609 /nfs/dbraw/zinc/09/66/09/605096609.db2.gz JYGMYSMATZUYLK-BFHYXJOUSA-N -1 3 350.419 0.768 20 50 FCGDHM CSCCNC(=S)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826229247 607783441 /nfs/dbraw/zinc/78/34/41/607783441.db2.gz WFSHBVQYGPYJCU-UHFFFAOYSA-N -1 3 367.460 0.104 20 50 FCGDHM CSCCNC(=S)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826229247 607783442 /nfs/dbraw/zinc/78/34/42/607783442.db2.gz WFSHBVQYGPYJCU-UHFFFAOYSA-N -1 3 367.460 0.104 20 50 FCGDHM CC1(C)C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824791292 607823281 /nfs/dbraw/zinc/82/32/81/607823281.db2.gz YGQIWKHDTUZTTR-LBPRGKRZSA-N -1 3 359.390 0.768 20 50 FCGDHM CC1(C)C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824791292 607823282 /nfs/dbraw/zinc/82/32/82/607823282.db2.gz YGQIWKHDTUZTTR-LBPRGKRZSA-N -1 3 359.390 0.768 20 50 FCGDHM C[C@H](C#N)CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000824034541 607924783 /nfs/dbraw/zinc/92/47/83/607924783.db2.gz LOEPQYKAXKCHCU-LLVKDONJSA-N -1 3 368.401 0.252 20 50 FCGDHM C[C@H](C#N)CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000824034541 607924784 /nfs/dbraw/zinc/92/47/84/607924784.db2.gz LOEPQYKAXKCHCU-LLVKDONJSA-N -1 3 368.401 0.252 20 50 FCGDHM O=C(NNC(=O)[C@@H]1CCc2n[nH]cc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444666 607936932 /nfs/dbraw/zinc/93/69/32/607936932.db2.gz PPLATVGINUJGJY-LLVKDONJSA-N -1 3 352.358 0.156 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2O)cc(-c2nnn[n-]2)n1C ZINC000826235947 607941498 /nfs/dbraw/zinc/94/14/98/607941498.db2.gz VBSHPVFGYLWCKX-OQPWTOSVSA-N -1 3 355.402 0.840 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2O)cc(-c2nn[n-]n2)n1C ZINC000826235947 607941499 /nfs/dbraw/zinc/94/14/99/607941499.db2.gz VBSHPVFGYLWCKX-OQPWTOSVSA-N -1 3 355.402 0.840 20 50 FCGDHM O=C(NNC(=S)NC[C@@H]1CCCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826445512 607967568 /nfs/dbraw/zinc/96/75/68/607967568.db2.gz XPINEBXQMMHSAW-LBPRGKRZSA-N -1 3 361.431 0.545 20 50 FCGDHM O=C(NNC(=S)NC[C@@H]1CCCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826445512 607967569 /nfs/dbraw/zinc/96/75/69/607967569.db2.gz XPINEBXQMMHSAW-LBPRGKRZSA-N -1 3 361.431 0.545 20 50 FCGDHM CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948220 608094990 /nfs/dbraw/zinc/09/49/90/608094990.db2.gz HWAOQTKUZZAOEF-UHFFFAOYSA-N -1 3 356.371 0.802 20 50 FCGDHM CCN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C[C@H](C)C#N ZINC000825395404 608154473 /nfs/dbraw/zinc/15/44/73/608154473.db2.gz OXINIANVFWQAJQ-LLVKDONJSA-N -1 3 356.390 0.109 20 50 FCGDHM CCN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C[C@H](C)C#N ZINC000825395404 608154474 /nfs/dbraw/zinc/15/44/74/608154474.db2.gz OXINIANVFWQAJQ-LLVKDONJSA-N -1 3 356.390 0.109 20 50 FCGDHM O=C(NNC(=O)N1CCOC2(CCC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826445084 608237419 /nfs/dbraw/zinc/23/74/19/608237419.db2.gz GLRQGCJZPPFFIB-UHFFFAOYSA-N -1 3 357.374 0.476 20 50 FCGDHM O=C(NNC(=O)N1CCOC2(CCC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826445084 608237421 /nfs/dbraw/zinc/23/74/21/608237421.db2.gz GLRQGCJZPPFFIB-UHFFFAOYSA-N -1 3 357.374 0.476 20 50 FCGDHM C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H](C)O1 ZINC000824894320 608401181 /nfs/dbraw/zinc/40/11/81/608401181.db2.gz YFKDBTSGZGKSRL-DDFAGTSDSA-N -1 3 359.390 0.767 20 50 FCGDHM C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC000824894320 608401183 /nfs/dbraw/zinc/40/11/83/608401183.db2.gz YFKDBTSGZGKSRL-DDFAGTSDSA-N -1 3 359.390 0.767 20 50 FCGDHM CO[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826145688 608409617 /nfs/dbraw/zinc/40/96/17/608409617.db2.gz KYFGGQOMLKFWMP-OLZOCXBDSA-N -1 3 359.390 0.626 20 50 FCGDHM CO[C@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826145688 608409618 /nfs/dbraw/zinc/40/96/18/608409618.db2.gz KYFGGQOMLKFWMP-OLZOCXBDSA-N -1 3 359.390 0.626 20 50 FCGDHM CCc1nn(C)cc1C=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825762650 608882746 /nfs/dbraw/zinc/88/27/46/608882746.db2.gz GEBPSNDDLPNDKH-UHFFFAOYSA-N -1 3 354.374 0.692 20 50 FCGDHM CC(=NNC(=O)C=C1CC(=O)NC(=O)N1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948452 609158895 /nfs/dbraw/zinc/15/88/95/609158895.db2.gz NHZQYCASVFOYCN-UHFFFAOYSA-N -1 3 372.320 0.290 20 50 FCGDHM CC(=NNC(=O)C=C1CC(=O)NC(=O)N1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948452 609158896 /nfs/dbraw/zinc/15/88/96/609158896.db2.gz NHZQYCASVFOYCN-UHFFFAOYSA-N -1 3 372.320 0.290 20 50 FCGDHM CCNC(=O)N(C)NC(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000825471458 609165800 /nfs/dbraw/zinc/16/58/00/609165800.db2.gz UMTUJBJEZSTAPA-UHFFFAOYSA-N -1 3 374.405 0.668 20 50 FCGDHM CCNC(=O)N(C)NC(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000825471458 609165802 /nfs/dbraw/zinc/16/58/02/609165802.db2.gz UMTUJBJEZSTAPA-UHFFFAOYSA-N -1 3 374.405 0.668 20 50 FCGDHM CCNC(=O)N(C)NC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825470365 609166057 /nfs/dbraw/zinc/16/60/57/609166057.db2.gz CBORGYFYJAGJHP-ZDUSSCGKSA-N -1 3 358.406 0.528 20 50 FCGDHM Cc1ccccc1C(=O)NNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826305735 609185544 /nfs/dbraw/zinc/18/55/44/609185544.db2.gz HHLPYSXBCJSFIG-AWEZNQCLSA-N -1 3 352.354 0.670 20 50 FCGDHM Cc1ccccc1C(=O)NNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826305735 609185545 /nfs/dbraw/zinc/18/55/45/609185545.db2.gz HHLPYSXBCJSFIG-AWEZNQCLSA-N -1 3 352.354 0.670 20 50 FCGDHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NNc2ccccn2)cc1 ZINC000826394867 609262983 /nfs/dbraw/zinc/26/29/83/609262983.db2.gz CHEDXWVYUDOICX-UHFFFAOYSA-N -1 3 362.357 0.787 20 50 FCGDHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NNc2ccccn2)cc1 ZINC000826394867 609262984 /nfs/dbraw/zinc/26/29/84/609262984.db2.gz CHEDXWVYUDOICX-UHFFFAOYSA-N -1 3 362.357 0.787 20 50 FCGDHM CC(=NNC(=O)C=C1CC(=O)NC(=O)N1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948236 609276675 /nfs/dbraw/zinc/27/66/75/609276675.db2.gz IKJDNTAYKPZXOS-UHFFFAOYSA-N -1 3 372.320 0.290 20 50 FCGDHM CC(=NNC(=O)C=C1CC(=O)NC(=O)N1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948236 609276676 /nfs/dbraw/zinc/27/66/76/609276676.db2.gz IKJDNTAYKPZXOS-UHFFFAOYSA-N -1 3 372.320 0.290 20 50 FCGDHM COC[C@H](CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)OC ZINC000826149184 609311759 /nfs/dbraw/zinc/31/17/59/609311759.db2.gz BFEINHPFHIOPBW-XLVZXTRVSA-N -1 3 359.390 0.198 20 50 FCGDHM COC[C@H](CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)OC ZINC000826149184 609311760 /nfs/dbraw/zinc/31/17/60/609311760.db2.gz BFEINHPFHIOPBW-XLVZXTRVSA-N -1 3 359.390 0.198 20 50 FCGDHM C[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H]1F ZINC000824953926 609373439 /nfs/dbraw/zinc/37/34/39/609373439.db2.gz IASLGSLCDDPSSQ-MFKMUULPSA-N -1 3 361.381 0.308 20 50 FCGDHM C[C@@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H]1F ZINC000824953926 609373442 /nfs/dbraw/zinc/37/34/42/609373442.db2.gz IASLGSLCDDPSSQ-MFKMUULPSA-N -1 3 361.381 0.308 20 50 FCGDHM Cc1nc2ccccn2c1C(=O)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826328732 609417536 /nfs/dbraw/zinc/41/75/36/609417536.db2.gz ASQVXIMSHLOGGJ-UHFFFAOYSA-N -1 3 351.330 0.226 20 50 FCGDHM Cc1nc2ccccn2c1C(=O)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826328732 609417539 /nfs/dbraw/zinc/41/75/39/609417539.db2.gz ASQVXIMSHLOGGJ-UHFFFAOYSA-N -1 3 351.330 0.226 20 50 FCGDHM O=C(CS[C@H]1CCCOC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826419648 609526281 /nfs/dbraw/zinc/52/62/81/609526281.db2.gz GNYRZWJUJDCGJU-LBPRGKRZSA-N -1 3 362.415 0.540 20 50 FCGDHM O=C(CS[C@H]1CCCOC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826419648 609526284 /nfs/dbraw/zinc/52/62/84/609526284.db2.gz GNYRZWJUJDCGJU-LBPRGKRZSA-N -1 3 362.415 0.540 20 50 FCGDHM COc1cccc(NNC(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)n1 ZINC000826216556 609593169 /nfs/dbraw/zinc/59/31/69/609593169.db2.gz DVNYKNNVNZZMGQ-UHFFFAOYSA-N -1 3 370.377 0.404 20 50 FCGDHM COc1cccc(NNC(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)n1 ZINC000826216556 609593171 /nfs/dbraw/zinc/59/31/71/609593171.db2.gz DVNYKNNVNZZMGQ-UHFFFAOYSA-N -1 3 370.377 0.404 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CCCOC1 ZINC000824498892 609600907 /nfs/dbraw/zinc/60/09/07/609600907.db2.gz MABIREVNNJYPOQ-MFKMUULPSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CCCOC1 ZINC000824498892 609600908 /nfs/dbraw/zinc/60/09/08/609600908.db2.gz MABIREVNNJYPOQ-MFKMUULPSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCOC1 ZINC000824498891 609601034 /nfs/dbraw/zinc/60/10/34/609601034.db2.gz MABIREVNNJYPOQ-GXFFZTMASA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCOC1 ZINC000824498891 609601036 /nfs/dbraw/zinc/60/10/36/609601036.db2.gz MABIREVNNJYPOQ-GXFFZTMASA-N -1 3 359.390 0.626 20 50 FCGDHM Cc1csc(=O)n1CCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737457581 945073575 /nfs/dbraw/zinc/07/35/75/945073575.db2.gz ZOIISVVZKPZLSF-UHFFFAOYSA-N -1 3 373.398 0.250 20 50 FCGDHM Cc1csc(=O)n1CCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737457581 945073585 /nfs/dbraw/zinc/07/35/85/945073585.db2.gz ZOIISVVZKPZLSF-UHFFFAOYSA-N -1 3 373.398 0.250 20 50 FCGDHM Cc1ncsc1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737503144 945083554 /nfs/dbraw/zinc/08/35/54/945083554.db2.gz JWAFBCIEQLOEHC-UHFFFAOYSA-N -1 3 358.387 0.776 20 50 FCGDHM Cc1ncsc1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737503144 945083562 /nfs/dbraw/zinc/08/35/62/945083562.db2.gz JWAFBCIEQLOEHC-UHFFFAOYSA-N -1 3 358.387 0.776 20 50 FCGDHM N#Cc1cccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737723226 945116506 /nfs/dbraw/zinc/11/65/06/945116506.db2.gz SLNIBKHYEMFNTA-UHFFFAOYSA-N -1 3 362.353 0.883 20 50 FCGDHM N#Cc1cccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737723226 945116510 /nfs/dbraw/zinc/11/65/10/945116510.db2.gz SLNIBKHYEMFNTA-UHFFFAOYSA-N -1 3 362.353 0.883 20 50 FCGDHM NC(=O)c1cccc(CCNC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737760216 945122643 /nfs/dbraw/zinc/12/26/43/945122643.db2.gz IXRLOSFTLZCYCS-UHFFFAOYSA-N -1 3 366.385 0.834 20 50 FCGDHM NC(=O)c1cccc(CCNC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737760216 945122656 /nfs/dbraw/zinc/12/26/56/945122656.db2.gz IXRLOSFTLZCYCS-UHFFFAOYSA-N -1 3 366.385 0.834 20 50 FCGDHM Nc1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1[N+](=O)[O-] ZINC000737774506 945124083 /nfs/dbraw/zinc/12/40/83/945124083.db2.gz QFVYLFLIUCIZDG-UHFFFAOYSA-N -1 3 368.313 0.432 20 50 FCGDHM Nc1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1[N+](=O)[O-] ZINC000737774506 945124088 /nfs/dbraw/zinc/12/40/88/945124088.db2.gz QFVYLFLIUCIZDG-UHFFFAOYSA-N -1 3 368.313 0.432 20 50 FCGDHM O=C(CNc1ccccc1)NNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737898211 945148485 /nfs/dbraw/zinc/14/84/85/945148485.db2.gz GDSPALMVMBOMIE-UHFFFAOYSA-N -1 3 351.370 0.669 20 50 FCGDHM O=C(CNc1ccccc1)NNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737898211 945148492 /nfs/dbraw/zinc/14/84/92/945148492.db2.gz GDSPALMVMBOMIE-UHFFFAOYSA-N -1 3 351.370 0.669 20 50 FCGDHM O=C(COc1ccccc1O)NNC(=O)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000737930624 945158156 /nfs/dbraw/zinc/15/81/56/945158156.db2.gz RKZYWIUUCZFFJH-UHFFFAOYSA-N -1 3 368.353 0.341 20 50 FCGDHM O=C(COc1ccccc1O)NNC(=O)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737930624 945158158 /nfs/dbraw/zinc/15/81/58/945158158.db2.gz RKZYWIUUCZFFJH-UHFFFAOYSA-N -1 3 368.353 0.341 20 50 FCGDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NNC(=O)Cc1ccccc1F ZINC000737959809 945166742 /nfs/dbraw/zinc/16/67/42/945166742.db2.gz BQQRIGJUUSGCAP-UHFFFAOYSA-N -1 3 354.345 0.938 20 50 FCGDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1ccccc1F ZINC000737959809 945166745 /nfs/dbraw/zinc/16/67/45/945166745.db2.gz BQQRIGJUUSGCAP-UHFFFAOYSA-N -1 3 354.345 0.938 20 50 FCGDHM O=C(NCCc1nccs1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738095192 945187367 /nfs/dbraw/zinc/18/73/67/945187367.db2.gz QARZUEAMMWLWAB-UHFFFAOYSA-N -1 3 358.387 0.510 20 50 FCGDHM O=C(NCCc1nccs1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738095192 945187370 /nfs/dbraw/zinc/18/73/70/945187370.db2.gz QARZUEAMMWLWAB-UHFFFAOYSA-N -1 3 358.387 0.510 20 50 FCGDHM O=C(NNc1cccnn1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738137816 945248769 /nfs/dbraw/zinc/24/87/69/945248769.db2.gz RZTXXRCORIGEHU-CYBMUJFWSA-N -1 3 351.374 0.769 20 50 FCGDHM C[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000819884391 945308104 /nfs/dbraw/zinc/30/81/04/945308104.db2.gz WANKDSVTGXFOEM-SNVBAGLBSA-N -1 3 374.401 0.853 20 50 FCGDHM C[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000819884391 945308106 /nfs/dbraw/zinc/30/81/06/945308106.db2.gz WANKDSVTGXFOEM-SNVBAGLBSA-N -1 3 374.401 0.853 20 50 FCGDHM CC(C)(C)CC(=O)NNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735593037 944676945 /nfs/dbraw/zinc/67/69/45/944676945.db2.gz FCYWGPZXRAYGEI-UHFFFAOYSA-N -1 3 359.390 0.180 20 50 FCGDHM CC(C)(C)CC(=O)NNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735593037 944676948 /nfs/dbraw/zinc/67/69/48/944676948.db2.gz FCYWGPZXRAYGEI-UHFFFAOYSA-N -1 3 359.390 0.180 20 50 FCGDHM CC(C)C(=O)NNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000735685731 944692693 /nfs/dbraw/zinc/69/26/93/944692693.db2.gz ZUXOUNHBVGYJNX-UHFFFAOYSA-N -1 3 355.362 0.052 20 50 FCGDHM CC(C)C(=O)NNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735685731 944692698 /nfs/dbraw/zinc/69/26/98/944692698.db2.gz ZUXOUNHBVGYJNX-UHFFFAOYSA-N -1 3 355.362 0.052 20 50 FCGDHM C[C@@H](NC(=O)c1ccoc1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736128388 944747601 /nfs/dbraw/zinc/74/76/01/944747601.db2.gz WSXRAYHTALXLHA-SECBINFHSA-N -1 3 369.341 0.039 20 50 FCGDHM C[C@@H](NC(=O)c1ccoc1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736128388 944747614 /nfs/dbraw/zinc/74/76/14/944747614.db2.gz WSXRAYHTALXLHA-SECBINFHSA-N -1 3 369.341 0.039 20 50 FCGDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNC(=O)Cc1cccnc1 ZINC000736184827 944756196 /nfs/dbraw/zinc/75/61/96/944756196.db2.gz OAGGLINXXBVOBY-NSHDSACASA-N -1 3 367.369 0.419 20 50 FCGDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNC(=O)Cc1cccnc1 ZINC000736184827 944756201 /nfs/dbraw/zinc/75/62/01/944756201.db2.gz OAGGLINXXBVOBY-NSHDSACASA-N -1 3 367.369 0.419 20 50 FCGDHM C[C@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736263816 944782724 /nfs/dbraw/zinc/78/27/24/944782724.db2.gz SRVKYTPJNAKXGI-CMPLNLGQSA-N -1 3 359.390 0.765 20 50 FCGDHM C[C@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736263816 944782735 /nfs/dbraw/zinc/78/27/35/944782735.db2.gz SRVKYTPJNAKXGI-CMPLNLGQSA-N -1 3 359.390 0.765 20 50 FCGDHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736325433 944801507 /nfs/dbraw/zinc/80/15/07/944801507.db2.gz JJVVXEXDCYYXAL-ZJUUUORDSA-N -1 3 374.405 0.114 20 50 FCGDHM CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736325433 944801511 /nfs/dbraw/zinc/80/15/11/944801511.db2.gz JJVVXEXDCYYXAL-ZJUUUORDSA-N -1 3 374.405 0.114 20 50 FCGDHM CCN(CC)C(=O)CCCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736525213 944837262 /nfs/dbraw/zinc/83/72/62/944837262.db2.gz ZXGDMNNPCPMDJX-UHFFFAOYSA-N -1 3 373.417 0.666 20 50 FCGDHM CCN(CC)C(=O)CCCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736525213 944837264 /nfs/dbraw/zinc/83/72/64/944837264.db2.gz ZXGDMNNPCPMDJX-UHFFFAOYSA-N -1 3 373.417 0.666 20 50 FCGDHM CCOC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736587010 944848741 /nfs/dbraw/zinc/84/87/41/944848741.db2.gz SKDMSSJIFVVHCE-OGGBREFQSA-N -1 3 358.358 0.915 20 50 FCGDHM CCOC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736587010 944848743 /nfs/dbraw/zinc/84/87/43/944848743.db2.gz SKDMSSJIFVVHCE-OGGBREFQSA-N -1 3 358.358 0.915 20 50 FCGDHM CN(C[C@H]1CCCOC1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736792893 944890615 /nfs/dbraw/zinc/89/06/15/944890615.db2.gz UENVQDYHAYXIIT-LLVKDONJSA-N -1 3 359.390 0.580 20 50 FCGDHM CN(C[C@H]1CCCOC1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736792893 944890619 /nfs/dbraw/zinc/89/06/19/944890619.db2.gz UENVQDYHAYXIIT-LLVKDONJSA-N -1 3 359.390 0.580 20 50 FCGDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NNC(=O)Cc1ccccn1 ZINC000736820490 944895627 /nfs/dbraw/zinc/89/56/27/944895627.db2.gz MZNKCMATKIDINJ-UHFFFAOYSA-N -1 3 366.385 0.677 20 50 FCGDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NNC(=O)Cc1ccccn1 ZINC000736820490 944895631 /nfs/dbraw/zinc/89/56/31/944895631.db2.gz MZNKCMATKIDINJ-UHFFFAOYSA-N -1 3 366.385 0.677 20 50 FCGDHM CNC(=O)CCCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736870419 944904397 /nfs/dbraw/zinc/90/43/97/944904397.db2.gz HMTLTCSWZFJRPF-GHXNOFRVSA-N -1 3 356.390 0.063 20 50 FCGDHM CNC(=O)CCCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736870419 944904403 /nfs/dbraw/zinc/90/44/03/944904403.db2.gz HMTLTCSWZFJRPF-GHXNOFRVSA-N -1 3 356.390 0.063 20 50 FCGDHM COC(=O)c1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000736950655 944916659 /nfs/dbraw/zinc/91/66/59/944916659.db2.gz KGZYIXGKWKEFCY-UHFFFAOYSA-N -1 3 366.337 0.728 20 50 FCGDHM COC(=O)c1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000736950655 944916669 /nfs/dbraw/zinc/91/66/69/944916669.db2.gz KGZYIXGKWKEFCY-UHFFFAOYSA-N -1 3 366.337 0.728 20 50 FCGDHM COCCCNC(=O)NNC(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000736984852 944927736 /nfs/dbraw/zinc/92/77/36/944927736.db2.gz CDEVLJUZTLHNSM-UHFFFAOYSA-N -1 3 365.419 0.326 20 50 FCGDHM COCCCNC(=O)NNC(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000736984852 944927741 /nfs/dbraw/zinc/92/77/41/944927741.db2.gz CDEVLJUZTLHNSM-UHFFFAOYSA-N -1 3 365.419 0.326 20 50 FCGDHM COc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000737093348 944958106 /nfs/dbraw/zinc/95/81/06/944958106.db2.gz VSWKKYDVHUWOQH-UHFFFAOYSA-N -1 3 368.357 0.415 20 50 FCGDHM COc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000737093348 944958108 /nfs/dbraw/zinc/95/81/08/944958108.db2.gz VSWKKYDVHUWOQH-UHFFFAOYSA-N -1 3 368.357 0.415 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC2(O)CCCC2)cc(-c2nnn[n-]2)n1C ZINC000737213503 945004338 /nfs/dbraw/zinc/00/43/38/945004338.db2.gz USDASYWRTKAKMT-NTUHNPAUSA-N -1 3 355.402 0.842 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC2(O)CCCC2)cc(-c2nn[n-]n2)n1C ZINC000737213503 945004352 /nfs/dbraw/zinc/00/43/52/945004352.db2.gz USDASYWRTKAKMT-NTUHNPAUSA-N -1 3 355.402 0.842 20 50 FCGDHM C[C@H](CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820225281 945388927 /nfs/dbraw/zinc/38/89/27/945388927.db2.gz FLQQKYSJGXIOFR-SNVBAGLBSA-N -1 3 372.385 0.607 20 50 FCGDHM C[C@H](CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820225281 945388941 /nfs/dbraw/zinc/38/89/41/945388941.db2.gz FLQQKYSJGXIOFR-SNVBAGLBSA-N -1 3 372.385 0.607 20 50 FCGDHM C[C@H](CCO)SCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820248447 945394276 /nfs/dbraw/zinc/39/42/76/945394276.db2.gz HTRCBVVSWMJCCS-SECBINFHSA-N -1 3 350.404 0.132 20 50 FCGDHM C[C@H](CCO)SCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820248447 945394280 /nfs/dbraw/zinc/39/42/80/945394280.db2.gz HTRCBVVSWMJCCS-SECBINFHSA-N -1 3 350.404 0.132 20 50 FCGDHM C[C@@H](O)CC(C)(C)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820473696 945459588 /nfs/dbraw/zinc/45/95/88/945459588.db2.gz JVBXZEZJWZYDJM-SNVBAGLBSA-N -1 3 361.406 0.608 20 50 FCGDHM C[C@@H](O)CC(C)(C)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820473696 945459596 /nfs/dbraw/zinc/45/95/96/945459596.db2.gz JVBXZEZJWZYDJM-SNVBAGLBSA-N -1 3 361.406 0.608 20 50 FCGDHM C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820536078 945478555 /nfs/dbraw/zinc/47/85/55/945478555.db2.gz RUZFRCBZIKQVHP-QMMMGPOBSA-N -1 3 359.321 0.562 20 50 FCGDHM C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820536078 945478567 /nfs/dbraw/zinc/47/85/67/945478567.db2.gz RUZFRCBZIKQVHP-QMMMGPOBSA-N -1 3 359.321 0.562 20 50 FCGDHM C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820549105 945481136 /nfs/dbraw/zinc/48/11/36/945481136.db2.gz KFIRQQOMJINCCW-MRVPVSSYSA-N -1 3 359.321 0.562 20 50 FCGDHM C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820549105 945481144 /nfs/dbraw/zinc/48/11/44/945481144.db2.gz KFIRQQOMJINCCW-MRVPVSSYSA-N -1 3 359.321 0.562 20 50 FCGDHM C[C@H]1N(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCOC1(C)C ZINC000820820984 945561051 /nfs/dbraw/zinc/56/10/51/945561051.db2.gz QUOGLMKGVZPSMK-SNVBAGLBSA-N -1 3 359.390 0.720 20 50 FCGDHM C[C@H]1N(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCOC1(C)C ZINC000820820984 945561058 /nfs/dbraw/zinc/56/10/58/945561058.db2.gz QUOGLMKGVZPSMK-SNVBAGLBSA-N -1 3 359.390 0.720 20 50 FCGDHM CC[C@@H]1CC[C@@H](C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820971268 945600506 /nfs/dbraw/zinc/60/05/06/945600506.db2.gz AHZCPGDBVISCQV-YPMHNXCESA-N -1 3 360.374 0.351 20 50 FCGDHM CCOC(=O)[C@@H](C)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821313904 945667757 /nfs/dbraw/zinc/66/77/57/945667757.db2.gz JEYYIBBQZHTGSI-MBGMWABPSA-N -1 3 371.401 0.736 20 50 FCGDHM CCOC(=O)[C@@H](C)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821313904 945667761 /nfs/dbraw/zinc/66/77/61/945667761.db2.gz JEYYIBBQZHTGSI-MBGMWABPSA-N -1 3 371.401 0.736 20 50 FCGDHM CCc1noc(CC)c1CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821554760 945714516 /nfs/dbraw/zinc/71/45/16/945714516.db2.gz RAXSTDSUKBOGBI-UHFFFAOYSA-N -1 3 369.385 0.983 20 50 FCGDHM CCc1noc(CC)c1CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821554760 945714526 /nfs/dbraw/zinc/71/45/26/945714526.db2.gz RAXSTDSUKBOGBI-UHFFFAOYSA-N -1 3 369.385 0.983 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cc1nccs1 ZINC000821594045 945731680 /nfs/dbraw/zinc/73/16/80/945731680.db2.gz WOENVFPUXNYTDY-UHFFFAOYSA-N -1 3 372.414 0.216 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cc1nccs1 ZINC000821594045 945731682 /nfs/dbraw/zinc/73/16/82/945731682.db2.gz WOENVFPUXNYTDY-UHFFFAOYSA-N -1 3 372.414 0.216 20 50 FCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)Cc1cscn1 ZINC000821594032 945731787 /nfs/dbraw/zinc/73/17/87/945731787.db2.gz VRJMIUIMWZZQEH-UHFFFAOYSA-N -1 3 372.414 0.216 20 50 FCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)Cc1cscn1 ZINC000821594032 945731793 /nfs/dbraw/zinc/73/17/93/945731793.db2.gz VRJMIUIMWZZQEH-UHFFFAOYSA-N -1 3 372.414 0.216 20 50 FCGDHM CN(CCOCC1CC1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821604001 945739264 /nfs/dbraw/zinc/73/92/64/945739264.db2.gz YZWFGEMYGCIGMU-UHFFFAOYSA-N -1 3 359.390 0.580 20 50 FCGDHM CN(CCOCC1CC1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821604001 945739277 /nfs/dbraw/zinc/73/92/77/945739277.db2.gz YZWFGEMYGCIGMU-UHFFFAOYSA-N -1 3 359.390 0.580 20 50 FCGDHM CNC(=O)[C@@H](C)CN(C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821629817 945758247 /nfs/dbraw/zinc/75/82/47/945758247.db2.gz CJDJYABZQMQWMM-FYTLYHSASA-N -1 3 370.417 0.261 20 50 FCGDHM CNC(=O)[C@@H](C)CN(C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821629817 945758254 /nfs/dbraw/zinc/75/82/54/945758254.db2.gz CJDJYABZQMQWMM-FYTLYHSASA-N -1 3 370.417 0.261 20 50 FCGDHM COC(=O)C(C)(C)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821637848 945762459 /nfs/dbraw/zinc/76/24/59/945762459.db2.gz WIMYRYHMYRGBTO-SDQBBNPISA-N -1 3 371.401 0.736 20 50 FCGDHM COC(=O)C(C)(C)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821637848 945762470 /nfs/dbraw/zinc/76/24/70/945762470.db2.gz WIMYRYHMYRGBTO-SDQBBNPISA-N -1 3 371.401 0.736 20 50 FCGDHM COC(=O)[C@H](NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cccnc1 ZINC000821644875 945770362 /nfs/dbraw/zinc/77/03/62/945770362.db2.gz LLDCGRPTZZPZMC-CYBMUJFWSA-N -1 3 353.342 0.410 20 50 FCGDHM COC(=O)[C@H](NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cccnc1 ZINC000821644875 945770366 /nfs/dbraw/zinc/77/03/66/945770366.db2.gz LLDCGRPTZZPZMC-CYBMUJFWSA-N -1 3 353.342 0.410 20 50 FCGDHM COC(=O)[C@H](NNC(=O)CCc1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644766 945770575 /nfs/dbraw/zinc/77/05/75/945770575.db2.gz IPIZQAANHCXHKC-OAHLLOKOSA-N -1 3 370.369 0.927 20 50 FCGDHM COC(=O)[C@H](NNC(=O)CCc1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644766 945770583 /nfs/dbraw/zinc/77/05/83/945770583.db2.gz IPIZQAANHCXHKC-OAHLLOKOSA-N -1 3 370.369 0.927 20 50 FCGDHM COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821655966 945779454 /nfs/dbraw/zinc/77/94/54/945779454.db2.gz VBVIOXCJTZNZQF-CHWSQXEVSA-N -1 3 372.385 0.607 20 50 FCGDHM COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821655966 945779459 /nfs/dbraw/zinc/77/94/59/945779459.db2.gz VBVIOXCJTZNZQF-CHWSQXEVSA-N -1 3 372.385 0.607 20 50 FCGDHM COC(=O)c1cc(C=NNC(=O)COc2ccccc2-c2nnn[n-]2)c[nH]1 ZINC000821666789 945786944 /nfs/dbraw/zinc/78/69/44/945786944.db2.gz GBDPNHZLDHJTQA-UHFFFAOYSA-N -1 3 369.341 0.511 20 50 FCGDHM COC(=O)c1cc(C=NNC(=O)COc2ccccc2-c2nn[n-]n2)c[nH]1 ZINC000821666789 945786954 /nfs/dbraw/zinc/78/69/54/945786954.db2.gz GBDPNHZLDHJTQA-UHFFFAOYSA-N -1 3 369.341 0.511 20 50 FCGDHM COCCC1(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000821685699 945810266 /nfs/dbraw/zinc/81/02/66/945810266.db2.gz MUMQFHUKYBKSHR-UHFFFAOYSA-N -1 3 374.401 0.600 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCCc2cn[nH]c2)cc(-c2nnn[n-]2)n1C ZINC000822026852 945925357 /nfs/dbraw/zinc/92/53/57/945925357.db2.gz APLHEUKJSWVRGB-WLRTZDKTSA-N -1 3 352.358 0.930 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCCc2cn[nH]c2)cc(-c2nn[n-]n2)n1C ZINC000822026852 945925364 /nfs/dbraw/zinc/92/53/64/945925364.db2.gz APLHEUKJSWVRGB-WLRTZDKTSA-N -1 3 352.358 0.930 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)C(=O)NC2CC2)cc(-c2nnn[n-]2)n1C ZINC000822027833 945937453 /nfs/dbraw/zinc/93/74/53/945937453.db2.gz JYALEZAQHMMJBR-HAAVITCDSA-N -1 3 369.385 0.631 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)C(=O)NC2CC2)cc(-c2nn[n-]n2)n1C ZINC000822027833 945937459 /nfs/dbraw/zinc/93/74/59/945937459.db2.gz JYALEZAQHMMJBR-HAAVITCDSA-N -1 3 369.385 0.631 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)C(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000822028661 945946009 /nfs/dbraw/zinc/94/60/09/945946009.db2.gz RMDSTQKOYFDZNT-DKSFEKEHSA-N -1 3 369.307 0.460 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)C(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000822028661 945946019 /nfs/dbraw/zinc/94/60/19/945946019.db2.gz RMDSTQKOYFDZNT-DKSFEKEHSA-N -1 3 369.307 0.460 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)NCCc1cccs1 ZINC000822645926 946147357 /nfs/dbraw/zinc/14/73/57/946147357.db2.gz XHYLKJPQBSVVIH-UHFFFAOYSA-N -1 3 360.403 0.453 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)NCCc1cccs1 ZINC000822645926 946147362 /nfs/dbraw/zinc/14/73/62/946147362.db2.gz XHYLKJPQBSVVIH-UHFFFAOYSA-N -1 3 360.403 0.453 20 50 FCGDHM Cn1ncc2cc(C(=O)NNC(=O)c3ccc(-c4nnn[n-]4)cc3)cnc21 ZINC000822708654 946164350 /nfs/dbraw/zinc/16/43/50/946164350.db2.gz ASPRPHRQPXAHLK-UHFFFAOYSA-N -1 3 363.341 0.223 20 50 FCGDHM Cn1ncc2cc(C(=O)NNC(=O)c3ccc(-c4nn[n-]n4)cc3)cnc21 ZINC000822708654 946164361 /nfs/dbraw/zinc/16/43/61/946164361.db2.gz ASPRPHRQPXAHLK-UHFFFAOYSA-N -1 3 363.341 0.223 20 50 FCGDHM O=C(CNC(=O)c1cccnc1)NN=Cc1cccc(-c2nnn[n-]2)c1 ZINC000823005486 946264409 /nfs/dbraw/zinc/26/44/09/946264409.db2.gz SZEJPRPEECXKRE-UHFFFAOYSA-N -1 3 350.342 0.142 20 50 FCGDHM O=C(CNC(=O)c1cccnc1)NN=Cc1cccc(-c2nn[n-]n2)c1 ZINC000823005486 946264419 /nfs/dbraw/zinc/26/44/19/946264419.db2.gz SZEJPRPEECXKRE-UHFFFAOYSA-N -1 3 350.342 0.142 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)C1CC(F)(F)C1 ZINC000823036397 946284097 /nfs/dbraw/zinc/28/40/97/946284097.db2.gz AXSZVVJFUXFKTO-UHFFFAOYSA-N -1 3 352.301 0.438 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@H](O)c1ccccc1 ZINC000823037186 946286876 /nfs/dbraw/zinc/28/68/76/946286876.db2.gz SQWOMUMNOKJCOH-OAHLLOKOSA-N -1 3 368.353 0.127 20 50 FCGDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NN=c1[nH]cccc1[N+](=O)[O-] ZINC000823044560 946291392 /nfs/dbraw/zinc/29/13/92/946291392.db2.gz VLBVKXZVRBHIQP-UHFFFAOYSA-N -1 3 356.302 0.692 20 50 FCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)N[C@H]1CCSC1 ZINC000823049341 946293568 /nfs/dbraw/zinc/29/35/68/946293568.db2.gz COAGKCIVSRPUAW-VIFPVBQESA-N -1 3 363.403 0.081 20 50 FCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)N[C@H]1CCSC1 ZINC000823049341 946293579 /nfs/dbraw/zinc/29/35/79/946293579.db2.gz COAGKCIVSRPUAW-VIFPVBQESA-N -1 3 363.403 0.081 20 50 FCGDHM O=C(NNC(=O)N1CC[C@]2(CCOC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277024 946394045 /nfs/dbraw/zinc/39/40/45/946394045.db2.gz CDYMHAFPJJZEDL-INIZCTEOSA-N -1 3 357.374 0.334 20 50 FCGDHM O=C(NNC(=O)N1CC[C@]2(CCOC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277024 946394057 /nfs/dbraw/zinc/39/40/57/946394057.db2.gz CDYMHAFPJJZEDL-INIZCTEOSA-N -1 3 357.374 0.334 20 50 FCGDHM CC[C@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCO1 ZINC000825134645 947091078 /nfs/dbraw/zinc/09/10/78/947091078.db2.gz VZBVLKQFDVJRGH-QWHCGFSZSA-N -1 3 359.390 0.768 20 50 FCGDHM CC[C@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCO1 ZINC000825134645 947091087 /nfs/dbraw/zinc/09/10/87/947091087.db2.gz VZBVLKQFDVJRGH-QWHCGFSZSA-N -1 3 359.390 0.768 20 50 FCGDHM COc1ccccc1SCC(=O)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826221085 947656816 /nfs/dbraw/zinc/65/68/16/947656816.db2.gz OOVBHHDNMDKEBG-UHFFFAOYSA-N -1 3 373.398 0.757 20 50 FCGDHM COc1ccccc1SCC(=O)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826221085 947656829 /nfs/dbraw/zinc/65/68/29/947656829.db2.gz OOVBHHDNMDKEBG-UHFFFAOYSA-N -1 3 373.398 0.757 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@@H]1CCCCS1 ZINC000826417507 948258851 /nfs/dbraw/zinc/25/88/51/948258851.db2.gz SXTALBROSLEWAD-LBPRGKRZSA-N -1 3 362.415 0.679 20 50 FCGDHM O=C([O-])CCN(CC(=O)NNC(=O)c1ccc(F)cc1)C1CCOCC1 ZINC001595055765 951496588 /nfs/dbraw/zinc/49/65/88/951496588.db2.gz GCJHXHPFXHZWCJ-UHFFFAOYSA-N -1 3 367.377 0.542 20 50 FCGDHM N#Cc1ccc(C(=O)NNC(=O)CN(CCC(=O)[O-])C2CCOCC2)cc1 ZINC001594617999 956258045 /nfs/dbraw/zinc/25/80/45/956258045.db2.gz XBVUAVDIIQEULZ-UHFFFAOYSA-N -1 3 374.397 0.275 20 50 FCGDHM CCc1sc(C(=O)NNC(=O)CN[C@]2(CC(=O)[O-])CCOC2)cc1C ZINC001597818042 989450743 /nfs/dbraw/zinc/45/07/43/989450743.db2.gz JROCUKDQNATJAU-INIZCTEOSA-N -1 3 369.443 0.603 20 50 FCGDHM NC(=O)c1ccc(OCCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826393072 607334421 /nfs/dbraw/zinc/33/44/21/607334421.db2.gz AKWVJFFEZHNOKZ-UHFFFAOYSA-N -1 3 367.369 0.878 20 50 FCGDHM NC(=O)c1ccc(OCCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826393072 607334423 /nfs/dbraw/zinc/33/44/23/607334423.db2.gz AKWVJFFEZHNOKZ-UHFFFAOYSA-N -1 3 367.369 0.878 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000826447565 607335995 /nfs/dbraw/zinc/33/59/95/607335995.db2.gz LNDPLNKGRABKNY-VIFPVBQESA-N -1 3 369.307 0.721 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000826447565 607335996 /nfs/dbraw/zinc/33/59/96/607335996.db2.gz LNDPLNKGRABKNY-VIFPVBQESA-N -1 3 369.307 0.721 20 50 FCGDHM CS(=O)(=O)CC1(CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826222138 607344133 /nfs/dbraw/zinc/34/41/33/607344133.db2.gz KSDMXRLWXHZYKV-UHFFFAOYSA-N -1 3 350.404 0.525 20 50 FCGDHM O=C(CNC(=O)Cc1cccc(F)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826423523 607345894 /nfs/dbraw/zinc/34/58/94/607345894.db2.gz SZQZSFLJVRVKNW-UHFFFAOYSA-N -1 3 369.360 0.808 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000826482299 607352413 /nfs/dbraw/zinc/35/24/13/607352413.db2.gz ZHWOEOOZHASZLS-UHFFFAOYSA-N -1 3 351.326 0.955 20 50 FCGDHM CS(=O)(=O)c1ccc(NNC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826223950 607357807 /nfs/dbraw/zinc/35/78/07/607357807.db2.gz IIYNZBMEXPNALL-UHFFFAOYSA-N -1 3 372.410 0.956 20 50 FCGDHM CS(=O)(=O)c1ccc(NNC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826223950 607357808 /nfs/dbraw/zinc/35/78/08/607357808.db2.gz IIYNZBMEXPNALL-UHFFFAOYSA-N -1 3 372.410 0.956 20 50 FCGDHM O=C(NNC(=O)[C@H]1CCn2ccnc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444596 607462564 /nfs/dbraw/zinc/46/25/64/607462564.db2.gz MUUBICOTURNUMI-LBPRGKRZSA-N -1 3 352.358 0.087 20 50 FCGDHM O=C(NNC(=O)[C@H]1CCn2ccnc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444596 607462566 /nfs/dbraw/zinc/46/25/66/607462566.db2.gz MUUBICOTURNUMI-LBPRGKRZSA-N -1 3 352.358 0.087 20 50 FCGDHM O=C(CNC(=O)c1cccc(F)c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826412445 607463845 /nfs/dbraw/zinc/46/38/45/607463845.db2.gz OGWRTCXDALVVRH-UHFFFAOYSA-N -1 3 355.333 0.879 20 50 FCGDHM O=C(CNC(=O)c1cccc(F)c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826412445 607463846 /nfs/dbraw/zinc/46/38/46/607463846.db2.gz OGWRTCXDALVVRH-UHFFFAOYSA-N -1 3 355.333 0.879 20 50 FCGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)COc1ccccc1O ZINC000826249631 607686368 /nfs/dbraw/zinc/68/63/68/607686368.db2.gz LZLLFSLKJFVLDN-UHFFFAOYSA-N -1 3 368.353 0.721 20 50 FCGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)COc1ccccc1O ZINC000826249631 607686370 /nfs/dbraw/zinc/68/63/70/607686370.db2.gz LZLLFSLKJFVLDN-UHFFFAOYSA-N -1 3 368.353 0.721 20 50 FCGDHM O=C(Cc1ccc(-n2cnnn2)cc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826422295 607712214 /nfs/dbraw/zinc/71/22/14/607712214.db2.gz TZUWNYSPPOFISB-UHFFFAOYSA-N -1 3 362.357 0.528 20 50 FCGDHM O=C(Cc1ccc(-n2cnnn2)cc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826422295 607712216 /nfs/dbraw/zinc/71/22/16/607712216.db2.gz TZUWNYSPPOFISB-UHFFFAOYSA-N -1 3 362.357 0.528 20 50 FCGDHM CS(=O)(=O)CC1(CC(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826221997 607718718 /nfs/dbraw/zinc/71/87/18/607718718.db2.gz DFOJBVDCCVBYRO-UHFFFAOYSA-N -1 3 350.404 0.525 20 50 FCGDHM CS(=O)(=O)CC1(CC(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826221997 607718720 /nfs/dbraw/zinc/71/87/20/607718720.db2.gz DFOJBVDCCVBYRO-UHFFFAOYSA-N -1 3 350.404 0.525 20 50 FCGDHM CN1C(=O)c2ccc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)cc2C1=O ZINC000826016228 607722240 /nfs/dbraw/zinc/72/22/40/607722240.db2.gz BJZHZKHHGURICG-UHFFFAOYSA-N -1 3 363.337 0.849 20 50 FCGDHM CN1C(=O)c2ccc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cc2C1=O ZINC000826016228 607722241 /nfs/dbraw/zinc/72/22/41/607722241.db2.gz BJZHZKHHGURICG-UHFFFAOYSA-N -1 3 363.337 0.849 20 50 FCGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1CNC(=O)C1 ZINC000823519547 606129922 /nfs/dbraw/zinc/12/99/22/606129922.db2.gz HUWPPKJRNUBBGE-ZCFIWIBFSA-N -1 3 355.280 0.465 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1CNC(=O)C1 ZINC000823519547 606129924 /nfs/dbraw/zinc/12/99/24/606129924.db2.gz HUWPPKJRNUBBGE-ZCFIWIBFSA-N -1 3 355.280 0.465 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000823277867 606776083 /nfs/dbraw/zinc/77/60/83/606776083.db2.gz ZXFXEDWVWSUBNG-BFHYXJOUSA-N -1 3 371.401 0.768 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000823277867 606776085 /nfs/dbraw/zinc/77/60/85/606776085.db2.gz ZXFXEDWVWSUBNG-BFHYXJOUSA-N -1 3 371.401 0.768 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cn[nH]c1 ZINC000824499858 607959272 /nfs/dbraw/zinc/95/92/72/607959272.db2.gz RRBHPFNHHCQNTH-SECBINFHSA-N -1 3 371.361 0.060 20 50 FCGDHM CCCCS(=O)(=O)NCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825296450 608074499 /nfs/dbraw/zinc/07/44/99/608074499.db2.gz JNBVJNNOVLDOMN-UHFFFAOYSA-N -1 3 353.408 0.029 20 50 FCGDHM O=C(NNc1ccccn1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1Cl ZINC000826449456 608141363 /nfs/dbraw/zinc/14/13/63/608141363.db2.gz UGZLIZVNMDXRGD-UHFFFAOYSA-N -1 3 358.749 0.997 20 50 FCGDHM O=C(NNc1ccccn1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1Cl ZINC000826449456 608141364 /nfs/dbraw/zinc/14/13/64/608141364.db2.gz UGZLIZVNMDXRGD-UHFFFAOYSA-N -1 3 358.749 0.997 20 50 FCGDHM COc1cccc(NNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2F)n1 ZINC000826217064 608141976 /nfs/dbraw/zinc/14/19/76/608141976.db2.gz XQSGEVHROXNBNK-UHFFFAOYSA-N -1 3 372.320 0.491 20 50 FCGDHM COc1cccc(NNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2F)n1 ZINC000826217064 608141977 /nfs/dbraw/zinc/14/19/77/608141977.db2.gz XQSGEVHROXNBNK-UHFFFAOYSA-N -1 3 372.320 0.491 20 50 FCGDHM C[C@@H]1C[C@H](CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824884350 608163145 /nfs/dbraw/zinc/16/31/45/608163145.db2.gz NQKBBLZEZSHSFD-GHMZBOCLSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@@H]1C[C@H](CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824884350 608163148 /nfs/dbraw/zinc/16/31/48/608163148.db2.gz NQKBBLZEZSHSFD-GHMZBOCLSA-N -1 3 359.390 0.626 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cnc2c(c1)NC(=O)CO2 ZINC000826481767 608165797 /nfs/dbraw/zinc/16/57/97/608165797.db2.gz IGEHWAAEGBAOGY-UHFFFAOYSA-N -1 3 352.314 0.350 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cnc2c(c1)NC(=O)CO2 ZINC000826481767 608165798 /nfs/dbraw/zinc/16/57/98/608165798.db2.gz IGEHWAAEGBAOGY-UHFFFAOYSA-N -1 3 352.314 0.350 20 50 FCGDHM COc1cccc([C@@H](O)C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826215592 608196938 /nfs/dbraw/zinc/19/69/38/608196938.db2.gz UFLLOYUTKGYZNM-CQSZACIVSA-N -1 3 368.353 0.370 20 50 FCGDHM COc1cccc([C@@H](O)C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826215592 608196940 /nfs/dbraw/zinc/19/69/40/608196940.db2.gz UFLLOYUTKGYZNM-CQSZACIVSA-N -1 3 368.353 0.370 20 50 FCGDHM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)O1 ZINC000825838784 608536986 /nfs/dbraw/zinc/53/69/86/608536986.db2.gz CDDPZBQMHDZZNY-QWHCGFSZSA-N -1 3 374.405 0.129 20 50 FCGDHM CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)O1 ZINC000825838784 608536987 /nfs/dbraw/zinc/53/69/87/608536987.db2.gz CDDPZBQMHDZZNY-QWHCGFSZSA-N -1 3 374.405 0.129 20 50 FCGDHM CSCCNC(=S)NNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000826229049 608764606 /nfs/dbraw/zinc/76/46/06/608764606.db2.gz NBLBBEPXTCDPQU-UHFFFAOYSA-N -1 3 365.488 0.658 20 50 FCGDHM CSCCNC(=S)NNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000826229049 608764607 /nfs/dbraw/zinc/76/46/07/608764607.db2.gz NBLBBEPXTCDPQU-UHFFFAOYSA-N -1 3 365.488 0.658 20 50 FCGDHM CSCCNC(=S)NNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826229294 608765169 /nfs/dbraw/zinc/76/51/69/608765169.db2.gz YUXQFIZLTPJCEP-UHFFFAOYSA-N -1 3 351.461 0.647 20 50 FCGDHM CSCCNC(=S)NNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826229294 608765170 /nfs/dbraw/zinc/76/51/70/608765170.db2.gz YUXQFIZLTPJCEP-UHFFFAOYSA-N -1 3 351.461 0.647 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCc2ccon2)cc(-c2nnn[n-]2)n1C ZINC000826235386 608821108 /nfs/dbraw/zinc/82/11/08/608821108.db2.gz IYCCHXPXLRDCJE-KPKJPENVSA-N -1 3 352.358 0.768 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCc2ccon2)cc(-c2nn[n-]n2)n1C ZINC000826235386 608821112 /nfs/dbraw/zinc/82/11/12/608821112.db2.gz IYCCHXPXLRDCJE-KPKJPENVSA-N -1 3 352.358 0.768 20 50 FCGDHM CCNC(=O)N(C)NC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000825470364 609165971 /nfs/dbraw/zinc/16/59/71/609165971.db2.gz CBORGYFYJAGJHP-CYBMUJFWSA-N -1 3 358.406 0.528 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1cccc(O)c1 ZINC000826417310 609183425 /nfs/dbraw/zinc/18/34/25/609183425.db2.gz MGYWSDFDAJODQR-UHFFFAOYSA-N -1 3 368.353 0.341 20 50 FCGDHM C[C@](O)(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824669749 609215853 /nfs/dbraw/zinc/21/58/53/609215853.db2.gz HVKAHMIJSBQILH-SFHVURJKSA-N -1 3 366.381 0.926 20 50 FCGDHM C[C@](O)(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824669749 609215854 /nfs/dbraw/zinc/21/58/54/609215854.db2.gz HVKAHMIJSBQILH-SFHVURJKSA-N -1 3 366.381 0.926 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H]([C@H](C)O)C2)cc(-c2nnn[n-]2)n1C ZINC000826236070 609264310 /nfs/dbraw/zinc/26/43/10/609264310.db2.gz XWOOYIZUJFYIHL-HRGNQNKFSA-N -1 3 355.402 0.650 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H]([C@H](C)O)C2)cc(-c2nn[n-]n2)n1C ZINC000826236070 609264311 /nfs/dbraw/zinc/26/43/11/609264311.db2.gz XWOOYIZUJFYIHL-HRGNQNKFSA-N -1 3 355.402 0.650 20 50 FCGDHM CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948823 609277156 /nfs/dbraw/zinc/27/71/56/609277156.db2.gz ZSZOUYIJUZTFLM-UHFFFAOYSA-N -1 3 368.332 0.880 20 50 FCGDHM CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948823 609277157 /nfs/dbraw/zinc/27/71/57/609277157.db2.gz ZSZOUYIJUZTFLM-UHFFFAOYSA-N -1 3 368.332 0.880 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)c2ncon2)cc(-c2nnn[n-]2)n1C ZINC000826235402 609395719 /nfs/dbraw/zinc/39/57/19/609395719.db2.gz JIZPUFUODONXLQ-ORMNHXAVSA-N -1 3 353.346 0.681 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)c2ncon2)cc(-c2nn[n-]n2)n1C ZINC000826235402 609395720 /nfs/dbraw/zinc/39/57/20/609395720.db2.gz JIZPUFUODONXLQ-ORMNHXAVSA-N -1 3 353.346 0.681 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H](CO)c1ccccc1 ZINC000826445364 609446492 /nfs/dbraw/zinc/44/64/92/609446492.db2.gz QXAJXAHCWVAYPG-AWEZNQCLSA-N -1 3 367.369 0.544 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H](CO)c1ccccc1 ZINC000826445364 609446494 /nfs/dbraw/zinc/44/64/94/609446494.db2.gz QXAJXAHCWVAYPG-AWEZNQCLSA-N -1 3 367.369 0.544 20 50 FCGDHM COc1cccc(NNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826216964 609598274 /nfs/dbraw/zinc/59/82/74/609598274.db2.gz TYRVNKPOQZLBNA-UHFFFAOYSA-N -1 3 369.345 0.241 20 50 FCGDHM COc1cccc(NNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826216964 609598277 /nfs/dbraw/zinc/59/82/77/609598277.db2.gz TYRVNKPOQZLBNA-UHFFFAOYSA-N -1 3 369.345 0.241 20 50 FCGDHM CC/C(C)=C(/C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825050358 609639128 /nfs/dbraw/zinc/63/91/28/609639128.db2.gz IHIFZZRQAGLYAS-KHPPLWFESA-N -1 3 372.385 0.917 20 50 FCGDHM CC/C(C)=C(/C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825050358 609639130 /nfs/dbraw/zinc/63/91/30/609639130.db2.gz IHIFZZRQAGLYAS-KHPPLWFESA-N -1 3 372.385 0.917 20 50 FCGDHM Cc1cnn(CCNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737449319 945071498 /nfs/dbraw/zinc/07/14/98/945071498.db2.gz VQSTXPGBRCHXQY-UHFFFAOYSA-N -1 3 355.362 0.016 20 50 FCGDHM Cc1cnn(CCNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737449319 945071507 /nfs/dbraw/zinc/07/15/07/945071507.db2.gz VQSTXPGBRCHXQY-UHFFFAOYSA-N -1 3 355.362 0.016 20 50 FCGDHM Cc1nn(C)cc1[C@H](C)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737513319 945086299 /nfs/dbraw/zinc/08/62/99/945086299.db2.gz KKESGHLBWQHLED-VIFPVBQESA-N -1 3 369.389 0.614 20 50 FCGDHM Cc1nn(C)cc1[C@H](C)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737513319 945086306 /nfs/dbraw/zinc/08/63/06/945086306.db2.gz KKESGHLBWQHLED-VIFPVBQESA-N -1 3 369.389 0.614 20 50 FCGDHM Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737509229 945086704 /nfs/dbraw/zinc/08/67/04/945086704.db2.gz MTFPFSHKDSNZAB-VIFPVBQESA-N -1 3 368.401 0.782 20 50 FCGDHM Cc1nn(C)c(C)c1[C@H](C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737509229 945086713 /nfs/dbraw/zinc/08/67/13/945086713.db2.gz MTFPFSHKDSNZAB-VIFPVBQESA-N -1 3 368.401 0.782 20 50 FCGDHM Cc1noc(C)c1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737538582 945091512 /nfs/dbraw/zinc/09/15/12/945091512.db2.gz WGKQBOMWXJIOMF-UHFFFAOYSA-N -1 3 356.346 0.616 20 50 FCGDHM Cc1noc(C)c1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737538582 945091521 /nfs/dbraw/zinc/09/15/21/945091521.db2.gz WGKQBOMWXJIOMF-UHFFFAOYSA-N -1 3 356.346 0.616 20 50 FCGDHM NC(=O)[C@H](NNC(=O)c1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736307 945118597 /nfs/dbraw/zinc/11/85/97/945118597.db2.gz HOCHBUDZOSDSAP-CYBMUJFWSA-N -1 3 355.333 0.467 20 50 FCGDHM NC(=O)[C@H](NNC(=O)c1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736307 945118599 /nfs/dbraw/zinc/11/85/99/945118599.db2.gz HOCHBUDZOSDSAP-CYBMUJFWSA-N -1 3 355.333 0.467 20 50 FCGDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1ccsc1 ZINC000737895302 945148856 /nfs/dbraw/zinc/14/88/56/945148856.db2.gz OMUKPIGEOVILSU-UHFFFAOYSA-N -1 3 357.399 0.730 20 50 FCGDHM O=C(CSc1ccccn1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737946256 945164895 /nfs/dbraw/zinc/16/48/95/945164895.db2.gz CZLNNZHOWTUPDE-UHFFFAOYSA-N -1 3 355.383 0.815 20 50 FCGDHM O=C(CSc1ccccn1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737946256 945164897 /nfs/dbraw/zinc/16/48/97/945164897.db2.gz CZLNNZHOWTUPDE-UHFFFAOYSA-N -1 3 355.383 0.815 20 50 FCGDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NNC(=O)Cc1cccnc1 ZINC000737940700 945162730 /nfs/dbraw/zinc/16/27/30/945162730.db2.gz HWHQLRXUXGSYSO-UHFFFAOYSA-N -1 3 369.410 0.744 20 50 FCGDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1cccnc1 ZINC000737940700 945162736 /nfs/dbraw/zinc/16/27/36/945162736.db2.gz HWHQLRXUXGSYSO-UHFFFAOYSA-N -1 3 369.410 0.744 20 50 FCGDHM O=C(NNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)NC1CC1 ZINC000738129514 945202922 /nfs/dbraw/zinc/20/29/22/945202922.db2.gz DIHUXYXWFKVGDU-CYBMUJFWSA-N -1 3 356.390 0.328 20 50 FCGDHM O=C(NNC(=O)C1CCC1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000738129757 945205177 /nfs/dbraw/zinc/20/51/77/945205177.db2.gz IHXXXWXBICIBER-UHFFFAOYSA-N -1 3 363.765 0.406 20 50 FCGDHM O=C(NNC(=O)C1CCC1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000738129757 945205185 /nfs/dbraw/zinc/20/51/85/945205185.db2.gz IHXXXWXBICIBER-UHFFFAOYSA-N -1 3 363.765 0.406 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)COC2 ZINC000738135829 945227028 /nfs/dbraw/zinc/22/70/28/945227028.db2.gz CBPWGVXGXQMKSY-UHFFFAOYSA-N -1 3 350.338 0.972 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)COC2 ZINC000738135829 945227031 /nfs/dbraw/zinc/22/70/31/945227031.db2.gz CBPWGVXGXQMKSY-UHFFFAOYSA-N -1 3 350.338 0.972 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H]1COc2ccccc21 ZINC000738136929 945240617 /nfs/dbraw/zinc/24/06/17/945240617.db2.gz QCYDQNBBXLZIQB-CYBMUJFWSA-N -1 3 365.353 0.944 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1COc2ccccc21 ZINC000738136929 945240620 /nfs/dbraw/zinc/24/06/20/945240620.db2.gz QCYDQNBBXLZIQB-CYBMUJFWSA-N -1 3 365.353 0.944 20 50 FCGDHM O=C(NNc1cccnn1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738137818 945247914 /nfs/dbraw/zinc/24/79/14/945247914.db2.gz RZTXXRCORIGEHU-ZDUSSCGKSA-N -1 3 351.374 0.769 20 50 FCGDHM CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000819772939 945287466 /nfs/dbraw/zinc/28/74/66/945287466.db2.gz NHWSFPHKBODPPI-UHFFFAOYSA-N -1 3 364.369 0.532 20 50 FCGDHM CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000819772939 945287473 /nfs/dbraw/zinc/28/74/73/945287473.db2.gz NHWSFPHKBODPPI-UHFFFAOYSA-N -1 3 364.369 0.532 20 50 FCGDHM C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000819883317 945306435 /nfs/dbraw/zinc/30/64/35/945306435.db2.gz HDKXHXQIZPRMON-SNVBAGLBSA-N -1 3 374.401 0.853 20 50 FCGDHM C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000819883317 945306441 /nfs/dbraw/zinc/30/64/41/945306441.db2.gz HDKXHXQIZPRMON-SNVBAGLBSA-N -1 3 374.401 0.853 20 50 FCGDHM CC(C)=C(C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820005152 945326825 /nfs/dbraw/zinc/32/68/25/945326825.db2.gz KSUDTRMQQFGVFO-UHFFFAOYSA-N -1 3 358.358 0.527 20 50 FCGDHM CC(C)=C(C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820005152 945326835 /nfs/dbraw/zinc/32/68/35/945326835.db2.gz KSUDTRMQQFGVFO-UHFFFAOYSA-N -1 3 358.358 0.527 20 50 FCGDHM CC(C)CO[C@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000820097673 945353707 /nfs/dbraw/zinc/35/37/07/945353707.db2.gz RDNVEFMILTUGNI-AWEZNQCLSA-N -1 3 373.417 0.968 20 50 FCGDHM CC(C)CO[C@H]1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000820097673 945353719 /nfs/dbraw/zinc/35/37/19/945353719.db2.gz RDNVEFMILTUGNI-AWEZNQCLSA-N -1 3 373.417 0.968 20 50 FCGDHM CC(C)NC(=O)CCCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735884972 944708247 /nfs/dbraw/zinc/70/82/47/944708247.db2.gz SFZCADIHNOORRW-UHFFFAOYSA-N -1 3 359.390 0.323 20 50 FCGDHM CC(C)NC(=O)CCCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735884972 944708251 /nfs/dbraw/zinc/70/82/51/944708251.db2.gz SFZCADIHNOORRW-UHFFFAOYSA-N -1 3 359.390 0.323 20 50 FCGDHM CC(C)OCCCN(C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735895881 944710923 /nfs/dbraw/zinc/71/09/23/944710923.db2.gz IUWRPAFROXXVNN-UHFFFAOYSA-N -1 3 361.406 0.968 20 50 FCGDHM CC(C)OCCCN(C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735895881 944710933 /nfs/dbraw/zinc/71/09/33/944710933.db2.gz IUWRPAFROXXVNN-UHFFFAOYSA-N -1 3 361.406 0.968 20 50 FCGDHM C[C@@H](CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)n1cccc1 ZINC000735975304 944728430 /nfs/dbraw/zinc/72/84/30/944728430.db2.gz KTUBBMMMXVXWHA-LBPRGKRZSA-N -1 3 369.385 0.846 20 50 FCGDHM C[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736099672 944739458 /nfs/dbraw/zinc/73/94/58/944739458.db2.gz HPJSOFGFACZLAJ-SNVBAGLBSA-N -1 3 371.401 0.323 20 50 FCGDHM C[C@@H](NC(=O)C1CCCC1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736099672 944739465 /nfs/dbraw/zinc/73/94/65/944739465.db2.gz HPJSOFGFACZLAJ-SNVBAGLBSA-N -1 3 371.401 0.323 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccn1 ZINC000736119966 944745322 /nfs/dbraw/zinc/74/53/22/944745322.db2.gz XHGKQNWMKBJMMJ-SNVBAGLBSA-N -1 3 352.358 0.967 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC000736119966 944745331 /nfs/dbraw/zinc/74/53/31/944745331.db2.gz XHGKQNWMKBJMMJ-SNVBAGLBSA-N -1 3 352.358 0.967 20 50 FCGDHM C[C@H](NC(=S)NNC(=O)COc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000736128348 944746996 /nfs/dbraw/zinc/74/69/96/944746996.db2.gz WLFNWZKCDVUZTN-VIFPVBQESA-N -1 3 361.431 0.539 20 50 FCGDHM C[C@H](NC(=S)NNC(=O)COc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000736128348 944747004 /nfs/dbraw/zinc/74/70/04/944747004.db2.gz WLFNWZKCDVUZTN-VIFPVBQESA-N -1 3 361.431 0.539 20 50 FCGDHM CC1(C)C[C@@H]1CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736211247 944763732 /nfs/dbraw/zinc/76/37/32/944763732.db2.gz MXRBARRYNWLTNW-SNVBAGLBSA-N -1 3 359.390 0.622 20 50 FCGDHM CC1(C)C[C@@H]1CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736211247 944763734 /nfs/dbraw/zinc/76/37/34/944763734.db2.gz MXRBARRYNWLTNW-SNVBAGLBSA-N -1 3 359.390 0.622 20 50 FCGDHM C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736263819 944782813 /nfs/dbraw/zinc/78/28/13/944782813.db2.gz SRVKYTPJNAKXGI-ZYHUDNBSSA-N -1 3 359.390 0.765 20 50 FCGDHM C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736263819 944782817 /nfs/dbraw/zinc/78/28/17/944782817.db2.gz SRVKYTPJNAKXGI-ZYHUDNBSSA-N -1 3 359.390 0.765 20 50 FCGDHM CC[C@H]1CN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H](C)O1 ZINC000736406750 944815907 /nfs/dbraw/zinc/81/59/07/944815907.db2.gz BNLLJIPPARSMSS-GWCFXTLKSA-N -1 3 359.390 0.720 20 50 FCGDHM CC[C@H]1CN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC000736406750 944815913 /nfs/dbraw/zinc/81/59/13/944815913.db2.gz BNLLJIPPARSMSS-GWCFXTLKSA-N -1 3 359.390 0.720 20 50 FCGDHM CCOC(=O)CCN(C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736592035 944850958 /nfs/dbraw/zinc/85/09/58/944850958.db2.gz KGBUKKNKWHJTJZ-JYRVWZFOSA-N -1 3 371.401 0.832 20 50 FCGDHM CCOC(=O)CCN(C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736592035 944850963 /nfs/dbraw/zinc/85/09/63/944850963.db2.gz KGBUKKNKWHJTJZ-JYRVWZFOSA-N -1 3 371.401 0.832 20 50 FCGDHM CC[S@@](=O)CCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736665913 944865343 /nfs/dbraw/zinc/86/53/43/944865343.db2.gz WETUHHJMEFZMEP-GRLJGPAPSA-N -1 3 361.431 0.305 20 50 FCGDHM CC[S@@](=O)CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736665913 944865353 /nfs/dbraw/zinc/86/53/53/944865353.db2.gz WETUHHJMEFZMEP-GRLJGPAPSA-N -1 3 361.431 0.305 20 50 FCGDHM CC[S@@](=O)CCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736665914 944866690 /nfs/dbraw/zinc/86/66/90/944866690.db2.gz WETUHHJMEFZMEP-VISBSAOHSA-N -1 3 361.431 0.305 20 50 FCGDHM CC[S@@](=O)CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736665914 944866697 /nfs/dbraw/zinc/86/66/97/944866697.db2.gz WETUHHJMEFZMEP-VISBSAOHSA-N -1 3 361.431 0.305 20 50 FCGDHM CNC(=O)c1cccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000736882482 944906348 /nfs/dbraw/zinc/90/63/48/944906348.db2.gz PSJDOBUYLHQKRV-UHFFFAOYSA-N -1 3 365.353 0.301 20 50 FCGDHM CNC(=O)c1cccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000736882482 944906351 /nfs/dbraw/zinc/90/63/51/944906351.db2.gz PSJDOBUYLHQKRV-UHFFFAOYSA-N -1 3 365.353 0.301 20 50 FCGDHM CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737163422 944974219 /nfs/dbraw/zinc/97/42/19/944974219.db2.gz XALFZULRYARNAF-ZDUSSCGKSA-N -1 3 362.415 0.940 20 50 FCGDHM CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737163422 944974223 /nfs/dbraw/zinc/97/42/23/944974223.db2.gz XALFZULRYARNAF-ZDUSSCGKSA-N -1 3 362.415 0.940 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@]2(C)CCOC2)cc(-c2nnn[n-]2)n1C ZINC000737211808 944988866 /nfs/dbraw/zinc/98/88/66/944988866.db2.gz GALSFRAOMWXFGG-JIOITTSWSA-N -1 3 355.402 0.963 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@]2(C)CCOC2)cc(-c2nn[n-]n2)n1C ZINC000737211808 944988873 /nfs/dbraw/zinc/98/88/73/944988873.db2.gz GALSFRAOMWXFGG-JIOITTSWSA-N -1 3 355.402 0.963 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCNC(=O)C[C@@H]2C)cc(-c2nnn[n-]2)n1C ZINC000737212660 944994346 /nfs/dbraw/zinc/99/43/46/944994346.db2.gz LWVGWGIEPSGHJF-JLATVTFTSA-N -1 3 368.401 0.158 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCNC(=O)C[C@@H]2C)cc(-c2nn[n-]n2)n1C ZINC000737212660 944994355 /nfs/dbraw/zinc/99/43/55/944994355.db2.gz LWVGWGIEPSGHJF-JLATVTFTSA-N -1 3 368.401 0.158 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCn3cnnc3C2)cc(-c2nnn[n-]2)n1C ZINC000737212653 944994877 /nfs/dbraw/zinc/99/48/77/944994877.db2.gz LURUTCNFZUMCLY-LFYBBSHMSA-N -1 3 364.373 0.055 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCn3cnnc3C2)cc(-c2nn[n-]n2)n1C ZINC000737212653 944994882 /nfs/dbraw/zinc/99/48/82/944994882.db2.gz LURUTCNFZUMCLY-LFYBBSHMSA-N -1 3 364.373 0.055 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC(=O)OC(C)C)cc(-c2nnn[n-]2)n1C ZINC000737213465 945003309 /nfs/dbraw/zinc/00/33/09/945003309.db2.gz TXTHGCPRGMLLBA-XGICHPGQSA-N -1 3 357.374 0.488 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC(=O)OC(C)C)cc(-c2nn[n-]n2)n1C ZINC000737213465 945003320 /nfs/dbraw/zinc/00/33/20/945003320.db2.gz TXTHGCPRGMLLBA-XGICHPGQSA-N -1 3 357.374 0.488 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CC(n3ccnc3)C2)cc(-c2nn[n-]n2)n1C ZINC000737213632 945005672 /nfs/dbraw/zinc/00/56/72/945005672.db2.gz VIINYDDFJSQLMR-ACAGNQJTSA-N -1 3 363.385 0.701 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CC(n3cncn3)C2)cc(-c2nn[n-]n2)n1C ZINC000737213689 945005721 /nfs/dbraw/zinc/00/57/21/945005721.db2.gz VWGYSFJZDOJPMY-KGVSQERTSA-N -1 3 364.373 0.096 20 50 FCGDHM Cc1ccc(CCNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000737336426 945042883 /nfs/dbraw/zinc/04/28/83/945042883.db2.gz COTZDHSTPFOJDE-UHFFFAOYSA-N -1 3 366.385 0.757 20 50 FCGDHM Cc1ccc(CCNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737336426 945042893 /nfs/dbraw/zinc/04/28/93/945042893.db2.gz COTZDHSTPFOJDE-UHFFFAOYSA-N -1 3 366.385 0.757 20 50 FCGDHM C[C@@H](O)CC(C)(C)CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820473942 945459270 /nfs/dbraw/zinc/45/92/70/945459270.db2.gz OKFAQEAOHWGPQV-SNVBAGLBSA-N -1 3 361.406 0.608 20 50 FCGDHM C[C@@H](O)CC(C)(C)CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820473942 945459275 /nfs/dbraw/zinc/45/92/75/945459275.db2.gz OKFAQEAOHWGPQV-SNVBAGLBSA-N -1 3 361.406 0.608 20 50 FCGDHM C[C@H](O)CC(C)(C)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820473695 945460411 /nfs/dbraw/zinc/46/04/11/945460411.db2.gz JVBXZEZJWZYDJM-JTQLQIEISA-N -1 3 361.406 0.608 20 50 FCGDHM C[C@H](O)CC(C)(C)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820473695 945460417 /nfs/dbraw/zinc/46/04/17/945460417.db2.gz JVBXZEZJWZYDJM-JTQLQIEISA-N -1 3 361.406 0.608 20 50 FCGDHM CC1(CNC(=O)NNC(=O)COc2ccccc2-c2nnn[n-]2)CCC1 ZINC000820618714 945498821 /nfs/dbraw/zinc/49/88/21/945498821.db2.gz MSKNUVHUGFLKEG-UHFFFAOYSA-N -1 3 359.390 0.766 20 50 FCGDHM CC1(CNC(=O)NNC(=O)COc2ccccc2-c2nn[n-]n2)CCC1 ZINC000820618714 945498822 /nfs/dbraw/zinc/49/88/22/945498822.db2.gz MSKNUVHUGFLKEG-UHFFFAOYSA-N -1 3 359.390 0.766 20 50 FCGDHM CC1(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCOCC1 ZINC000820618581 945499224 /nfs/dbraw/zinc/49/92/24/945499224.db2.gz IYBGBTZCEZMTBN-UHFFFAOYSA-N -1 3 359.390 0.627 20 50 FCGDHM CC1(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000820618581 945499229 /nfs/dbraw/zinc/49/92/29/945499229.db2.gz IYBGBTZCEZMTBN-UHFFFAOYSA-N -1 3 359.390 0.627 20 50 FCGDHM CC/C=C(\C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821001922 945608368 /nfs/dbraw/zinc/60/83/68/945608368.db2.gz TVVNZYAPCSYZMJ-ONNFQVAWSA-N -1 3 358.358 0.527 20 50 FCGDHM CC/C=C(\C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821001922 945608377 /nfs/dbraw/zinc/60/83/77/945608377.db2.gz TVVNZYAPCSYZMJ-ONNFQVAWSA-N -1 3 358.358 0.527 20 50 FCGDHM CCC[C@H]1C[C@@H]1NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000821034184 945618385 /nfs/dbraw/zinc/61/83/85/945618385.db2.gz IMSJJKWUDLUARX-JQWIXIFHSA-N -1 3 359.390 0.765 20 50 FCGDHM CCC[C@H]1C[C@@H]1NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000821034184 945618388 /nfs/dbraw/zinc/61/83/88/945618388.db2.gz IMSJJKWUDLUARX-JQWIXIFHSA-N -1 3 359.390 0.765 20 50 FCGDHM COCC[C@@](C)(O)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821685870 945809673 /nfs/dbraw/zinc/80/96/73/945809673.db2.gz SZCNUFNCNDGDHA-KYTCBBFDSA-N -1 3 373.417 0.324 20 50 FCGDHM COCC[C@@](C)(O)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821685870 945809691 /nfs/dbraw/zinc/80/96/91/945809691.db2.gz SZCNUFNCNDGDHA-KYTCBBFDSA-N -1 3 373.417 0.324 20 50 FCGDHM COCCO[C@H](C)C(=O)NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000821692339 945821968 /nfs/dbraw/zinc/82/19/68/945821968.db2.gz VJLTUIFRCOJMHU-SNVBAGLBSA-N -1 3 357.374 0.850 20 50 FCGDHM COCCO[C@H](C)C(=O)NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000821692339 945821983 /nfs/dbraw/zinc/82/19/83/945821983.db2.gz VJLTUIFRCOJMHU-SNVBAGLBSA-N -1 3 357.374 0.850 20 50 FCGDHM COc1ccc(C=NNC(=O)C(=O)Nc2ccccn2)cc1-c1nnn[n-]1 ZINC000821786596 945866232 /nfs/dbraw/zinc/86/62/32/945866232.db2.gz GEUDRJMPLUEXNJ-UHFFFAOYSA-N -1 3 366.341 0.359 20 50 FCGDHM COc1ccc(C=NNC(=O)C(=O)Nc2ccccn2)cc1-c1nn[n-]n1 ZINC000821786596 945866243 /nfs/dbraw/zinc/86/62/43/945866243.db2.gz GEUDRJMPLUEXNJ-UHFFFAOYSA-N -1 3 366.341 0.359 20 50 FCGDHM COc1cc[n-]c(=NNC(=O)NCc2cc(-c3nn[nH]n3)ccc2F)n1 ZINC000821904386 945903595 /nfs/dbraw/zinc/90/35/95/945903595.db2.gz UMCMDHNHFDGFLR-UHFFFAOYSA-N -1 3 359.325 0.631 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000822020698 945923275 /nfs/dbraw/zinc/92/32/75/945923275.db2.gz HDNDFVDLTVLQRY-KXQKXUNCSA-N -1 3 355.402 0.916 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000822020698 945923287 /nfs/dbraw/zinc/92/32/87/945923287.db2.gz HDNDFVDLTVLQRY-KXQKXUNCSA-N -1 3 355.402 0.916 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCc2nncn2C)cc(-c2nnn[n-]2)n1C ZINC000822027110 945927587 /nfs/dbraw/zinc/92/75/87/945927587.db2.gz CZSVLGFQUSZFAX-NYYWCZLTSA-N -1 3 353.346 0.293 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCc2nncn2C)cc(-c2nn[n-]n2)n1C ZINC000822027110 945927597 /nfs/dbraw/zinc/92/75/97/945927597.db2.gz CZSVLGFQUSZFAX-NYYWCZLTSA-N -1 3 353.346 0.293 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCC(=O)N2CCC2)cc(-c2nnn[n-]2)n1C ZINC000822026987 945928476 /nfs/dbraw/zinc/92/84/76/945928476.db2.gz CGUSGKAMMAYSCE-SDQBBNPISA-N -1 3 355.358 0.196 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCC(=O)N2CCC2)cc(-c2nn[n-]n2)n1C ZINC000822026987 945928485 /nfs/dbraw/zinc/92/84/85/945928485.db2.gz CGUSGKAMMAYSCE-SDQBBNPISA-N -1 3 355.358 0.196 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)C(=O)N(C)C)cc(-c2nnn[n-]2)n1C ZINC000822027491 945933919 /nfs/dbraw/zinc/93/39/19/945933919.db2.gz HIKMHIUEVIULHS-HAAVITCDSA-N -1 3 357.374 0.441 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)C(=O)N(C)C)cc(-c2nn[n-]n2)n1C ZINC000822027491 945933929 /nfs/dbraw/zinc/93/39/29/945933929.db2.gz HIKMHIUEVIULHS-HAAVITCDSA-N -1 3 357.374 0.441 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2ccco2)cc(-c2nnn[n-]2)n1C ZINC000822027801 945935966 /nfs/dbraw/zinc/93/59/66/945935966.db2.gz JIRCNGKTFCUKBB-ZDWRTJATSA-N -1 3 367.369 0.863 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)c2ccco2)cc(-c2nn[n-]n2)n1C ZINC000822027801 945935971 /nfs/dbraw/zinc/93/59/71/945935971.db2.gz JIRCNGKTFCUKBB-ZDWRTJATSA-N -1 3 367.369 0.863 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2C[C@H]3CC[C@@H](C2)O3)cc(-c2nnn[n-]2)n1C ZINC000822028386 945940961 /nfs/dbraw/zinc/94/09/61/945940961.db2.gz NTYWCEYXTUNXOZ-TVEFPQPASA-N -1 3 353.386 0.810 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2C[C@H]3CC[C@@H](C2)O3)cc(-c2nn[n-]n2)n1C ZINC000822028386 945940965 /nfs/dbraw/zinc/94/09/65/945940965.db2.gz NTYWCEYXTUNXOZ-TVEFPQPASA-N -1 3 353.386 0.810 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCc2ncnn2C)cc(-c2nnn[n-]2)n1C ZINC000822028528 945943535 /nfs/dbraw/zinc/94/35/35/945943535.db2.gz OYFBFRSFUBPGRL-WCIBSUBMSA-N -1 3 353.346 0.293 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCc2ncnn2C)cc(-c2nn[n-]n2)n1C ZINC000822028528 945943540 /nfs/dbraw/zinc/94/35/40/945943540.db2.gz OYFBFRSFUBPGRL-WCIBSUBMSA-N -1 3 353.346 0.293 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCC[C@@H]2CCOC2=O)cc(-c2nnn[n-]2)n1C ZINC000822028424 945943585 /nfs/dbraw/zinc/94/35/85/945943585.db2.gz NZLXKKILZPRPSM-HKMIMPICSA-N -1 3 370.369 0.917 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCC[C@@H]2CCOC2=O)cc(-c2nn[n-]n2)n1C ZINC000822028424 945943587 /nfs/dbraw/zinc/94/35/87/945943587.db2.gz NZLXKKILZPRPSM-HKMIMPICSA-N -1 3 370.369 0.917 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@](C)(O)C(C)C)cc(-c2nnn[n-]2)n1C ZINC000822029428 945954249 /nfs/dbraw/zinc/95/42/49/945954249.db2.gz YOOOTPHCHMYVQH-YBSJANCESA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@](C)(O)C(C)C)cc(-c2nn[n-]n2)n1C ZINC000822029428 945954259 /nfs/dbraw/zinc/95/42/59/945954259.db2.gz YOOOTPHCHMYVQH-YBSJANCESA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1ccc(NCC(=O)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000822254141 946033855 /nfs/dbraw/zinc/03/38/55/946033855.db2.gz BAPPGHBTRIFFCN-UHFFFAOYSA-N -1 3 354.374 0.387 20 50 FCGDHM Cc1ccc(NCC(=O)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000822254141 946033867 /nfs/dbraw/zinc/03/38/67/946033867.db2.gz BAPPGHBTRIFFCN-UHFFFAOYSA-N -1 3 354.374 0.387 20 50 FCGDHM Cc1cncc(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822400157 946079687 /nfs/dbraw/zinc/07/96/87/946079687.db2.gz YAEUILCPACKNAU-UHFFFAOYSA-N -1 3 353.342 0.410 20 50 FCGDHM Cn1cccc1CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000822694238 946161556 /nfs/dbraw/zinc/16/15/56/946161556.db2.gz ZLJBNAFYNCCRTE-UHFFFAOYSA-N -1 3 370.373 0.115 20 50 FCGDHM Cn1cccc1CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000822694238 946161563 /nfs/dbraw/zinc/16/15/63/946161563.db2.gz ZLJBNAFYNCCRTE-UHFFFAOYSA-N -1 3 370.373 0.115 20 50 FCGDHM O=C(/C=C/C1CC1)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823017710 946268403 /nfs/dbraw/zinc/26/84/03/946268403.db2.gz CCXLIYRBDQINIG-VOTSOKGWSA-N -1 3 356.342 0.137 20 50 FCGDHM O=C(/C=C/C1CC1)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823017710 946268410 /nfs/dbraw/zinc/26/84/10/946268410.db2.gz CCXLIYRBDQINIG-VOTSOKGWSA-N -1 3 356.342 0.137 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1ccc(O)cc1 ZINC000823036346 946283035 /nfs/dbraw/zinc/28/30/35/946283035.db2.gz AESSOPRQIFJPLX-UHFFFAOYSA-N -1 3 368.353 0.341 20 50 FCGDHM O=C(COc1ccc(-c2nn[nH]n2)cc1)N[N-]C(=O)c1cncc(F)c1 ZINC000823036507 946284948 /nfs/dbraw/zinc/28/49/48/946284948.db2.gz FDYPKZOUIIPBAO-UHFFFAOYSA-N -1 3 357.305 0.241 20 50 FCGDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NNC(=O)Cc1ccccc1F ZINC000823103557 946308899 /nfs/dbraw/zinc/30/88/99/946308899.db2.gz IPDNRZDZZQTIQT-UHFFFAOYSA-N -1 3 354.345 0.938 20 50 FCGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNC(=O)Cc1ccccc1F ZINC000823103557 946308911 /nfs/dbraw/zinc/30/89/11/946308911.db2.gz IPDNRZDZZQTIQT-UHFFFAOYSA-N -1 3 354.345 0.938 20 50 FCGDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NNC(=S)Nc1ccccn1 ZINC000823103885 946310497 /nfs/dbraw/zinc/31/04/97/946310497.db2.gz NOVIMRSHBCTMLA-UHFFFAOYSA-N -1 3 354.399 0.822 20 50 FCGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNC(=S)Nc1ccccn1 ZINC000823103885 946310511 /nfs/dbraw/zinc/31/05/11/946310511.db2.gz NOVIMRSHBCTMLA-UHFFFAOYSA-N -1 3 354.399 0.822 20 50 FCGDHM O=C(NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12)[C@@H]1CCS(=O)(=O)C1 ZINC000823269526 946365486 /nfs/dbraw/zinc/36/54/86/946365486.db2.gz IHOYZRITMUFDPT-SNVBAGLBSA-N -1 3 373.398 0.233 20 50 FCGDHM O=C(NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12)[C@@H]1CCS(=O)(=O)C1 ZINC000823269526 946365493 /nfs/dbraw/zinc/36/54/93/946365493.db2.gz IHOYZRITMUFDPT-SNVBAGLBSA-N -1 3 373.398 0.233 20 50 FCGDHM O=C(NNC(=O)N1CC[C@@]2(CCOC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000823277267 946400362 /nfs/dbraw/zinc/40/03/62/946400362.db2.gz IPXMNLZVZRBQHB-MRXNPFEDSA-N -1 3 357.374 0.334 20 50 FCGDHM O=C(NNC(=O)N1CC[C@@]2(CCOC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823277267 946400368 /nfs/dbraw/zinc/40/03/68/946400368.db2.gz IPXMNLZVZRBQHB-MRXNPFEDSA-N -1 3 357.374 0.334 20 50 FCGDHM C=C[C@@H]1OCC[C@H]1NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC001573351097 947608043 /nfs/dbraw/zinc/60/80/43/947608043.db2.gz KGARAXPVZORAGY-BTKKQJHQSA-N -1 3 353.386 0.880 20 50 FCGDHM C=C[C@@H]1OCC[C@H]1NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC001573351097 947608047 /nfs/dbraw/zinc/60/80/47/947608047.db2.gz KGARAXPVZORAGY-BTKKQJHQSA-N -1 3 353.386 0.880 20 50 FCGDHM CO[C@@H]1CCC[C@H]([C@@H]([NH2+]CC(=O)N[N-]C(=O)c2cccs2)C(=O)[O-])C1 ZINC001599108180 997517342 /nfs/dbraw/zinc/51/73/42/997517342.db2.gz AYSGIFZVQVFALC-MISXGVKJSA-N -1 3 369.443 0.757 20 50 FCGDHM NS(=O)(=O)Cc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826394674 607334620 /nfs/dbraw/zinc/33/46/20/607334620.db2.gz UFSWIXYPEQVBGU-UHFFFAOYSA-N -1 3 373.398 0.412 20 50 FCGDHM NS(=O)(=O)Cc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826394674 607334622 /nfs/dbraw/zinc/33/46/22/607334622.db2.gz UFSWIXYPEQVBGU-UHFFFAOYSA-N -1 3 373.398 0.412 20 50 FCGDHM O=C(CN1C(=O)c2ccccc2C1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409600 607339512 /nfs/dbraw/zinc/33/95/12/607339512.db2.gz HDRXFBXUIUDEAM-UHFFFAOYSA-N -1 3 363.337 0.606 20 50 FCGDHM NC(=O)NCc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826393003 607350598 /nfs/dbraw/zinc/35/05/98/607350598.db2.gz XTKRGGOBHPAJKV-UHFFFAOYSA-N -1 3 352.358 0.792 20 50 FCGDHM CC(C)(C)NS(=O)(=O)CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824094455 607351047 /nfs/dbraw/zinc/35/10/47/607351047.db2.gz VUQHBWDYYYPCPI-UHFFFAOYSA-N -1 3 353.408 0.028 20 50 FCGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C ZINC000826243582 607430507 /nfs/dbraw/zinc/43/05/07/607430507.db2.gz NMHFJOGAFSCKJY-GFCCVEGCSA-N -1 3 364.431 0.281 20 50 FCGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C ZINC000826243582 607430508 /nfs/dbraw/zinc/43/05/08/607430508.db2.gz NMHFJOGAFSCKJY-GFCCVEGCSA-N -1 3 364.431 0.281 20 50 FCGDHM O=C(NNC(=O)N1CC[C@H]([C@@H]2CCOC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444757 607537877 /nfs/dbraw/zinc/53/78/77/607537877.db2.gz SOQYPOFHZFLHAP-UONOGXRCSA-N -1 3 371.401 0.580 20 50 FCGDHM O=C(NNC(=O)N1CC[C@H]([C@@H]2CCOC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444757 607537878 /nfs/dbraw/zinc/53/78/78/607537878.db2.gz SOQYPOFHZFLHAP-UONOGXRCSA-N -1 3 371.401 0.580 20 50 FCGDHM O=C(NNC(=O)[C@H]1OCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000826444808 607538030 /nfs/dbraw/zinc/53/80/30/607538030.db2.gz VGRRGSLITNCKJF-HNNXBMFYSA-N -1 3 364.365 0.942 20 50 FCGDHM O=C(NNC(=O)[C@H]1OCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000826444808 607538032 /nfs/dbraw/zinc/53/80/32/607538032.db2.gz VGRRGSLITNCKJF-HNNXBMFYSA-N -1 3 364.365 0.942 20 50 FCGDHM Cc1ccc2ncc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)c(=O)n2c1 ZINC000826295332 607717909 /nfs/dbraw/zinc/71/79/09/607717909.db2.gz CKKABGBGYTYMHX-UHFFFAOYSA-N -1 3 362.353 0.940 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccnc1N1CCOCC1 ZINC000826448876 607718413 /nfs/dbraw/zinc/71/84/13/607718413.db2.gz QDXXZIGGXOETIH-UHFFFAOYSA-N -1 3 366.385 0.855 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccnc1N1CCOCC1 ZINC000826448876 607718415 /nfs/dbraw/zinc/71/84/15/607718415.db2.gz QDXXZIGGXOETIH-UHFFFAOYSA-N -1 3 366.385 0.855 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000823277839 606751610 /nfs/dbraw/zinc/75/16/10/606751610.db2.gz YFKSZDZRHVTJLV-MCIONIFRSA-N -1 3 371.401 0.768 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000823277839 606751611 /nfs/dbraw/zinc/75/16/11/606751611.db2.gz YFKSZDZRHVTJLV-MCIONIFRSA-N -1 3 371.401 0.768 20 50 FCGDHM CC1(C)C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824790841 607823225 /nfs/dbraw/zinc/82/32/25/607823225.db2.gz SJYFDHOVDVHGMW-LBPRGKRZSA-N -1 3 359.390 0.768 20 50 FCGDHM CC1(C)C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824790841 607823226 /nfs/dbraw/zinc/82/32/26/607823226.db2.gz SJYFDHOVDVHGMW-LBPRGKRZSA-N -1 3 359.390 0.768 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCOC[C@H](C)C2)cc(-c2nnn[n-]2)n1C ZINC000826235211 607825835 /nfs/dbraw/zinc/82/58/35/607825835.db2.gz FHVANHGJTVBNKB-JBARUQGQSA-N -1 3 355.402 0.916 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCOC[C@H](C)C2)cc(-c2nn[n-]n2)n1C ZINC000826235211 607825836 /nfs/dbraw/zinc/82/58/36/607825836.db2.gz FHVANHGJTVBNKB-JBARUQGQSA-N -1 3 355.402 0.916 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=Cc1cnn2cccnc12 ZINC000826417408 607882973 /nfs/dbraw/zinc/88/29/73/607882973.db2.gz QCIBPUNKAACMAK-UHFFFAOYSA-N -1 3 363.341 0.439 20 50 FCGDHM O=C(NCC1CCS(=O)(=O)CC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826435416 607928743 /nfs/dbraw/zinc/92/87/43/607928743.db2.gz NXTDKNMJNDLAPD-UHFFFAOYSA-N -1 3 365.419 0.318 20 50 FCGDHM O=C(NCC1CCS(=O)(=O)CC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826435416 607928744 /nfs/dbraw/zinc/92/87/44/607928744.db2.gz NXTDKNMJNDLAPD-UHFFFAOYSA-N -1 3 365.419 0.318 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CCO)C2CC2)cc(-c2nnn[n-]2)n1C ZINC000826235778 607941024 /nfs/dbraw/zinc/94/10/24/607941024.db2.gz QUCSIWXXSNGOKQ-SVSAJMPUSA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CCO)C2CC2)cc(-c2nn[n-]n2)n1C ZINC000826235778 607941025 /nfs/dbraw/zinc/94/10/25/607941025.db2.gz QUCSIWXXSNGOKQ-SVSAJMPUSA-N -1 3 355.402 0.698 20 50 FCGDHM CC[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C[C@@H]1O ZINC000825205032 608078095 /nfs/dbraw/zinc/07/80/95/608078095.db2.gz UZDVEGGGPLKNMU-WZBNGUSHSA-N -1 3 355.402 0.650 20 50 FCGDHM CC[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C[C@@H]1O ZINC000825205032 608078096 /nfs/dbraw/zinc/07/80/96/608078096.db2.gz UZDVEGGGPLKNMU-WZBNGUSHSA-N -1 3 355.402 0.650 20 50 FCGDHM C[C@@]1(C#N)CCCN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824779825 608125677 /nfs/dbraw/zinc/12/56/77/608125677.db2.gz XCGKCKIMFDMHSY-KRWDZBQOSA-N -1 3 368.401 0.253 20 50 FCGDHM C[C@@]1(C#N)CCCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824779825 608125678 /nfs/dbraw/zinc/12/56/78/608125678.db2.gz XCGKCKIMFDMHSY-KRWDZBQOSA-N -1 3 368.401 0.253 20 50 FCGDHM CC(C)(CCCO)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824152999 608273779 /nfs/dbraw/zinc/27/37/79/608273779.db2.gz XCXJUNDOARVGTR-UHFFFAOYSA-N -1 3 361.406 0.609 20 50 FCGDHM CC(C)(CCCO)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824152999 608273780 /nfs/dbraw/zinc/27/37/80/608273780.db2.gz XCXJUNDOARVGTR-UHFFFAOYSA-N -1 3 361.406 0.609 20 50 FCGDHM O=C(C[C@H](O)c1cccc(F)c1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826403967 608274518 /nfs/dbraw/zinc/27/45/18/608274518.db2.gz JYGAUCMIVFJKSY-AWEZNQCLSA-N -1 3 370.344 0.891 20 50 FCGDHM O=C(C[C@H](O)c1cccc(F)c1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826403967 608274520 /nfs/dbraw/zinc/27/45/20/608274520.db2.gz JYGAUCMIVFJKSY-AWEZNQCLSA-N -1 3 370.344 0.891 20 50 FCGDHM C[C@@H]1CC(NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)O1 ZINC000824894321 608401671 /nfs/dbraw/zinc/40/16/71/608401671.db2.gz YFKDBTSGZGKSRL-NXEZZACHSA-N -1 3 359.390 0.767 20 50 FCGDHM C[C@@H]1CC(NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)O1 ZINC000824894321 608401672 /nfs/dbraw/zinc/40/16/72/608401672.db2.gz YFKDBTSGZGKSRL-NXEZZACHSA-N -1 3 359.390 0.767 20 50 FCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)Cc1cccnc1 ZINC000825892007 608455515 /nfs/dbraw/zinc/45/55/15/608455515.db2.gz BFLFJZRNFPWZEF-UHFFFAOYSA-N -1 3 366.385 0.155 20 50 FCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)Cc1cccnc1 ZINC000825892007 608455517 /nfs/dbraw/zinc/45/55/17/608455517.db2.gz BFLFJZRNFPWZEF-UHFFFAOYSA-N -1 3 366.385 0.155 20 50 FCGDHM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)O1 ZINC000825838786 608536989 /nfs/dbraw/zinc/53/69/89/608536989.db2.gz CDDPZBQMHDZZNY-STQMWFEESA-N -1 3 374.405 0.129 20 50 FCGDHM CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)O1 ZINC000825838786 608536990 /nfs/dbraw/zinc/53/69/90/608536990.db2.gz CDDPZBQMHDZZNY-STQMWFEESA-N -1 3 374.405 0.129 20 50 FCGDHM CC(C)[C@@H](O)C1(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824199673 608589632 /nfs/dbraw/zinc/58/96/32/608589632.db2.gz LAQSPWCWILCOPC-CYBMUJFWSA-N -1 3 373.417 0.608 20 50 FCGDHM CC(C)[C@@H](O)C1(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824199673 608589634 /nfs/dbraw/zinc/58/96/34/608589634.db2.gz LAQSPWCWILCOPC-CYBMUJFWSA-N -1 3 373.417 0.608 20 50 FCGDHM CCc1ccc(C(=O)NNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825704926 609183086 /nfs/dbraw/zinc/18/30/86/609183086.db2.gz QKUGAZBCFYNEQY-HNNXBMFYSA-N -1 3 366.381 0.924 20 50 FCGDHM CCc1ccc(C(=O)NNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825704926 609183088 /nfs/dbraw/zinc/18/30/88/609183088.db2.gz QKUGAZBCFYNEQY-HNNXBMFYSA-N -1 3 366.381 0.924 20 50 FCGDHM CC(C)(C)OC(=O)NCC(=O)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000824109866 609307170 /nfs/dbraw/zinc/30/71/70/609307170.db2.gz XRAZJMYXKHXSKE-UHFFFAOYSA-N -1 3 351.392 0.903 20 50 FCGDHM COc1cc(OC)cc(C(=O)NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000826180867 609408883 /nfs/dbraw/zinc/40/88/83/609408883.db2.gz ALGFFBMGSIKHKH-UHFFFAOYSA-N -1 3 357.330 0.287 20 50 FCGDHM C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824738425 609410556 /nfs/dbraw/zinc/41/05/56/609410556.db2.gz OTTOQDADRCHDOQ-QMMMGPOBSA-N -1 3 359.321 0.562 20 50 FCGDHM C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824738425 609410557 /nfs/dbraw/zinc/41/05/57/609410557.db2.gz OTTOQDADRCHDOQ-QMMMGPOBSA-N -1 3 359.321 0.562 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H](CO)CC(F)(F)F ZINC000826445216 609446983 /nfs/dbraw/zinc/44/69/83/609446983.db2.gz LCIJCEFBALJEGD-VIFPVBQESA-N -1 3 373.295 0.124 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H](CO)CC(F)(F)F ZINC000826445216 609446985 /nfs/dbraw/zinc/44/69/85/609446985.db2.gz LCIJCEFBALJEGD-VIFPVBQESA-N -1 3 373.295 0.124 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCOC1 ZINC000824500402 609597453 /nfs/dbraw/zinc/59/74/53/609597453.db2.gz WMHGPZDADPDQLQ-GXFFZTMASA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCOC1 ZINC000824500402 609597456 /nfs/dbraw/zinc/59/74/56/609597456.db2.gz WMHGPZDADPDQLQ-GXFFZTMASA-N -1 3 359.390 0.626 20 50 FCGDHM Cc1ncc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000737491276 945081630 /nfs/dbraw/zinc/08/16/30/945081630.db2.gz FVFRKDGOJAUBEV-UHFFFAOYSA-N -1 3 358.387 0.776 20 50 FCGDHM Cc1ncc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000737491276 945081642 /nfs/dbraw/zinc/08/16/42/945081642.db2.gz FVFRKDGOJAUBEV-UHFFFAOYSA-N -1 3 358.387 0.776 20 50 FCGDHM Cn1cc(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)ccc1=O ZINC000737612145 945101828 /nfs/dbraw/zinc/10/18/28/945101828.db2.gz XEVQGZPMLARZKP-UHFFFAOYSA-N -1 3 354.330 0.032 20 50 FCGDHM Cn1cc(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)ccc1=O ZINC000737612145 945101831 /nfs/dbraw/zinc/10/18/31/945101831.db2.gz XEVQGZPMLARZKP-UHFFFAOYSA-N -1 3 354.330 0.032 20 50 FCGDHM O=C(CN1CCCCCCC1=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737872372 945140943 /nfs/dbraw/zinc/14/09/43/945140943.db2.gz GGPVRXQDMKILIP-UHFFFAOYSA-N -1 3 371.401 0.420 20 50 FCGDHM O=C(CN1CCCCCCC1=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737872372 945140948 /nfs/dbraw/zinc/14/09/48/945140948.db2.gz GGPVRXQDMKILIP-UHFFFAOYSA-N -1 3 371.401 0.420 20 50 FCGDHM O=C(CNC(=O)c1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737891092 945146526 /nfs/dbraw/zinc/14/65/26/945146526.db2.gz GLCFLZAZOPDQGH-UHFFFAOYSA-N -1 3 365.353 0.058 20 50 FCGDHM O=C(CNC(=O)c1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737891092 945146530 /nfs/dbraw/zinc/14/65/30/945146530.db2.gz GLCFLZAZOPDQGH-UHFFFAOYSA-N -1 3 365.353 0.058 20 50 FCGDHM O=C(NCCCN1C(=O)CCC1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000738065860 945180675 /nfs/dbraw/zinc/18/06/75/945180675.db2.gz LAXLYKBGLKUHKZ-UHFFFAOYSA-N -1 3 358.362 0.032 20 50 FCGDHM O=C(NCCCN1C(=O)CCC1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000738065860 945180678 /nfs/dbraw/zinc/18/06/78/945180678.db2.gz LAXLYKBGLKUHKZ-UHFFFAOYSA-N -1 3 358.362 0.032 20 50 FCGDHM O=C(NNS(=O)(=O)CCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134415 945219298 /nfs/dbraw/zinc/21/92/98/945219298.db2.gz LYPMETBWFNLCHQ-UHFFFAOYSA-N -1 3 372.410 0.674 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000738136473 945235621 /nfs/dbraw/zinc/23/56/21/945235621.db2.gz MGEYGTDBLBCECG-UHFFFAOYSA-N -1 3 354.286 0.245 20 50 FCGDHM O=Cc1ccc(OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000738314934 945259667 /nfs/dbraw/zinc/25/96/67/945259667.db2.gz YMHRAALTUOVPOG-UHFFFAOYSA-N -1 3 366.337 0.519 20 50 FCGDHM O=Cc1ccc(OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000738314934 945259674 /nfs/dbraw/zinc/25/96/74/945259674.db2.gz YMHRAALTUOVPOG-UHFFFAOYSA-N -1 3 366.337 0.519 20 50 FCGDHM C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000819883182 945305721 /nfs/dbraw/zinc/30/57/21/945305721.db2.gz FNDOWSFJVFOXCV-VIFPVBQESA-N -1 3 358.358 0.217 20 50 FCGDHM C[C@H](C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000819883182 945305727 /nfs/dbraw/zinc/30/57/27/945305727.db2.gz FNDOWSFJVFOXCV-VIFPVBQESA-N -1 3 358.358 0.217 20 50 FCGDHM CC(C)[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820016178 945330456 /nfs/dbraw/zinc/33/04/56/945330456.db2.gz KFHBWKAYAKFYRJ-JTQLQIEISA-N -1 3 360.374 0.463 20 50 FCGDHM CC(C)[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820016178 945330463 /nfs/dbraw/zinc/33/04/63/945330463.db2.gz KFHBWKAYAKFYRJ-JTQLQIEISA-N -1 3 360.374 0.463 20 50 FCGDHM CC(C)CCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820067122 945342306 /nfs/dbraw/zinc/34/23/06/945342306.db2.gz DDILKRJHIZRWFW-UHFFFAOYSA-N -1 3 360.374 0.607 20 50 FCGDHM CC(C)CCC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820067122 945342317 /nfs/dbraw/zinc/34/23/17/945342317.db2.gz DDILKRJHIZRWFW-UHFFFAOYSA-N -1 3 360.374 0.607 20 50 FCGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(-n2cnnn2)c1 ZINC000735448442 944657612 /nfs/dbraw/zinc/65/76/12/944657612.db2.gz RETDTWVDGVPJHU-UHFFFAOYSA-N -1 3 374.368 0.996 20 50 FCGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(-n2cnnn2)c1 ZINC000735448442 944657615 /nfs/dbraw/zinc/65/76/15/944657615.db2.gz RETDTWVDGVPJHU-UHFFFAOYSA-N -1 3 374.368 0.996 20 50 FCGDHM CC(C)C[C@@H]1COCCN1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735794897 944701024 /nfs/dbraw/zinc/70/10/24/944701024.db2.gz HNCMEKBHCDAYQU-CQSZACIVSA-N -1 3 373.417 0.968 20 50 FCGDHM CC(C)C[C@@H]1COCCN1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735794897 944701029 /nfs/dbraw/zinc/70/10/29/944701029.db2.gz HNCMEKBHCDAYQU-CQSZACIVSA-N -1 3 373.417 0.968 20 50 FCGDHM CC(C)CCC(=O)NNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735796943 944701837 /nfs/dbraw/zinc/70/18/37/944701837.db2.gz KRCMWBBRGMFSNR-UHFFFAOYSA-N -1 3 360.378 0.278 20 50 FCGDHM CC(C)CCC(=O)NNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735796943 944701844 /nfs/dbraw/zinc/70/18/44/944701844.db2.gz KRCMWBBRGMFSNR-UHFFFAOYSA-N -1 3 360.378 0.278 20 50 FCGDHM C[C@H](CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)n1cccc1 ZINC000735975303 944727938 /nfs/dbraw/zinc/72/79/38/944727938.db2.gz KTUBBMMMXVXWHA-GFCCVEGCSA-N -1 3 369.385 0.846 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)Cc1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736116117 944741029 /nfs/dbraw/zinc/74/10/29/944741029.db2.gz CEDPOMMVSNYPDJ-NSHDSACASA-N -1 3 366.385 0.896 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)Cc1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736116117 944741035 /nfs/dbraw/zinc/74/10/35/944741035.db2.gz CEDPOMMVSNYPDJ-NSHDSACASA-N -1 3 366.385 0.896 20 50 FCGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NN=c1ccnc(N(C)C)[nH]1 ZINC000736167705 944751269 /nfs/dbraw/zinc/75/12/69/944751269.db2.gz HATPHYUGNHYWSA-SNVBAGLBSA-N -1 3 369.389 0.633 20 50 FCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)Cc1ccccn1 ZINC000736170049 944753399 /nfs/dbraw/zinc/75/33/99/944753399.db2.gz QYHVHEMAAVQDPY-NSHDSACASA-N -1 3 367.369 0.419 20 50 FCGDHM CC1(C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)[C@H]2CCO[C@H]21 ZINC000736204688 944761792 /nfs/dbraw/zinc/76/17/92/944761792.db2.gz FSPYAYHGBUTMIG-JHJVBQTASA-N -1 3 371.401 0.624 20 50 FCGDHM CC1(C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)[C@H]2CCO[C@H]21 ZINC000736204688 944761799 /nfs/dbraw/zinc/76/17/99/944761799.db2.gz FSPYAYHGBUTMIG-JHJVBQTASA-N -1 3 371.401 0.624 20 50 FCGDHM CCCC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736409314 944814781 /nfs/dbraw/zinc/81/47/81/944814781.db2.gz IGEBTKHXPNZLKY-ZDUSSCGKSA-N -1 3 371.401 0.419 20 50 FCGDHM CCCC(=O)N1CCC[C@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736409314 944814787 /nfs/dbraw/zinc/81/47/87/944814787.db2.gz IGEBTKHXPNZLKY-ZDUSSCGKSA-N -1 3 371.401 0.419 20 50 FCGDHM CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736409310 944815589 /nfs/dbraw/zinc/81/55/89/944815589.db2.gz IGEBTKHXPNZLKY-CYBMUJFWSA-N -1 3 371.401 0.419 20 50 FCGDHM CCCC(=O)N1CCC[C@@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736409310 944815594 /nfs/dbraw/zinc/81/55/94/944815594.db2.gz IGEBTKHXPNZLKY-CYBMUJFWSA-N -1 3 371.401 0.419 20 50 FCGDHM CCN(CC(=O)NNC(=O)C1CC1)[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000736510674 944837798 /nfs/dbraw/zinc/83/77/98/944837798.db2.gz FJZBMZVTJFFSDT-LLVKDONJSA-N -1 3 357.418 0.807 20 50 FCGDHM CN(C)C(=O)[C@@H](NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736746851 944880755 /nfs/dbraw/zinc/88/07/55/944880755.db2.gz OTLDRBBAKFREJQ-HNNXBMFYSA-N -1 3 365.397 0.931 20 50 FCGDHM CN(C)C(=O)[C@@H](NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736746851 944880760 /nfs/dbraw/zinc/88/07/60/944880760.db2.gz OTLDRBBAKFREJQ-HNNXBMFYSA-N -1 3 365.397 0.931 20 50 FCGDHM CN(C)C(=O)NNC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000736751576 944883673 /nfs/dbraw/zinc/88/36/73/944883673.db2.gz NJSKIDQQCZQWRX-UHFFFAOYSA-N -1 3 368.357 0.970 20 50 FCGDHM CN(C)C(=O)NNC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000736751576 944883683 /nfs/dbraw/zinc/88/36/83/944883683.db2.gz NJSKIDQQCZQWRX-UHFFFAOYSA-N -1 3 368.357 0.970 20 50 FCGDHM COC(=O)[C@@H](NNC(=O)c1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736899193 944908269 /nfs/dbraw/zinc/90/82/69/944908269.db2.gz UGTGNQBTTITHNQ-ZDUSSCGKSA-N -1 3 353.342 0.410 20 50 FCGDHM COC(=O)[C@@H](NNC(=O)c1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736899193 944908276 /nfs/dbraw/zinc/90/82/76/944908276.db2.gz UGTGNQBTTITHNQ-ZDUSSCGKSA-N -1 3 353.342 0.410 20 50 FCGDHM COC[C@H]1CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000736970608 944921788 /nfs/dbraw/zinc/92/17/88/944921788.db2.gz DCUUTXSUDNVHQC-JVXNRYDGSA-N -1 3 355.402 0.916 20 50 FCGDHM COC[C@H]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736970608 944921796 /nfs/dbraw/zinc/92/17/96/944921796.db2.gz DCUUTXSUDNVHQC-JVXNRYDGSA-N -1 3 355.402 0.916 20 50 FCGDHM COCCN(CC(F)F)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736994349 944929148 /nfs/dbraw/zinc/92/91/48/944929148.db2.gz GJPHIGDLHDMYNS-UHFFFAOYSA-N -1 3 369.332 0.435 20 50 FCGDHM COCCN(CC(F)F)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736994349 944929163 /nfs/dbraw/zinc/92/91/63/944929163.db2.gz GJPHIGDLHDMYNS-UHFFFAOYSA-N -1 3 369.332 0.435 20 50 FCGDHM COc1cc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)ccn1 ZINC000737044642 944940200 /nfs/dbraw/zinc/94/02/00/944940200.db2.gz BDLFUXHXRNVVAE-UHFFFAOYSA-N -1 3 368.357 0.415 20 50 FCGDHM COc1cc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)ccn1 ZINC000737044642 944940212 /nfs/dbraw/zinc/94/02/12/944940212.db2.gz BDLFUXHXRNVVAE-UHFFFAOYSA-N -1 3 368.357 0.415 20 50 FCGDHM Cc1c(/C=C(\C#N)C(=O)Nc2cccn(C)c2=O)cc(-c2nn[n-]n2)n1C ZINC000737211601 944986921 /nfs/dbraw/zinc/98/69/21/944986921.db2.gz DJKYDNHRJKKGFH-KPKJPENVSA-N -1 3 364.369 0.758 20 50 FCGDHM C[C@H](O)[C@H](C)SCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820467872 945459885 /nfs/dbraw/zinc/45/98/85/945459885.db2.gz NRAPPXNUTFGQAV-IUCAKERBSA-N -1 3 350.404 0.130 20 50 FCGDHM C[C@H](O)[C@H](C)SCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820467872 945459889 /nfs/dbraw/zinc/45/98/89/945459889.db2.gz NRAPPXNUTFGQAV-IUCAKERBSA-N -1 3 350.404 0.130 20 50 FCGDHM CCC(C)(C)CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820848245 945570304 /nfs/dbraw/zinc/57/03/04/945570304.db2.gz UHDCFOKJBQUUEQ-UHFFFAOYSA-N -1 3 374.401 0.997 20 50 FCGDHM CCC(C)(C)CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820848245 945570309 /nfs/dbraw/zinc/57/03/09/945570309.db2.gz UHDCFOKJBQUUEQ-UHFFFAOYSA-N -1 3 374.401 0.997 20 50 FCGDHM CCC(CC)CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820892625 945583728 /nfs/dbraw/zinc/58/37/28/945583728.db2.gz DEPHOXKYAKWEJA-UHFFFAOYSA-N -1 3 374.401 0.997 20 50 FCGDHM CCC(CC)CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820892625 945583735 /nfs/dbraw/zinc/58/37/35/945583735.db2.gz DEPHOXKYAKWEJA-UHFFFAOYSA-N -1 3 374.401 0.997 20 50 FCGDHM CC[C@H](NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)C(=O)OC ZINC000820914262 945585733 /nfs/dbraw/zinc/58/57/33/945585733.db2.gz NITUPXUZCRBPLY-DSDFTUOUSA-N -1 3 357.374 0.488 20 50 FCGDHM CC[C@H](NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C(=O)OC ZINC000820914262 945585739 /nfs/dbraw/zinc/58/57/39/945585739.db2.gz NITUPXUZCRBPLY-DSDFTUOUSA-N -1 3 357.374 0.488 20 50 FCGDHM CC[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)O1 ZINC000820994646 945607353 /nfs/dbraw/zinc/60/73/53/945607353.db2.gz JOHJMBMRLZALCH-RISCZKNCSA-N -1 3 373.417 0.127 20 50 FCGDHM CC[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)O1 ZINC000820994646 945607360 /nfs/dbraw/zinc/60/73/60/945607360.db2.gz JOHJMBMRLZALCH-RISCZKNCSA-N -1 3 373.417 0.127 20 50 FCGDHM CCC/C(C)=C\C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821008126 945612495 /nfs/dbraw/zinc/61/24/95/945612495.db2.gz HDQZYLFMECWIMX-FLIBITNWSA-N -1 3 372.385 0.917 20 50 FCGDHM CCC/C(C)=C\C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821008126 945612499 /nfs/dbraw/zinc/61/24/99/945612499.db2.gz HDQZYLFMECWIMX-FLIBITNWSA-N -1 3 372.385 0.917 20 50 FCGDHM CCC[C@@H](NNC(=O)COc1ccccc1-c1nnn[n-]1)C(=O)OCC ZINC000821021198 945613554 /nfs/dbraw/zinc/61/35/54/945613554.db2.gz LQAVBRVFJLXDMR-GFCCVEGCSA-N -1 3 362.390 0.598 20 50 FCGDHM CCC[C@@H](NNC(=O)COc1ccccc1-c1nn[n-]n1)C(=O)OCC ZINC000821021198 945613556 /nfs/dbraw/zinc/61/35/56/945613556.db2.gz LQAVBRVFJLXDMR-GFCCVEGCSA-N -1 3 362.390 0.598 20 50 FCGDHM CCCCCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821043654 945623834 /nfs/dbraw/zinc/62/38/34/945623834.db2.gz ROLNHXKBBVNJME-UHFFFAOYSA-N -1 3 360.374 0.751 20 50 FCGDHM CCCCCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821043654 945623839 /nfs/dbraw/zinc/62/38/39/945623839.db2.gz ROLNHXKBBVNJME-UHFFFAOYSA-N -1 3 360.374 0.751 20 50 FCGDHM CCOC(=O)C[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821325851 945670704 /nfs/dbraw/zinc/67/07/04/945670704.db2.gz PEGTUOJSVVRGLD-QVASGMJFSA-N -1 3 371.401 0.879 20 50 FCGDHM CCOC(=O)C[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821325851 945670707 /nfs/dbraw/zinc/67/07/07/945670707.db2.gz PEGTUOJSVVRGLD-QVASGMJFSA-N -1 3 371.401 0.879 20 50 FCGDHM CO[C@H](CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000821677169 945796250 /nfs/dbraw/zinc/79/62/50/945796250.db2.gz QAOSHQJFQGBBRL-GFCCVEGCSA-N -1 3 361.406 0.872 20 50 FCGDHM CO[C@H](CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000821677169 945796253 /nfs/dbraw/zinc/79/62/53/945796253.db2.gz QAOSHQJFQGBBRL-GFCCVEGCSA-N -1 3 361.406 0.872 20 50 FCGDHM COc1ccc(NC(=S)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)cn1 ZINC000821835136 945878279 /nfs/dbraw/zinc/87/82/79/945878279.db2.gz FJMNBIQKGQTQHA-UHFFFAOYSA-N -1 3 373.402 0.240 20 50 FCGDHM COc1ccc(NC(=S)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)cn1 ZINC000821835136 945878292 /nfs/dbraw/zinc/87/82/92/945878292.db2.gz FJMNBIQKGQTQHA-UHFFFAOYSA-N -1 3 373.402 0.240 20 50 FCGDHM COc1cc[n-]c(=NNC(=O)C(C)(C)Oc2ccc(-c3nn[nH]n3)cc2)n1 ZINC000821903138 945900479 /nfs/dbraw/zinc/90/04/79/945900479.db2.gz BVLUETFBIBFNSC-UHFFFAOYSA-N -1 3 370.373 0.966 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)O[C@@H]2CCCNC2=O)cc(-c2nnn[n-]2)n1C ZINC000822026844 945926293 /nfs/dbraw/zinc/92/62/93/945926293.db2.gz AMVJEWJWVAFTHU-TUOYRWMMSA-N -1 3 355.358 0.242 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)O[C@@H]2CCCNC2=O)cc(-c2nn[n-]n2)n1C ZINC000822026844 945926297 /nfs/dbraw/zinc/92/62/97/945926297.db2.gz AMVJEWJWVAFTHU-TUOYRWMMSA-N -1 3 355.358 0.242 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)C(=O)N(C)C)cc(-c2nnn[n-]2)n1C ZINC000822027493 945934584 /nfs/dbraw/zinc/93/45/84/945934584.db2.gz HIKMHIUEVIULHS-PQTFEYQYSA-N -1 3 357.374 0.441 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)C(=O)N(C)C)cc(-c2nn[n-]n2)n1C ZINC000822027493 945934589 /nfs/dbraw/zinc/93/45/89/945934589.db2.gz HIKMHIUEVIULHS-PQTFEYQYSA-N -1 3 357.374 0.441 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCCN(C)C2=O)cc(-c2nnn[n-]2)n1C ZINC000822029405 945955612 /nfs/dbraw/zinc/95/56/12/945955612.db2.gz XXURZIFXRNUYEP-OTAKNEKHSA-N -1 3 368.401 0.158 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCCN(C)C2=O)cc(-c2nn[n-]n2)n1C ZINC000822029405 945955624 /nfs/dbraw/zinc/95/56/24/945955624.db2.gz XXURZIFXRNUYEP-OTAKNEKHSA-N -1 3 368.401 0.158 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)CCc1ccccc1O ZINC000822645651 946144670 /nfs/dbraw/zinc/14/46/70/946144670.db2.gz JANZJAQMXWDKBJ-UHFFFAOYSA-N -1 3 355.358 0.305 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)CCc1ccccc1O ZINC000822645651 946144673 /nfs/dbraw/zinc/14/46/73/946144673.db2.gz JANZJAQMXWDKBJ-UHFFFAOYSA-N -1 3 355.358 0.305 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)c1ccc2c(c1)OCO2 ZINC000822645970 946146994 /nfs/dbraw/zinc/14/69/94/946146994.db2.gz ZIKMTAFUYUNWJL-UHFFFAOYSA-N -1 3 355.314 0.009 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)c1ccc2c(c1)OCO2 ZINC000822645970 946146998 /nfs/dbraw/zinc/14/69/98/946146998.db2.gz ZIKMTAFUYUNWJL-UHFFFAOYSA-N -1 3 355.314 0.009 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)c1cc2c(s1)CCC2 ZINC000822645872 946147235 /nfs/dbraw/zinc/14/72/35/946147235.db2.gz UINPEXOBGBGGJX-UHFFFAOYSA-N -1 3 357.399 0.830 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)c1cc2c(s1)CCC2 ZINC000822645872 946147240 /nfs/dbraw/zinc/14/72/40/946147240.db2.gz UINPEXOBGBGGJX-UHFFFAOYSA-N -1 3 357.399 0.830 20 50 FCGDHM Cn1cc(C(=O)NNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c2ccccc21 ZINC000822669272 946149208 /nfs/dbraw/zinc/14/92/08/946149208.db2.gz ICQSGZLFZWUOCI-UHFFFAOYSA-N -1 3 350.342 0.761 20 50 FCGDHM Cn1cc(C(=O)NNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c2ccccc21 ZINC000822669272 946149215 /nfs/dbraw/zinc/14/92/15/946149215.db2.gz ICQSGZLFZWUOCI-UHFFFAOYSA-N -1 3 350.342 0.761 20 50 FCGDHM Cn1cccc1CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822693767 946158438 /nfs/dbraw/zinc/15/84/38/946158438.db2.gz JCIHAMJAQQOILE-UHFFFAOYSA-N -1 3 370.373 0.115 20 50 FCGDHM O=C(CNC(=O)c1cccs1)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823005331 946261056 /nfs/dbraw/zinc/26/10/56/946261056.db2.gz MLSJLEUSRWPQLI-UHFFFAOYSA-N -1 3 373.373 0.947 20 50 FCGDHM O=C(CNC(=O)c1cccs1)NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823005331 946261064 /nfs/dbraw/zinc/26/10/64/946261064.db2.gz MLSJLEUSRWPQLI-UHFFFAOYSA-N -1 3 373.373 0.947 20 50 FCGDHM O=C(CNC(=O)c1cccnc1)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823005155 946261322 /nfs/dbraw/zinc/26/13/22/946261322.db2.gz DXNZXDYRONHIPL-UHFFFAOYSA-N -1 3 368.332 0.281 20 50 FCGDHM O=C(CNC(=O)c1cccnc1)NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823005155 946261331 /nfs/dbraw/zinc/26/13/31/946261331.db2.gz DXNZXDYRONHIPL-UHFFFAOYSA-N -1 3 368.332 0.281 20 50 FCGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNc1cccnc1Cl ZINC000823005574 946264056 /nfs/dbraw/zinc/26/40/56/946264056.db2.gz XFCSKCSKYHWAQE-UHFFFAOYSA-N -1 3 372.776 0.788 20 50 FCGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNc1cccnc1Cl ZINC000823005574 946264068 /nfs/dbraw/zinc/26/40/68/946264068.db2.gz XFCSKCSKYHWAQE-UHFFFAOYSA-N -1 3 372.776 0.788 20 50 FCGDHM O=C(COC(=O)c1cccs1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823027318 946281361 /nfs/dbraw/zinc/28/13/61/946281361.db2.gz QYUYJLAUWAEGEO-UHFFFAOYSA-N -1 3 372.366 0.546 20 50 FCGDHM O=C(COC(=O)c1cccs1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823027318 946281369 /nfs/dbraw/zinc/28/13/69/946281369.db2.gz QYUYJLAUWAEGEO-UHFFFAOYSA-N -1 3 372.366 0.546 20 50 FCGDHM O=C(Cn1cnc2ccccc21)NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823136317 946327630 /nfs/dbraw/zinc/32/76/30/946327630.db2.gz VIQAXWBAQMISLJ-UHFFFAOYSA-N -1 3 351.330 0.006 20 50 FCGDHM O=C(Cn1cnc2ccccc21)NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823136317 946327637 /nfs/dbraw/zinc/32/76/37/946327637.db2.gz VIQAXWBAQMISLJ-UHFFFAOYSA-N -1 3 351.330 0.006 20 50 FCGDHM O=C(NN=Cc1ccc(-c2nnn[n-]2)s1)c1ccc(-n2cnnn2)cc1 ZINC000823273667 946385372 /nfs/dbraw/zinc/38/53/72/946385372.db2.gz TXTKTRPKSDUYFQ-UHFFFAOYSA-N -1 3 366.370 0.668 20 50 FCGDHM C[C@H](NCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccn1 ZINC000824563478 946802081 /nfs/dbraw/zinc/80/20/81/946802081.db2.gz PFCHUJBCBAICIY-NSHDSACASA-N -1 3 366.385 0.374 20 50 FCGDHM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1(C)C ZINC000826144588 947458235 /nfs/dbraw/zinc/45/82/35/947458235.db2.gz MUSQMUHKUIMSOZ-ZWKOPEQDSA-N -1 3 373.417 0.870 20 50 FCGDHM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC000826144588 947458237 /nfs/dbraw/zinc/45/82/37/947458237.db2.gz MUSQMUHKUIMSOZ-ZWKOPEQDSA-N -1 3 373.417 0.870 20 50 FCGDHM CS(=O)(=O)c1cccc(NNC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826224095 947661478 /nfs/dbraw/zinc/66/14/78/947661478.db2.gz OBUVFELFIPQTQU-UHFFFAOYSA-N -1 3 372.410 0.956 20 50 FCGDHM CS(=O)(=O)c1cccc(NNC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826224095 947661486 /nfs/dbraw/zinc/66/14/86/947661486.db2.gz OBUVFELFIPQTQU-UHFFFAOYSA-N -1 3 372.410 0.956 20 50 FCGDHM C[C@H](C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCO1 ZINC001573729717 948571703 /nfs/dbraw/zinc/57/17/03/948571703.db2.gz JRMJSQIFUGDEBG-GWCFXTLKSA-N -1 3 360.374 0.208 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccnc1N1CCOCC1 ZINC000826446874 607343877 /nfs/dbraw/zinc/34/38/77/607343877.db2.gz CCPFORWCEMOWOV-UHFFFAOYSA-N -1 3 366.385 0.855 20 50 FCGDHM NC(=O)N[C@@H](Cc1ccccc1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826392170 607344759 /nfs/dbraw/zinc/34/47/59/607344759.db2.gz PMMKPPFGTPRRGW-AWEZNQCLSA-N -1 3 366.385 0.589 20 50 FCGDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826327826 607349321 /nfs/dbraw/zinc/34/93/21/607349321.db2.gz VWQKIFRTGQATCL-UHFFFAOYSA-N -1 3 357.334 0.813 20 50 FCGDHM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409487 607351741 /nfs/dbraw/zinc/35/17/41/607351741.db2.gz BHSJJMTYNCTHGM-BETUJISGSA-N -1 3 369.385 0.485 20 50 FCGDHM O=C(Cn1nnc2ccccc2c1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826425670 607351830 /nfs/dbraw/zinc/35/18/30/607351830.db2.gz NYCCHDVRQQILHB-UHFFFAOYSA-N -1 3 363.341 0.115 20 50 FCGDHM C[C@]1(CCCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)NC(=O)NC1=O ZINC000824817095 607352730 /nfs/dbraw/zinc/35/27/30/607352730.db2.gz KKQWWEVQSBIHBC-OAHLLOKOSA-N -1 3 358.362 0.078 20 50 FCGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNc1ccccc1F ZINC000826411542 607463655 /nfs/dbraw/zinc/46/36/55/607463655.db2.gz CISWXPDMSIWBJL-UHFFFAOYSA-N -1 3 355.333 0.879 20 50 FCGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNc1ccccc1F ZINC000826411542 607463656 /nfs/dbraw/zinc/46/36/56/607463656.db2.gz CISWXPDMSIWBJL-UHFFFAOYSA-N -1 3 355.333 0.879 20 50 FCGDHM CCn1c(=O)c2ccccc2[nH]c1=NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825797340 607690302 /nfs/dbraw/zinc/69/03/02/607690302.db2.gz ZYGMWJQBOHHXEG-UHFFFAOYSA-N -1 3 365.357 0.682 20 50 FCGDHM CCn1c(=O)c2ccccc2[nH]c1=NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825797340 607690304 /nfs/dbraw/zinc/69/03/04/607690304.db2.gz ZYGMWJQBOHHXEG-UHFFFAOYSA-N -1 3 365.357 0.682 20 50 FCGDHM CCOC(=O)NCCCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825523602 607713007 /nfs/dbraw/zinc/71/30/07/607713007.db2.gz RCCKGFYZKVLRBP-UHFFFAOYSA-N -1 3 361.362 0.154 20 50 FCGDHM CCOC(=O)NCCCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825523602 607713009 /nfs/dbraw/zinc/71/30/09/607713009.db2.gz RCCKGFYZKVLRBP-UHFFFAOYSA-N -1 3 361.362 0.154 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCN1c1ncccn1 ZINC000826448407 607714582 /nfs/dbraw/zinc/71/45/82/607714582.db2.gz ULWTXOKIJHPYCL-CYBMUJFWSA-N -1 3 351.374 0.769 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCN1c1ncccn1 ZINC000826448407 607714584 /nfs/dbraw/zinc/71/45/84/607714584.db2.gz ULWTXOKIJHPYCL-CYBMUJFWSA-N -1 3 351.374 0.769 20 50 FCGDHM O=C(Cn1ncc2ccccc2c1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826425516 607726539 /nfs/dbraw/zinc/72/65/39/607726539.db2.gz HTTFYNHEUYDLJF-UHFFFAOYSA-N -1 3 362.353 0.720 20 50 FCGDHM O=C(Cn1ncc2ccccc2c1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826425516 607726541 /nfs/dbraw/zinc/72/65/41/607726541.db2.gz HTTFYNHEUYDLJF-UHFFFAOYSA-N -1 3 362.353 0.720 20 50 FCGDHM CNC(=O)c1cncc(C=CC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826073243 607733150 /nfs/dbraw/zinc/73/31/50/607733150.db2.gz LEQINSJHEYQWTD-AATRIKPKSA-N -1 3 364.369 0.778 20 50 FCGDHM CNC(=O)c1cncc(C=CC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826073243 607733152 /nfs/dbraw/zinc/73/31/52/607733152.db2.gz LEQINSJHEYQWTD-AATRIKPKSA-N -1 3 364.369 0.778 20 50 FCGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H]1COCCO1 ZINC000823281356 606128070 /nfs/dbraw/zinc/12/80/70/606128070.db2.gz RDHPCHISVIXINN-JTQLQIEISA-N -1 3 358.280 0.744 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@@H]1COCCO1 ZINC000823281356 606128071 /nfs/dbraw/zinc/12/80/71/606128071.db2.gz RDHPCHISVIXINN-JTQLQIEISA-N -1 3 358.280 0.744 20 50 FCGDHM O=C(NN=c1nc(N2CCOCC2)cc[nH]1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823285696 606831119 /nfs/dbraw/zinc/83/11/19/606831119.db2.gz YZIMBRBKNONMCX-UHFFFAOYSA-N -1 3 367.373 0.250 20 50 FCGDHM O=C(NN=c1nc(N2CCOCC2)cc[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823285696 606831120 /nfs/dbraw/zinc/83/11/20/606831120.db2.gz YZIMBRBKNONMCX-UHFFFAOYSA-N -1 3 367.373 0.250 20 50 FCGDHM CC(=O)N1CC[C@@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC000823974450 607781929 /nfs/dbraw/zinc/78/19/29/607781929.db2.gz PKJGPUOGJGROAX-IINYFYTJSA-N -1 3 358.406 0.750 20 50 FCGDHM CC(=O)N1CC[C@@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC000823974450 607781930 /nfs/dbraw/zinc/78/19/30/607781930.db2.gz PKJGPUOGJGROAX-IINYFYTJSA-N -1 3 358.406 0.750 20 50 FCGDHM CCN(CC(=O)NC)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825394416 607938948 /nfs/dbraw/zinc/93/89/48/607938948.db2.gz CKMRXQUDDZGAMA-SDQBBNPISA-N -1 3 356.390 0.015 20 50 FCGDHM CCN(CC(=O)NC)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825394416 607938949 /nfs/dbraw/zinc/93/89/49/607938949.db2.gz CKMRXQUDDZGAMA-SDQBBNPISA-N -1 3 356.390 0.015 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cncc(N2CCOCC2)c1 ZINC000826449498 607943461 /nfs/dbraw/zinc/94/34/61/607943461.db2.gz VVQJIYZUDQVZDM-UHFFFAOYSA-N -1 3 366.385 0.855 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cncc(N2CCOCC2)c1 ZINC000826449498 607943462 /nfs/dbraw/zinc/94/34/62/607943462.db2.gz VVQJIYZUDQVZDM-UHFFFAOYSA-N -1 3 366.385 0.855 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2cc(C)ncn2)cc(-c2nnn[n-]2)n1C ZINC000826267092 607944114 /nfs/dbraw/zinc/94/41/14/607944114.db2.gz PJNRHGUDSIAZBJ-ACAGNQJTSA-N -1 3 363.385 0.835 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2cc(C)ncn2)cc(-c2nn[n-]n2)n1C ZINC000826267092 607944115 /nfs/dbraw/zinc/94/41/15/607944115.db2.gz PJNRHGUDSIAZBJ-ACAGNQJTSA-N -1 3 363.385 0.835 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)c1cn[nH]c1 ZINC000824500664 607959275 /nfs/dbraw/zinc/95/92/75/607959275.db2.gz ZBEDWCWGIARMAC-VIFPVBQESA-N -1 3 371.361 0.060 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)c1cn[nH]c1 ZINC000824500664 607959276 /nfs/dbraw/zinc/95/92/76/607959276.db2.gz ZBEDWCWGIARMAC-VIFPVBQESA-N -1 3 371.361 0.060 20 50 FCGDHM CCC[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825253460 607992927 /nfs/dbraw/zinc/99/29/27/607992927.db2.gz MVVLXXDXBWWDDX-CQSZACIVSA-N -1 3 373.417 0.129 20 50 FCGDHM CCC[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825253460 607992928 /nfs/dbraw/zinc/99/29/28/607992928.db2.gz MVVLXXDXBWWDDX-CQSZACIVSA-N -1 3 373.417 0.129 20 50 FCGDHM CCCC[C@@H](NNC(=O)COc1ccccc1-c1nnn[n-]1)C(=O)OC ZINC000825267311 608097837 /nfs/dbraw/zinc/09/78/37/608097837.db2.gz KNCVOVZURVYGOD-GFCCVEGCSA-N -1 3 362.390 0.598 20 50 FCGDHM CCCC[C@@H](NNC(=O)COc1ccccc1-c1nn[n-]n1)C(=O)OC ZINC000825267311 608097838 /nfs/dbraw/zinc/09/78/38/608097838.db2.gz KNCVOVZURVYGOD-GFCCVEGCSA-N -1 3 362.390 0.598 20 50 FCGDHM C[C@]1(C#N)CCCN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824779827 608125927 /nfs/dbraw/zinc/12/59/27/608125927.db2.gz XCGKCKIMFDMHSY-QGZVFWFLSA-N -1 3 368.401 0.253 20 50 FCGDHM C[C@]1(C#N)CCCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824779827 608125928 /nfs/dbraw/zinc/12/59/28/608125928.db2.gz XCGKCKIMFDMHSY-QGZVFWFLSA-N -1 3 368.401 0.253 20 50 FCGDHM COc1cccc(NNC(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2C)n1 ZINC000826216906 608142003 /nfs/dbraw/zinc/14/20/03/608142003.db2.gz RRSVAXPOGHYLOQ-UHFFFAOYSA-N -1 3 368.357 0.661 20 50 FCGDHM COc1cccc(NNC(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2C)n1 ZINC000826216906 608142004 /nfs/dbraw/zinc/14/20/04/608142004.db2.gz RRSVAXPOGHYLOQ-UHFFFAOYSA-N -1 3 368.357 0.661 20 50 FCGDHM C[C@H]1C[C@H](CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824884353 608162850 /nfs/dbraw/zinc/16/28/50/608162850.db2.gz NQKBBLZEZSHSFD-WDEREUQCSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@H]1C[C@H](CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824884353 608162853 /nfs/dbraw/zinc/16/28/53/608162853.db2.gz NQKBBLZEZSHSFD-WDEREUQCSA-N -1 3 359.390 0.626 20 50 FCGDHM O=C(NNC(=O)[C@@H](O)CCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444545 608197654 /nfs/dbraw/zinc/19/76/54/608197654.db2.gz KVUGMDVJFIKVGV-HNNXBMFYSA-N -1 3 366.381 0.621 20 50 FCGDHM O=C(NNC(=O)[C@@H](O)CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444545 608197656 /nfs/dbraw/zinc/19/76/56/608197656.db2.gz KVUGMDVJFIKVGV-HNNXBMFYSA-N -1 3 366.381 0.621 20 50 FCGDHM CC(C)(CCCO)CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824152905 608273464 /nfs/dbraw/zinc/27/34/64/608273464.db2.gz SGDCXICRZYJSDN-UHFFFAOYSA-N -1 3 361.406 0.609 20 50 FCGDHM CC(C)(CCCO)CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824152905 608273465 /nfs/dbraw/zinc/27/34/65/608273465.db2.gz SGDCXICRZYJSDN-UHFFFAOYSA-N -1 3 361.406 0.609 20 50 FCGDHM COCC1(C)CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826152491 608320938 /nfs/dbraw/zinc/32/09/38/608320938.db2.gz BBJNIWHHRMTKQB-UHFFFAOYSA-N -1 3 373.417 0.970 20 50 FCGDHM COCC1(C)CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826152491 608320940 /nfs/dbraw/zinc/32/09/40/608320940.db2.gz BBJNIWHHRMTKQB-UHFFFAOYSA-N -1 3 373.417 0.970 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CO)CC(C)C)cc(-c2nnn[n-]2)n1C ZINC000826235551 608472821 /nfs/dbraw/zinc/47/28/21/608472821.db2.gz LSDJNFKUBZPHLQ-XMRSSTEGSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CO)CC(C)C)cc(-c2nn[n-]n2)n1C ZINC000826235551 608472823 /nfs/dbraw/zinc/47/28/23/608472823.db2.gz LSDJNFKUBZPHLQ-XMRSSTEGSA-N -1 3 357.418 0.944 20 50 FCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NOC1CCCC1 ZINC000826419502 608546689 /nfs/dbraw/zinc/54/66/89/608546689.db2.gz ZYGJRRKCPNJBGV-UHFFFAOYSA-N -1 3 361.362 0.450 20 50 FCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NOC1CCCC1 ZINC000826419502 608546690 /nfs/dbraw/zinc/54/66/90/608546690.db2.gz ZYGJRRKCPNJBGV-UHFFFAOYSA-N -1 3 361.362 0.450 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2C[C@H](CO)OC[C@H]2C)cc(-c2nnn[n-]2)n1C ZINC000826235480 608621094 /nfs/dbraw/zinc/62/10/94/608621094.db2.gz KSDODYXSMAXPQN-ILGUQDFOSA-N -1 3 371.401 0.029 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2C[C@H](CO)OC[C@H]2C)cc(-c2nn[n-]n2)n1C ZINC000826235480 608621096 /nfs/dbraw/zinc/62/10/96/608621096.db2.gz KSDODYXSMAXPQN-ILGUQDFOSA-N -1 3 371.401 0.029 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccc(-n2cnnn2)cc1 ZINC000826448251 608805391 /nfs/dbraw/zinc/80/53/91/608805391.db2.gz NZSYSENXRHZDEH-UHFFFAOYSA-N -1 3 363.345 0.991 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccc(-n2cnnn2)cc1 ZINC000826448251 608805394 /nfs/dbraw/zinc/80/53/94/608805394.db2.gz NZSYSENXRHZDEH-UHFFFAOYSA-N -1 3 363.345 0.991 20 50 FCGDHM CCc1nnc2n1C[C@H](NC(=O)NNc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000825770588 609182158 /nfs/dbraw/zinc/18/21/58/609182158.db2.gz COTHSTIHAJTHTG-GFCCVEGCSA-N -1 3 368.405 0.662 20 50 FCGDHM CCc1nnc2n1C[C@H](NC(=O)NNc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000825770588 609182159 /nfs/dbraw/zinc/18/21/59/609182159.db2.gz COTHSTIHAJTHTG-GFCCVEGCSA-N -1 3 368.405 0.662 20 50 FCGDHM O=C(NNc1cc(-c2nn[n-]n2)cc(Cl)n1)c1cccn2c(=O)[nH]nc12 ZINC000826445648 609259474 /nfs/dbraw/zinc/25/94/74/609259474.db2.gz DEYBRYLAEXMEDJ-UHFFFAOYSA-N -1 3 372.736 0.420 20 50 FCGDHM CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948167 609274717 /nfs/dbraw/zinc/27/47/17/609274717.db2.gz FGJIJDGMYXDNLZ-JTQLQIEISA-N -1 3 366.378 0.281 20 50 FCGDHM CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948167 609274718 /nfs/dbraw/zinc/27/47/18/609274718.db2.gz FGJIJDGMYXDNLZ-JTQLQIEISA-N -1 3 366.378 0.281 20 50 FCGDHM COCCO[C@H](C)C(=O)NN=C(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826160444 609277576 /nfs/dbraw/zinc/27/75/76/609277576.db2.gz RQCOEOAJVBGWKC-SNVBAGLBSA-N -1 3 350.354 0.898 20 50 FCGDHM COCCO[C@H](C)C(=O)NN=C(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826160444 609277578 /nfs/dbraw/zinc/27/75/78/609277578.db2.gz RQCOEOAJVBGWKC-SNVBAGLBSA-N -1 3 350.354 0.898 20 50 FCGDHM Cc1cc(C)cc(OCC(=O)NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000826264607 609408744 /nfs/dbraw/zinc/40/87/44/609408744.db2.gz UCNUQWMUXWJQOX-UHFFFAOYSA-N -1 3 355.358 0.652 20 50 FCGDHM Cc1cc(C)cc(OCC(=O)NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000826264607 609408746 /nfs/dbraw/zinc/40/87/46/609408746.db2.gz UCNUQWMUXWJQOX-UHFFFAOYSA-N -1 3 355.358 0.652 20 50 FCGDHM COc1ccccc1OCC(=O)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826220483 609408766 /nfs/dbraw/zinc/40/87/66/609408766.db2.gz PCWDKWUTCHIAPD-UHFFFAOYSA-N -1 3 357.330 0.043 20 50 FCGDHM COc1ccccc1OCC(=O)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826220483 609408768 /nfs/dbraw/zinc/40/87/68/609408768.db2.gz PCWDKWUTCHIAPD-UHFFFAOYSA-N -1 3 357.330 0.043 20 50 FCGDHM CCOc1ccc(C(=O)NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1OC ZINC000825631453 609410871 /nfs/dbraw/zinc/41/08/71/609410871.db2.gz AAESFTMNPXMLLR-UHFFFAOYSA-N -1 3 371.357 0.677 20 50 FCGDHM CCOc1ccc(C(=O)NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1OC ZINC000825631453 609410874 /nfs/dbraw/zinc/41/08/74/609410874.db2.gz AAESFTMNPXMLLR-UHFFFAOYSA-N -1 3 371.357 0.677 20 50 FCGDHM CC(C)(C#N)CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824059131 609411689 /nfs/dbraw/zinc/41/16/89/609411689.db2.gz NMDQSDOIKSTSML-UHFFFAOYSA-N -1 3 358.362 0.126 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H](CO)c1ccccc1 ZINC000826444996 609445053 /nfs/dbraw/zinc/44/50/53/609445053.db2.gz BYHCDRUIVOPPIS-CQSZACIVSA-N -1 3 367.369 0.544 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H](CO)c1ccccc1 ZINC000826444996 609445056 /nfs/dbraw/zinc/44/50/56/609445056.db2.gz BYHCDRUIVOPPIS-CQSZACIVSA-N -1 3 367.369 0.544 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H](CO)CC(F)(F)F ZINC000826445215 609446727 /nfs/dbraw/zinc/44/67/27/609446727.db2.gz LCIJCEFBALJEGD-SECBINFHSA-N -1 3 373.295 0.124 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H](CO)CC(F)(F)F ZINC000826445215 609446729 /nfs/dbraw/zinc/44/67/29/609446729.db2.gz LCIJCEFBALJEGD-SECBINFHSA-N -1 3 373.295 0.124 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H](CO)C1CCCCC1 ZINC000826445507 609447319 /nfs/dbraw/zinc/44/73/19/609447319.db2.gz XIXVXAWWISKJQU-CQSZACIVSA-N -1 3 373.417 0.752 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H](CO)C1CCCCC1 ZINC000826445507 609447321 /nfs/dbraw/zinc/44/73/21/609447321.db2.gz XIXVXAWWISKJQU-CQSZACIVSA-N -1 3 373.417 0.752 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H](CO)C1CCCCC1 ZINC000826445506 609447803 /nfs/dbraw/zinc/44/78/03/609447803.db2.gz XIXVXAWWISKJQU-AWEZNQCLSA-N -1 3 373.417 0.752 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H](CO)C1CCCCC1 ZINC000826445506 609447805 /nfs/dbraw/zinc/44/78/05/609447805.db2.gz XIXVXAWWISKJQU-AWEZNQCLSA-N -1 3 373.417 0.752 20 50 FCGDHM CC[C@H]1C[C@H](C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825183913 609533986 /nfs/dbraw/zinc/53/39/86/609533986.db2.gz PZFDXYFNKWRGDG-OLZOCXBDSA-N -1 3 374.401 0.598 20 50 FCGDHM Cc1n[nH]cc1CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000737453599 945071374 /nfs/dbraw/zinc/07/13/74/945071374.db2.gz PWLZBNRGCYJTNX-UUILKARUSA-N -1 3 351.374 0.769 20 50 FCGDHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NNc2cccnn2)cc1 ZINC000737777262 945124063 /nfs/dbraw/zinc/12/40/63/945124063.db2.gz RSKPBTUSGDBJBP-UHFFFAOYSA-N -1 3 363.345 0.182 20 50 FCGDHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NNc2cccnn2)cc1 ZINC000737777262 945124069 /nfs/dbraw/zinc/12/40/69/945124069.db2.gz RSKPBTUSGDBJBP-UHFFFAOYSA-N -1 3 363.345 0.182 20 50 FCGDHM O=C(C=Cc1cncc(F)c1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737805360 945128324 /nfs/dbraw/zinc/12/83/24/945128324.db2.gz HPLGXNVQLLUPCJ-BHQIHCQQSA-N -1 3 353.317 0.875 20 50 FCGDHM O=C(C=Cc1cncc(F)c1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737805360 945128329 /nfs/dbraw/zinc/12/83/29/945128329.db2.gz HPLGXNVQLLUPCJ-BHQIHCQQSA-N -1 3 353.317 0.875 20 50 FCGDHM O=C(C=Cc1cncc(F)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737810644 945129295 /nfs/dbraw/zinc/12/92/95/945129295.db2.gz ZYUSBWTYBYDZBR-SNAWJCMRSA-N -1 3 353.317 0.875 20 50 FCGDHM O=C(C=Cc1cncc(F)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737810644 945129299 /nfs/dbraw/zinc/12/92/99/945129299.db2.gz ZYUSBWTYBYDZBR-SNAWJCMRSA-N -1 3 353.317 0.875 20 50 FCGDHM O=C(CN(Cc1ccc(-c2nnn[n-]2)cc1)C1CC1)NNC(=O)C1CC1 ZINC000737862858 945140178 /nfs/dbraw/zinc/14/01/78/945140178.db2.gz CPPJRNPKVUUJFA-UHFFFAOYSA-N -1 3 355.402 0.389 20 50 FCGDHM O=C(CN(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1)NNC(=O)C1CC1 ZINC000737862858 945140183 /nfs/dbraw/zinc/14/01/83/945140183.db2.gz CPPJRNPKVUUJFA-UHFFFAOYSA-N -1 3 355.402 0.389 20 50 FCGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNC(=O)c1ccccc1 ZINC000737888811 945144325 /nfs/dbraw/zinc/14/43/25/945144325.db2.gz GDGVCWXGDTXJJV-UHFFFAOYSA-N -1 3 365.353 0.058 20 50 FCGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNC(=O)c1ccccc1 ZINC000737888811 945144332 /nfs/dbraw/zinc/14/43/32/945144332.db2.gz GDGVCWXGDTXJJV-UHFFFAOYSA-N -1 3 365.353 0.058 20 50 FCGDHM O=C(COCCc1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737917501 945150400 /nfs/dbraw/zinc/15/04/00/945150400.db2.gz ZCVUGZWFIOVRIZ-UHFFFAOYSA-N -1 3 366.381 0.887 20 50 FCGDHM O=C(COCCc1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737917501 945150410 /nfs/dbraw/zinc/15/04/10/945150410.db2.gz ZCVUGZWFIOVRIZ-UHFFFAOYSA-N -1 3 366.381 0.887 20 50 FCGDHM O=C(COc1ccccc1O)NNC(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000737931146 945158482 /nfs/dbraw/zinc/15/84/82/945158482.db2.gz UECLMMZOIAGHAX-UHFFFAOYSA-N -1 3 369.341 0.804 20 50 FCGDHM O=C(COc1ccccc1O)NNC(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000737931146 945158485 /nfs/dbraw/zinc/15/84/85/945158485.db2.gz UECLMMZOIAGHAX-UHFFFAOYSA-N -1 3 369.341 0.804 20 50 FCGDHM O=C(NC[C@@H](O)C1CCCCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738039915 945175855 /nfs/dbraw/zinc/17/58/55/945175855.db2.gz NVNRCNJRWKKAHX-CQSZACIVSA-N -1 3 373.417 0.752 20 50 FCGDHM O=C(NC[C@@H](O)C1CCCCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738039915 945175860 /nfs/dbraw/zinc/17/58/60/945175860.db2.gz NVNRCNJRWKKAHX-CQSZACIVSA-N -1 3 373.417 0.752 20 50 FCGDHM O=C(NCCc1ccc(O)cc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738088651 945185005 /nfs/dbraw/zinc/18/50/05/945185005.db2.gz SIYCRJVJJISJBZ-UHFFFAOYSA-N -1 3 367.369 0.759 20 50 FCGDHM O=C(NCCc1ccc(O)cc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738088651 945185010 /nfs/dbraw/zinc/18/50/10/945185010.db2.gz SIYCRJVJJISJBZ-UHFFFAOYSA-N -1 3 367.369 0.759 20 50 FCGDHM O=C(NCc1cccc(O)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738118131 945192370 /nfs/dbraw/zinc/19/23/70/945192370.db2.gz YJLPWFFHCDUGAX-UHFFFAOYSA-N -1 3 353.342 0.717 20 50 FCGDHM O=C(NCc1cccc(O)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738118131 945192371 /nfs/dbraw/zinc/19/23/71/945192371.db2.gz YJLPWFFHCDUGAX-UHFFFAOYSA-N -1 3 353.342 0.717 20 50 FCGDHM O=C(NNC(=O)C1(C(=O)NC2CC2)CCC1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738129450 945200523 /nfs/dbraw/zinc/20/05/23/945200523.db2.gz CEBUZGYPTHIKHC-UHFFFAOYSA-N -1 3 369.385 0.077 20 50 FCGDHM O=C(NNC(=O)C1(C(=O)NC2CC2)CCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738129450 945200528 /nfs/dbraw/zinc/20/05/28/945200528.db2.gz CEBUZGYPTHIKHC-UHFFFAOYSA-N -1 3 369.385 0.077 20 50 FCGDHM O=C(NNC(=O)[C@@H]1CSCCS1)c1cccc(-c2nnn[n-]2)c1 ZINC000738130983 945213100 /nfs/dbraw/zinc/21/31/00/945213100.db2.gz YRSUNEHJSKZITN-JTQLQIEISA-N -1 3 350.429 0.476 20 50 FCGDHM O=C(NNC(=O)[C@@H]1CSCCS1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130983 945213111 /nfs/dbraw/zinc/21/31/11/945213111.db2.gz YRSUNEHJSKZITN-JTQLQIEISA-N -1 3 350.429 0.476 20 50 FCGDHM O=C([N-]NC(=O)c1cccc(-c2nn[nH]n2)c1)c1csc([N+](=O)[O-])c1 ZINC000738134941 945224890 /nfs/dbraw/zinc/22/48/90/945224890.db2.gz ZWGILLJEWLGRRI-UHFFFAOYSA-N -1 3 359.327 0.911 20 50 FCGDHM CC(=O)Nc1cncc(C(=O)NN=Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000819828031 945295523 /nfs/dbraw/zinc/29/55/23/945295523.db2.gz XVFWGRQGDVDULF-UHFFFAOYSA-N -1 3 350.342 0.984 20 50 FCGDHM CC(=O)Nc1cncc(C(=O)NN=Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000819828031 945295526 /nfs/dbraw/zinc/29/55/26/945295526.db2.gz XVFWGRQGDVDULF-UHFFFAOYSA-N -1 3 350.342 0.984 20 50 FCGDHM C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000819883180 945306795 /nfs/dbraw/zinc/30/67/95/945306795.db2.gz FNDOWSFJVFOXCV-SECBINFHSA-N -1 3 358.358 0.217 20 50 FCGDHM C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000819883180 945306802 /nfs/dbraw/zinc/30/68/02/945306802.db2.gz FNDOWSFJVFOXCV-SECBINFHSA-N -1 3 358.358 0.217 20 50 FCGDHM CC(C)(C)/C=C\C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819906071 945309823 /nfs/dbraw/zinc/30/98/23/945309823.db2.gz CBGJXMMPPDUNSF-FPLPWBNLSA-N -1 3 372.385 0.773 20 50 FCGDHM CC(C)(C)/C=C\C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819906071 945309834 /nfs/dbraw/zinc/30/98/34/945309834.db2.gz CBGJXMMPPDUNSF-FPLPWBNLSA-N -1 3 372.385 0.773 20 50 FCGDHM CC(C)(C)N1C[C@@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000735617818 944681879 /nfs/dbraw/zinc/68/18/79/944681879.db2.gz ARGCDFHMYDSAIR-LBPRGKRZSA-N -1 3 371.401 0.275 20 50 FCGDHM CC(C)(C)N1C[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000735617818 944681884 /nfs/dbraw/zinc/68/18/84/944681884.db2.gz ARGCDFHMYDSAIR-LBPRGKRZSA-N -1 3 371.401 0.275 20 50 FCGDHM C[C@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)[C@H](C)N1CCOCC1 ZINC000736119829 944745207 /nfs/dbraw/zinc/74/52/07/944745207.db2.gz UYFQGNCWWMOVRZ-RYUDHWBXSA-N -1 3 360.422 0.602 20 50 FCGDHM C[C@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)[C@H](C)N1CCOCC1 ZINC000736119829 944745215 /nfs/dbraw/zinc/74/52/15/944745215.db2.gz UYFQGNCWWMOVRZ-RYUDHWBXSA-N -1 3 360.422 0.602 20 50 FCGDHM C[C@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736164146 944750856 /nfs/dbraw/zinc/75/08/56/944750856.db2.gz NCKQREANLPMTNB-FZMZJTMJSA-N -1 3 374.401 0.602 20 50 FCGDHM C[C@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736164146 944750870 /nfs/dbraw/zinc/75/08/70/944750870.db2.gz NCKQREANLPMTNB-FZMZJTMJSA-N -1 3 374.401 0.602 20 50 FCGDHM CC[C@@H]1CN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC000736412580 944814648 /nfs/dbraw/zinc/81/46/48/944814648.db2.gz VZIKMHDELKQPHM-GXFFZTMASA-N -1 3 359.390 0.720 20 50 FCGDHM CC[C@@H]1CN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H](C)O1 ZINC000736412580 944814655 /nfs/dbraw/zinc/81/46/55/944814655.db2.gz VZIKMHDELKQPHM-GXFFZTMASA-N -1 3 359.390 0.720 20 50 FCGDHM CCOCCCNC(=O)C(C#N)=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000736617648 944856496 /nfs/dbraw/zinc/85/64/96/944856496.db2.gz ZQNOZEKVFLBMOW-MDWZMJQESA-N -1 3 366.385 0.964 20 50 FCGDHM CCOCCCNC(=O)C(C#N)=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000736617648 944856505 /nfs/dbraw/zinc/85/65/05/944856505.db2.gz ZQNOZEKVFLBMOW-MDWZMJQESA-N -1 3 366.385 0.964 20 50 FCGDHM CCn1nc(C)c(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736729011 944879691 /nfs/dbraw/zinc/87/96/91/944879691.db2.gz RNQFVMKPDDIJDT-UHFFFAOYSA-N -1 3 354.374 0.775 20 50 FCGDHM CCn1cc(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)cn1 ZINC000736723969 944879861 /nfs/dbraw/zinc/87/98/61/944879861.db2.gz ZWQOVMGFWRWEPS-RZNTYIFUSA-N -1 3 365.401 0.953 20 50 FCGDHM COC(=O)[C@H](C)CN(C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736889183 944905231 /nfs/dbraw/zinc/90/52/31/944905231.db2.gz QUEKQXPWBNDVFQ-YRVKEHPISA-N -1 3 371.401 0.688 20 50 FCGDHM COC(=O)[C@H](C)CN(C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736889183 944905235 /nfs/dbraw/zinc/90/52/35/944905235.db2.gz QUEKQXPWBNDVFQ-YRVKEHPISA-N -1 3 371.401 0.688 20 50 FCGDHM COC(=O)N1CCC[C@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000736936877 944914812 /nfs/dbraw/zinc/91/48/12/944914812.db2.gz RWKFKGVBWVHEIY-LBPRGKRZSA-N -1 3 360.378 0.724 20 50 FCGDHM COC(=O)N1CCC[C@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000736936877 944914817 /nfs/dbraw/zinc/91/48/17/944914817.db2.gz RWKFKGVBWVHEIY-LBPRGKRZSA-N -1 3 360.378 0.724 20 50 FCGDHM CO[C@H](CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000736961742 944919576 /nfs/dbraw/zinc/91/95/76/944919576.db2.gz LPIMUJDIUVUPHS-SECBINFHSA-N -1 3 373.295 0.388 20 50 FCGDHM CO[C@H](CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000736961742 944919579 /nfs/dbraw/zinc/91/95/79/944919579.db2.gz LPIMUJDIUVUPHS-SECBINFHSA-N -1 3 373.295 0.388 20 50 FCGDHM COCC[C@@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736978133 944923907 /nfs/dbraw/zinc/92/39/07/944923907.db2.gz FNVFXNOYPKFWPC-SNVBAGLBSA-N -1 3 363.378 0.001 20 50 FCGDHM COCC[C@@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736978133 944923911 /nfs/dbraw/zinc/92/39/11/944923911.db2.gz FNVFXNOYPKFWPC-SNVBAGLBSA-N -1 3 363.378 0.001 20 50 FCGDHM COc1cccc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)nc2)c1O ZINC000737120842 944964415 /nfs/dbraw/zinc/96/44/15/944964415.db2.gz HJACVUVFWQZHNC-UHFFFAOYSA-N -1 3 355.314 0.051 20 50 FCGDHM CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737161899 944972741 /nfs/dbraw/zinc/97/27/41/944972741.db2.gz NLRXNKSORCPXGP-CYBMUJFWSA-N -1 3 362.415 0.940 20 50 FCGDHM CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737161899 944972746 /nfs/dbraw/zinc/97/27/46/944972746.db2.gz NLRXNKSORCPXGP-CYBMUJFWSA-N -1 3 362.415 0.940 20 50 FCGDHM CS(=O)(=O)c1ccccc1NNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000737171888 944974155 /nfs/dbraw/zinc/97/41/55/944974155.db2.gz FMFXCCIJLZASLS-UHFFFAOYSA-N -1 3 359.371 0.422 20 50 FCGDHM CS(=O)(=O)c1ccccc1NNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000737171888 944974159 /nfs/dbraw/zinc/97/41/59/944974159.db2.gz FMFXCCIJLZASLS-UHFFFAOYSA-N -1 3 359.371 0.422 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCS(=O)CC2)cc(-c2nnn[n-]2)n1C ZINC000737211317 944984576 /nfs/dbraw/zinc/98/45/76/944984576.db2.gz BPTVRPVNLHQYQM-GHXNOFRVSA-N -1 3 359.415 0.012 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCS(=O)CC2)cc(-c2nn[n-]n2)n1C ZINC000737211317 944984586 /nfs/dbraw/zinc/98/45/86/944984586.db2.gz BPTVRPVNLHQYQM-GHXNOFRVSA-N -1 3 359.415 0.012 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)CCn2cccn2)cc(-c2nn[n-]n2)n1C ZINC000737211522 944984709 /nfs/dbraw/zinc/98/47/09/944984709.db2.gz CENLDNIGJVQZFL-NTEUORMPSA-N -1 3 365.401 0.776 20 50 FCGDHM Cc1cc(NNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)nc(C)n1 ZINC000737280055 945028942 /nfs/dbraw/zinc/02/89/42/945028942.db2.gz JYBINNPZNKMJSA-UHFFFAOYSA-N -1 3 367.373 0.147 20 50 FCGDHM Cc1cc(NNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)nc(C)n1 ZINC000737280055 945028950 /nfs/dbraw/zinc/02/89/50/945028950.db2.gz JYBINNPZNKMJSA-UHFFFAOYSA-N -1 3 367.373 0.147 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)Cc1ccccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374586 945438703 /nfs/dbraw/zinc/43/87/03/945438703.db2.gz PBFBNDKNZTWVBA-LLVKDONJSA-N -1 3 366.385 0.896 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)Cc1ccccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374586 945438708 /nfs/dbraw/zinc/43/87/08/945438708.db2.gz PBFBNDKNZTWVBA-LLVKDONJSA-N -1 3 366.385 0.896 20 50 FCGDHM C[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC(C)(C)O1 ZINC000820752672 945550506 /nfs/dbraw/zinc/55/05/06/945550506.db2.gz PMPRSDPRVZXJPN-NSHDSACASA-N -1 3 373.417 0.127 20 50 FCGDHM C[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC(C)(C)O1 ZINC000820752672 945550511 /nfs/dbraw/zinc/55/05/11/945550511.db2.gz PMPRSDPRVZXJPN-NSHDSACASA-N -1 3 373.417 0.127 20 50 FCGDHM C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC(C)(C)O1 ZINC000820753622 945553585 /nfs/dbraw/zinc/55/35/85/945553585.db2.gz ZUHOMYKIJJMGMK-LLVKDONJSA-N -1 3 373.417 0.127 20 50 FCGDHM C[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC(C)(C)O1 ZINC000820753622 945553593 /nfs/dbraw/zinc/55/35/93/945553593.db2.gz ZUHOMYKIJJMGMK-LLVKDONJSA-N -1 3 373.417 0.127 20 50 FCGDHM CCC(C)(C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820848163 945569639 /nfs/dbraw/zinc/56/96/39/945569639.db2.gz RZMGZGQGVZOCBR-UHFFFAOYSA-N -1 3 360.374 0.607 20 50 FCGDHM CCC(C)(C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820848163 945569645 /nfs/dbraw/zinc/56/96/45/945569645.db2.gz RZMGZGQGVZOCBR-UHFFFAOYSA-N -1 3 360.374 0.607 20 50 FCGDHM CC[C@@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)N1CCCC1=O ZINC000820843455 945570481 /nfs/dbraw/zinc/57/04/81/945570481.db2.gz ZTSFDAYVQXYHBS-LBPRGKRZSA-N -1 3 357.374 0.029 20 50 FCGDHM CC[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)N1CCCC1=O ZINC000820843455 945570487 /nfs/dbraw/zinc/57/04/87/945570487.db2.gz ZTSFDAYVQXYHBS-LBPRGKRZSA-N -1 3 357.374 0.029 20 50 FCGDHM CCC(CC)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820893318 945584639 /nfs/dbraw/zinc/58/46/39/945584639.db2.gz NEPRTXWXUFCVDZ-UHFFFAOYSA-N -1 3 360.374 0.607 20 50 FCGDHM CCC(CC)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820893318 945584644 /nfs/dbraw/zinc/58/46/44/945584644.db2.gz NEPRTXWXUFCVDZ-UHFFFAOYSA-N -1 3 360.374 0.607 20 50 FCGDHM CCC[C@H](C)CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821014249 945611717 /nfs/dbraw/zinc/61/17/17/945611717.db2.gz CMVCLUCVRJZILI-NSHDSACASA-N -1 3 374.401 0.997 20 50 FCGDHM CCC[C@H](C)CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821014249 945611720 /nfs/dbraw/zinc/61/17/20/945611720.db2.gz CMVCLUCVRJZILI-NSHDSACASA-N -1 3 374.401 0.997 20 50 FCGDHM CCN(CC)C(=O)CCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821175256 945646887 /nfs/dbraw/zinc/64/68/87/945646887.db2.gz JEJBIVSXSKPQHI-UHFFFAOYSA-N -1 3 359.390 0.276 20 50 FCGDHM CCN(CC)C(=O)CCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821175256 945646893 /nfs/dbraw/zinc/64/68/93/945646893.db2.gz JEJBIVSXSKPQHI-UHFFFAOYSA-N -1 3 359.390 0.276 20 50 FCGDHM CCOc1ccccc1OCC(=O)NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000821438213 945695567 /nfs/dbraw/zinc/69/55/67/945695567.db2.gz VTCVFWRZEBNHKY-UHFFFAOYSA-N -1 3 371.357 0.434 20 50 FCGDHM CCOc1ccccc1OCC(=O)NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000821438213 945695573 /nfs/dbraw/zinc/69/55/73/945695573.db2.gz VTCVFWRZEBNHKY-UHFFFAOYSA-N -1 3 371.357 0.434 20 50 FCGDHM CS/C=C/C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821956816 945909039 /nfs/dbraw/zinc/90/90/39/945909039.db2.gz YIKRDTQLZWPSKY-AATRIKPKSA-N -1 3 362.371 0.048 20 50 FCGDHM CS/C=C/C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821956816 945909047 /nfs/dbraw/zinc/90/90/47/945909047.db2.gz YIKRDTQLZWPSKY-AATRIKPKSA-N -1 3 362.371 0.048 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@H](O)C2CC2)cc(-c2nnn[n-]2)n1C ZINC000822020648 945923412 /nfs/dbraw/zinc/92/34/12/945923412.db2.gz GBMLOHXJJQFXLG-OEWWAVFSSA-N -1 3 355.402 0.650 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@H](O)C2CC2)cc(-c2nn[n-]n2)n1C ZINC000822020648 945923424 /nfs/dbraw/zinc/92/34/24/945923424.db2.gz GBMLOHXJJQFXLG-OEWWAVFSSA-N -1 3 355.402 0.650 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)C(=O)NC2CC2)cc(-c2nnn[n-]2)n1C ZINC000822027832 945936035 /nfs/dbraw/zinc/93/60/35/945936035.db2.gz JYALEZAQHMMJBR-GWHHBTOMSA-N -1 3 369.385 0.631 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)C(=O)NC2CC2)cc(-c2nn[n-]n2)n1C ZINC000822027832 945936038 /nfs/dbraw/zinc/93/60/38/945936038.db2.gz JYALEZAQHMMJBR-GWHHBTOMSA-N -1 3 369.385 0.631 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)c2ccco2)cc(-c2nnn[n-]2)n1C ZINC000822027797 945937414 /nfs/dbraw/zinc/93/74/14/945937414.db2.gz JIRCNGKTFCUKBB-NFEOESJKSA-N -1 3 367.369 0.863 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)c2ccco2)cc(-c2nn[n-]n2)n1C ZINC000822027797 945937425 /nfs/dbraw/zinc/93/74/25/945937425.db2.gz JIRCNGKTFCUKBB-NFEOESJKSA-N -1 3 367.369 0.863 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCC[C@@H]2O)cc(-c2nnn[n-]2)n1C ZINC000822028278 945941861 /nfs/dbraw/zinc/94/18/61/945941861.db2.gz MXKMUSQNRYLELD-WHPPYECVSA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCC[C@@H]2O)cc(-c2nn[n-]n2)n1C ZINC000822028278 945941872 /nfs/dbraw/zinc/94/18/72/945941872.db2.gz MXKMUSQNRYLELD-WHPPYECVSA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCC[C@@H]2CCOC2=O)cc(-c2nnn[n-]2)n1C ZINC000822028423 945943498 /nfs/dbraw/zinc/94/34/98/945943498.db2.gz NZLXKKILZPRPSM-DELQEKLWSA-N -1 3 370.369 0.917 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCC[C@@H]2CCOC2=O)cc(-c2nn[n-]n2)n1C ZINC000822028423 945943507 /nfs/dbraw/zinc/94/35/07/945943507.db2.gz NZLXKKILZPRPSM-DELQEKLWSA-N -1 3 370.369 0.917 20 50 FCGDHM Cc1ccc(OCC(=O)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1C ZINC000822263336 946035823 /nfs/dbraw/zinc/03/58/23/946035823.db2.gz MPURVEDJWCOTNQ-UHFFFAOYSA-N -1 3 369.385 0.662 20 50 FCGDHM Cc1ccc(OCC(=O)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1C ZINC000822263336 946035835 /nfs/dbraw/zinc/03/58/35/946035835.db2.gz MPURVEDJWCOTNQ-UHFFFAOYSA-N -1 3 369.385 0.662 20 50 FCGDHM Cc1cccc(OCC(=O)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000822327811 946053800 /nfs/dbraw/zinc/05/38/00/946053800.db2.gz KNGOOBFMVOIUKI-UHFFFAOYSA-N -1 3 355.358 0.354 20 50 FCGDHM Cc1cccc(OCC(=O)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000822327811 946053813 /nfs/dbraw/zinc/05/38/13/946053813.db2.gz KNGOOBFMVOIUKI-UHFFFAOYSA-N -1 3 355.358 0.354 20 50 FCGDHM Cc1nc(C)c(-c2nnn[n-]2)c(SCC(=O)NNC(=O)C(C)(C)C)n1 ZINC000822427632 946089670 /nfs/dbraw/zinc/08/96/70/946089670.db2.gz SAUHPDSRIHJDSW-UHFFFAOYSA-N -1 3 364.435 0.559 20 50 FCGDHM Cc1nc2ccccn2c1C(=O)NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822463021 946098197 /nfs/dbraw/zinc/09/81/97/946098197.db2.gz MMVUHJPCSXICHQ-UHFFFAOYSA-N -1 3 351.330 0.226 20 50 FCGDHM Cc1nc2ccccn2c1C(=O)NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822463021 946098204 /nfs/dbraw/zinc/09/82/04/946098204.db2.gz MMVUHJPCSXICHQ-UHFFFAOYSA-N -1 3 351.330 0.226 20 50 FCGDHM Cn1ccnc(NNC(=O)CSCc2ccc(-c3nnn[n-]3)cc2)c1=O ZINC000822693776 946158365 /nfs/dbraw/zinc/15/83/65/946158365.db2.gz JPUFVMOBBXANPH-UHFFFAOYSA-N -1 3 372.414 0.337 20 50 FCGDHM Cn1ccnc(NNC(=O)CSCc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000822693776 946158371 /nfs/dbraw/zinc/15/83/71/946158371.db2.gz JPUFVMOBBXANPH-UHFFFAOYSA-N -1 3 372.414 0.337 20 50 FCGDHM O=C(COC(=O)C1=CCCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823015016 946268073 /nfs/dbraw/zinc/26/80/73/946268073.db2.gz ZFYMJEHCXNPLDF-UHFFFAOYSA-N -1 3 356.342 0.281 20 50 FCGDHM O=C(COC(=O)C1=CCCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823015016 946268076 /nfs/dbraw/zinc/26/80/76/946268076.db2.gz ZFYMJEHCXNPLDF-UHFFFAOYSA-N -1 3 356.342 0.281 20 50 FCGDHM O=C(COC(=O)[C@@H]1C[C@@H]1C1CC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018496 946272852 /nfs/dbraw/zinc/27/28/52/946272852.db2.gz PJJVQGHSATUZIO-CHWSQXEVSA-N -1 3 370.369 0.217 20 50 FCGDHM O=C(COC(=O)[C@@H]1C[C@@H]1C1CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018496 946272861 /nfs/dbraw/zinc/27/28/61/946272861.db2.gz PJJVQGHSATUZIO-CHWSQXEVSA-N -1 3 370.369 0.217 20 50 FCGDHM O=C(COC(=O)[C@H]1CC=CCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018870 946276272 /nfs/dbraw/zinc/27/62/72/946276272.db2.gz ZILWLAHVJXTVAX-NSHDSACASA-N -1 3 370.369 0.527 20 50 FCGDHM O=C(COC(=O)[C@H]1CC=CCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018870 946276281 /nfs/dbraw/zinc/27/62/81/946276281.db2.gz ZILWLAHVJXTVAX-NSHDSACASA-N -1 3 370.369 0.527 20 50 FCGDHM O=C(COC(=O)c1ccsc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823027182 946280602 /nfs/dbraw/zinc/28/06/02/946280602.db2.gz OZVGIBRRZRGVOY-UHFFFAOYSA-N -1 3 372.366 0.546 20 50 FCGDHM O=C(COC(=O)c1ccsc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823027182 946280609 /nfs/dbraw/zinc/28/06/09/946280609.db2.gz OZVGIBRRZRGVOY-UHFFFAOYSA-N -1 3 372.366 0.546 20 50 FCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NCc1ccccc1 ZINC000823050374 946297148 /nfs/dbraw/zinc/29/71/48/946297148.db2.gz WZXMCNNAEYSEAD-UHFFFAOYSA-N -1 3 367.369 0.776 20 50 FCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NCc1ccccc1 ZINC000823050374 946297158 /nfs/dbraw/zinc/29/71/58/946297158.db2.gz WZXMCNNAEYSEAD-UHFFFAOYSA-N -1 3 367.369 0.776 20 50 FCGDHM O=C(CSc1cnccn1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823070801 946303924 /nfs/dbraw/zinc/30/39/24/946303924.db2.gz OLUWMSRYOCJGAG-UHFFFAOYSA-N -1 3 356.371 0.210 20 50 FCGDHM O=C(CSc1cnccn1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823070801 946303930 /nfs/dbraw/zinc/30/39/30/946303930.db2.gz OLUWMSRYOCJGAG-UHFFFAOYSA-N -1 3 356.371 0.210 20 50 FCGDHM O=C(NCCn1cc([N+](=O)[O-])cn1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823229203 946350985 /nfs/dbraw/zinc/35/09/85/946350985.db2.gz GIRYZLOHQRDDQJ-UHFFFAOYSA-N -1 3 358.322 0.298 20 50 FCGDHM O=C(NCCn1cc([N+](=O)[O-])cn1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823229203 946350994 /nfs/dbraw/zinc/35/09/94/946350994.db2.gz GIRYZLOHQRDDQJ-UHFFFAOYSA-N -1 3 358.322 0.298 20 50 FCGDHM C[C@H]1C[C@H](C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824864546 946956415 /nfs/dbraw/zinc/95/64/15/946956415.db2.gz BZKNZSGBTPHQJT-CMPLNLGQSA-N -1 3 360.374 0.208 20 50 FCGDHM C[C@@H]1C[C@@H](C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824864548 946957469 /nfs/dbraw/zinc/95/74/69/946957469.db2.gz BZKNZSGBTPHQJT-PWSUYJOCSA-N -1 3 360.374 0.208 20 50 FCGDHM C[C@@H]1CC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824907604 946988718 /nfs/dbraw/zinc/98/87/18/946988718.db2.gz JKXKCDRWURTEDE-ZWNOBZJWSA-N -1 3 372.385 0.607 20 50 FCGDHM C[C@@H]1CC[C@@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824907604 946988723 /nfs/dbraw/zinc/98/87/23/946988723.db2.gz JKXKCDRWURTEDE-ZWNOBZJWSA-N -1 3 372.385 0.607 20 50 FCGDHM CO[C@@H]1[C@H](C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1(C)C ZINC000826144040 947451909 /nfs/dbraw/zinc/45/19/09/947451909.db2.gz AHATZYIZMZKZMV-JIMOISOXSA-N -1 3 373.417 0.870 20 50 FCGDHM CO[C@@H]1[C@H](C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1(C)C ZINC000826144040 947451917 /nfs/dbraw/zinc/45/19/17/947451917.db2.gz AHATZYIZMZKZMV-JIMOISOXSA-N -1 3 373.417 0.870 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)CSc1ccccc1O ZINC000826357723 948112922 /nfs/dbraw/zinc/11/29/22/948112922.db2.gz OQELLHCUPKBFNI-UHFFFAOYSA-N -1 3 373.398 0.464 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)CSc1ccccc1O ZINC000826357723 948112927 /nfs/dbraw/zinc/11/29/27/948112927.db2.gz OQELLHCUPKBFNI-UHFFFAOYSA-N -1 3 373.398 0.464 20 50 FCGDHM CC1CCN([C@H](CNC(=O)NNC(=O)C(=O)[O-])c2cccs2)CC1 ZINC001594421782 999570394 /nfs/dbraw/zinc/57/03/94/999570394.db2.gz BKIZOHFINPZFJC-LLVKDONJSA-N -1 3 354.432 0.936 20 50 FCGDHM CCC(=O)N[C@@H](CCSC)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825034397 607335771 /nfs/dbraw/zinc/33/57/71/607335771.db2.gz JMSUQMMGNISRAJ-LBPRGKRZSA-N -1 3 363.447 0.958 20 50 FCGDHM CCC(=O)N[C@@H](CCSC)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825034397 607335773 /nfs/dbraw/zinc/33/57/73/607335773.db2.gz JMSUQMMGNISRAJ-LBPRGKRZSA-N -1 3 363.447 0.958 20 50 FCGDHM NS(=O)(=O)c1ccc(CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826394794 607340788 /nfs/dbraw/zinc/34/07/88/607340788.db2.gz ZOJHOSIPPVVKIZ-UHFFFAOYSA-N -1 3 373.398 0.200 20 50 FCGDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826342433 607349507 /nfs/dbraw/zinc/34/95/07/607349507.db2.gz KDFPUQHTNHTHNR-UHFFFAOYSA-N -1 3 366.341 0.772 20 50 FCGDHM CCC(=O)N[C@@H](CCSC)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825034728 607355096 /nfs/dbraw/zinc/35/50/96/607355096.db2.gz OCGUOSXHEUVEHI-LBPRGKRZSA-N -1 3 363.447 0.958 20 50 FCGDHM CS(=O)(=O)c1ccc(NNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826224112 607357701 /nfs/dbraw/zinc/35/77/01/607357701.db2.gz OVDXIVAPQUFBAB-UHFFFAOYSA-N -1 3 372.410 0.956 20 50 FCGDHM CS(=O)(=O)c1ccc(NNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826224112 607357703 /nfs/dbraw/zinc/35/77/03/607357703.db2.gz OVDXIVAPQUFBAB-UHFFFAOYSA-N -1 3 372.410 0.956 20 50 FCGDHM COC[C@](C)(O)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826148385 607395799 /nfs/dbraw/zinc/39/57/99/607395799.db2.gz HGHCJBJBCTZRNM-LBPRGKRZSA-N -1 3 360.296 0.726 20 50 FCGDHM COC[C@](C)(O)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826148385 607395800 /nfs/dbraw/zinc/39/58/00/607395800.db2.gz HGHCJBJBCTZRNM-LBPRGKRZSA-N -1 3 360.296 0.726 20 50 FCGDHM Cc1ccc(C(=O)NNC(=O)CN(CCC(=O)[O-])C2CCOCC2)cc1 ZINC000832912204 601049143 /nfs/dbraw/zinc/04/91/43/601049143.db2.gz XNDPTICUDQIWLT-UHFFFAOYSA-N -1 3 363.414 0.712 20 50 FCGDHM O=C(NNC(=O)[C@H]1OCCc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444870 607558891 /nfs/dbraw/zinc/55/88/91/607558891.db2.gz XXZIGYSRWUFUED-HNNXBMFYSA-N -1 3 364.365 0.942 20 50 FCGDHM O=C(NNC(=O)[C@H]1OCCc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444870 607558892 /nfs/dbraw/zinc/55/88/92/607558892.db2.gz XXZIGYSRWUFUED-HNNXBMFYSA-N -1 3 364.365 0.942 20 50 FCGDHM Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2C)n1 ZINC000826264871 607650654 /nfs/dbraw/zinc/65/06/54/607650654.db2.gz DBSCPMQNSITGQK-UHFFFAOYSA-N -1 3 354.374 0.450 20 50 FCGDHM Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2C)n1 ZINC000826264871 607650655 /nfs/dbraw/zinc/65/06/55/607650655.db2.gz DBSCPMQNSITGQK-UHFFFAOYSA-N -1 3 354.374 0.450 20 50 FCGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000826249578 607676894 /nfs/dbraw/zinc/67/68/94/607676894.db2.gz JPKNKFHAWOJIDX-HNNXBMFYSA-N -1 3 364.365 0.940 20 50 FCGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000826249578 607676896 /nfs/dbraw/zinc/67/68/96/607676896.db2.gz JPKNKFHAWOJIDX-HNNXBMFYSA-N -1 3 364.365 0.940 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCc2n[nH]cc2C1 ZINC000823277865 607052054 /nfs/dbraw/zinc/05/20/54/607052054.db2.gz ZTKMNQVXVZFBEW-LBPRGKRZSA-N -1 3 367.373 0.091 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCCc2c[nH]nc21 ZINC000823277536 607052392 /nfs/dbraw/zinc/05/23/92/607052392.db2.gz PCMWKRPITJTTRK-GFCCVEGCSA-N -1 3 367.373 0.611 20 50 FCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=Cc1cnc2ncccn12 ZINC000826419358 607883136 /nfs/dbraw/zinc/88/31/36/607883136.db2.gz UDGLWEKKMYVMAW-UHFFFAOYSA-N -1 3 363.341 0.439 20 50 FCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=Cc1cnc2ncccn12 ZINC000826419358 607883137 /nfs/dbraw/zinc/88/31/37/607883137.db2.gz UDGLWEKKMYVMAW-UHFFFAOYSA-N -1 3 363.341 0.439 20 50 FCGDHM CCCCS(=O)(=O)NCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825296560 608074535 /nfs/dbraw/zinc/07/45/35/608074535.db2.gz OIMRVMIUYNFTCJ-UHFFFAOYSA-N -1 3 353.408 0.029 20 50 FCGDHM CCCCS(=O)(=O)NCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825296560 608074536 /nfs/dbraw/zinc/07/45/36/608074536.db2.gz OIMRVMIUYNFTCJ-UHFFFAOYSA-N -1 3 353.408 0.029 20 50 FCGDHM COc1ccc(CCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1 ZINC000826191689 608119747 /nfs/dbraw/zinc/11/97/47/608119747.db2.gz NCTRXPLSCKVPQN-UHFFFAOYSA-N -1 3 355.358 0.597 20 50 FCGDHM COc1ccc(CCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1 ZINC000826191689 608119748 /nfs/dbraw/zinc/11/97/48/608119748.db2.gz NCTRXPLSCKVPQN-UHFFFAOYSA-N -1 3 355.358 0.597 20 50 FCGDHM COc1cccc(NNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)n1 ZINC000826216783 608141934 /nfs/dbraw/zinc/14/19/34/608141934.db2.gz NCSSPYBBMRIBEF-UHFFFAOYSA-N -1 3 354.330 0.352 20 50 FCGDHM COc1cccc(NNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)n1 ZINC000826216783 608141935 /nfs/dbraw/zinc/14/19/35/608141935.db2.gz NCSSPYBBMRIBEF-UHFFFAOYSA-N -1 3 354.330 0.352 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000826448424 608205464 /nfs/dbraw/zinc/20/54/64/608205464.db2.gz UZBFRNMKJNNYMO-BBRMVZONSA-N -1 3 359.390 0.831 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000826448424 608205465 /nfs/dbraw/zinc/20/54/65/608205465.db2.gz UZBFRNMKJNNYMO-BBRMVZONSA-N -1 3 359.390 0.831 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2cccc(=O)[nH]2)cc(-c2nnn[n-]2)n1C ZINC000826235938 608213940 /nfs/dbraw/zinc/21/39/40/608213940.db2.gz VAEWWJMCTSBDIP-SDQBBNPISA-N -1 3 364.369 0.838 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2cccc(=O)[nH]2)cc(-c2nn[n-]n2)n1C ZINC000826235938 608213941 /nfs/dbraw/zinc/21/39/41/608213941.db2.gz VAEWWJMCTSBDIP-SDQBBNPISA-N -1 3 364.369 0.838 20 50 FCGDHM C=CC[C@@H](CO)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000823888881 608561512 /nfs/dbraw/zinc/56/15/12/608561512.db2.gz ZKZIZRKEYYIOOL-KXQKXUNCSA-N -1 3 355.402 0.721 20 50 FCGDHM C=CC[C@@H](CO)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000823888881 608561513 /nfs/dbraw/zinc/56/15/13/608561513.db2.gz ZKZIZRKEYYIOOL-KXQKXUNCSA-N -1 3 355.402 0.721 20 50 FCGDHM CC1(C)OCC(C)(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CO1 ZINC000824812680 608568406 /nfs/dbraw/zinc/56/84/06/608568406.db2.gz OFAZVKRDAUSNNY-UHFFFAOYSA-N -1 3 360.374 0.417 20 50 FCGDHM CC1(C)OCC(C)(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CO1 ZINC000824812680 608568409 /nfs/dbraw/zinc/56/84/09/608568409.db2.gz OFAZVKRDAUSNNY-UHFFFAOYSA-N -1 3 360.374 0.417 20 50 FCGDHM CC(C)[C@H](O)C1(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824199674 608589797 /nfs/dbraw/zinc/58/97/97/608589797.db2.gz LAQSPWCWILCOPC-ZDUSSCGKSA-N -1 3 373.417 0.608 20 50 FCGDHM CC(C)[C@H](O)C1(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824199674 608589799 /nfs/dbraw/zinc/58/97/99/608589799.db2.gz LAQSPWCWILCOPC-ZDUSSCGKSA-N -1 3 373.417 0.608 20 50 FCGDHM O=C(NNc1ccccc1[N+](=O)[O-])[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826449175 609182571 /nfs/dbraw/zinc/18/25/71/609182571.db2.gz FMSLZPUTCWVTQK-ZDUSSCGKSA-N -1 3 355.314 0.952 20 50 FCGDHM O=C(NNc1ccccc1[N+](=O)[O-])[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826449175 609182573 /nfs/dbraw/zinc/18/25/73/609182573.db2.gz FMSLZPUTCWVTQK-ZDUSSCGKSA-N -1 3 355.314 0.952 20 50 FCGDHM Cc1nnc(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)s1 ZINC000826335390 609265808 /nfs/dbraw/zinc/26/58/08/609265808.db2.gz KVIBTWLKSCQGJY-NYYWCZLTSA-N -1 3 369.414 0.897 20 50 FCGDHM Cc1nnc(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)s1 ZINC000826335390 609265810 /nfs/dbraw/zinc/26/58/10/609265810.db2.gz KVIBTWLKSCQGJY-NYYWCZLTSA-N -1 3 369.414 0.897 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2nccc(N)n2)cc(-c2nnn[n-]2)n1C ZINC000826235254 609295259 /nfs/dbraw/zinc/29/52/59/609295259.db2.gz GHGUOFNBNBJFDM-VZUCSPMQSA-N -1 3 364.373 0.109 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2nccc(N)n2)cc(-c2nn[n-]n2)n1C ZINC000826235254 609295260 /nfs/dbraw/zinc/29/52/60/609295260.db2.gz GHGUOFNBNBJFDM-VZUCSPMQSA-N -1 3 364.373 0.109 20 50 FCGDHM C[C@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1F ZINC000824953220 609373224 /nfs/dbraw/zinc/37/32/24/609373224.db2.gz CRQRDGUIMMAYCP-GXFFZTMASA-N -1 3 361.381 0.308 20 50 FCGDHM C[C@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1F ZINC000824953220 609373227 /nfs/dbraw/zinc/37/32/27/609373227.db2.gz CRQRDGUIMMAYCP-GXFFZTMASA-N -1 3 361.381 0.308 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC(=O)NCC2CC2)cc(-c2nnn[n-]2)n1C ZINC000826235050 609403245 /nfs/dbraw/zinc/40/32/45/609403245.db2.gz ANSPKJBTYWZGEC-ACAGNQJTSA-N -1 3 368.401 0.063 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC(=O)NCC2CC2)cc(-c2nn[n-]n2)n1C ZINC000826235050 609403248 /nfs/dbraw/zinc/40/32/48/609403248.db2.gz ANSPKJBTYWZGEC-ACAGNQJTSA-N -1 3 368.401 0.063 20 50 FCGDHM CCOc1ccccc1OCC(=O)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000825658766 609408085 /nfs/dbraw/zinc/40/80/85/609408085.db2.gz KBTQNGNCXUKVMT-UHFFFAOYSA-N -1 3 371.357 0.434 20 50 FCGDHM CCOc1ccccc1OCC(=O)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000825658766 609408087 /nfs/dbraw/zinc/40/80/87/609408087.db2.gz KBTQNGNCXUKVMT-UHFFFAOYSA-N -1 3 371.357 0.434 20 50 FCGDHM COc1ccc(C(=O)NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1OC ZINC000826187467 609408520 /nfs/dbraw/zinc/40/85/20/609408520.db2.gz RJBXDSMLEHFCSI-UHFFFAOYSA-N -1 3 357.330 0.287 20 50 FCGDHM COc1ccc(C(=O)NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1OC ZINC000826187467 609408522 /nfs/dbraw/zinc/40/85/22/609408522.db2.gz RJBXDSMLEHFCSI-UHFFFAOYSA-N -1 3 357.330 0.287 20 50 FCGDHM O=C(NNC(=O)c1cc(Br)c[nH]1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826445262 609417751 /nfs/dbraw/zinc/41/77/51/609417751.db2.gz MQTLEKCEPNXEKK-UHFFFAOYSA-N -1 3 365.151 0.360 20 50 FCGDHM O=C(NNC(=O)c1cc(Br)c[nH]1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826445262 609417752 /nfs/dbraw/zinc/41/77/52/609417752.db2.gz MQTLEKCEPNXEKK-UHFFFAOYSA-N -1 3 365.151 0.360 20 50 FCGDHM Cc1n[nH]c(C)c1CCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737454083 945072546 /nfs/dbraw/zinc/07/25/46/945072546.db2.gz XTTIMRMRYYNJSX-UHFFFAOYSA-N -1 3 354.374 0.600 20 50 FCGDHM Cc1n[nH]c(C)c1CCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737454083 945072549 /nfs/dbraw/zinc/07/25/49/945072549.db2.gz XTTIMRMRYYNJSX-UHFFFAOYSA-N -1 3 354.374 0.600 20 50 FCGDHM Cc1nn(C)c(C)c1CCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737511866 945087009 /nfs/dbraw/zinc/08/70/09/945087009.db2.gz VFRVXIPSGXCAJD-UHFFFAOYSA-N -1 3 368.401 0.611 20 50 FCGDHM Cc1nn(C)c(C)c1CCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737511866 945087016 /nfs/dbraw/zinc/08/70/16/945087016.db2.gz VFRVXIPSGXCAJD-UHFFFAOYSA-N -1 3 368.401 0.611 20 50 FCGDHM Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737509227 945087656 /nfs/dbraw/zinc/08/76/56/945087656.db2.gz MTFPFSHKDSNZAB-SECBINFHSA-N -1 3 368.401 0.782 20 50 FCGDHM Cc1nn(C)c(C)c1[C@@H](C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737509227 945087667 /nfs/dbraw/zinc/08/76/67/945087667.db2.gz MTFPFSHKDSNZAB-SECBINFHSA-N -1 3 368.401 0.782 20 50 FCGDHM N#Cc1cccc(C(=O)NNC(=O)COc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737723115 945116308 /nfs/dbraw/zinc/11/63/08/945116308.db2.gz PXSTYQHQBTUOMY-UHFFFAOYSA-N -1 3 363.337 0.578 20 50 FCGDHM N#Cc1cccc(C(=O)NNC(=O)COc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737723115 945116311 /nfs/dbraw/zinc/11/63/11/945116311.db2.gz PXSTYQHQBTUOMY-UHFFFAOYSA-N -1 3 363.337 0.578 20 50 FCGDHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NNc2ncccn2)cc1 ZINC000737778440 945124238 /nfs/dbraw/zinc/12/42/38/945124238.db2.gz YXIDEGKELXKOON-UHFFFAOYSA-N -1 3 363.345 0.182 20 50 FCGDHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NNc2ncccn2)cc1 ZINC000737778440 945124246 /nfs/dbraw/zinc/12/42/46/945124246.db2.gz YXIDEGKELXKOON-UHFFFAOYSA-N -1 3 363.345 0.182 20 50 FCGDHM O=C(C=Cc1cncc(F)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737810618 945129311 /nfs/dbraw/zinc/12/93/11/945129311.db2.gz ZYUSBWTYBYDZBR-PLNGDYQASA-N -1 3 353.317 0.875 20 50 FCGDHM O=C(C=Cc1cncc(F)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737810618 945129314 /nfs/dbraw/zinc/12/93/14/945129314.db2.gz ZYUSBWTYBYDZBR-PLNGDYQASA-N -1 3 353.317 0.875 20 50 FCGDHM O=C(CCc1cscn1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737860653 945141013 /nfs/dbraw/zinc/14/10/13/945141013.db2.gz MGNYWZHISZJHSQ-UHFFFAOYSA-N -1 3 373.398 0.482 20 50 FCGDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1ccccn1 ZINC000737895355 945148736 /nfs/dbraw/zinc/14/87/36/945148736.db2.gz OXPVKAPOLPAOFK-UHFFFAOYSA-N -1 3 352.358 0.064 20 50 FCGDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NNC(=O)N1CCOCC1 ZINC000737940617 945161486 /nfs/dbraw/zinc/16/14/86/945161486.db2.gz HDJKISBASHASFB-UHFFFAOYSA-N -1 3 363.403 0.032 20 50 FCGDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NNC(=O)N1CCOCC1 ZINC000737940617 945161488 /nfs/dbraw/zinc/16/14/88/945161488.db2.gz HDJKISBASHASFB-UHFFFAOYSA-N -1 3 363.403 0.032 20 50 FCGDHM O=C(NNC(=O)[C@H]1COc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000738130325 945208552 /nfs/dbraw/zinc/20/85/52/945208552.db2.gz PTIQMHLUPVGDQT-ZDUSSCGKSA-N -1 3 350.338 0.804 20 50 FCGDHM O=C(NNC(=O)[C@H]1COc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000738130325 945208558 /nfs/dbraw/zinc/20/85/58/945208558.db2.gz PTIQMHLUPVGDQT-ZDUSSCGKSA-N -1 3 350.338 0.804 20 50 FCGDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)c1ccncc1 ZINC000820001631 945326155 /nfs/dbraw/zinc/32/61/55/945326155.db2.gz VUNDDNACQBLUGI-UHFFFAOYSA-N -1 3 367.369 0.880 20 50 FCGDHM CC(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820046822 945337841 /nfs/dbraw/zinc/33/78/41/945337841.db2.gz UZUHUJXZVQGNKT-KGLIPLIRSA-N -1 3 373.417 0.872 20 50 FCGDHM CC(C)[C@@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820046822 945337851 /nfs/dbraw/zinc/33/78/51/945337851.db2.gz UZUHUJXZVQGNKT-KGLIPLIRSA-N -1 3 373.417 0.872 20 50 FCGDHM C=c1[nH]c(=O)[nH]c(=O)c1=C(C)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735449091 944657268 /nfs/dbraw/zinc/65/72/68/944657268.db2.gz VMIFGQPOQUTXHQ-UHFFFAOYSA-N -1 3 354.330 0.530 20 50 FCGDHM CC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735484496 944666106 /nfs/dbraw/zinc/66/61/06/944666106.db2.gz NNXYQMHTZNROQR-UHFFFAOYSA-N -1 3 365.353 0.900 20 50 FCGDHM CC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735484496 944666112 /nfs/dbraw/zinc/66/61/12/944666112.db2.gz NNXYQMHTZNROQR-UHFFFAOYSA-N -1 3 365.353 0.900 20 50 FCGDHM CC(C)(C)CC(=O)NCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735593671 944676751 /nfs/dbraw/zinc/67/67/51/944676751.db2.gz MFPGDQYTYBSTII-UHFFFAOYSA-N -1 3 359.390 0.180 20 50 FCGDHM CC(C)(C)CC(=O)NCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735593671 944676756 /nfs/dbraw/zinc/67/67/56/944676756.db2.gz MFPGDQYTYBSTII-UHFFFAOYSA-N -1 3 359.390 0.180 20 50 FCGDHM CC(C)(C)C(=O)NNC(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000735588763 944676903 /nfs/dbraw/zinc/67/69/03/944676903.db2.gz GRHWTLALVWXMPP-UHFFFAOYSA-N -1 3 369.389 0.442 20 50 FCGDHM CC(C)(C)C(=O)NNC(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735588763 944676910 /nfs/dbraw/zinc/67/69/10/944676910.db2.gz GRHWTLALVWXMPP-UHFFFAOYSA-N -1 3 369.389 0.442 20 50 FCGDHM CC(C)NC(=O)NNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735888800 944711507 /nfs/dbraw/zinc/71/15/07/944711507.db2.gz RGPKYCAFPSCIJI-ZDUSSCGKSA-N -1 3 358.406 0.574 20 50 FCGDHM C[C@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1nnc2n1CCC2 ZINC000736119198 944742641 /nfs/dbraw/zinc/74/26/41/944742641.db2.gz RLXKAVSSTIPZHL-VIFPVBQESA-N -1 3 354.378 0.792 20 50 FCGDHM C[C@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1nnc2n1CCC2 ZINC000736119198 944742648 /nfs/dbraw/zinc/74/26/48/944742648.db2.gz RLXKAVSSTIPZHL-VIFPVBQESA-N -1 3 354.378 0.792 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)Cc1cccnc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736119703 944743836 /nfs/dbraw/zinc/74/38/36/944743836.db2.gz UCKMTUXSCFZGDM-LLVKDONJSA-N -1 3 366.385 0.896 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)Cc1cccnc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736119703 944743841 /nfs/dbraw/zinc/74/38/41/944743841.db2.gz UCKMTUXSCFZGDM-LLVKDONJSA-N -1 3 366.385 0.896 20 50 FCGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@@H]1CCCOC1 ZINC000736169405 944750829 /nfs/dbraw/zinc/75/08/29/944750829.db2.gz NESSREZUOCXZPQ-ZYHUDNBSSA-N -1 3 360.374 0.208 20 50 FCGDHM CCC(CC)NC(=O)C(=O)NNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000736345915 944805084 /nfs/dbraw/zinc/80/50/84/944805084.db2.gz OJBLOAOHQXIWDZ-UHFFFAOYSA-N -1 3 360.378 0.324 20 50 FCGDHM CCC(CC)NC(=O)C(=O)NNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000736345915 944805094 /nfs/dbraw/zinc/80/50/94/944805094.db2.gz OJBLOAOHQXIWDZ-UHFFFAOYSA-N -1 3 360.378 0.324 20 50 FCGDHM CCc1cc(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)on1 ZINC000736673895 944866492 /nfs/dbraw/zinc/86/64/92/944866492.db2.gz CJUPMBQROGIEKK-UHFFFAOYSA-N -1 3 356.346 0.561 20 50 FCGDHM CCc1cc(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)on1 ZINC000736673895 944866501 /nfs/dbraw/zinc/86/65/01/944866501.db2.gz CJUPMBQROGIEKK-UHFFFAOYSA-N -1 3 356.346 0.561 20 50 FCGDHM CN(C)C(=O)[C@H](NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736746855 944880665 /nfs/dbraw/zinc/88/06/65/944880665.db2.gz OTLDRBBAKFREJQ-OAHLLOKOSA-N -1 3 365.397 0.931 20 50 FCGDHM CN(C)C(=O)[C@H](NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736746855 944880669 /nfs/dbraw/zinc/88/06/69/944880669.db2.gz OTLDRBBAKFREJQ-OAHLLOKOSA-N -1 3 365.397 0.931 20 50 FCGDHM COC(=O)[C@H](C)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736891792 944905371 /nfs/dbraw/zinc/90/53/71/944905371.db2.gz LSHHVDUFJKQURJ-JOZRWXFHSA-N -1 3 357.374 0.346 20 50 FCGDHM COC(=O)[C@H](C)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736891792 944905375 /nfs/dbraw/zinc/90/53/75/944905375.db2.gz LSHHVDUFJKQURJ-JOZRWXFHSA-N -1 3 357.374 0.346 20 50 FCGDHM COc1cccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1OC ZINC000737123005 944964132 /nfs/dbraw/zinc/96/41/32/944964132.db2.gz ZNXQHMINNDKIES-UHFFFAOYSA-N -1 3 368.353 0.959 20 50 FCGDHM CSCCCCC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737181849 944978998 /nfs/dbraw/zinc/97/89/98/944978998.db2.gz KJXRFYHNEDCAEK-UHFFFAOYSA-N -1 3 364.431 0.926 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCn2cccn2)cc(-c2nn[n-]n2)n1C ZINC000737211840 944989245 /nfs/dbraw/zinc/98/92/45/944989245.db2.gz GDDWGQNMGFDITJ-MDWZMJQESA-N -1 3 351.374 0.434 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)Cc2ncc[nH]2)cc(-c2nn[n-]n2)n1C ZINC000737213054 944999320 /nfs/dbraw/zinc/99/93/20/944999320.db2.gz QAFQLEIMGGTRIC-WUXMJOGZSA-N -1 3 351.374 0.802 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCC(=O)N(C)C2)cc(-c2nnn[n-]2)n1C ZINC000737213998 945011023 /nfs/dbraw/zinc/01/10/23/945011023.db2.gz ZLWNETDZWCYKON-TZQNSNDFSA-N -1 3 368.401 0.158 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CCC(=O)N(C)C2)cc(-c2nn[n-]n2)n1C ZINC000737213998 945011034 /nfs/dbraw/zinc/01/10/34/945011034.db2.gz ZLWNETDZWCYKON-TZQNSNDFSA-N -1 3 368.401 0.158 20 50 FCGDHM Cc1cc(C(=O)NN[C@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c(C)o1 ZINC000737236876 945018187 /nfs/dbraw/zinc/01/81/87/945018187.db2.gz TUTALIRYXZNQKA-ZDUSSCGKSA-N -1 3 355.358 0.538 20 50 FCGDHM Cc1cc(C(=O)NN[C@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c(C)o1 ZINC000737236876 945018197 /nfs/dbraw/zinc/01/81/97/945018197.db2.gz TUTALIRYXZNQKA-ZDUSSCGKSA-N -1 3 355.358 0.538 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cnn(C)c1 ZINC000820372929 945435164 /nfs/dbraw/zinc/43/51/64/945435164.db2.gz DKNIQRUXBJNQBT-SECBINFHSA-N -1 3 355.362 0.305 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cnn(C)c1 ZINC000820372929 945435169 /nfs/dbraw/zinc/43/51/69/945435169.db2.gz DKNIQRUXBJNQBT-SECBINFHSA-N -1 3 355.362 0.305 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)Cc1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374563 945440038 /nfs/dbraw/zinc/44/00/38/945440038.db2.gz OTZSXHRNKNSRKV-NSHDSACASA-N -1 3 366.385 0.896 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)Cc1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374563 945440045 /nfs/dbraw/zinc/44/00/45/945440045.db2.gz OTZSXHRNKNSRKV-NSHDSACASA-N -1 3 366.385 0.896 20 50 FCGDHM C[C@](O)(CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000820467474 945457780 /nfs/dbraw/zinc/45/77/80/945457780.db2.gz HZVYQOYBUGVDRK-INIZCTEOSA-N -1 3 371.357 0.311 20 50 FCGDHM C[C@](O)(CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000820467474 945457787 /nfs/dbraw/zinc/45/77/87/945457787.db2.gz HZVYQOYBUGVDRK-INIZCTEOSA-N -1 3 371.357 0.311 20 50 FCGDHM C[C@@H](SCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)[C@H](C)O ZINC000820467870 945459333 /nfs/dbraw/zinc/45/93/33/945459333.db2.gz NRAPPXNUTFGQAV-DTWKUNHWSA-N -1 3 350.404 0.130 20 50 FCGDHM C[C@@H](SCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@H](C)O ZINC000820467870 945459339 /nfs/dbraw/zinc/45/93/39/945459339.db2.gz NRAPPXNUTFGQAV-DTWKUNHWSA-N -1 3 350.404 0.130 20 50 FCGDHM C[C@](O)(CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000820467918 945460603 /nfs/dbraw/zinc/46/06/03/945460603.db2.gz OTXNUBOBDPZMRV-INIZCTEOSA-N -1 3 371.357 0.311 20 50 FCGDHM C[C@](O)(CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000820467918 945460609 /nfs/dbraw/zinc/46/06/09/945460609.db2.gz OTXNUBOBDPZMRV-INIZCTEOSA-N -1 3 371.357 0.311 20 50 FCGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@@H]1CCCCO1 ZINC000820529152 945474197 /nfs/dbraw/zinc/47/41/97/945474197.db2.gz PIWQJPWVHBBFHO-MFKMUULPSA-N -1 3 360.374 0.351 20 50 FCGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@@]1(C)CCCO1 ZINC000820528252 945474284 /nfs/dbraw/zinc/47/42/84/945474284.db2.gz MYUKNZFEDOWHQN-QLJPJBMISA-N -1 3 360.374 0.351 20 50 FCGDHM CC1(C)CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCCO1 ZINC000820601119 945496153 /nfs/dbraw/zinc/49/61/53/945496153.db2.gz CCIIEDJVHMGDMC-UHFFFAOYSA-N -1 3 373.417 0.129 20 50 FCGDHM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000820678507 945520933 /nfs/dbraw/zinc/52/09/33/945520933.db2.gz VRTFSOBDMNJELM-ICCXJUOJSA-N -1 3 356.390 0.502 20 50 FCGDHM C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000820678507 945520941 /nfs/dbraw/zinc/52/09/41/945520941.db2.gz VRTFSOBDMNJELM-ICCXJUOJSA-N -1 3 356.390 0.502 20 50 FCGDHM CC=CC=CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820832702 945565330 /nfs/dbraw/zinc/56/53/30/945565330.db2.gz MYDZBBIKOGJZKQ-HOJFPOIOSA-N -1 3 356.342 0.303 20 50 FCGDHM CC=CC=CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820832702 945565338 /nfs/dbraw/zinc/56/53/38/945565338.db2.gz MYDZBBIKOGJZKQ-HOJFPOIOSA-N -1 3 356.342 0.303 20 50 FCGDHM CCO[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821368075 945684743 /nfs/dbraw/zinc/68/47/43/945684743.db2.gz QVBZKOGQDAJWHO-AWEZNQCLSA-N -1 3 373.417 0.129 20 50 FCGDHM CCO[C@H]1CCCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821368075 945684747 /nfs/dbraw/zinc/68/47/47/945684747.db2.gz QVBZKOGQDAJWHO-AWEZNQCLSA-N -1 3 373.417 0.129 20 50 FCGDHM CCc1noc(CC)c1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821555048 945713750 /nfs/dbraw/zinc/71/37/50/945713750.db2.gz ZZYZFRUIOISREX-UHFFFAOYSA-N -1 3 369.385 0.983 20 50 FCGDHM CCc1noc(CC)c1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821555048 945713755 /nfs/dbraw/zinc/71/37/55/945713755.db2.gz ZZYZFRUIOISREX-UHFFFAOYSA-N -1 3 369.385 0.983 20 50 FCGDHM CN(C)c1ncc(CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)n1C ZINC000821590902 945730675 /nfs/dbraw/zinc/73/06/75/945730675.db2.gz LAJHTWAOIXWNAL-UHFFFAOYSA-N -1 3 356.394 0.493 20 50 FCGDHM CO[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1(C)C ZINC000821677926 945795052 /nfs/dbraw/zinc/79/50/52/945795052.db2.gz GVPQRSIHCRGVMF-NWDGAFQWSA-N -1 3 359.390 0.624 20 50 FCGDHM CO[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1(C)C ZINC000821677926 945795059 /nfs/dbraw/zinc/79/50/59/945795059.db2.gz GVPQRSIHCRGVMF-NWDGAFQWSA-N -1 3 359.390 0.624 20 50 FCGDHM COCCO[C@@H](C)C(=O)NNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000821691900 945822523 /nfs/dbraw/zinc/82/25/23/945822523.db2.gz JGZOFOQXRZEJFM-VIFPVBQESA-N -1 3 365.419 0.236 20 50 FCGDHM COCCO[C@@H](C)C(=O)NNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000821691900 945822538 /nfs/dbraw/zinc/82/25/38/945822538.db2.gz JGZOFOQXRZEJFM-VIFPVBQESA-N -1 3 365.419 0.236 20 50 FCGDHM COCCOC1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000821692453 945823591 /nfs/dbraw/zinc/82/35/91/945823591.db2.gz YARTYYRJFAPUMU-MLPAPPSSSA-N -1 3 371.401 0.294 20 50 FCGDHM COCCOC1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000821692453 945823608 /nfs/dbraw/zinc/82/36/08/945823608.db2.gz YARTYYRJFAPUMU-MLPAPPSSSA-N -1 3 371.401 0.294 20 50 FCGDHM COCCn1cc(C=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000821695324 945825456 /nfs/dbraw/zinc/82/54/56/945825456.db2.gz SFOVRCDBJKDCLU-UHFFFAOYSA-N -1 3 370.373 0.239 20 50 FCGDHM COc1ccccc1OCC(=O)NNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821903212 945901306 /nfs/dbraw/zinc/90/13/06/945901306.db2.gz DGTZOJSUEVIKLB-UHFFFAOYSA-N -1 3 371.357 0.054 20 50 FCGDHM COc1ccccc1OCC(=O)NNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821903212 945901313 /nfs/dbraw/zinc/90/13/13/945901313.db2.gz DGTZOJSUEVIKLB-UHFFFAOYSA-N -1 3 371.357 0.054 20 50 FCGDHM Cc1nc[nH]c1CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000822010344 945919439 /nfs/dbraw/zinc/91/94/39/945919439.db2.gz YVNPJGJOFMWQGD-UUILKARUSA-N -1 3 351.374 0.769 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000822020696 945923611 /nfs/dbraw/zinc/92/36/11/945923611.db2.gz HDNDFVDLTVLQRY-CHJAJTDHSA-N -1 3 355.402 0.916 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000822020696 945923622 /nfs/dbraw/zinc/92/36/22/945923622.db2.gz HDNDFVDLTVLQRY-CHJAJTDHSA-N -1 3 355.402 0.916 20 50 FCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000822227614 946009463 /nfs/dbraw/zinc/00/94/63/946009463.db2.gz PFHDJWNZXVTAEE-UHFFFAOYSA-N -1 3 370.325 0.386 20 50 FCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000822227614 946009468 /nfs/dbraw/zinc/00/94/68/946009468.db2.gz PFHDJWNZXVTAEE-UHFFFAOYSA-N -1 3 370.325 0.386 20 50 FCGDHM Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000822232288 946014435 /nfs/dbraw/zinc/01/44/35/946014435.db2.gz ZSJCUUAZPTXFOB-UHFFFAOYSA-N -1 3 369.385 0.662 20 50 FCGDHM Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000822232288 946014453 /nfs/dbraw/zinc/01/44/53/946014453.db2.gz ZSJCUUAZPTXFOB-UHFFFAOYSA-N -1 3 369.385 0.662 20 50 FCGDHM Cc1nn(C)c(C)c1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822492141 946105233 /nfs/dbraw/zinc/10/52/33/946105233.db2.gz RVIWBRDMQKZFBT-UHFFFAOYSA-N -1 3 369.389 0.361 20 50 FCGDHM Cc1nn(C)c(C)c1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822492141 946105236 /nfs/dbraw/zinc/10/52/36/946105236.db2.gz RVIWBRDMQKZFBT-UHFFFAOYSA-N -1 3 369.389 0.361 20 50 FCGDHM O=C(C#Cc1ccccc1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822912404 946218192 /nfs/dbraw/zinc/21/81/92/946218192.db2.gz YRUBSWZMFOALDN-UHFFFAOYSA-N -1 3 362.349 0.445 20 50 FCGDHM O=C(COC(=O)c1ccccc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823027553 946284132 /nfs/dbraw/zinc/28/41/32/946284132.db2.gz WSYFGCCZVQXZOY-UHFFFAOYSA-N -1 3 366.337 0.485 20 50 FCGDHM O=C(COC(=O)c1ccccc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823027553 946284140 /nfs/dbraw/zinc/28/41/40/946284140.db2.gz WSYFGCCZVQXZOY-UHFFFAOYSA-N -1 3 366.337 0.485 20 50 FCGDHM O=C(COc1ccc(F)cc1)NNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823040604 946289144 /nfs/dbraw/zinc/28/91/44/946289144.db2.gz ONULMQWBXFEOGF-UHFFFAOYSA-N -1 3 370.344 0.775 20 50 FCGDHM O=C(COc1ccc(F)cc1)NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823040604 946289155 /nfs/dbraw/zinc/28/91/55/946289155.db2.gz ONULMQWBXFEOGF-UHFFFAOYSA-N -1 3 370.344 0.775 20 50 FCGDHM O=C(NCc1ccc(F)cn1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823252939 946358060 /nfs/dbraw/zinc/35/80/60/946358060.db2.gz ATZUYHACCTVHLD-UHFFFAOYSA-N -1 3 356.321 0.545 20 50 FCGDHM O=C(NCc1ccc(F)cn1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823252939 946358072 /nfs/dbraw/zinc/35/80/72/946358072.db2.gz ATZUYHACCTVHLD-UHFFFAOYSA-N -1 3 356.321 0.545 20 50 FCGDHM O=C(NNC(=O)[C@@H]1CCCc2n[nH]cc21)c1cccc(-c2nn[n-]n2)c1 ZINC000823273575 946386824 /nfs/dbraw/zinc/38/68/24/946386824.db2.gz RCLAWXPHOMNXGQ-LLVKDONJSA-N -1 3 352.358 0.471 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H]1CCC(F)(F)C1 ZINC000823277310 946399177 /nfs/dbraw/zinc/39/91/77/946399177.db2.gz JZVYKMRIFKVFIQ-JTQLQIEISA-N -1 3 351.317 0.999 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H]1CCC(F)(F)C1 ZINC000823277310 946399182 /nfs/dbraw/zinc/39/91/82/946399182.db2.gz JZVYKMRIFKVFIQ-JTQLQIEISA-N -1 3 351.317 0.999 20 50 FCGDHM O=C(COC(=O)[C@H]1[C@@H]2CCC[C@@H]21)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826414882 948255117 /nfs/dbraw/zinc/25/51/17/948255117.db2.gz KWSMMDBOABAJQN-IMRBUKKESA-N -1 3 370.369 0.217 20 50 FCGDHM O=C(COC(=O)[C@H]1[C@@H]2CCC[C@@H]21)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826414882 948255125 /nfs/dbraw/zinc/25/51/25/948255125.db2.gz KWSMMDBOABAJQN-IMRBUKKESA-N -1 3 370.369 0.217 20 50 FCGDHM C[C@@H](C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCO1 ZINC001573729719 948571161 /nfs/dbraw/zinc/57/11/61/948571161.db2.gz JRMJSQIFUGDEBG-MFKMUULPSA-N -1 3 360.374 0.208 20 50 FCGDHM CN1CCN(CCCCNC(=O)NNc2ccc(CC(=O)[O-])cc2)CC1 ZINC001598615268 993866718 /nfs/dbraw/zinc/86/67/18/993866718.db2.gz BLEQVAHHZYIHOB-UHFFFAOYSA-N -1 3 363.462 0.967 20 50 FCGDHM CCNC(=O)NC1(C(=O)NNc2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000825470618 607337337 /nfs/dbraw/zinc/33/73/37/607337337.db2.gz FKFWWPOUJFKONR-UHFFFAOYSA-N -1 3 358.406 0.942 20 50 FCGDHM CCNC(=O)NC1(C(=O)NNc2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000825470618 607337339 /nfs/dbraw/zinc/33/73/39/607337339.db2.gz FKFWWPOUJFKONR-UHFFFAOYSA-N -1 3 358.406 0.942 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCN1c1ncccn1 ZINC000826446247 607340913 /nfs/dbraw/zinc/34/09/13/607340913.db2.gz FENDUPJSUTZSJE-ZDUSSCGKSA-N -1 3 351.374 0.769 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000826447220 607345160 /nfs/dbraw/zinc/34/51/60/607345160.db2.gz USJQULZNNHQDKE-UHFFFAOYSA-N -1 3 364.325 0.153 20 50 FCGDHM O=C(CNC(=O)OCC(F)(F)F)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826411793 607355557 /nfs/dbraw/zinc/35/55/57/607355557.db2.gz NSWTVKFKEPZFLT-UHFFFAOYSA-N -1 3 359.268 0.598 20 50 FCGDHM O=CNc1ccc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000823551697 599699649 /nfs/dbraw/zinc/69/96/49/599699649.db2.gz ZRKOHBUFLUFRNP-UHFFFAOYSA-N -1 3 351.326 0.510 20 50 FCGDHM O=CNc1ccc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000823551697 599699650 /nfs/dbraw/zinc/69/96/50/599699650.db2.gz ZRKOHBUFLUFRNP-UHFFFAOYSA-N -1 3 351.326 0.510 20 50 FCGDHM N#Cc1ccc(C(=O)NCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826383987 607463739 /nfs/dbraw/zinc/46/37/39/607463739.db2.gz AQZZXGDWZXTRIW-UHFFFAOYSA-N -1 3 362.353 0.611 20 50 FCGDHM N#Cc1ccc(C(=O)NCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826383987 607463741 /nfs/dbraw/zinc/46/37/41/607463741.db2.gz AQZZXGDWZXTRIW-UHFFFAOYSA-N -1 3 362.353 0.611 20 50 FCGDHM COC[C@@](C)(CC(=O)[O-])NCC(=O)NNC(=O)c1ccccc1Cl ZINC000831573744 601491275 /nfs/dbraw/zinc/49/12/75/601491275.db2.gz VECOJJZMCRCHSR-OAHLLOKOSA-N -1 3 357.794 0.570 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)NOCc1cccnc1 ZINC000826445317 607565773 /nfs/dbraw/zinc/56/57/73/607565773.db2.gz PBZGGIVBUUIIEJ-UHFFFAOYSA-N -1 3 354.330 0.338 20 50 FCGDHM O=C(NNC(=O)[C@H]1CCn2cncc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444413 607571116 /nfs/dbraw/zinc/57/11/16/607571116.db2.gz FNILDUGTTQSPER-LBPRGKRZSA-N -1 3 352.358 0.087 20 50 FCGDHM O=C(NNC(=O)[C@H]1CCn2cncc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444413 607571117 /nfs/dbraw/zinc/57/11/17/607571117.db2.gz FNILDUGTTQSPER-LBPRGKRZSA-N -1 3 352.358 0.087 20 50 FCGDHM COc1ccc(CNC(=O)NNC(=O)CC(F)(F)F)cc1-c1nnn[n-]1 ZINC000826200464 607627120 /nfs/dbraw/zinc/62/71/20/607627120.db2.gz QXSVARYFNYYYNO-UHFFFAOYSA-N -1 3 373.295 0.658 20 50 FCGDHM COc1ccc(CNC(=O)NNC(=O)CC(F)(F)F)cc1-c1nn[n-]n1 ZINC000826200464 607627122 /nfs/dbraw/zinc/62/71/22/607627122.db2.gz QXSVARYFNYYYNO-UHFFFAOYSA-N -1 3 373.295 0.658 20 50 FCGDHM Cn1c(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)nc2ccccc21 ZINC000826355320 607683710 /nfs/dbraw/zinc/68/37/10/607683710.db2.gz UETKXAICRAITFN-UHFFFAOYSA-N -1 3 365.357 0.085 20 50 FCGDHM Cn1c(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)nc2ccccc21 ZINC000826355320 607683712 /nfs/dbraw/zinc/68/37/12/607683712.db2.gz UETKXAICRAITFN-UHFFFAOYSA-N -1 3 365.357 0.085 20 50 FCGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c2c(=O)[nH]n(C)c2n1 ZINC000826260128 607717630 /nfs/dbraw/zinc/71/76/30/607717630.db2.gz XRLLIENSVAWYSF-UHFFFAOYSA-N -1 3 365.357 0.919 20 50 FCGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c2c(=O)[nH]n(C)c2n1 ZINC000826260128 607717632 /nfs/dbraw/zinc/71/76/32/607717632.db2.gz XRLLIENSVAWYSF-UHFFFAOYSA-N -1 3 365.357 0.919 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000826448284 607726836 /nfs/dbraw/zinc/72/68/36/607726836.db2.gz PHFDSGINEBDAQD-ZDUSSCGKSA-N -1 3 355.402 0.958 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000826448284 607726837 /nfs/dbraw/zinc/72/68/37/607726837.db2.gz PHFDSGINEBDAQD-ZDUSSCGKSA-N -1 3 355.402 0.958 20 50 FCGDHM CNC(=O)c1cncc(C=CC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826073244 607733144 /nfs/dbraw/zinc/73/31/44/607733144.db2.gz LEQINSJHEYQWTD-WAYWQWQTSA-N -1 3 364.369 0.778 20 50 FCGDHM CNC(=O)c1cncc(C=CC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826073244 607733146 /nfs/dbraw/zinc/73/31/46/607733146.db2.gz LEQINSJHEYQWTD-WAYWQWQTSA-N -1 3 364.369 0.778 20 50 FCGDHM C[C@@H](CN1C[C@@H](C)O[C@@H](C)C1)C(=O)NN=Cc1cccn1CC(=O)[O-] ZINC000833623312 605097131 /nfs/dbraw/zinc/09/71/31/605097131.db2.gz JYGMYSMATZUYLK-MELADBBJSA-N -1 3 350.419 0.768 20 50 FCGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1CCC(=O)NC1 ZINC000823525772 606129873 /nfs/dbraw/zinc/12/98/73/606129873.db2.gz SQKYTSNWCKUERX-ZETCQYMHSA-N -1 3 369.307 0.855 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1CCC(=O)NC1 ZINC000823525772 606129874 /nfs/dbraw/zinc/12/98/74/606129874.db2.gz SQKYTSNWCKUERX-ZETCQYMHSA-N -1 3 369.307 0.855 20 50 FCGDHM COC(=O)[C@H](NNC(=O)c1ncccc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000826111265 607784999 /nfs/dbraw/zinc/78/49/99/607784999.db2.gz BZILLEGRPHAVFP-CQSZACIVSA-N -1 3 367.369 0.719 20 50 FCGDHM COC(=O)[C@H](NNC(=O)c1ncccc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000826111265 607785000 /nfs/dbraw/zinc/78/50/00/607785000.db2.gz BZILLEGRPHAVFP-CQSZACIVSA-N -1 3 367.369 0.719 20 50 FCGDHM CC1(C)C[C@@H]1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824796858 607805440 /nfs/dbraw/zinc/80/54/40/607805440.db2.gz SXXRNIYOVKOXMV-LLVKDONJSA-N -1 3 358.358 0.217 20 50 FCGDHM CC1(C)C[C@@H]1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824796858 607805441 /nfs/dbraw/zinc/80/54/41/607805441.db2.gz SXXRNIYOVKOXMV-LLVKDONJSA-N -1 3 358.358 0.217 20 50 FCGDHM C[C@@H]1OCC[C@H]1SCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825020207 607845514 /nfs/dbraw/zinc/84/55/14/607845514.db2.gz JLISFMBMAFDFMA-JOYOIKCWSA-N -1 3 362.415 0.538 20 50 FCGDHM C[C@@H]1OCC[C@H]1SCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825020207 607845515 /nfs/dbraw/zinc/84/55/15/607845515.db2.gz JLISFMBMAFDFMA-JOYOIKCWSA-N -1 3 362.415 0.538 20 50 FCGDHM O=C(NN=Cc1ccccc1-c1nnn[n-]1)c1ccc(-n2cnnn2)cc1 ZINC000826444657 607883053 /nfs/dbraw/zinc/88/30/53/607883053.db2.gz PBHBOYRPGBTNAG-UHFFFAOYSA-N -1 3 360.341 0.606 20 50 FCGDHM O=C(NN=Cc1ccccc1-c1nn[n-]n1)c1ccc(-n2cnnn2)cc1 ZINC000826444657 607883054 /nfs/dbraw/zinc/88/30/54/607883054.db2.gz PBHBOYRPGBTNAG-UHFFFAOYSA-N -1 3 360.341 0.606 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2O)cc(-c2nnn[n-]2)n1C ZINC000826235945 607941562 /nfs/dbraw/zinc/94/15/62/607941562.db2.gz VBSHPVFGYLWCKX-GFKDQTPOSA-N -1 3 355.402 0.840 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCCC[C@H]2O)cc(-c2nn[n-]n2)n1C ZINC000826235945 607941563 /nfs/dbraw/zinc/94/15/63/607941563.db2.gz VBSHPVFGYLWCKX-GFKDQTPOSA-N -1 3 355.402 0.840 20 50 FCGDHM O=C(NNC(=S)NC[C@H]1CCCCO1)c1cccc(-c2nnn[n-]2)c1 ZINC000826445104 607967550 /nfs/dbraw/zinc/96/75/50/607967550.db2.gz HCMXPACJZMKQCY-GFCCVEGCSA-N -1 3 361.431 0.545 20 50 FCGDHM O=C(NNC(=S)NC[C@H]1CCCCO1)c1cccc(-c2nn[n-]n2)c1 ZINC000826445104 607967551 /nfs/dbraw/zinc/96/75/51/607967551.db2.gz HCMXPACJZMKQCY-GFCCVEGCSA-N -1 3 361.431 0.545 20 50 FCGDHM Cc1c(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)cnn1C ZINC000826236256 607999986 /nfs/dbraw/zinc/99/99/86/607999986.db2.gz FIVGRLSAODVUDY-ACAGNQJTSA-N -1 3 365.401 0.779 20 50 FCGDHM Cc1c(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)cnn1C ZINC000826236256 607999987 /nfs/dbraw/zinc/99/99/87/607999987.db2.gz FIVGRLSAODVUDY-ACAGNQJTSA-N -1 3 365.401 0.779 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NNc2ncc(F)cn2)cc(-c2nnn[n-]2)n1C ZINC000826235228 608075612 /nfs/dbraw/zinc/07/56/12/608075612.db2.gz FRUHEKXFFNGNOY-XCVCLJGOSA-N -1 3 368.336 0.493 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NNc2ncc(F)cn2)cc(-c2nn[n-]n2)n1C ZINC000826235228 608075613 /nfs/dbraw/zinc/07/56/13/608075613.db2.gz FRUHEKXFFNGNOY-XCVCLJGOSA-N -1 3 368.336 0.493 20 50 FCGDHM CC(=NNC(=O)[C@H](C)CN1CCOCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948136 608094085 /nfs/dbraw/zinc/09/40/85/608094085.db2.gz DQCLEIFEDGBEOS-SNVBAGLBSA-N -1 3 363.447 0.737 20 50 FCGDHM CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948788 608094403 /nfs/dbraw/zinc/09/44/03/608094403.db2.gz YBLLDLPFUXQOHH-MRVPVSSYSA-N -1 3 354.417 0.203 20 50 FCGDHM O=C(NCc1noc(C2CC2)n1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826443841 608112702 /nfs/dbraw/zinc/11/27/02/608112702.db2.gz GGABTUVSNAYLTC-UHFFFAOYSA-N -1 3 369.345 0.271 20 50 FCGDHM O=C(NCc1noc(C2CC2)n1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826443841 608112703 /nfs/dbraw/zinc/11/27/03/608112703.db2.gz GGABTUVSNAYLTC-UHFFFAOYSA-N -1 3 369.345 0.271 20 50 FCGDHM COc1cccc(NCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000826216512 608113442 /nfs/dbraw/zinc/11/34/42/608113442.db2.gz BVDZSHADIIAAEN-UHFFFAOYSA-N -1 3 356.346 0.077 20 50 FCGDHM COc1cccc(NCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000826216512 608113443 /nfs/dbraw/zinc/11/34/43/608113443.db2.gz BVDZSHADIIAAEN-UHFFFAOYSA-N -1 3 356.346 0.077 20 50 FCGDHM O=C(NNC(=O)[C@H](O)CCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444742 608199045 /nfs/dbraw/zinc/19/90/45/608199045.db2.gz SAUYREWTMYDMDW-OAHLLOKOSA-N -1 3 366.381 0.621 20 50 FCGDHM O=C(NNC(=O)[C@H](O)CCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444742 608199046 /nfs/dbraw/zinc/19/90/46/608199046.db2.gz SAUYREWTMYDMDW-OAHLLOKOSA-N -1 3 366.381 0.621 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2ccn(C)n2)cc(-c2nnn[n-]2)n1C ZINC000826236021 608247278 /nfs/dbraw/zinc/24/72/78/608247278.db2.gz WWEWRSIEENBXLC-WUXMJOGZSA-N -1 3 351.374 0.471 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2ccn(C)n2)cc(-c2nn[n-]n2)n1C ZINC000826236021 608247279 /nfs/dbraw/zinc/24/72/79/608247279.db2.gz WWEWRSIEENBXLC-WUXMJOGZSA-N -1 3 351.374 0.471 20 50 FCGDHM CN(CC1CCOCC1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825915254 608405380 /nfs/dbraw/zinc/40/53/80/608405380.db2.gz VVVYSLAMBXHEHU-UHFFFAOYSA-N -1 3 359.390 0.580 20 50 FCGDHM CN(CC1CCOCC1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825915254 608405382 /nfs/dbraw/zinc/40/53/82/608405382.db2.gz VVVYSLAMBXHEHU-UHFFFAOYSA-N -1 3 359.390 0.580 20 50 FCGDHM CCC(=O)NNC(=O)[C@@H](C)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825033958 608463771 /nfs/dbraw/zinc/46/37/71/608463771.db2.gz AUAUZSLZLFFEID-GFCCVEGCSA-N -1 3 369.429 0.902 20 50 FCGDHM CCC(=O)NNC(=O)[C@@H](C)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825033958 608463773 /nfs/dbraw/zinc/46/37/73/608463773.db2.gz AUAUZSLZLFFEID-GFCCVEGCSA-N -1 3 369.429 0.902 20 50 FCGDHM Cc1cc(C(=O)NN=c2nccc[nH]2)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826260369 609145264 /nfs/dbraw/zinc/14/52/64/609145264.db2.gz LAJBXBKMJDTNOW-UHFFFAOYSA-N -1 3 362.357 0.908 20 50 FCGDHM Cc1cc(C(=O)NN=c2nccc[nH]2)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826260369 609145266 /nfs/dbraw/zinc/14/52/66/609145266.db2.gz LAJBXBKMJDTNOW-UHFFFAOYSA-N -1 3 362.357 0.908 20 50 FCGDHM O=C(CSc1ccccc1O)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826421088 609229887 /nfs/dbraw/zinc/22/98/87/609229887.db2.gz RHKLKNLZMIWGQT-UHFFFAOYSA-N -1 3 359.371 0.454 20 50 FCGDHM CCNC(=O)CC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000825465335 609253690 /nfs/dbraw/zinc/25/36/90/609253690.db2.gz KHHWOUDUEJHWHO-UHFFFAOYSA-N -1 3 357.296 0.855 20 50 FCGDHM CCNC(=O)CC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000825465335 609253692 /nfs/dbraw/zinc/25/36/92/609253692.db2.gz KHHWOUDUEJHWHO-UHFFFAOYSA-N -1 3 357.296 0.855 20 50 FCGDHM O=C(NCC[C@@H]1CCCCO1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826436333 609599001 /nfs/dbraw/zinc/59/90/01/609599001.db2.gz PZTPPTUBYBLTKD-ZDUSSCGKSA-N -1 3 359.390 0.770 20 50 FCGDHM O=C(NCC[C@@H]1CCCCO1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826436333 609599003 /nfs/dbraw/zinc/59/90/03/609599003.db2.gz PZTPPTUBYBLTKD-ZDUSSCGKSA-N -1 3 359.390 0.770 20 50 FCGDHM CC[C@@H](C)[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825051902 609642296 /nfs/dbraw/zinc/64/22/96/609642296.db2.gz ULLPQBUUTIBLMZ-MNOVXSKESA-N -1 3 374.401 0.853 20 50 FCGDHM CC[C@@H](C)[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825051902 609642297 /nfs/dbraw/zinc/64/22/97/609642297.db2.gz ULLPQBUUTIBLMZ-MNOVXSKESA-N -1 3 374.401 0.853 20 50 FCGDHM Cc1cccnc1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737436513 945069225 /nfs/dbraw/zinc/06/92/25/945069225.db2.gz UCKQNMBGRXUHNS-UHFFFAOYSA-N -1 3 352.358 0.714 20 50 FCGDHM Cc1cccnc1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737436513 945069234 /nfs/dbraw/zinc/06/92/34/945069234.db2.gz UCKQNMBGRXUHNS-UHFFFAOYSA-N -1 3 352.358 0.714 20 50 FCGDHM Cc1nc(COC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)no1 ZINC000737478805 945077046 /nfs/dbraw/zinc/07/70/46/945077046.db2.gz ZUAKTCVTOJESBQ-WCIBSUBMSA-N -1 3 354.330 0.855 20 50 FCGDHM Cc1nc(COC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)no1 ZINC000737478805 945077055 /nfs/dbraw/zinc/07/70/55/945077055.db2.gz ZUAKTCVTOJESBQ-WCIBSUBMSA-N -1 3 354.330 0.855 20 50 FCGDHM Cc1nn(C)cc1[C@@H](C)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737513318 945086005 /nfs/dbraw/zinc/08/60/05/945086005.db2.gz KKESGHLBWQHLED-SECBINFHSA-N -1 3 369.389 0.614 20 50 FCGDHM Cc1nn(C)cc1[C@@H](C)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737513318 945086011 /nfs/dbraw/zinc/08/60/11/945086011.db2.gz KKESGHLBWQHLED-SECBINFHSA-N -1 3 369.389 0.614 20 50 FCGDHM NC(=O)[C@H](NNC(=O)CCc1ccco1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737403 945119946 /nfs/dbraw/zinc/11/99/46/945119946.db2.gz QPCKGBODXLQPRN-CQSZACIVSA-N -1 3 355.358 0.240 20 50 FCGDHM NC(=O)[C@H](NNC(=O)CCc1ccco1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737403 945119954 /nfs/dbraw/zinc/11/99/54/945119954.db2.gz QPCKGBODXLQPRN-CQSZACIVSA-N -1 3 355.358 0.240 20 50 FCGDHM NC(=O)[C@H](NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000737736870 945120348 /nfs/dbraw/zinc/12/03/48/945120348.db2.gz LYUBYJYALALZKQ-CYBMUJFWSA-N -1 3 355.333 0.467 20 50 FCGDHM NC(=O)[C@H](NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000737736870 945120358 /nfs/dbraw/zinc/12/03/58/945120358.db2.gz LYUBYJYALALZKQ-CYBMUJFWSA-N -1 3 355.333 0.467 20 50 FCGDHM NC(=O)c1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737758632 945122057 /nfs/dbraw/zinc/12/20/57/945122057.db2.gz ARWSQPMMXNLEAL-UHFFFAOYSA-N -1 3 351.326 0.040 20 50 FCGDHM NC(=O)c1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737758632 945122061 /nfs/dbraw/zinc/12/20/61/945122061.db2.gz ARWSQPMMXNLEAL-UHFFFAOYSA-N -1 3 351.326 0.040 20 50 FCGDHM NC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737755125 945122587 /nfs/dbraw/zinc/12/25/87/945122587.db2.gz IHJVIDCGEPDEKU-UHFFFAOYSA-N -1 3 366.341 0.432 20 50 FCGDHM NC(=O)Nc1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737755125 945122593 /nfs/dbraw/zinc/12/25/93/945122593.db2.gz IHJVIDCGEPDEKU-UHFFFAOYSA-N -1 3 366.341 0.432 20 50 FCGDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCc1ccco1 ZINC000737893677 945146723 /nfs/dbraw/zinc/14/67/23/945146723.db2.gz DOIVQUZNQXIXAX-UHFFFAOYSA-N -1 3 356.346 0.402 20 50 FCGDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NNC(=O)Cc1ccsc1 ZINC000737925043 945155291 /nfs/dbraw/zinc/15/52/91/945155291.db2.gz MUQGHELNRFATRT-UHFFFAOYSA-N -1 3 358.383 0.697 20 50 FCGDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NNC(=O)Cc1ccsc1 ZINC000737925043 945155299 /nfs/dbraw/zinc/15/52/99/945155299.db2.gz MUQGHELNRFATRT-UHFFFAOYSA-N -1 3 358.383 0.697 20 50 FCGDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NNC(=O)Cc1ccccn1 ZINC000737942140 945161429 /nfs/dbraw/zinc/16/14/29/945161429.db2.gz VTSQLSBZGALNKB-UHFFFAOYSA-N -1 3 369.410 0.744 20 50 FCGDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1ccccn1 ZINC000737942140 945161434 /nfs/dbraw/zinc/16/14/34/945161434.db2.gz VTSQLSBZGALNKB-UHFFFAOYSA-N -1 3 369.410 0.744 20 50 FCGDHM O=C(Cc1cccnc1)NNC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737974270 945169241 /nfs/dbraw/zinc/16/92/41/945169241.db2.gz LLTGGUBRSPOLJD-UHFFFAOYSA-N -1 3 352.358 0.335 20 50 FCGDHM O=C(Cc1cccnc1)NNC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737974270 945169246 /nfs/dbraw/zinc/16/92/46/945169246.db2.gz LLTGGUBRSPOLJD-UHFFFAOYSA-N -1 3 352.358 0.335 20 50 FCGDHM O=C(NNC(=O)[C@H]1Cc2cc(F)ccc2O1)c1cccc(-c2nnn[n-]2)c1 ZINC000738129682 945205602 /nfs/dbraw/zinc/20/56/02/945205602.db2.gz HDMFZUAUDSPJAK-CQSZACIVSA-N -1 3 368.328 0.771 20 50 FCGDHM O=C(NNC(=O)[C@H]1Cc2cc(F)ccc2O1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129682 945205609 /nfs/dbraw/zinc/20/56/09/945205609.db2.gz HDMFZUAUDSPJAK-CQSZACIVSA-N -1 3 368.328 0.771 20 50 FCGDHM O=C(NNC(=O)[C@@H]1COc2ccccc21)c1ccc(-c2nnn[n-]2)cc1 ZINC000738130323 945208296 /nfs/dbraw/zinc/20/82/96/945208296.db2.gz PTIQMHLUPVGDQT-CYBMUJFWSA-N -1 3 350.338 0.804 20 50 FCGDHM O=C(NNC(=O)[C@@H]1COc2ccccc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000738130323 945208306 /nfs/dbraw/zinc/20/83/06/945208306.db2.gz PTIQMHLUPVGDQT-CYBMUJFWSA-N -1 3 350.338 0.804 20 50 FCGDHM O=C(NN=c1nccc[nH]1)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738137550 945243658 /nfs/dbraw/zinc/24/36/58/945243658.db2.gz PQYUOXKIUADOMX-ZDUSSCGKSA-N -1 3 351.374 0.769 20 50 FCGDHM C#CCCCCNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000819693428 945273340 /nfs/dbraw/zinc/27/33/40/945273340.db2.gz RTEUBLHQWZDRDT-UHFFFAOYSA-N -1 3 357.374 0.379 20 50 FCGDHM C#CCCCCNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000819693428 945273348 /nfs/dbraw/zinc/27/33/48/945273348.db2.gz RTEUBLHQWZDRDT-UHFFFAOYSA-N -1 3 357.374 0.379 20 50 FCGDHM CC(C)(C)CC(=O)NNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735595248 944678333 /nfs/dbraw/zinc/67/83/33/944678333.db2.gz ZMVDVLQWSSNNMM-UHFFFAOYSA-N -1 3 360.378 0.278 20 50 FCGDHM CC(C)(C)CC(=O)NNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735595248 944678338 /nfs/dbraw/zinc/67/83/38/944678338.db2.gz ZMVDVLQWSSNNMM-UHFFFAOYSA-N -1 3 360.378 0.278 20 50 FCGDHM CC(C)CCC(=O)NCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735796121 944702089 /nfs/dbraw/zinc/70/20/89/944702089.db2.gz ULHFVYRPWDTIBA-UHFFFAOYSA-N -1 3 359.390 0.180 20 50 FCGDHM CC(C)CCC(=O)NCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735796121 944702095 /nfs/dbraw/zinc/70/20/95/944702095.db2.gz ULHFVYRPWDTIBA-UHFFFAOYSA-N -1 3 359.390 0.180 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)Cc1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000736116116 944741370 /nfs/dbraw/zinc/74/13/70/944741370.db2.gz CEDPOMMVSNYPDJ-LLVKDONJSA-N -1 3 366.385 0.896 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)Cc1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000736116116 944741379 /nfs/dbraw/zinc/74/13/79/944741379.db2.gz CEDPOMMVSNYPDJ-LLVKDONJSA-N -1 3 366.385 0.896 20 50 FCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)Nc1ccncc1 ZINC000736170882 944753459 /nfs/dbraw/zinc/75/34/59/944753459.db2.gz YTWCZJYRUDILBR-JTQLQIEISA-N -1 3 368.357 0.304 20 50 FCGDHM C[C@H](Oc1cccnc1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736189250 944758452 /nfs/dbraw/zinc/75/84/52/944758452.db2.gz OSCNUEWHXDNWRL-JTQLQIEISA-N -1 3 353.342 0.490 20 50 FCGDHM C[C@H](Oc1cccnc1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736189250 944758455 /nfs/dbraw/zinc/75/84/55/944758455.db2.gz OSCNUEWHXDNWRL-JTQLQIEISA-N -1 3 353.342 0.490 20 50 FCGDHM CC1=C(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C(=O)OC1(C)C ZINC000736231137 944771278 /nfs/dbraw/zinc/77/12/78/944771278.db2.gz WEZXVEXHHNMPBD-UHFFFAOYSA-N -1 3 356.342 0.280 20 50 FCGDHM CC1=C(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C(=O)OC1(C)C ZINC000736231137 944771288 /nfs/dbraw/zinc/77/12/88/944771288.db2.gz WEZXVEXHHNMPBD-UHFFFAOYSA-N -1 3 356.342 0.280 20 50 FCGDHM C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736262523 944779180 /nfs/dbraw/zinc/77/91/80/944779180.db2.gz NDXOYTNAOYPVOF-ZWNOBZJWSA-N -1 3 359.390 0.765 20 50 FCGDHM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736325431 944803191 /nfs/dbraw/zinc/80/31/91/944803191.db2.gz JJVVXEXDCYYXAL-VHSXEESVSA-N -1 3 374.405 0.114 20 50 FCGDHM CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736325431 944803198 /nfs/dbraw/zinc/80/31/98/944803198.db2.gz JJVVXEXDCYYXAL-VHSXEESVSA-N -1 3 374.405 0.114 20 50 FCGDHM CCOCC(=O)NNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000736609741 944854310 /nfs/dbraw/zinc/85/43/10/944854310.db2.gz RKPYIJPZHNFKQK-UHFFFAOYSA-N -1 3 355.811 0.874 20 50 FCGDHM CCOCC(=O)NNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000736609741 944854319 /nfs/dbraw/zinc/85/43/19/944854319.db2.gz RKPYIJPZHNFKQK-UHFFFAOYSA-N -1 3 355.811 0.874 20 50 FCGDHM CN(C)C(=O)[C@H](NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736747899 944881294 /nfs/dbraw/zinc/88/12/94/944881294.db2.gz TYUNMQBSWADUMV-OAHLLOKOSA-N -1 3 365.397 0.931 20 50 FCGDHM CN(C)C(=O)[C@H](NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736747899 944881308 /nfs/dbraw/zinc/88/13/08/944881308.db2.gz TYUNMQBSWADUMV-OAHLLOKOSA-N -1 3 365.397 0.931 20 50 FCGDHM COC(=O)[C@@H](C)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736891791 944906488 /nfs/dbraw/zinc/90/64/88/944906488.db2.gz LSHHVDUFJKQURJ-IWKZGAEBSA-N -1 3 357.374 0.346 20 50 FCGDHM COC(=O)[C@@H](C)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736891791 944906490 /nfs/dbraw/zinc/90/64/90/944906490.db2.gz LSHHVDUFJKQURJ-IWKZGAEBSA-N -1 3 357.374 0.346 20 50 FCGDHM CO[C@H](CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000736963895 944919060 /nfs/dbraw/zinc/91/90/60/944919060.db2.gz VENODNRBXLUJOA-SECBINFHSA-N -1 3 373.295 0.388 20 50 FCGDHM CO[C@H](CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000736963895 944919071 /nfs/dbraw/zinc/91/90/71/944919071.db2.gz VENODNRBXLUJOA-SECBINFHSA-N -1 3 373.295 0.388 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCO[C@@H](C#N)C2)cc(-c2nnn[n-]2)n1C ZINC000737212091 944991478 /nfs/dbraw/zinc/99/14/78/944991478.db2.gz HRDNRINCAMCBLB-XLVZXTRVSA-N -1 3 352.358 0.172 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCO[C@@H](C#N)C2)cc(-c2nn[n-]n2)n1C ZINC000737212091 944991482 /nfs/dbraw/zinc/99/14/82/944991482.db2.gz HRDNRINCAMCBLB-XLVZXTRVSA-N -1 3 352.358 0.172 20 50 FCGDHM C[C@@H](NC(=S)NNC(=O)COc1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000820403072 945443303 /nfs/dbraw/zinc/44/33/03/945443303.db2.gz HFKKVSKSTNODJD-SECBINFHSA-N -1 3 361.431 0.539 20 50 FCGDHM C[C@@H](NC(=S)NNC(=O)COc1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000820403072 945443310 /nfs/dbraw/zinc/44/33/10/945443310.db2.gz HFKKVSKSTNODJD-SECBINFHSA-N -1 3 361.431 0.539 20 50 FCGDHM CC1(O)CCC(NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000820623319 945502278 /nfs/dbraw/zinc/50/22/78/945502278.db2.gz MCFHJNCVKBTEEN-UHFFFAOYSA-N -1 3 359.390 0.504 20 50 FCGDHM CC1(O)CCC(NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820623319 945502289 /nfs/dbraw/zinc/50/22/89/945502289.db2.gz MCFHJNCVKBTEEN-UHFFFAOYSA-N -1 3 359.390 0.504 20 50 FCGDHM C[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCS1 ZINC000820752279 945549107 /nfs/dbraw/zinc/54/91/07/945549107.db2.gz LMWHXERBEIZFSB-JTQLQIEISA-N -1 3 361.431 0.065 20 50 FCGDHM C[C@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCS1 ZINC000820752279 945549113 /nfs/dbraw/zinc/54/91/13/945549113.db2.gz LMWHXERBEIZFSB-JTQLQIEISA-N -1 3 361.431 0.065 20 50 FCGDHM CC[C@H](NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)C(=O)OC ZINC000820914261 945586782 /nfs/dbraw/zinc/58/67/82/945586782.db2.gz NITUPXUZCRBPLY-BCMYLCSRSA-N -1 3 357.374 0.488 20 50 FCGDHM CC[C@H](NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C(=O)OC ZINC000820914261 945586789 /nfs/dbraw/zinc/58/67/89/945586789.db2.gz NITUPXUZCRBPLY-BCMYLCSRSA-N -1 3 357.374 0.488 20 50 FCGDHM CCC1(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC000820944712 945594145 /nfs/dbraw/zinc/59/41/45/945594145.db2.gz NONHTWHJHCIIFT-UHFFFAOYSA-N -1 3 372.385 0.751 20 50 FCGDHM CCC1(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000820944712 945594154 /nfs/dbraw/zinc/59/41/54/945594154.db2.gz NONHTWHJHCIIFT-UHFFFAOYSA-N -1 3 372.385 0.751 20 50 FCGDHM CC[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)O1 ZINC000820994643 945606805 /nfs/dbraw/zinc/60/68/05/945606805.db2.gz JOHJMBMRLZALCH-BXUZGUMPSA-N -1 3 373.417 0.127 20 50 FCGDHM CC[C@@H]1CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)O1 ZINC000820994643 945606812 /nfs/dbraw/zinc/60/68/12/945606812.db2.gz JOHJMBMRLZALCH-BXUZGUMPSA-N -1 3 373.417 0.127 20 50 FCGDHM CCC[C@@H]1C[C@H]1NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821034737 945618435 /nfs/dbraw/zinc/61/84/35/945618435.db2.gz SIUKVUQRSSRJOM-DGCLKSJQSA-N -1 3 359.390 0.765 20 50 FCGDHM CCOC1CCN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821368685 945683374 /nfs/dbraw/zinc/68/33/74/945683374.db2.gz UVJCVOFNQDUZCE-UHFFFAOYSA-N -1 3 373.417 0.129 20 50 FCGDHM CCOC1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821368685 945683383 /nfs/dbraw/zinc/68/33/83/945683383.db2.gz UVJCVOFNQDUZCE-UHFFFAOYSA-N -1 3 373.417 0.129 20 50 FCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C[C@H]1CCCCO1 ZINC000821593592 945729339 /nfs/dbraw/zinc/72/93/39/945729339.db2.gz ACTYJEQZNOOFEC-CQSZACIVSA-N -1 3 373.417 0.129 20 50 FCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C[C@H]1CCCCO1 ZINC000821593592 945729346 /nfs/dbraw/zinc/72/93/46/945729346.db2.gz ACTYJEQZNOOFEC-CQSZACIVSA-N -1 3 373.417 0.129 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cc1cccs1 ZINC000821593929 945732615 /nfs/dbraw/zinc/73/26/15/945732615.db2.gz QOHCJVRRSWOTGC-UHFFFAOYSA-N -1 3 371.426 0.821 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cc1cccs1 ZINC000821593929 945732624 /nfs/dbraw/zinc/73/26/24/945732624.db2.gz QOHCJVRRSWOTGC-UHFFFAOYSA-N -1 3 371.426 0.821 20 50 FCGDHM CNC(=O)[C@@H](NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)C(C)C ZINC000821631611 945760288 /nfs/dbraw/zinc/76/02/88/945760288.db2.gz NIJXUNKPQHDHJQ-ZDWRTJATSA-N -1 3 370.417 0.307 20 50 FCGDHM CNC(=O)[C@@H](NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C(C)C ZINC000821631611 945760295 /nfs/dbraw/zinc/76/02/95/945760295.db2.gz NIJXUNKPQHDHJQ-ZDWRTJATSA-N -1 3 370.417 0.307 20 50 FCGDHM CNC(=O)[C@H](NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)C(C)C ZINC000821631609 945760363 /nfs/dbraw/zinc/76/03/63/945760363.db2.gz NIJXUNKPQHDHJQ-NFEOESJKSA-N -1 3 370.417 0.307 20 50 FCGDHM CNC(=O)[C@H](NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C(C)C ZINC000821631609 945760372 /nfs/dbraw/zinc/76/03/72/945760372.db2.gz NIJXUNKPQHDHJQ-NFEOESJKSA-N -1 3 370.417 0.307 20 50 FCGDHM COC(C)(C)CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821673673 945794125 /nfs/dbraw/zinc/79/41/25/945794125.db2.gz IRFSUIPVSOUQTQ-UHFFFAOYSA-N -1 3 363.378 0.001 20 50 FCGDHM CO[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000821677170 945795365 /nfs/dbraw/zinc/79/53/65/945795365.db2.gz QAOSHQJFQGBBRL-LBPRGKRZSA-N -1 3 361.406 0.872 20 50 FCGDHM CO[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000821677170 945795371 /nfs/dbraw/zinc/79/53/71/945795371.db2.gz QAOSHQJFQGBBRL-LBPRGKRZSA-N -1 3 361.406 0.872 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@H](O)C2CC2)cc(-c2nnn[n-]2)n1C ZINC000822020646 945923573 /nfs/dbraw/zinc/92/35/73/945923573.db2.gz GBMLOHXJJQFXLG-NNSJBKGDSA-N -1 3 355.402 0.650 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@H](O)C2CC2)cc(-c2nn[n-]n2)n1C ZINC000822020646 945923581 /nfs/dbraw/zinc/92/35/81/945923581.db2.gz GBMLOHXJJQFXLG-NNSJBKGDSA-N -1 3 355.402 0.650 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCCc2cn[nH]c2)cc(-c2nnn[n-]2)n1C ZINC000822026850 945926474 /nfs/dbraw/zinc/92/64/74/945926474.db2.gz APLHEUKJSWVRGB-ACAGNQJTSA-N -1 3 352.358 0.930 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCCc2cn[nH]c2)cc(-c2nn[n-]n2)n1C ZINC000822026850 945926480 /nfs/dbraw/zinc/92/64/80/945926480.db2.gz APLHEUKJSWVRGB-ACAGNQJTSA-N -1 3 352.358 0.930 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(CO)CC2)cc(-c2nnn[n-]2)n1C ZINC000822029078 945952280 /nfs/dbraw/zinc/95/22/80/945952280.db2.gz VCKJDPSGGKECLL-AUWJEWJLSA-N -1 3 355.402 0.652 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(CO)CC2)cc(-c2nn[n-]n2)n1C ZINC000822029078 945952287 /nfs/dbraw/zinc/95/22/87/945952287.db2.gz VCKJDPSGGKECLL-AUWJEWJLSA-N -1 3 355.402 0.652 20 50 FCGDHM Cc1cc(=O)[nH]cc1C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822161039 945966387 /nfs/dbraw/zinc/96/63/87/945966387.db2.gz NPWCZAVAMSCPSP-UHFFFAOYSA-N -1 3 369.341 0.116 20 50 FCGDHM NC(=O)NCCC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822873996 946208597 /nfs/dbraw/zinc/20/85/97/946208597.db2.gz OSTNZVDRBLHJRV-UHFFFAOYSA-N -1 3 358.284 0.387 20 50 FCGDHM NC(=O)NCCC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822873996 946208604 /nfs/dbraw/zinc/20/86/04/946208604.db2.gz OSTNZVDRBLHJRV-UHFFFAOYSA-N -1 3 358.284 0.387 20 50 FCGDHM O=C(COC(=O)CC1CCCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823017582 946269048 /nfs/dbraw/zinc/26/90/48/946269048.db2.gz BNGNUIUQORAXIL-UHFFFAOYSA-N -1 3 372.385 0.751 20 50 FCGDHM O=C(COC(=O)CC1CCCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823017582 946269058 /nfs/dbraw/zinc/26/90/58/946269058.db2.gz BNGNUIUQORAXIL-UHFFFAOYSA-N -1 3 372.385 0.751 20 50 FCGDHM O=C(COC(=O)[C@@H]1CC=CCC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018088 946270061 /nfs/dbraw/zinc/27/00/61/946270061.db2.gz HKJPYJVMNLJWFK-CYBMUJFWSA-N -1 3 370.369 0.527 20 50 FCGDHM O=C(COC(=O)[C@@H]1CC=CCC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018088 946270071 /nfs/dbraw/zinc/27/00/71/946270071.db2.gz HKJPYJVMNLJWFK-CYBMUJFWSA-N -1 3 370.369 0.527 20 50 FCGDHM O=C(/C=C/C1CC1)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823017994 946271576 /nfs/dbraw/zinc/27/15/76/946271576.db2.gz GEDWLJMCJGQAHO-FPYGCLRLSA-N -1 3 356.342 0.137 20 50 FCGDHM O=C(/C=C/C1CC1)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823017994 946271588 /nfs/dbraw/zinc/27/15/88/946271588.db2.gz GEDWLJMCJGQAHO-FPYGCLRLSA-N -1 3 356.342 0.137 20 50 FCGDHM O=C(COC(=O)[C@@H]1C[C@@H]1C1CC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018364 946271611 /nfs/dbraw/zinc/27/16/11/946271611.db2.gz LQFHLCSTRKOYQB-CHWSQXEVSA-N -1 3 370.369 0.217 20 50 FCGDHM O=C(COC(=O)[C@@H]1C[C@@H]1C1CC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018364 946271622 /nfs/dbraw/zinc/27/16/22/946271622.db2.gz LQFHLCSTRKOYQB-CHWSQXEVSA-N -1 3 370.369 0.217 20 50 FCGDHM O=C(COC(=O)[C@@H]1CC=CCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018868 946275114 /nfs/dbraw/zinc/27/51/14/946275114.db2.gz ZILWLAHVJXTVAX-LLVKDONJSA-N -1 3 370.369 0.527 20 50 FCGDHM O=C(COC(=O)[C@@H]1CC=CCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018868 946275124 /nfs/dbraw/zinc/27/51/24/946275124.db2.gz ZILWLAHVJXTVAX-LLVKDONJSA-N -1 3 370.369 0.527 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)N[C@H]1CCSC1 ZINC000823036579 946284998 /nfs/dbraw/zinc/28/49/98/946284998.db2.gz IBBGWRSHTPWIOC-JTQLQIEISA-N -1 3 363.403 0.081 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@@H](O)c1ccccc1 ZINC000823037185 946287889 /nfs/dbraw/zinc/28/78/89/946287889.db2.gz SQWOMUMNOKJCOH-HNNXBMFYSA-N -1 3 368.353 0.127 20 50 FCGDHM O=C(CSC1=NCCS1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823054833 946298482 /nfs/dbraw/zinc/29/84/82/946298482.db2.gz FDMRCSOBCSDNIB-UHFFFAOYSA-N -1 3 363.428 0.464 20 50 FCGDHM O=C(CSC1=NCCS1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823054833 946298491 /nfs/dbraw/zinc/29/84/91/946298491.db2.gz FDMRCSOBCSDNIB-UHFFFAOYSA-N -1 3 363.428 0.464 20 50 FCGDHM O=C(CSc1nc2c(cc1-c1nnn[n-]1)CCCC2)NNC(=O)C1CC1 ZINC000823070783 946303843 /nfs/dbraw/zinc/30/38/43/946303843.db2.gz NUWGZMILNAQFAR-UHFFFAOYSA-N -1 3 373.442 0.790 20 50 FCGDHM O=C(CSc1nc2c(cc1-c1nn[n-]n1)CCCC2)NNC(=O)C1CC1 ZINC000823070783 946303848 /nfs/dbraw/zinc/30/38/48/946303848.db2.gz NUWGZMILNAQFAR-UHFFFAOYSA-N -1 3 373.442 0.790 20 50 FCGDHM O=C(Cn1cc2ccccc2n1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823123135 946323804 /nfs/dbraw/zinc/32/38/04/946323804.db2.gz OXQMYWNJNDAMTI-UHFFFAOYSA-N -1 3 362.353 0.678 20 50 FCGDHM O=C(Cn1cc2ccccc2n1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823123135 946323816 /nfs/dbraw/zinc/32/38/16/946323816.db2.gz OXQMYWNJNDAMTI-UHFFFAOYSA-N -1 3 362.353 0.678 20 50 FCGDHM O=C(Cn1cc2ccccc2n1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823122796 946324425 /nfs/dbraw/zinc/32/44/25/946324425.db2.gz IDNQYCBMHGWENK-UHFFFAOYSA-N -1 3 362.353 0.678 20 50 FCGDHM O=C(Cn1cc2ccccc2n1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823122796 946324440 /nfs/dbraw/zinc/32/44/40/946324440.db2.gz IDNQYCBMHGWENK-UHFFFAOYSA-N -1 3 362.353 0.678 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2C=C[C@H](CO)C2)cc(-c2nnn[n-]2)n1C ZINC000826235115 947689833 /nfs/dbraw/zinc/68/98/33/947689833.db2.gz BVRYXMAGUYYAOF-XNMMALDOSA-N -1 3 353.386 0.474 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2C=C[C@H](CO)C2)cc(-c2nn[n-]n2)n1C ZINC000826235115 947689841 /nfs/dbraw/zinc/68/98/41/947689841.db2.gz BVRYXMAGUYYAOF-XNMMALDOSA-N -1 3 353.386 0.474 20 50 FCGDHM O=C(C=Cc1ccc(O)c(O)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826400785 948220372 /nfs/dbraw/zinc/22/03/72/948220372.db2.gz IFDWWHCGHXWBLD-FNORWQNLSA-N -1 3 366.337 0.752 20 50 FCGDHM O=C(C=Cc1ccc(O)c(O)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826400785 948220380 /nfs/dbraw/zinc/22/03/80/948220380.db2.gz IFDWWHCGHXWBLD-FNORWQNLSA-N -1 3 366.337 0.752 20 50 FCGDHM O=C(COC(=O)[C@H]1[C@@H]2CCC[C@@H]21)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826415110 948255316 /nfs/dbraw/zinc/25/53/16/948255316.db2.gz RTHIIQDGDZPSJO-IMRBUKKESA-N -1 3 370.369 0.217 20 50 FCGDHM O=C(COC(=O)[C@H]1[C@@H]2CCC[C@@H]21)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826415110 948255326 /nfs/dbraw/zinc/25/53/26/948255326.db2.gz RTHIIQDGDZPSJO-IMRBUKKESA-N -1 3 370.369 0.217 20 50 FCGDHM O=S(=O)(CBr)NCCOc1ccc(-c2nn[n-]n2)cc1 ZINC000826484025 948400661 /nfs/dbraw/zinc/40/06/61/948400661.db2.gz KIYPVXHRDHTPMU-UHFFFAOYSA-N -1 3 362.209 0.517 20 50 FCGDHM C[C@@H](C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCO1 ZINC001573729720 948572254 /nfs/dbraw/zinc/57/22/54/948572254.db2.gz JRMJSQIFUGDEBG-ZWNOBZJWSA-N -1 3 360.374 0.208 20 50 FCGDHM C[C@@H](CNC(=O)NNc1ccc(CC(=O)[O-])cc1)CN1CCN(C)CC1 ZINC001592676086 979094172 /nfs/dbraw/zinc/09/41/72/979094172.db2.gz KMDBKGKUUQDNOB-AWEZNQCLSA-N -1 3 363.462 0.823 20 50 FCGDHM CC(C)NC(=O)N1CCC[C@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824304596 607352153 /nfs/dbraw/zinc/35/21/53/607352153.db2.gz CCOKRLPIRYIARU-ZDUSSCGKSA-N -1 3 358.406 0.892 20 50 FCGDHM COc1ccc(CNC(=O)NNc2ccc(C)nn2)cc1-c1nnn[n-]1 ZINC000826200170 607575311 /nfs/dbraw/zinc/57/53/11/607575311.db2.gz BFMQZIWKXFLDFM-UHFFFAOYSA-N -1 3 355.362 0.800 20 50 FCGDHM COc1ccc(CNC(=O)NNc2ccc(C)nn2)cc1-c1nn[n-]n1 ZINC000826200170 607575314 /nfs/dbraw/zinc/57/53/14/607575314.db2.gz BFMQZIWKXFLDFM-UHFFFAOYSA-N -1 3 355.362 0.800 20 50 FCGDHM COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000826181402 607682844 /nfs/dbraw/zinc/68/28/44/607682844.db2.gz XYWOMGRPYSQWHU-UHFFFAOYSA-N -1 3 357.330 0.287 20 50 FCGDHM COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000826181402 607682846 /nfs/dbraw/zinc/68/28/46/607682846.db2.gz XYWOMGRPYSQWHU-UHFFFAOYSA-N -1 3 357.330 0.287 20 50 FCGDHM CC1(C)C[C@H]1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824796859 607713993 /nfs/dbraw/zinc/71/39/93/607713993.db2.gz SXXRNIYOVKOXMV-NSHDSACASA-N -1 3 358.358 0.217 20 50 FCGDHM CC1(C)C[C@H]1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824796859 607713994 /nfs/dbraw/zinc/71/39/94/607713994.db2.gz SXXRNIYOVKOXMV-NSHDSACASA-N -1 3 358.358 0.217 20 50 FCGDHM O=C(CNC(=O)NC1CCCCC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826412041 607721011 /nfs/dbraw/zinc/72/10/11/607721011.db2.gz YXGCMXUQXCQDBS-UHFFFAOYSA-N -1 3 358.406 0.942 20 50 FCGDHM O=C(CNC(=O)NC1CCCCC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826412041 607721014 /nfs/dbraw/zinc/72/10/14/607721014.db2.gz YXGCMXUQXCQDBS-UHFFFAOYSA-N -1 3 358.406 0.942 20 50 FCGDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826342679 607726350 /nfs/dbraw/zinc/72/63/50/607726350.db2.gz VTUHEAUJOLRIBN-UHFFFAOYSA-N -1 3 366.341 0.772 20 50 FCGDHM Cc1oc2ncn(C)c(=O)c2c1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826342679 607726352 /nfs/dbraw/zinc/72/63/52/607726352.db2.gz VTUHEAUJOLRIBN-UHFFFAOYSA-N -1 3 366.341 0.772 20 50 FCGDHM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824071803 607727354 /nfs/dbraw/zinc/72/73/54/607727354.db2.gz NSOGXYQMJZYRBO-LLVKDONJSA-N -1 3 367.435 0.274 20 50 FCGDHM CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824071803 607727356 /nfs/dbraw/zinc/72/73/56/607727356.db2.gz NSOGXYQMJZYRBO-LLVKDONJSA-N -1 3 367.435 0.274 20 50 FCGDHM O=C(NCc1ncccc1F)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826444088 607757969 /nfs/dbraw/zinc/75/79/69/607757969.db2.gz PNXXMXUHZOMWDS-UHFFFAOYSA-N -1 3 356.321 0.545 20 50 FCGDHM O=C(NCc1ncccc1F)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826444088 607757970 /nfs/dbraw/zinc/75/79/70/607757970.db2.gz PNXXMXUHZOMWDS-UHFFFAOYSA-N -1 3 356.321 0.545 20 50 FCGDHM O=Cc1cc(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000823551245 606660167 /nfs/dbraw/zinc/66/01/67/606660167.db2.gz KQUZVCMVJNERAB-UHFFFAOYSA-N -1 3 372.366 0.581 20 50 FCGDHM CS[C@H](C)CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826225693 607782597 /nfs/dbraw/zinc/78/25/97/607782597.db2.gz IMPXDQOLPGIASY-SECBINFHSA-N -1 3 365.419 0.327 20 50 FCGDHM CS[C@H](C)CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826225693 607782598 /nfs/dbraw/zinc/78/25/98/607782598.db2.gz IMPXDQOLPGIASY-SECBINFHSA-N -1 3 365.419 0.327 20 50 FCGDHM COC(=O)[C@@H](NNC(=O)c1ncccc1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000826111494 607784809 /nfs/dbraw/zinc/78/48/09/607784809.db2.gz GFBFFBOSZCXPEP-AWEZNQCLSA-N -1 3 367.369 0.719 20 50 FCGDHM COC(=O)[C@@H](NNC(=O)c1ncccc1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000826111494 607784810 /nfs/dbraw/zinc/78/48/10/607784810.db2.gz GFBFFBOSZCXPEP-AWEZNQCLSA-N -1 3 367.369 0.719 20 50 FCGDHM CC1(C)C[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824791291 607823141 /nfs/dbraw/zinc/82/31/41/607823141.db2.gz YGQIWKHDTUZTTR-GFCCVEGCSA-N -1 3 359.390 0.768 20 50 FCGDHM CC1(C)C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824791291 607823142 /nfs/dbraw/zinc/82/31/42/607823142.db2.gz YGQIWKHDTUZTTR-GFCCVEGCSA-N -1 3 359.390 0.768 20 50 FCGDHM CCC(=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1nccn1C ZINC000825029535 607881678 /nfs/dbraw/zinc/88/16/78/607881678.db2.gz VNOOPZCCJHKXKV-UHFFFAOYSA-N -1 3 354.374 0.910 20 50 FCGDHM C[C@H](c1ccco1)N(C)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824769801 607921297 /nfs/dbraw/zinc/92/12/97/607921297.db2.gz BALYOXQOJQOOQO-LLVKDONJSA-N -1 3 369.385 0.914 20 50 FCGDHM C[C@H](c1ccco1)N(C)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824769801 607921298 /nfs/dbraw/zinc/92/12/98/607921298.db2.gz BALYOXQOJQOOQO-LLVKDONJSA-N -1 3 369.385 0.914 20 50 FCGDHM CCN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C[C@@H]1CCCO1 ZINC000825395679 607922511 /nfs/dbraw/zinc/92/25/11/607922511.db2.gz UMKRKKXCVBCWTQ-AWEZNQCLSA-N -1 3 373.417 0.129 20 50 FCGDHM O=C(CSCC(F)(F)F)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826419566 608058520 /nfs/dbraw/zinc/05/85/20/608058520.db2.gz CYJXWYAKJQOOPJ-UHFFFAOYSA-N -1 3 360.321 0.923 20 50 FCGDHM O=C(CSCC(F)(F)F)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826419566 608058521 /nfs/dbraw/zinc/05/85/21/608058521.db2.gz CYJXWYAKJQOOPJ-UHFFFAOYSA-N -1 3 360.321 0.923 20 50 FCGDHM COc1ccccc1SCC(=O)NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826220940 608088320 /nfs/dbraw/zinc/08/83/20/608088320.db2.gz HMONNZFUFANCKI-UHFFFAOYSA-N -1 3 373.398 0.757 20 50 FCGDHM COc1ccccc1SCC(=O)NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826220940 608088321 /nfs/dbraw/zinc/08/83/21/608088321.db2.gz HMONNZFUFANCKI-UHFFFAOYSA-N -1 3 373.398 0.757 20 50 FCGDHM COc1ccccc1NCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826220371 608113538 /nfs/dbraw/zinc/11/35/38/608113538.db2.gz LUYILAPXHZACHJ-UHFFFAOYSA-N -1 3 356.346 0.077 20 50 FCGDHM COc1ccccc1NCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826220371 608113539 /nfs/dbraw/zinc/11/35/39/608113539.db2.gz LUYILAPXHZACHJ-UHFFFAOYSA-N -1 3 356.346 0.077 20 50 FCGDHM CCOc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NNc1ccccn1 ZINC000825621013 608141016 /nfs/dbraw/zinc/14/10/16/608141016.db2.gz MTOVPBXDWNYVBS-UHFFFAOYSA-N -1 3 368.357 0.742 20 50 FCGDHM CCOc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NNc1ccccn1 ZINC000825621013 608141017 /nfs/dbraw/zinc/14/10/17/608141017.db2.gz MTOVPBXDWNYVBS-UHFFFAOYSA-N -1 3 368.357 0.742 20 50 FCGDHM O=C(NNc1ncccc1Cl)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826449951 608141336 /nfs/dbraw/zinc/14/13/36/608141336.db2.gz QIXUYLHIFWZFFA-UHFFFAOYSA-N -1 3 358.749 0.997 20 50 FCGDHM O=C(NNc1ncccc1Cl)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826449951 608141337 /nfs/dbraw/zinc/14/13/37/608141337.db2.gz QIXUYLHIFWZFFA-UHFFFAOYSA-N -1 3 358.749 0.997 20 50 FCGDHM COc1cccc(NNC(=O)C(=O)Nc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826217147 608141937 /nfs/dbraw/zinc/14/19/37/608141937.db2.gz ZQDOGTGXOMJCFS-UHFFFAOYSA-N -1 3 354.330 0.352 20 50 FCGDHM COc1cccc(NNC(=O)C(=O)Nc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826217147 608141938 /nfs/dbraw/zinc/14/19/38/608141938.db2.gz ZQDOGTGXOMJCFS-UHFFFAOYSA-N -1 3 354.330 0.352 20 50 FCGDHM C[C@H]1C[C@@H](CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824885041 608163151 /nfs/dbraw/zinc/16/31/51/608163151.db2.gz QWSHCTATUBTWDB-QWRGUYRKSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@H]1C[C@@H](CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824885041 608163153 /nfs/dbraw/zinc/16/31/53/608163153.db2.gz QWSHCTATUBTWDB-QWRGUYRKSA-N -1 3 359.390 0.626 20 50 FCGDHM COc1cccc([C@H](O)C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826215591 608197341 /nfs/dbraw/zinc/19/73/41/608197341.db2.gz UFLLOYUTKGYZNM-AWEZNQCLSA-N -1 3 368.353 0.370 20 50 FCGDHM COc1cccc([C@H](O)C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826215591 608197343 /nfs/dbraw/zinc/19/73/43/608197343.db2.gz UFLLOYUTKGYZNM-AWEZNQCLSA-N -1 3 368.353 0.370 20 50 FCGDHM Cc1cc(C(=O)NNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)c(C)o1 ZINC000826259886 608216211 /nfs/dbraw/zinc/21/62/11/608216211.db2.gz KYFLDYKDPCOPCU-UHFFFAOYSA-N -1 3 356.346 0.345 20 50 FCGDHM Cc1cc(C(=O)NNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)c(C)o1 ZINC000826259886 608216212 /nfs/dbraw/zinc/21/62/12/608216212.db2.gz KYFLDYKDPCOPCU-UHFFFAOYSA-N -1 3 356.346 0.345 20 50 FCGDHM CCc1cccnc1C(=O)[N-]NC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825728732 608315319 /nfs/dbraw/zinc/31/53/19/608315319.db2.gz XOBIELIUVROEIW-UHFFFAOYSA-N -1 3 367.369 0.664 20 50 FCGDHM CN(C)c1nccc(C=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825883735 608388461 /nfs/dbraw/zinc/38/84/61/608388461.db2.gz LZIYSQNGZAYYSO-UHFFFAOYSA-N -1 3 367.373 0.252 20 50 FCGDHM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)O1 ZINC000825838780 608536872 /nfs/dbraw/zinc/53/68/72/608536872.db2.gz CDDPZBQMHDZZNY-OLZOCXBDSA-N -1 3 374.405 0.129 20 50 FCGDHM CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)O1 ZINC000825838780 608536873 /nfs/dbraw/zinc/53/68/73/608536873.db2.gz CDDPZBQMHDZZNY-OLZOCXBDSA-N -1 3 374.405 0.129 20 50 FCGDHM COc1ncc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1C(N)=O ZINC000826222199 608816793 /nfs/dbraw/zinc/81/67/93/608816793.db2.gz NNJBHSFPCUWLSJ-UHFFFAOYSA-N -1 3 369.345 0.518 20 50 FCGDHM COc1ncc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1C(N)=O ZINC000826222199 608816797 /nfs/dbraw/zinc/81/67/97/608816797.db2.gz NNJBHSFPCUWLSJ-UHFFFAOYSA-N -1 3 369.345 0.518 20 50 FCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@H]1CCO[C@H]1C ZINC000824739346 608882170 /nfs/dbraw/zinc/88/21/70/608882170.db2.gz WHCVDBPAKBNCIK-KWBADKCTSA-N -1 3 360.374 0.206 20 50 FCGDHM N#CCc1ccccc1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826382524 609183974 /nfs/dbraw/zinc/18/39/74/609183974.db2.gz IDFBMOIHRCMDMH-UHFFFAOYSA-N -1 3 361.365 0.936 20 50 FCGDHM N#CCc1ccccc1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826382524 609183975 /nfs/dbraw/zinc/18/39/75/609183975.db2.gz IDFBMOIHRCMDMH-UHFFFAOYSA-N -1 3 361.365 0.936 20 50 FCGDHM O=C(NCc1ccco1)NNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826443272 609214159 /nfs/dbraw/zinc/21/41/59/609214159.db2.gz ISBJSFBGOILVOS-LBPRGKRZSA-N -1 3 357.330 0.024 20 50 FCGDHM O=C(NCc1ccco1)NNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826443272 609214160 /nfs/dbraw/zinc/21/41/60/609214160.db2.gz ISBJSFBGOILVOS-LBPRGKRZSA-N -1 3 357.330 0.024 20 50 FCGDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NNc1ccnc(F)c1 ZINC000826174901 609300939 /nfs/dbraw/zinc/30/09/39/609300939.db2.gz MVABELVHSQIIIR-UHFFFAOYSA-N -1 3 359.321 0.932 20 50 FCGDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NNc1ccnc(F)c1 ZINC000826174901 609300940 /nfs/dbraw/zinc/30/09/40/609300940.db2.gz MVABELVHSQIIIR-UHFFFAOYSA-N -1 3 359.321 0.932 20 50 FCGDHM COC[C@H](CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)OC ZINC000826149185 609311507 /nfs/dbraw/zinc/31/15/07/609311507.db2.gz BFEINHPFHIOPBW-YFTXEMMHSA-N -1 3 359.390 0.198 20 50 FCGDHM COC[C@H](CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)OC ZINC000826149185 609311508 /nfs/dbraw/zinc/31/15/08/609311508.db2.gz BFEINHPFHIOPBW-YFTXEMMHSA-N -1 3 359.390 0.198 20 50 FCGDHM C[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1F ZINC000824953221 609373953 /nfs/dbraw/zinc/37/39/53/609373953.db2.gz CRQRDGUIMMAYCP-MFKMUULPSA-N -1 3 361.381 0.308 20 50 FCGDHM C[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1F ZINC000824953221 609373954 /nfs/dbraw/zinc/37/39/54/609373954.db2.gz CRQRDGUIMMAYCP-MFKMUULPSA-N -1 3 361.381 0.308 20 50 FCGDHM Cc1ccc(C)c(OCC(=O)NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000826284684 609408544 /nfs/dbraw/zinc/40/85/44/609408544.db2.gz BFFNOJNOUXHYDS-UHFFFAOYSA-N -1 3 355.358 0.652 20 50 FCGDHM Cc1ccc(C)c(OCC(=O)NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000826284684 609408546 /nfs/dbraw/zinc/40/85/46/609408546.db2.gz BFFNOJNOUXHYDS-UHFFFAOYSA-N -1 3 355.358 0.652 20 50 FCGDHM O=C(CN1CCCc2ccccc21)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826411453 609410072 /nfs/dbraw/zinc/41/00/72/609410072.db2.gz YWDFAGYEVZLMBF-UHFFFAOYSA-N -1 3 366.385 0.409 20 50 FCGDHM O=C(CN1CCCc2ccccc21)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826411453 609410075 /nfs/dbraw/zinc/41/00/75/609410075.db2.gz YWDFAGYEVZLMBF-UHFFFAOYSA-N -1 3 366.385 0.409 20 50 FCGDHM C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824738423 609410407 /nfs/dbraw/zinc/41/04/07/609410407.db2.gz OTTOQDADRCHDOQ-MRVPVSSYSA-N -1 3 359.321 0.562 20 50 FCGDHM C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824738423 609410409 /nfs/dbraw/zinc/41/04/09/609410409.db2.gz OTTOQDADRCHDOQ-MRVPVSSYSA-N -1 3 359.321 0.562 20 50 FCGDHM Cc1cnc([C@@H](C)NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826317510 609445141 /nfs/dbraw/zinc/44/51/41/609445141.db2.gz FRAARGJWUAMCHC-SECBINFHSA-N -1 3 356.346 0.868 20 50 FCGDHM Cc1cnc([C@@H](C)NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826317510 609445143 /nfs/dbraw/zinc/44/51/43/609445143.db2.gz FRAARGJWUAMCHC-SECBINFHSA-N -1 3 356.346 0.868 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H](CO)c1ccccc1 ZINC000826445365 609446545 /nfs/dbraw/zinc/44/65/45/609446545.db2.gz QXAJXAHCWVAYPG-CQSZACIVSA-N -1 3 367.369 0.544 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H](CO)c1ccccc1 ZINC000826445365 609446547 /nfs/dbraw/zinc/44/65/47/609446547.db2.gz QXAJXAHCWVAYPG-CQSZACIVSA-N -1 3 367.369 0.544 20 50 FCGDHM Cc1n[nH]c(=O)c(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000737452252 945070264 /nfs/dbraw/zinc/07/02/64/945070264.db2.gz DWPLYIKRRDLSSP-UHFFFAOYSA-N -1 3 354.330 0.054 20 50 FCGDHM Cc1n[nH]c(=O)c(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000737452252 945070273 /nfs/dbraw/zinc/07/02/73/945070273.db2.gz DWPLYIKRRDLSSP-UHFFFAOYSA-N -1 3 354.330 0.054 20 50 FCGDHM N#Cc1ccc([C@@H](NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C(N)=O)cc1 ZINC000737711934 945114606 /nfs/dbraw/zinc/11/46/06/945114606.db2.gz NIFMKDCWOLHMEH-CQSZACIVSA-N -1 3 362.353 0.199 20 50 FCGDHM N#Cc1ccc([C@@H](NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C(N)=O)cc1 ZINC000737711934 945114623 /nfs/dbraw/zinc/11/46/23/945114623.db2.gz NIFMKDCWOLHMEH-CQSZACIVSA-N -1 3 362.353 0.199 20 50 FCGDHM O=C(CCOC[C@@H]1CCCO1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737848023 945135907 /nfs/dbraw/zinc/13/59/07/945135907.db2.gz NQUPAKIUWOCVRH-ZDUSSCGKSA-N -1 3 360.374 0.213 20 50 FCGDHM O=C(CCOC[C@@H]1CCCO1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737848023 945135914 /nfs/dbraw/zinc/13/59/14/945135914.db2.gz NQUPAKIUWOCVRH-ZDUSSCGKSA-N -1 3 360.374 0.213 20 50 FCGDHM O=C(Cc1ccc2c(c1)OCO2)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737965663 945166915 /nfs/dbraw/zinc/16/69/15/945166915.db2.gz COPKHWNCGAHNMD-UHFFFAOYSA-N -1 3 366.337 0.599 20 50 FCGDHM O=C(Cc1ccc2c(c1)OCO2)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737965663 945166919 /nfs/dbraw/zinc/16/69/19/945166919.db2.gz COPKHWNCGAHNMD-UHFFFAOYSA-N -1 3 366.337 0.599 20 50 FCGDHM O=C(Cc1ccccn1)NNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737973688 945168287 /nfs/dbraw/zinc/16/82/87/945168287.db2.gz FVIKVYHXFVZZKG-UHFFFAOYSA-N -1 3 354.399 0.822 20 50 FCGDHM O=C(Cc1ccccn1)NNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737973688 945168291 /nfs/dbraw/zinc/16/82/91/945168291.db2.gz FVIKVYHXFVZZKG-UHFFFAOYSA-N -1 3 354.399 0.822 20 50 FCGDHM O=C(NC[C@H](O)C1CCCCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738039913 945175801 /nfs/dbraw/zinc/17/58/01/945175801.db2.gz NVNRCNJRWKKAHX-AWEZNQCLSA-N -1 3 373.417 0.752 20 50 FCGDHM O=C(NC[C@H](O)C1CCCCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738039913 945175808 /nfs/dbraw/zinc/17/58/08/945175808.db2.gz NVNRCNJRWKKAHX-AWEZNQCLSA-N -1 3 373.417 0.752 20 50 FCGDHM O=C(NNS(=O)(=O)N1CCCCCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134026 945214729 /nfs/dbraw/zinc/21/47/29/945214729.db2.gz CVFKABJEJJTPCV-UHFFFAOYSA-N -1 3 365.419 0.222 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1csc2cncn21 ZINC000738134116 945214996 /nfs/dbraw/zinc/21/49/96/945214996.db2.gz FQCLQPKQPSBBFQ-UHFFFAOYSA-N -1 3 354.355 0.651 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1csc2cncn21 ZINC000738134116 945215003 /nfs/dbraw/zinc/21/50/03/945215003.db2.gz FQCLQPKQPSBBFQ-UHFFFAOYSA-N -1 3 354.355 0.651 20 50 FCGDHM O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738134296 945219218 /nfs/dbraw/zinc/21/92/18/945219218.db2.gz KAXRUYVBAPBWSI-UHFFFAOYSA-N -1 3 354.286 0.245 20 50 FCGDHM C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000819883316 945305306 /nfs/dbraw/zinc/30/53/06/945305306.db2.gz HDKXHXQIZPRMON-JTQLQIEISA-N -1 3 374.401 0.853 20 50 FCGDHM C[C@@H](C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000819883316 945305315 /nfs/dbraw/zinc/30/53/15/945305315.db2.gz HDKXHXQIZPRMON-JTQLQIEISA-N -1 3 374.401 0.853 20 50 FCGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cc(C(N)=O)n(C)c1 ZINC000735446776 944652766 /nfs/dbraw/zinc/65/27/66/944652766.db2.gz FYXAFBQVGRRPGZ-UHFFFAOYSA-N -1 3 352.358 0.458 20 50 FCGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cc(C(N)=O)n(C)c1 ZINC000735446776 944652774 /nfs/dbraw/zinc/65/27/74/944652774.db2.gz FYXAFBQVGRRPGZ-UHFFFAOYSA-N -1 3 352.358 0.458 20 50 FCGDHM CC(C)C[C@H]1COCCN1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735794896 944701567 /nfs/dbraw/zinc/70/15/67/944701567.db2.gz HNCMEKBHCDAYQU-AWEZNQCLSA-N -1 3 373.417 0.968 20 50 FCGDHM CC(C)C[C@H]1COCCN1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735794896 944701575 /nfs/dbraw/zinc/70/15/75/944701575.db2.gz HNCMEKBHCDAYQU-AWEZNQCLSA-N -1 3 373.417 0.968 20 50 FCGDHM CC(C)OCCCN(C)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735895492 944711622 /nfs/dbraw/zinc/71/16/22/944711622.db2.gz AVBJBBHXQXSKTD-UHFFFAOYSA-N -1 3 361.406 0.968 20 50 FCGDHM CC(C)OCCCN(C)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735895492 944711628 /nfs/dbraw/zinc/71/16/28/944711628.db2.gz AVBJBBHXQXSKTD-UHFFFAOYSA-N -1 3 361.406 0.968 20 50 FCGDHM C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736262522 944779932 /nfs/dbraw/zinc/77/99/32/944779932.db2.gz NDXOYTNAOYPVOF-MFKMUULPSA-N -1 3 359.390 0.765 20 50 FCGDHM CCC1CC(=O)C(=CNNC(=O)c2cccc(-c3nnn[n-]3)c2)C(=O)C1 ZINC000736395182 944813646 /nfs/dbraw/zinc/81/36/46/944813646.db2.gz IGFGFXCVWATCAP-UHFFFAOYSA-N -1 3 354.370 0.943 20 50 FCGDHM CCC1CC(=O)C(=CNNC(=O)c2cccc(-c3nn[n-]n3)c2)C(=O)C1 ZINC000736395182 944813654 /nfs/dbraw/zinc/81/36/54/944813654.db2.gz IGFGFXCVWATCAP-UHFFFAOYSA-N -1 3 354.370 0.943 20 50 FCGDHM CCn1cc(NC(=S)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000736722232 944879570 /nfs/dbraw/zinc/87/95/70/944879570.db2.gz IYJMMOXBWDLDJP-UHFFFAOYSA-N -1 3 357.403 0.715 20 50 FCGDHM CCn1cc(NC(=S)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000736722232 944879571 /nfs/dbraw/zinc/87/95/71/944879571.db2.gz IYJMMOXBWDLDJP-UHFFFAOYSA-N -1 3 357.403 0.715 20 50 FCGDHM CNC(=O)NNC(=O)c1cc(C)n(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736878261 944903139 /nfs/dbraw/zinc/90/31/39/944903139.db2.gz BOCFONBTWYMHIE-UHFFFAOYSA-N -1 3 354.374 0.848 20 50 FCGDHM COC(=O)N[C@H](C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)C ZINC000736935978 944914942 /nfs/dbraw/zinc/91/49/42/944914942.db2.gz MAESYLITPIANFW-NSHDSACASA-N -1 3 361.362 0.008 20 50 FCGDHM COC(=O)N[C@H](C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000736935978 944914952 /nfs/dbraw/zinc/91/49/52/944914952.db2.gz MAESYLITPIANFW-NSHDSACASA-N -1 3 361.362 0.008 20 50 FCGDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NNc1cccnn1 ZINC000737031705 944938532 /nfs/dbraw/zinc/93/85/32/944938532.db2.gz BXGKZPFVCVHXGZ-UHFFFAOYSA-N -1 3 370.373 0.968 20 50 FCGDHM COc1ccc(C=NNC(=O)c2sc(N)nc2C)cc1-c1nnn[n-]1 ZINC000737081139 944952051 /nfs/dbraw/zinc/95/20/51/944952051.db2.gz KXTLMIMNXVIAGT-UHFFFAOYSA-N -1 3 358.387 0.986 20 50 FCGDHM COc1ccc(C=NNC(=O)c2sc(N)nc2C)cc1-c1nn[n-]n1 ZINC000737081139 944952055 /nfs/dbraw/zinc/95/20/55/944952055.db2.gz KXTLMIMNXVIAGT-UHFFFAOYSA-N -1 3 358.387 0.986 20 50 FCGDHM CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737161901 944972380 /nfs/dbraw/zinc/97/23/80/944972380.db2.gz NLRXNKSORCPXGP-ZDUSSCGKSA-N -1 3 362.415 0.940 20 50 FCGDHM CS(=O)(=O)[C@H]1CCCCC1=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737161901 944972388 /nfs/dbraw/zinc/97/23/88/944972388.db2.gz NLRXNKSORCPXGP-ZDUSSCGKSA-N -1 3 362.415 0.940 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCC[S@](C)=O)cc(-c2nnn[n-]2)n1C ZINC000737211370 944984401 /nfs/dbraw/zinc/98/44/01/944984401.db2.gz BWISTGBHFPBIST-VWFRCSCGSA-N -1 3 361.431 0.305 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCC[S@](C)=O)cc(-c2nn[n-]n2)n1C ZINC000737211370 944984404 /nfs/dbraw/zinc/98/44/04/944984404.db2.gz BWISTGBHFPBIST-VWFRCSCGSA-N -1 3 361.431 0.305 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)CCn2cccn2)cc(-c2nn[n-]n2)n1C ZINC000737211523 944985331 /nfs/dbraw/zinc/98/53/31/944985331.db2.gz CENLDNIGJVQZFL-ZROIWOOFSA-N -1 3 365.401 0.776 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCO[C@H](C#N)C2)cc(-c2nnn[n-]2)n1C ZINC000737212089 944991232 /nfs/dbraw/zinc/99/12/32/944991232.db2.gz HRDNRINCAMCBLB-QWGHSUKYSA-N -1 3 352.358 0.172 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCO[C@H](C#N)C2)cc(-c2nn[n-]n2)n1C ZINC000737212089 944991235 /nfs/dbraw/zinc/99/12/35/944991235.db2.gz HRDNRINCAMCBLB-QWGHSUKYSA-N -1 3 352.358 0.172 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2nncn2C)cc(-c2nnn[n-]2)n1C ZINC000737213704 945006189 /nfs/dbraw/zinc/00/61/89/945006189.db2.gz VZZFJVMZDKVYPK-NRIUJFNNSA-N -1 3 366.389 0.427 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2nncn2C)cc(-c2nn[n-]n2)n1C ZINC000737213704 945006204 /nfs/dbraw/zinc/00/62/04/945006204.db2.gz VZZFJVMZDKVYPK-NRIUJFNNSA-N -1 3 366.389 0.427 20 50 FCGDHM Cc1cc(C)n(CC(=O)NN=Cc2cnc3ccc(-c4nnn[n-]4)cn23)n1 ZINC000737254263 945023520 /nfs/dbraw/zinc/02/35/20/945023520.db2.gz BRONHZJUXKUWGV-UHFFFAOYSA-N -1 3 364.373 0.478 20 50 FCGDHM Cc1cc(C)n(CC(=O)NN=Cc2cnc3ccc(-c4nn[n-]n4)cn23)n1 ZINC000737254263 945023530 /nfs/dbraw/zinc/02/35/30/945023530.db2.gz BRONHZJUXKUWGV-UHFFFAOYSA-N -1 3 364.373 0.478 20 50 FCGDHM CC(C)c1noc(OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820211506 945384524 /nfs/dbraw/zinc/38/45/24/945384524.db2.gz PPENBFXREYMEAD-UHFFFAOYSA-N -1 3 372.345 0.213 20 50 FCGDHM CC(C)c1noc(OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820211506 945384536 /nfs/dbraw/zinc/38/45/36/945384536.db2.gz PPENBFXREYMEAD-UHFFFAOYSA-N -1 3 372.345 0.213 20 50 FCGDHM C[C@@](O)(CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000820467919 945460191 /nfs/dbraw/zinc/46/01/91/945460191.db2.gz OTXNUBOBDPZMRV-MRXNPFEDSA-N -1 3 371.357 0.311 20 50 FCGDHM C[C@@](O)(CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000820467919 945460193 /nfs/dbraw/zinc/46/01/93/945460193.db2.gz OTXNUBOBDPZMRV-MRXNPFEDSA-N -1 3 371.357 0.311 20 50 FCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@@H]1CCCCO1 ZINC000820529148 945474360 /nfs/dbraw/zinc/47/43/60/945474360.db2.gz PIWQJPWVHBBFHO-GWCFXTLKSA-N -1 3 360.374 0.351 20 50 FCGDHM CCC[C@H](NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)C(=O)OCC ZINC000821020718 945613398 /nfs/dbraw/zinc/61/33/98/945613398.db2.gz HBQNYPDNSYOZCP-ZDUSSCGKSA-N -1 3 362.390 0.598 20 50 FCGDHM CCNC(=O)C1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000821276401 945664818 /nfs/dbraw/zinc/66/48/18/945664818.db2.gz KVIRHSLCEVFLDP-XGICHPGQSA-N -1 3 368.401 0.015 20 50 FCGDHM CCNC(=O)C1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000821276401 945664821 /nfs/dbraw/zinc/66/48/21/945664821.db2.gz KVIRHSLCEVFLDP-XGICHPGQSA-N -1 3 368.401 0.015 20 50 FCGDHM CCOC1CCN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821367312 945681856 /nfs/dbraw/zinc/68/18/56/945681856.db2.gz GFOGLEFCERLJLQ-UHFFFAOYSA-N -1 3 373.417 0.129 20 50 FCGDHM CCOC1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821367312 945681859 /nfs/dbraw/zinc/68/18/59/945681859.db2.gz GFOGLEFCERLJLQ-UHFFFAOYSA-N -1 3 373.417 0.129 20 50 FCGDHM CNC(=O)[C@@H](C)CN(C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821629819 945757776 /nfs/dbraw/zinc/75/77/76/945757776.db2.gz CJDJYABZQMQWMM-MBGMWABPSA-N -1 3 370.417 0.261 20 50 FCGDHM CNC(=O)[C@@H](C)CN(C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821629819 945757779 /nfs/dbraw/zinc/75/77/79/945757779.db2.gz CJDJYABZQMQWMM-MBGMWABPSA-N -1 3 370.417 0.261 20 50 FCGDHM COc1cc(OC)cc(C(=O)NNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000821724022 945849742 /nfs/dbraw/zinc/84/97/42/945849742.db2.gz OFLPZJFBFXPGCF-UHFFFAOYSA-N -1 3 357.330 0.287 20 50 FCGDHM COc1cc(OC)cc(C(=O)NNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000821724022 945849754 /nfs/dbraw/zinc/84/97/54/945849754.db2.gz OFLPZJFBFXPGCF-UHFFFAOYSA-N -1 3 357.330 0.287 20 50 FCGDHM COc1ccc(NCC(=O)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000821835728 945880570 /nfs/dbraw/zinc/88/05/70/945880570.db2.gz QJSHWQRBMSZUFW-UHFFFAOYSA-N -1 3 370.373 0.087 20 50 FCGDHM COc1ccc(NCC(=O)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000821835728 945880574 /nfs/dbraw/zinc/88/05/74/945880574.db2.gz QJSHWQRBMSZUFW-UHFFFAOYSA-N -1 3 370.373 0.087 20 50 FCGDHM COc1ccc(NNC(=O)c2ccc(-c3nnn[n-]3)cn2)c([N+](=O)[O-])c1 ZINC000821837683 945880607 /nfs/dbraw/zinc/88/06/07/945880607.db2.gz FQFHAMJYQWNMGR-UHFFFAOYSA-N -1 3 356.302 0.935 20 50 FCGDHM COc1ccc(NNC(=O)c2ccc(-c3nn[n-]n3)cn2)c([N+](=O)[O-])c1 ZINC000821837683 945880617 /nfs/dbraw/zinc/88/06/17/945880617.db2.gz FQFHAMJYQWNMGR-UHFFFAOYSA-N -1 3 356.302 0.935 20 50 FCGDHM Cc1[nH]ccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822010009 945920911 /nfs/dbraw/zinc/92/09/11/945920911.db2.gz JWYLLZLDXBSTSX-UHFFFAOYSA-N -1 3 369.341 0.121 20 50 FCGDHM Cc1[nH]ccc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822010009 945920924 /nfs/dbraw/zinc/92/09/24/945920924.db2.gz JWYLLZLDXBSTSX-UHFFFAOYSA-N -1 3 369.341 0.121 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000822020697 945923066 /nfs/dbraw/zinc/92/30/66/945923066.db2.gz HDNDFVDLTVLQRY-JVXNRYDGSA-N -1 3 355.402 0.916 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000822020697 945923072 /nfs/dbraw/zinc/92/30/72/945923072.db2.gz HDNDFVDLTVLQRY-JVXNRYDGSA-N -1 3 355.402 0.916 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCN(CC#N)CC2)cc(-c2nnn[n-]2)n1C ZINC000822029119 945951095 /nfs/dbraw/zinc/95/10/95/945951095.db2.gz VUAOBONYROXRKK-NTEUORMPSA-N -1 3 365.401 0.088 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCN(CC#N)CC2)cc(-c2nn[n-]n2)n1C ZINC000822029119 945951101 /nfs/dbraw/zinc/95/11/01/945951101.db2.gz VUAOBONYROXRKK-NTEUORMPSA-N -1 3 365.401 0.088 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)CC(C)C)cc(-c2nnn[n-]2)n1C ZINC000822029254 945952437 /nfs/dbraw/zinc/95/24/37/945952437.db2.gz WQZOMUGCSKIUHA-BLXFFLACSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)CC(C)C)cc(-c2nn[n-]n2)n1C ZINC000822029254 945952443 /nfs/dbraw/zinc/95/24/43/945952443.db2.gz WQZOMUGCSKIUHA-BLXFFLACSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@](C)(O)C(C)C)cc(-c2nnn[n-]2)n1C ZINC000822029427 945955027 /nfs/dbraw/zinc/95/50/27/945955027.db2.gz YOOOTPHCHMYVQH-SDTVSMOJSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@](C)(O)C(C)C)cc(-c2nn[n-]n2)n1C ZINC000822029427 945955032 /nfs/dbraw/zinc/95/50/32/945955032.db2.gz YOOOTPHCHMYVQH-SDTVSMOJSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c[nH]cc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822130458 945964379 /nfs/dbraw/zinc/96/43/79/945964379.db2.gz TWRCTJUSOCRGCM-UHFFFAOYSA-N -1 3 369.341 0.121 20 50 FCGDHM Cc1c[nH]cc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822130458 945964386 /nfs/dbraw/zinc/96/43/86/945964386.db2.gz TWRCTJUSOCRGCM-UHFFFAOYSA-N -1 3 369.341 0.121 20 50 FCGDHM Cc1c[nH]cc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822130635 945964434 /nfs/dbraw/zinc/96/44/34/945964434.db2.gz XWVSAQLHQJXQCJ-UHFFFAOYSA-N -1 3 369.341 0.121 20 50 FCGDHM Cc1c[nH]cc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822130635 945964442 /nfs/dbraw/zinc/96/44/42/945964442.db2.gz XWVSAQLHQJXQCJ-UHFFFAOYSA-N -1 3 369.341 0.121 20 50 FCGDHM Cc1cc(C)cc(OCC(=O)NNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000822197671 945981648 /nfs/dbraw/zinc/98/16/48/945981648.db2.gz KJLJSJNADPEYOH-UHFFFAOYSA-N -1 3 355.358 0.652 20 50 FCGDHM Cc1cc(C)cc(OCC(=O)NNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822197671 945981656 /nfs/dbraw/zinc/98/16/56/945981656.db2.gz KJLJSJNADPEYOH-UHFFFAOYSA-N -1 3 355.358 0.652 20 50 FCGDHM Cc1ccc(OCC(=O)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000822262659 946037359 /nfs/dbraw/zinc/03/73/59/946037359.db2.gz CQRNKKTZQHMVSR-UHFFFAOYSA-N -1 3 355.358 0.354 20 50 FCGDHM Cc1ccc(OCC(=O)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000822262659 946037372 /nfs/dbraw/zinc/03/73/72/946037372.db2.gz CQRNKKTZQHMVSR-UHFFFAOYSA-N -1 3 355.358 0.354 20 50 FCGDHM Cc1ccoc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822379596 946077268 /nfs/dbraw/zinc/07/72/68/946077268.db2.gz QHZYHFBNRRDXFM-UHFFFAOYSA-N -1 3 370.325 0.386 20 50 FCGDHM Cc1ccoc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822379596 946077280 /nfs/dbraw/zinc/07/72/80/946077280.db2.gz QHZYHFBNRRDXFM-UHFFFAOYSA-N -1 3 370.325 0.386 20 50 FCGDHM Cc1nncn1CCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000822519228 946112060 /nfs/dbraw/zinc/11/20/60/946112060.db2.gz CIMBQLMDQIBOLR-MLPAPPSSSA-N -1 3 366.389 0.137 20 50 FCGDHM Cc1nncn1CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000822519228 946112069 /nfs/dbraw/zinc/11/20/69/946112069.db2.gz CIMBQLMDQIBOLR-MLPAPPSSSA-N -1 3 366.389 0.137 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)CCCc1ccccc1 ZINC000822645900 946147706 /nfs/dbraw/zinc/14/77/06/946147706.db2.gz VOULXQGDBDAMAB-UHFFFAOYSA-N -1 3 353.386 0.989 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)CCCc1ccccc1 ZINC000822645900 946147709 /nfs/dbraw/zinc/14/77/09/946147709.db2.gz VOULXQGDBDAMAB-UHFFFAOYSA-N -1 3 353.386 0.989 20 50 FCGDHM O=C(/C=C\C1CC1)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823017707 946268597 /nfs/dbraw/zinc/26/85/97/946268597.db2.gz CCXLIYRBDQINIG-SREVYHEPSA-N -1 3 356.342 0.137 20 50 FCGDHM O=C(/C=C\C1CC1)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823017707 946268604 /nfs/dbraw/zinc/26/86/04/946268604.db2.gz CCXLIYRBDQINIG-SREVYHEPSA-N -1 3 356.342 0.137 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)C[C@@H]1CCCCO1 ZINC000823036945 946287656 /nfs/dbraw/zinc/28/76/56/946287656.db2.gz NGWUIKIJPPOVQE-ZDUSSCGKSA-N -1 3 360.374 0.352 20 50 FCGDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NN=c1nc[nH]c2[nH]cnc21 ZINC000823043878 946292263 /nfs/dbraw/zinc/29/22/63/946292263.db2.gz KRZYNKUAJLPIAK-UHFFFAOYSA-N -1 3 352.318 0.055 20 50 FCGDHM O=C(CSc1cnccn1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823070896 946302606 /nfs/dbraw/zinc/30/26/06/946302606.db2.gz UHNIIIKAZXWYQD-UHFFFAOYSA-N -1 3 356.371 0.210 20 50 FCGDHM O=C(CSc1cnccn1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823070896 946302615 /nfs/dbraw/zinc/30/26/15/946302615.db2.gz UHNIIIKAZXWYQD-UHFFFAOYSA-N -1 3 356.371 0.210 20 50 FCGDHM O=C(Cc1ccc(-c2nnn[n-]2)cc1)NNC(=S)Nc1ccccn1 ZINC000823078947 946305046 /nfs/dbraw/zinc/30/50/46/946305046.db2.gz YPUFICDURTYYTA-UHFFFAOYSA-N -1 3 354.399 0.822 20 50 FCGDHM O=C(Cc1ccc(-c2nn[n-]n2)cc1)NNC(=S)Nc1ccccn1 ZINC000823078947 946305058 /nfs/dbraw/zinc/30/50/58/946305058.db2.gz YPUFICDURTYYTA-UHFFFAOYSA-N -1 3 354.399 0.822 20 50 FCGDHM O=C(NC[C@@H]1CCCS1(=O)=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823176789 946338386 /nfs/dbraw/zinc/33/83/86/946338386.db2.gz YQSQMYXHSQTWJZ-NSHDSACASA-N -1 3 351.392 0.070 20 50 FCGDHM O=C(NC[C@@H]1CCCS1(=O)=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823176789 946338394 /nfs/dbraw/zinc/33/83/94/946338394.db2.gz YQSQMYXHSQTWJZ-NSHDSACASA-N -1 3 351.392 0.070 20 50 FCGDHM COc1cccc(NCC(=O)NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c1 ZINC000826217028 947636796 /nfs/dbraw/zinc/63/67/96/947636796.db2.gz WTIIAJUNCIMTGX-UHFFFAOYSA-N -1 3 356.346 0.077 20 50 FCGDHM COc1cccc(NCC(=O)NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c1 ZINC000826217028 947636801 /nfs/dbraw/zinc/63/68/01/947636801.db2.gz WTIIAJUNCIMTGX-UHFFFAOYSA-N -1 3 356.346 0.077 20 50 FCGDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826424466 607348272 /nfs/dbraw/zinc/34/82/72/607348272.db2.gz NHQBGYBQRIEHOX-UHFFFAOYSA-N -1 3 356.302 0.080 20 50 FCGDHM CN1C(=O)c2ccc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)cc2C1=O ZINC000826018229 607346791 /nfs/dbraw/zinc/34/67/91/607346791.db2.gz RVLWVIJQKAIVAE-UHFFFAOYSA-N -1 3 363.337 0.849 20 50 FCGDHM CN(C)C(=O)N1CCC(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825845857 607351517 /nfs/dbraw/zinc/35/15/17/607351517.db2.gz NANFYUFRLSOOOY-UHFFFAOYSA-N -1 3 358.406 0.703 20 50 FCGDHM CC(C)(C(=O)NNc1ccc(-c2nn[n-]n2)cc1)n1cc([N+](=O)[O-])cn1 ZINC000824064515 607356100 /nfs/dbraw/zinc/35/61/00/607356100.db2.gz JYZUKYFVGYTMOC-UHFFFAOYSA-N -1 3 357.334 0.850 20 50 FCGDHM CC1(C)NC(=O)N(CCCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824812121 607354640 /nfs/dbraw/zinc/35/46/40/607354640.db2.gz JKJWTJPQZJSGMI-UHFFFAOYSA-N -1 3 372.389 0.420 20 50 FCGDHM Cn1cc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c2ccccc21 ZINC000826359058 607686237 /nfs/dbraw/zinc/68/62/37/607686237.db2.gz TZLXFOFGNNOIQG-UHFFFAOYSA-N -1 3 350.342 0.761 20 50 FCGDHM Cn1cc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c2ccccc21 ZINC000826359058 607686239 /nfs/dbraw/zinc/68/62/39/607686239.db2.gz TZLXFOFGNNOIQG-UHFFFAOYSA-N -1 3 350.342 0.761 20 50 FCGDHM O=C(Cc1csc(-c2nc[nH]n2)n1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826424159 607714027 /nfs/dbraw/zinc/71/40/27/607714027.db2.gz YFZRYYBZBHYCPM-UHFFFAOYSA-N -1 3 368.386 0.794 20 50 FCGDHM CC(C)CS(=O)(=O)CCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824271147 607716409 /nfs/dbraw/zinc/71/64/09/607716409.db2.gz LHVPUMCBLNJGPX-UHFFFAOYSA-N -1 3 352.420 0.771 20 50 FCGDHM CC(C)CS(=O)(=O)CCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824271147 607716411 /nfs/dbraw/zinc/71/64/11/607716411.db2.gz LHVPUMCBLNJGPX-UHFFFAOYSA-N -1 3 352.420 0.771 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000826448332 607718454 /nfs/dbraw/zinc/71/84/54/607718454.db2.gz QZLKMWTWPOROBU-VHSXEESVSA-N -1 3 369.307 0.767 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000826448332 607718456 /nfs/dbraw/zinc/71/84/56/607718456.db2.gz QZLKMWTWPOROBU-VHSXEESVSA-N -1 3 369.307 0.767 20 50 FCGDHM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409759 607730342 /nfs/dbraw/zinc/73/03/42/607730342.db2.gz NYFDNJGOAYETTP-BETUJISGSA-N -1 3 369.385 0.485 20 50 FCGDHM O=C(CN1C(=O)[C@@H]2CCCC[C@@H]2C1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409759 607730344 /nfs/dbraw/zinc/73/03/44/607730344.db2.gz NYFDNJGOAYETTP-BETUJISGSA-N -1 3 369.385 0.485 20 50 FCGDHM O=C(Cn1nnc(-c2ccccc2)n1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826425411 607732023 /nfs/dbraw/zinc/73/20/23/607732023.db2.gz BYWKYSIEHQRICZ-UHFFFAOYSA-N -1 3 362.357 0.664 20 50 FCGDHM O=C(Cn1nnc(-c2ccccc2)n1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826425411 607732024 /nfs/dbraw/zinc/73/20/24/607732024.db2.gz BYWKYSIEHQRICZ-UHFFFAOYSA-N -1 3 362.357 0.664 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCC1(C2CC2)CC1 ZINC000826417239 607782684 /nfs/dbraw/zinc/78/26/84/607782684.db2.gz JOUDBUGOYNCKHW-UHFFFAOYSA-N -1 3 371.401 0.766 20 50 FCGDHM Cc1ccc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[nH]n3)cc2)nc1 ZINC000826281854 607793260 /nfs/dbraw/zinc/79/32/60/607793260.db2.gz MNIJDMFKHCCBPQ-UHFFFAOYSA-N -1 3 353.342 0.410 20 50 FCGDHM CC[C@@H]1CO[C@H](C)CN1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825218007 607921434 /nfs/dbraw/zinc/92/14/34/607921434.db2.gz AEWGZZSJFFZPPL-BXUZGUMPSA-N -1 3 373.417 0.127 20 50 FCGDHM CC[C@@H]1CO[C@H](C)CN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825218007 607921435 /nfs/dbraw/zinc/92/14/35/607921435.db2.gz AEWGZZSJFFZPPL-BXUZGUMPSA-N -1 3 373.417 0.127 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cncc(N2CCOCC2)c1 ZINC000826447519 607943455 /nfs/dbraw/zinc/94/34/55/607943455.db2.gz JQNZMVYHYBTUQP-UHFFFAOYSA-N -1 3 366.385 0.855 20 50 FCGDHM Cc1c(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cnn1C ZINC000826236673 607979882 /nfs/dbraw/zinc/97/98/82/607979882.db2.gz XHHHDIBNRMIBPR-UHFFFAOYSA-N -1 3 355.362 0.053 20 50 FCGDHM Cc1c(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cnn1C ZINC000826236673 607979883 /nfs/dbraw/zinc/97/98/83/607979883.db2.gz XHHHDIBNRMIBPR-UHFFFAOYSA-N -1 3 355.362 0.053 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)c1ccc[nH]1 ZINC000824498395 608032576 /nfs/dbraw/zinc/03/25/76/608032576.db2.gz GNHBSOCEIVCLQY-SNVBAGLBSA-N -1 3 370.373 0.665 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)c1ccc[nH]1 ZINC000824498395 608032577 /nfs/dbraw/zinc/03/25/77/608032577.db2.gz GNHBSOCEIVCLQY-SNVBAGLBSA-N -1 3 370.373 0.665 20 50 FCGDHM O=C(C=C1CCSCC1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826399678 608220506 /nfs/dbraw/zinc/22/05/06/608220506.db2.gz CFHBLLCCIUGICC-UHFFFAOYSA-N -1 3 374.426 0.846 20 50 FCGDHM O=C(C[C@@H](O)c1cccc(F)c1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826403968 608274813 /nfs/dbraw/zinc/27/48/13/608274813.db2.gz JYGAUCMIVFJKSY-CQSZACIVSA-N -1 3 370.344 0.891 20 50 FCGDHM O=C(C[C@@H](O)c1cccc(F)c1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826403968 608274816 /nfs/dbraw/zinc/27/48/16/608274816.db2.gz JYGAUCMIVFJKSY-CQSZACIVSA-N -1 3 370.344 0.891 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cc1cccnc1 ZINC000825892022 608455107 /nfs/dbraw/zinc/45/51/07/608455107.db2.gz CDXYVKSPMJRJGV-UHFFFAOYSA-N -1 3 366.385 0.155 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cc1cccnc1 ZINC000825892022 608455108 /nfs/dbraw/zinc/45/51/08/608455108.db2.gz CDXYVKSPMJRJGV-UHFFFAOYSA-N -1 3 366.385 0.155 20 50 FCGDHM Cc1ocnc1CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826342377 608536886 /nfs/dbraw/zinc/53/68/86/608536886.db2.gz ICMXIYYZYHNNSW-UHFFFAOYSA-N -1 3 372.345 0.073 20 50 FCGDHM Cc1ocnc1CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826342377 608536887 /nfs/dbraw/zinc/53/68/87/608536887.db2.gz ICMXIYYZYHNNSW-UHFFFAOYSA-N -1 3 372.345 0.073 20 50 FCGDHM CSCCNC(=S)NNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000826228979 608764055 /nfs/dbraw/zinc/76/40/55/608764055.db2.gz JNOBBKSERRTUEK-UHFFFAOYSA-N -1 3 351.461 0.268 20 50 FCGDHM CSCCNC(=S)NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000826228979 608764058 /nfs/dbraw/zinc/76/40/58/608764058.db2.gz JNOBBKSERRTUEK-UHFFFAOYSA-N -1 3 351.461 0.268 20 50 FCGDHM C[C@@](O)(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000824669748 609216287 /nfs/dbraw/zinc/21/62/87/609216287.db2.gz HVKAHMIJSBQILH-GOSISDBHSA-N -1 3 366.381 0.926 20 50 FCGDHM C[C@@](O)(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000824669748 609216288 /nfs/dbraw/zinc/21/62/88/609216288.db2.gz HVKAHMIJSBQILH-GOSISDBHSA-N -1 3 366.381 0.926 20 50 FCGDHM N#Cc1ccc([C@@H](O)C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826385118 609216849 /nfs/dbraw/zinc/21/68/49/609216849.db2.gz XVXGHPJYKFIHEW-CQSZACIVSA-N -1 3 363.337 0.233 20 50 FCGDHM N#Cc1ccc([C@@H](O)C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826385118 609216851 /nfs/dbraw/zinc/21/68/51/609216851.db2.gz XVXGHPJYKFIHEW-CQSZACIVSA-N -1 3 363.337 0.233 20 50 FCGDHM O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826449351 609255032 /nfs/dbraw/zinc/25/50/32/609255032.db2.gz ODIFMQLDISNQKR-ZDUSSCGKSA-N -1 3 355.314 0.952 20 50 FCGDHM O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826449351 609255033 /nfs/dbraw/zinc/25/50/33/609255033.db2.gz ODIFMQLDISNQKR-ZDUSSCGKSA-N -1 3 355.314 0.952 20 50 FCGDHM COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(-c2nnn[n-]2)cc1F ZINC000826160443 609277346 /nfs/dbraw/zinc/27/73/46/609277346.db2.gz RQCOEOAJVBGWKC-JTQLQIEISA-N -1 3 350.354 0.898 20 50 FCGDHM COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(-c2nn[n-]n2)cc1F ZINC000826160443 609277348 /nfs/dbraw/zinc/27/73/48/609277348.db2.gz RQCOEOAJVBGWKC-JTQLQIEISA-N -1 3 350.354 0.898 20 50 FCGDHM Cc1nnc(SCC(=O)NNC(=O)C(C)(C)C)c(-c2nnn[n-]2)c1C ZINC000826337032 609305988 /nfs/dbraw/zinc/30/59/88/609305988.db2.gz ZGQOKYIXLQSULH-UHFFFAOYSA-N -1 3 364.435 0.559 20 50 FCGDHM Cc1nnc(SCC(=O)NNC(=O)C(C)(C)C)c(-c2nn[n-]n2)c1C ZINC000826337032 609305990 /nfs/dbraw/zinc/30/59/90/609305990.db2.gz ZGQOKYIXLQSULH-UHFFFAOYSA-N -1 3 364.435 0.559 20 50 FCGDHM Cc1nc(SCC(=O)NN(C)C(N)=O)c(-c2nnn[n-]2)c(C)c1C ZINC000826327533 609395772 /nfs/dbraw/zinc/39/57/72/609395772.db2.gz LATJESWOYVQWFF-UHFFFAOYSA-N -1 3 350.408 0.321 20 50 FCGDHM Cc1nc(SCC(=O)NN(C)C(N)=O)c(-c2nn[n-]n2)c(C)c1C ZINC000826327533 609395774 /nfs/dbraw/zinc/39/57/74/609395774.db2.gz LATJESWOYVQWFF-UHFFFAOYSA-N -1 3 350.408 0.321 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2ncon2)cc(-c2nnn[n-]2)n1C ZINC000826235404 609395782 /nfs/dbraw/zinc/39/57/82/609395782.db2.gz JIZPUFUODONXLQ-UMWYPWBCSA-N -1 3 353.346 0.681 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](C)c2ncon2)cc(-c2nn[n-]n2)n1C ZINC000826235404 609395784 /nfs/dbraw/zinc/39/57/84/609395784.db2.gz JIZPUFUODONXLQ-UMWYPWBCSA-N -1 3 353.346 0.681 20 50 FCGDHM CC(C)[C@@H]1CN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824223418 609443491 /nfs/dbraw/zinc/44/34/91/609443491.db2.gz IGVNPXBYJAZFEW-ZDUSSCGKSA-N -1 3 359.390 0.578 20 50 FCGDHM CC(C)[C@@H]1CN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824223418 609443493 /nfs/dbraw/zinc/44/34/93/609443493.db2.gz IGVNPXBYJAZFEW-ZDUSSCGKSA-N -1 3 359.390 0.578 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H](CO)C1CCCCC1 ZINC000826445412 609445405 /nfs/dbraw/zinc/44/54/05/609445405.db2.gz SVBBQHLBSYEHMK-CQSZACIVSA-N -1 3 373.417 0.752 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H](CO)C1CCCCC1 ZINC000826445412 609445406 /nfs/dbraw/zinc/44/54/06/609445406.db2.gz SVBBQHLBSYEHMK-CQSZACIVSA-N -1 3 373.417 0.752 20 50 FCGDHM O=C(NN=Cc1cn(Cc2cccnc2)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444493 609467535 /nfs/dbraw/zinc/46/75/35/609467535.db2.gz JGSGDXRDDTVYGF-UHFFFAOYSA-N -1 3 374.368 0.665 20 50 FCGDHM O=C(NN=Cc1cn(Cc2cccnc2)nn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444493 609467537 /nfs/dbraw/zinc/46/75/37/609467537.db2.gz JGSGDXRDDTVYGF-UHFFFAOYSA-N -1 3 374.368 0.665 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CCCOC1 ZINC000824498890 609600921 /nfs/dbraw/zinc/60/09/21/609600921.db2.gz MABIREVNNJYPOQ-GWCFXTLKSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CCCOC1 ZINC000824498890 609600923 /nfs/dbraw/zinc/60/09/23/609600923.db2.gz MABIREVNNJYPOQ-GWCFXTLKSA-N -1 3 359.390 0.626 20 50 FCGDHM CC[C@@H](C)[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825050031 609640768 /nfs/dbraw/zinc/64/07/68/609640768.db2.gz GFRHVRFAITUUKR-MNOVXSKESA-N -1 3 374.401 0.853 20 50 FCGDHM CC[C@@H](C)[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825050031 609640770 /nfs/dbraw/zinc/64/07/70/609640770.db2.gz GFRHVRFAITUUKR-MNOVXSKESA-N -1 3 374.401 0.853 20 50 FCGDHM CC[C@H](C)[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825050035 609640850 /nfs/dbraw/zinc/64/08/50/609640850.db2.gz GFRHVRFAITUUKR-WDEREUQCSA-N -1 3 374.401 0.853 20 50 FCGDHM CC[C@H](C)[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825050035 609640851 /nfs/dbraw/zinc/64/08/51/609640851.db2.gz GFRHVRFAITUUKR-WDEREUQCSA-N -1 3 374.401 0.853 20 50 FCGDHM Cc1ccncc1C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737441856 945067715 /nfs/dbraw/zinc/06/77/15/945067715.db2.gz AOGABPXDGMMTBF-UHFFFAOYSA-N -1 3 353.342 0.410 20 50 FCGDHM Cc1noc([C@@H](C)NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000737533945 945091875 /nfs/dbraw/zinc/09/18/75/945091875.db2.gz LMSYBSBKLSHORU-SSDOTTSWSA-N -1 3 357.334 0.263 20 50 FCGDHM Cc1noc([C@@H](C)NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000737533945 945091881 /nfs/dbraw/zinc/09/18/81/945091881.db2.gz LMSYBSBKLSHORU-SSDOTTSWSA-N -1 3 357.334 0.263 20 50 FCGDHM Cn1cc(CCCNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cn1 ZINC000737600838 945100674 /nfs/dbraw/zinc/10/06/74/945100674.db2.gz AFYFCUSUJYWYOU-UHFFFAOYSA-N -1 3 369.389 0.177 20 50 FCGDHM Cn1cc(CCCNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000737600838 945100678 /nfs/dbraw/zinc/10/06/78/945100678.db2.gz AFYFCUSUJYWYOU-UHFFFAOYSA-N -1 3 369.389 0.177 20 50 FCGDHM O=C(CNc1ccccc1)NNC(=O)COc1cccc(-c2nnn[n-]2)c1 ZINC000737898387 945148420 /nfs/dbraw/zinc/14/84/20/945148420.db2.gz JNRZFFKAWPYONU-UHFFFAOYSA-N -1 3 367.369 0.505 20 50 FCGDHM O=C(CNc1ccccc1)NNC(=O)COc1cccc(-c2nn[n-]n2)c1 ZINC000737898387 945148427 /nfs/dbraw/zinc/14/84/27/945148427.db2.gz JNRZFFKAWPYONU-UHFFFAOYSA-N -1 3 367.369 0.505 20 50 FCGDHM O=C(COc1ccccc1O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737930333 945158467 /nfs/dbraw/zinc/15/84/67/945158467.db2.gz PASLAHRQFCLJSQ-UHFFFAOYSA-N -1 3 354.326 0.412 20 50 FCGDHM O=C(COc1ccccc1O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737930333 945158470 /nfs/dbraw/zinc/15/84/70/945158470.db2.gz PASLAHRQFCLJSQ-UHFFFAOYSA-N -1 3 354.326 0.412 20 50 FCGDHM O=C(CSCc1cccnc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737936129 945162786 /nfs/dbraw/zinc/16/27/86/945162786.db2.gz KRGGCFYQACHCBT-UHFFFAOYSA-N -1 3 369.410 0.956 20 50 FCGDHM O=C(CSCc1cccnc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737936129 945162799 /nfs/dbraw/zinc/16/27/99/945162799.db2.gz KRGGCFYQACHCBT-UHFFFAOYSA-N -1 3 369.410 0.956 20 50 FCGDHM O=C(NCCCN1CCCCC1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000738064448 945180416 /nfs/dbraw/zinc/18/04/16/945180416.db2.gz AYBDWBJRFZIGQC-UHFFFAOYSA-N -1 3 358.406 0.895 20 50 FCGDHM O=C(NCCCN1CCCCC1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000738064448 945180426 /nfs/dbraw/zinc/18/04/26/945180426.db2.gz AYBDWBJRFZIGQC-UHFFFAOYSA-N -1 3 358.406 0.895 20 50 FCGDHM O=C(NCCCOCC1CC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738075979 945183313 /nfs/dbraw/zinc/18/33/13/945183313.db2.gz OCNSZMSAPPLTRZ-UHFFFAOYSA-N -1 3 359.390 0.627 20 50 FCGDHM O=C(NCCCOCC1CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738075979 945183314 /nfs/dbraw/zinc/18/33/14/945183314.db2.gz OCNSZMSAPPLTRZ-UHFFFAOYSA-N -1 3 359.390 0.627 20 50 FCGDHM O=C(NCCc1cccs1)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000738089232 945185525 /nfs/dbraw/zinc/18/55/25/945185525.db2.gz VZLJJGGNZUFYIB-UHFFFAOYSA-N -1 3 358.387 0.510 20 50 FCGDHM O=C(NNC(=O)[C@@H]1Cc2cc(F)ccc2O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738129637 945203285 /nfs/dbraw/zinc/20/32/85/945203285.db2.gz FVALPJDXFILMSE-AWEZNQCLSA-N -1 3 368.328 0.771 20 50 FCGDHM O=C(NNC(=O)[C@@H]1Cc2cc(F)ccc2O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738129637 945203294 /nfs/dbraw/zinc/20/32/94/945203294.db2.gz FVALPJDXFILMSE-AWEZNQCLSA-N -1 3 368.328 0.771 20 50 FCGDHM O=C(NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12)[C@H]1Cc2ccccc2O1 ZINC000738130240 945208501 /nfs/dbraw/zinc/20/85/01/945208501.db2.gz OFDVUSITSQQAGF-OAHLLOKOSA-N -1 3 374.364 0.968 20 50 FCGDHM O=C(NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12)[C@H]1Cc2ccccc2O1 ZINC000738130240 945208506 /nfs/dbraw/zinc/20/85/06/945208506.db2.gz OFDVUSITSQQAGF-OAHLLOKOSA-N -1 3 374.364 0.968 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNc1ccc(F)cn1 ZINC000738136464 945235688 /nfs/dbraw/zinc/23/56/88/945235688.db2.gz LYUAOZWLKKLVGU-UHFFFAOYSA-N -1 3 357.309 0.372 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNc1ccc(F)cn1 ZINC000738136464 945235696 /nfs/dbraw/zinc/23/56/96/945235696.db2.gz LYUAOZWLKKLVGU-UHFFFAOYSA-N -1 3 357.309 0.372 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(=O)Nc1ccccc1 ZINC000738136475 945236824 /nfs/dbraw/zinc/23/68/24/945236824.db2.gz MIGZYMZXSZJIFI-UHFFFAOYSA-N -1 3 351.326 0.266 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(=O)Nc1ccccc1 ZINC000738136475 945236836 /nfs/dbraw/zinc/23/68/36/945236836.db2.gz MIGZYMZXSZJIFI-UHFFFAOYSA-N -1 3 351.326 0.266 20 50 FCGDHM C=CCNC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000819751701 945282432 /nfs/dbraw/zinc/28/24/32/945282432.db2.gz ZLVBBQDGEZIWDL-HKMIMPICSA-N -1 3 369.385 0.655 20 50 FCGDHM C=CCNC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000819751701 945282439 /nfs/dbraw/zinc/28/24/39/945282439.db2.gz ZLVBBQDGEZIWDL-HKMIMPICSA-N -1 3 369.385 0.655 20 50 FCGDHM C[C@H](C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cccnc1 ZINC000819866192 945299722 /nfs/dbraw/zinc/29/97/22/945299722.db2.gz KJYSQHSYGZLBEV-NSHDSACASA-N -1 3 367.369 0.592 20 50 FCGDHM CC(C)(CO)CCCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000819983891 945321965 /nfs/dbraw/zinc/32/19/65/945321965.db2.gz JDLJTBFUQZQHQF-UHFFFAOYSA-N -1 3 361.406 0.609 20 50 FCGDHM CC(C)(CO)CCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000819983891 945321970 /nfs/dbraw/zinc/32/19/70/945321970.db2.gz JDLJTBFUQZQHQF-UHFFFAOYSA-N -1 3 361.406 0.609 20 50 FCGDHM C=C(Br)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735399648 944644745 /nfs/dbraw/zinc/64/47/45/944644745.db2.gz SASHEWGYVUBNNR-UHFFFAOYSA-N -1 3 366.179 0.719 20 50 FCGDHM C=C(Br)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735399648 944644752 /nfs/dbraw/zinc/64/47/52/944644752.db2.gz SASHEWGYVUBNNR-UHFFFAOYSA-N -1 3 366.179 0.719 20 50 FCGDHM C#CCSCCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000735387666 944645664 /nfs/dbraw/zinc/64/56/64/944645664.db2.gz DUHNJPKJUVAPSV-MDWZMJQESA-N -1 3 355.427 0.903 20 50 FCGDHM C#CCSCCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000735387666 944645668 /nfs/dbraw/zinc/64/56/68/944645668.db2.gz DUHNJPKJUVAPSV-MDWZMJQESA-N -1 3 355.427 0.903 20 50 FCGDHM CC(C)(C)CC(=O)NNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735593536 944675862 /nfs/dbraw/zinc/67/58/62/944675862.db2.gz JKYZMZNANCYCTI-UHFFFAOYSA-N -1 3 360.378 0.278 20 50 FCGDHM CC(C)(C)CC(=O)NNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735593536 944675871 /nfs/dbraw/zinc/67/58/71/944675871.db2.gz JKYZMZNANCYCTI-UHFFFAOYSA-N -1 3 360.378 0.278 20 50 FCGDHM CC(C)(C)OC(=O)NNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735639467 944680670 /nfs/dbraw/zinc/68/06/70/944680670.db2.gz IIFVJDJLYFLSDV-UHFFFAOYSA-N -1 3 361.362 0.152 20 50 FCGDHM CC(C)(C)OC(=O)NNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735639467 944680678 /nfs/dbraw/zinc/68/06/78/944680678.db2.gz IIFVJDJLYFLSDV-UHFFFAOYSA-N -1 3 361.362 0.152 20 50 FCGDHM CC(C)(C)C[C@H](O)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735604688 944682328 /nfs/dbraw/zinc/68/23/28/944682328.db2.gz XGHQENPTKCMQOG-LBPRGKRZSA-N -1 3 361.406 0.608 20 50 FCGDHM CC(C)(C)C[C@H](O)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735604688 944682335 /nfs/dbraw/zinc/68/23/35/944682335.db2.gz XGHQENPTKCMQOG-LBPRGKRZSA-N -1 3 361.406 0.608 20 50 FCGDHM CC(C)[C@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)N1CCCC1=O ZINC000735689950 944691206 /nfs/dbraw/zinc/69/12/06/944691206.db2.gz FHPZHZRAWCTGHM-CQSZACIVSA-N -1 3 371.401 0.275 20 50 FCGDHM CC(C)[C@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)N1CCCC1=O ZINC000735689950 944691210 /nfs/dbraw/zinc/69/12/10/944691210.db2.gz FHPZHZRAWCTGHM-CQSZACIVSA-N -1 3 371.401 0.275 20 50 FCGDHM C[C@H](NC(=S)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000736123740 944745909 /nfs/dbraw/zinc/74/59/09/944745909.db2.gz COPVOFUIHBPULJ-VIFPVBQESA-N -1 3 361.431 0.539 20 50 FCGDHM C[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736124805 944746227 /nfs/dbraw/zinc/74/62/27/944746227.db2.gz HZDPLWGNPVTAGR-SECBINFHSA-N -1 3 369.341 0.039 20 50 FCGDHM C[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736124805 944746240 /nfs/dbraw/zinc/74/62/40/944746240.db2.gz HZDPLWGNPVTAGR-SECBINFHSA-N -1 3 369.341 0.039 20 50 FCGDHM C[C@@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736163733 944751181 /nfs/dbraw/zinc/75/11/81/944751181.db2.gz JSLPUZOMWDTNDL-MFKMUULPSA-N -1 3 360.374 0.212 20 50 FCGDHM C[C@@H](OC[C@@H]1CCCO1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736163733 944751199 /nfs/dbraw/zinc/75/11/99/944751199.db2.gz JSLPUZOMWDTNDL-MFKMUULPSA-N -1 3 360.374 0.212 20 50 FCGDHM C[C@@H]1CN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC(C)(C)O1 ZINC000736280850 944783615 /nfs/dbraw/zinc/78/36/15/944783615.db2.gz PLXWPDUUTZOOML-SNVBAGLBSA-N -1 3 359.390 0.720 20 50 FCGDHM C[C@@H]1CN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC(C)(C)O1 ZINC000736280850 944783623 /nfs/dbraw/zinc/78/36/23/944783623.db2.gz PLXWPDUUTZOOML-SNVBAGLBSA-N -1 3 359.390 0.720 20 50 FCGDHM CCC(CC)[C@@H](O)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736338574 944804330 /nfs/dbraw/zinc/80/43/30/944804330.db2.gz XXCWSKVRNJOMLE-ZDUSSCGKSA-N -1 3 361.406 0.608 20 50 FCGDHM CCC(CC)[C@@H](O)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736338574 944804339 /nfs/dbraw/zinc/80/43/39/944804339.db2.gz XXCWSKVRNJOMLE-ZDUSSCGKSA-N -1 3 361.406 0.608 20 50 FCGDHM CCC(CC)NC(=O)C(=O)NNC(=O)CCc1ccc(-c2nnn[n-]2)cc1 ZINC000736346383 944804865 /nfs/dbraw/zinc/80/48/65/944804865.db2.gz ZSKLAEYIVBFAAF-UHFFFAOYSA-N -1 3 373.417 0.252 20 50 FCGDHM CCC(CC)NC(=O)C(=O)NNC(=O)CCc1ccc(-c2nn[n-]n2)cc1 ZINC000736346383 944804872 /nfs/dbraw/zinc/80/48/72/944804872.db2.gz ZSKLAEYIVBFAAF-UHFFFAOYSA-N -1 3 373.417 0.252 20 50 FCGDHM CC[C@@H](COC)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736350434 944808433 /nfs/dbraw/zinc/80/84/33/944808433.db2.gz AOFLCESPFOPVPI-JTQLQIEISA-N -1 3 363.378 0.001 20 50 FCGDHM CC[C@@H](COC)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736350434 944808440 /nfs/dbraw/zinc/80/84/40/944808440.db2.gz AOFLCESPFOPVPI-JTQLQIEISA-N -1 3 363.378 0.001 20 50 FCGDHM CC[C@H]1CN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H](C)O1 ZINC000736406754 944815688 /nfs/dbraw/zinc/81/56/88/944815688.db2.gz BNLLJIPPARSMSS-MFKMUULPSA-N -1 3 359.390 0.720 20 50 FCGDHM CC[C@H]1CN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)O1 ZINC000736406754 944815692 /nfs/dbraw/zinc/81/56/92/944815692.db2.gz BNLLJIPPARSMSS-MFKMUULPSA-N -1 3 359.390 0.720 20 50 FCGDHM CCOC1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000736608480 944853719 /nfs/dbraw/zinc/85/37/19/944853719.db2.gz LJTKMRISCCRADF-UHFFFAOYSA-N -1 3 359.390 0.722 20 50 FCGDHM CCOC1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000736608480 944853726 /nfs/dbraw/zinc/85/37/26/944853726.db2.gz LJTKMRISCCRADF-UHFFFAOYSA-N -1 3 359.390 0.722 20 50 FCGDHM CCOC[C@H]1CCCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736607922 944854175 /nfs/dbraw/zinc/85/41/75/944854175.db2.gz CCCPQPADINXORO-LBPRGKRZSA-N -1 3 373.417 0.970 20 50 FCGDHM CCOC[C@H]1CCCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736607922 944854181 /nfs/dbraw/zinc/85/41/81/944854181.db2.gz CCCPQPADINXORO-LBPRGKRZSA-N -1 3 373.417 0.970 20 50 FCGDHM CCOC[C@@H]1CCCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736607921 944854794 /nfs/dbraw/zinc/85/47/94/944854794.db2.gz CCCPQPADINXORO-GFCCVEGCSA-N -1 3 373.417 0.970 20 50 FCGDHM CCOC[C@@H]1CCCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736607921 944854799 /nfs/dbraw/zinc/85/47/99/944854799.db2.gz CCCPQPADINXORO-GFCCVEGCSA-N -1 3 373.417 0.970 20 50 FCGDHM CN(NC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000736842351 944898391 /nfs/dbraw/zinc/89/83/91/944898391.db2.gz PIAMQLOLYYJDHC-UHFFFAOYSA-N -1 3 351.370 0.764 20 50 FCGDHM CN(NC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000736842351 944898398 /nfs/dbraw/zinc/89/83/98/944898398.db2.gz PIAMQLOLYYJDHC-UHFFFAOYSA-N -1 3 351.370 0.764 20 50 FCGDHM COC(=O)[C@H](C)CN(C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736889181 944906231 /nfs/dbraw/zinc/90/62/31/944906231.db2.gz QUEKQXPWBNDVFQ-KUKWCLJQSA-N -1 3 371.401 0.688 20 50 FCGDHM COC(=O)[C@H](C)CN(C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736889181 944906236 /nfs/dbraw/zinc/90/62/36/944906236.db2.gz QUEKQXPWBNDVFQ-KUKWCLJQSA-N -1 3 371.401 0.688 20 50 FCGDHM COCCOC[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000737005678 944931092 /nfs/dbraw/zinc/93/10/92/944931092.db2.gz IWQBJDYFADSTOJ-LLUUXILJSA-N -1 3 373.417 0.588 20 50 FCGDHM COCCOC[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000737005678 944931098 /nfs/dbraw/zinc/93/10/98/944931098.db2.gz IWQBJDYFADSTOJ-LLUUXILJSA-N -1 3 373.417 0.588 20 50 FCGDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)NNC(=O)CCC(C)C ZINC000737024937 944935934 /nfs/dbraw/zinc/93/59/34/944935934.db2.gz VNKIRWWEBOLSFF-UHFFFAOYSA-N -1 3 362.390 0.838 20 50 FCGDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)NNC(=O)CCC(C)C ZINC000737024937 944935939 /nfs/dbraw/zinc/93/59/39/944935939.db2.gz VNKIRWWEBOLSFF-UHFFFAOYSA-N -1 3 362.390 0.838 20 50 FCGDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NNC(=O)C1CCC1 ZINC000737033427 944938735 /nfs/dbraw/zinc/93/87/35/944938735.db2.gz OTUVSDDSNZMJAP-UHFFFAOYSA-N -1 3 374.401 0.982 20 50 FCGDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NNC(=O)C1CCC1 ZINC000737033427 944938738 /nfs/dbraw/zinc/93/87/38/944938738.db2.gz OTUVSDDSNZMJAP-UHFFFAOYSA-N -1 3 374.401 0.982 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OC[C@@H]2COCCO2)cc(-c2nnn[n-]2)n1C ZINC000737212639 944994646 /nfs/dbraw/zinc/99/46/46/944994646.db2.gz LQRSHEMLGOZEGM-YFTXEMMHSA-N -1 3 358.358 0.379 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OC[C@@H]2COCCO2)cc(-c2nn[n-]n2)n1C ZINC000737212639 944994654 /nfs/dbraw/zinc/99/46/54/944994654.db2.gz LQRSHEMLGOZEGM-YFTXEMMHSA-N -1 3 358.358 0.379 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OC[C@@H]2COCCO2)cc(-c2nnn[n-]2)n1C ZINC000737212638 944994936 /nfs/dbraw/zinc/99/49/36/944994936.db2.gz LQRSHEMLGOZEGM-XLVZXTRVSA-N -1 3 358.358 0.379 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OC[C@@H]2COCCO2)cc(-c2nn[n-]n2)n1C ZINC000737212638 944994942 /nfs/dbraw/zinc/99/49/42/944994942.db2.gz LQRSHEMLGOZEGM-XLVZXTRVSA-N -1 3 358.358 0.379 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CCOCC1 ZINC000820372758 945432087 /nfs/dbraw/zinc/43/20/87/945432087.db2.gz BQEFCQUMFJZGKV-JTQLQIEISA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CCOCC1 ZINC000820372758 945432092 /nfs/dbraw/zinc/43/20/92/945432092.db2.gz BQEFCQUMFJZGKV-JTQLQIEISA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@@H](NC(N)=O)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820410737 945445566 /nfs/dbraw/zinc/44/55/66/945445566.db2.gz GEYXNIKVWNBSNU-RXMQYKEDSA-N -1 3 358.284 0.385 20 50 FCGDHM C[C@@H](NC(N)=O)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820410737 945445571 /nfs/dbraw/zinc/44/55/71/945445571.db2.gz GEYXNIKVWNBSNU-RXMQYKEDSA-N -1 3 358.284 0.385 20 50 FCGDHM C[C@@H](SCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H](C)O ZINC000820467539 945458254 /nfs/dbraw/zinc/45/82/54/945458254.db2.gz JKFCFRKCKKTMQK-DTWKUNHWSA-N -1 3 350.404 0.130 20 50 FCGDHM C[C@@H](SCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H](C)O ZINC000820467539 945458258 /nfs/dbraw/zinc/45/82/58/945458258.db2.gz JKFCFRKCKKTMQK-DTWKUNHWSA-N -1 3 350.404 0.130 20 50 FCGDHM C[C@](O)(Cc1ccccc1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820468562 945460759 /nfs/dbraw/zinc/46/07/59/945460759.db2.gz VGPXWDAVMWHTKL-SFHVURJKSA-N -1 3 366.381 0.621 20 50 FCGDHM C[C@](O)(Cc1ccccc1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820468562 945460763 /nfs/dbraw/zinc/46/07/63/945460763.db2.gz VGPXWDAVMWHTKL-SFHVURJKSA-N -1 3 366.381 0.621 20 50 FCGDHM C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000820550733 945480097 /nfs/dbraw/zinc/48/00/97/945480097.db2.gz YMQZDXJBMSHQGU-VIFPVBQESA-N -1 3 373.348 0.573 20 50 FCGDHM C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000820550733 945480105 /nfs/dbraw/zinc/48/01/05/945480105.db2.gz YMQZDXJBMSHQGU-VIFPVBQESA-N -1 3 373.348 0.573 20 50 FCGDHM CC1(OCC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC000820629192 945501110 /nfs/dbraw/zinc/50/11/10/945501110.db2.gz UZGROIDGFOKDCC-UHFFFAOYSA-N -1 3 360.374 0.352 20 50 FCGDHM CC1CC(C#N)(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820643452 945509327 /nfs/dbraw/zinc/50/93/27/945509327.db2.gz WRYNPOFUHLRDHY-UHFFFAOYSA-N -1 3 355.358 0.333 20 50 FCGDHM CC/C=C(/C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821000919 945609649 /nfs/dbraw/zinc/60/96/49/945609649.db2.gz LZASMSACUFCKHW-YHYXMXQVSA-N -1 3 358.358 0.527 20 50 FCGDHM CC/C=C(/C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821000919 945609654 /nfs/dbraw/zinc/60/96/54/945609654.db2.gz LZASMSACUFCKHW-YHYXMXQVSA-N -1 3 358.358 0.527 20 50 FCGDHM CCCC1(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821028478 945619190 /nfs/dbraw/zinc/61/91/90/945619190.db2.gz XELGOOPCNNKKFE-UHFFFAOYSA-N -1 3 372.385 0.751 20 50 FCGDHM CCCC1(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821028478 945619197 /nfs/dbraw/zinc/61/91/97/945619197.db2.gz XELGOOPCNNKKFE-UHFFFAOYSA-N -1 3 372.385 0.751 20 50 FCGDHM CCOc1ccc(C(=O)NNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1OC ZINC000821416630 945690393 /nfs/dbraw/zinc/69/03/93/945690393.db2.gz BPZKXJMORLVIJF-UHFFFAOYSA-N -1 3 371.357 0.677 20 50 FCGDHM CCOc1ccc(C(=O)NNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1OC ZINC000821416630 945690399 /nfs/dbraw/zinc/69/03/99/945690399.db2.gz BPZKXJMORLVIJF-UHFFFAOYSA-N -1 3 371.357 0.677 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cc1cscn1 ZINC000821594008 945731583 /nfs/dbraw/zinc/73/15/83/945731583.db2.gz UDWYXTDNGBNEHZ-UHFFFAOYSA-N -1 3 372.414 0.216 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cc1cscn1 ZINC000821594008 945731587 /nfs/dbraw/zinc/73/15/87/945731587.db2.gz UDWYXTDNGBNEHZ-UHFFFAOYSA-N -1 3 372.414 0.216 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cc1ccoc1 ZINC000821593714 945732092 /nfs/dbraw/zinc/73/20/92/945732092.db2.gz GTTPEZXXNFLJQL-UHFFFAOYSA-N -1 3 355.358 0.353 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cc1ccoc1 ZINC000821593714 945732098 /nfs/dbraw/zinc/73/20/98/945732098.db2.gz GTTPEZXXNFLJQL-UHFFFAOYSA-N -1 3 355.358 0.353 20 50 FCGDHM COC(=O)[C@@H](NNC(=O)c1scnc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821644818 945769355 /nfs/dbraw/zinc/76/93/55/945769355.db2.gz JXUGRWUGLRQPRG-NSHDSACASA-N -1 3 373.398 0.780 20 50 FCGDHM COC(=O)[C@@H](NNC(=O)c1scnc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821644818 945769365 /nfs/dbraw/zinc/76/93/65/945769365.db2.gz JXUGRWUGLRQPRG-NSHDSACASA-N -1 3 373.398 0.780 20 50 FCGDHM COC(=O)[C@H](NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccnc1 ZINC000821644621 945769821 /nfs/dbraw/zinc/76/98/21/945769821.db2.gz DXEADZKTNKIXLE-CYBMUJFWSA-N -1 3 353.342 0.410 20 50 FCGDHM COC(=O)[C@H](NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccnc1 ZINC000821644621 945769831 /nfs/dbraw/zinc/76/98/31/945769831.db2.gz DXEADZKTNKIXLE-CYBMUJFWSA-N -1 3 353.342 0.410 20 50 FCGDHM CO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1(C)C ZINC000821677980 945795911 /nfs/dbraw/zinc/79/59/11/945795911.db2.gz HUJNQBGRZIJRQB-VXGBXAGGSA-N -1 3 359.390 0.624 20 50 FCGDHM CO[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC000821677980 945795916 /nfs/dbraw/zinc/79/59/16/945795916.db2.gz HUJNQBGRZIJRQB-VXGBXAGGSA-N -1 3 359.390 0.624 20 50 FCGDHM COCCC(=O)COC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821685145 945809865 /nfs/dbraw/zinc/80/98/65/945809865.db2.gz VLQDARQBTKURIO-SDQBBNPISA-N -1 3 358.358 0.569 20 50 FCGDHM COCCC(=O)COC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821685145 945809879 /nfs/dbraw/zinc/80/98/79/945809879.db2.gz VLQDARQBTKURIO-SDQBBNPISA-N -1 3 358.358 0.569 20 50 FCGDHM COCc1nc(C=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821695730 945830194 /nfs/dbraw/zinc/83/01/94/945830194.db2.gz GAICXDRLZFPCJG-UHFFFAOYSA-N -1 3 373.398 0.999 20 50 FCGDHM COc1ccc(CCC(=O)NNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1 ZINC000821790002 945865707 /nfs/dbraw/zinc/86/57/07/945865707.db2.gz DPXAEUCNNDMMTO-UHFFFAOYSA-N -1 3 355.358 0.597 20 50 FCGDHM COc1ccc(CCC(=O)NNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1 ZINC000821790002 945865725 /nfs/dbraw/zinc/86/57/25/945865725.db2.gz DPXAEUCNNDMMTO-UHFFFAOYSA-N -1 3 355.358 0.597 20 50 FCGDHM COc1ccccc1C(=O)NNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821882768 945894960 /nfs/dbraw/zinc/89/49/60/945894960.db2.gz KIILPIOLVAFTKZ-UHFFFAOYSA-N -1 3 352.354 0.879 20 50 FCGDHM COc1ccccc1C(=O)NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821882768 945894971 /nfs/dbraw/zinc/89/49/71/945894971.db2.gz KIILPIOLVAFTKZ-UHFFFAOYSA-N -1 3 352.354 0.879 20 50 FCGDHM COc1ccccc1CC(=O)NNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821890939 945898240 /nfs/dbraw/zinc/89/82/40/945898240.db2.gz SHLHHZUVRNFUMW-UHFFFAOYSA-N -1 3 366.381 0.808 20 50 FCGDHM COc1ccccc1CC(=O)NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821890939 945898250 /nfs/dbraw/zinc/89/82/50/945898250.db2.gz SHLHHZUVRNFUMW-UHFFFAOYSA-N -1 3 366.381 0.808 20 50 FCGDHM COc1ccccc1NC(=S)NNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821897674 945901652 /nfs/dbraw/zinc/90/16/52/945901652.db2.gz JQLGSGIHPFRQDY-UHFFFAOYSA-N -1 3 372.414 0.845 20 50 FCGDHM COc1ccccc1NC(=S)NNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821897674 945901663 /nfs/dbraw/zinc/90/16/63/945901663.db2.gz JQLGSGIHPFRQDY-UHFFFAOYSA-N -1 3 372.414 0.845 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)C(=O)N(C)C)cc(-c2nnn[n-]2)n1C ZINC000822027685 945936543 /nfs/dbraw/zinc/93/65/43/945936543.db2.gz IXQRRYFCJCXZOG-DKBJHAQFSA-N -1 3 356.390 0.014 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)C(=O)N(C)C)cc(-c2nn[n-]n2)n1C ZINC000822027685 945936553 /nfs/dbraw/zinc/93/65/53/945936553.db2.gz IXQRRYFCJCXZOG-DKBJHAQFSA-N -1 3 356.390 0.014 20 50 FCGDHM Cc1ccc(OCC(=O)NNC(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000822262749 946036369 /nfs/dbraw/zinc/03/63/69/946036369.db2.gz DZDNKLAJZQHVNY-UHFFFAOYSA-N -1 3 366.381 0.944 20 50 FCGDHM Cc1ccc(OCC(=O)NNC(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000822262749 946036384 /nfs/dbraw/zinc/03/63/84/946036384.db2.gz DZDNKLAJZQHVNY-UHFFFAOYSA-N -1 3 366.381 0.944 20 50 FCGDHM O=C(CCOC1CCOCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822969756 946241075 /nfs/dbraw/zinc/24/10/75/946241075.db2.gz ZXCVSZDSDXRIHX-UHFFFAOYSA-N -1 3 360.374 0.213 20 50 FCGDHM O=C(CCOC1CCOCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822969756 946241084 /nfs/dbraw/zinc/24/10/84/946241084.db2.gz ZXCVSZDSDXRIHX-UHFFFAOYSA-N -1 3 360.374 0.213 20 50 FCGDHM O=C(CN1CCCC1=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000822997314 946255857 /nfs/dbraw/zinc/25/58/57/946255857.db2.gz OYDBAIRSLKAHBR-UHFFFAOYSA-N -1 3 369.307 0.951 20 50 FCGDHM O=C(CN1CCCC1=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000822997314 946255860 /nfs/dbraw/zinc/25/58/60/946255860.db2.gz OYDBAIRSLKAHBR-UHFFFAOYSA-N -1 3 369.307 0.951 20 50 FCGDHM O=C(COC(=O)[C@H]1C[C@@H]1C1CC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018497 946273622 /nfs/dbraw/zinc/27/36/22/946273622.db2.gz PJJVQGHSATUZIO-OLZOCXBDSA-N -1 3 370.369 0.217 20 50 FCGDHM O=C(COC(=O)[C@H]1C[C@@H]1C1CC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018497 946273630 /nfs/dbraw/zinc/27/36/30/946273630.db2.gz PJJVQGHSATUZIO-OLZOCXBDSA-N -1 3 370.369 0.217 20 50 FCGDHM O=C(COC(=O)CCC1CCC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018641 946275967 /nfs/dbraw/zinc/27/59/67/946275967.db2.gz USZLIHMRTXQJGO-UHFFFAOYSA-N -1 3 372.385 0.751 20 50 FCGDHM O=C(COC(=O)CCC1CCC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018641 946275976 /nfs/dbraw/zinc/27/59/76/946275976.db2.gz USZLIHMRTXQJGO-UHFFFAOYSA-N -1 3 372.385 0.751 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@H]1CC12CCCC2 ZINC000823036374 946283258 /nfs/dbraw/zinc/28/32/58/946283258.db2.gz AOHIIIQSWHKZOT-CYBMUJFWSA-N -1 3 356.386 0.973 20 50 FCGDHM O=C(COc1ccc(O)cc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823040906 946291214 /nfs/dbraw/zinc/29/12/14/946291214.db2.gz SAIUDROLBPKMPG-UHFFFAOYSA-N -1 3 354.326 0.412 20 50 FCGDHM O=C(COc1ccc(O)cc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823040906 946291221 /nfs/dbraw/zinc/29/12/21/946291221.db2.gz SAIUDROLBPKMPG-UHFFFAOYSA-N -1 3 354.326 0.412 20 50 FCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NCCC1CCC1 ZINC000823049571 946293505 /nfs/dbraw/zinc/29/35/05/946293505.db2.gz HPWCEFDYKOJWCT-UHFFFAOYSA-N -1 3 359.390 0.766 20 50 FCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NCCC1CCC1 ZINC000823049571 946293516 /nfs/dbraw/zinc/29/35/16/946293516.db2.gz HPWCEFDYKOJWCT-UHFFFAOYSA-N -1 3 359.390 0.766 20 50 FCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NCCn1cccc1 ZINC000823049896 946296496 /nfs/dbraw/zinc/29/64/96/946296496.db2.gz LVBFEUMEHJKIIB-UHFFFAOYSA-N -1 3 370.373 0.078 20 50 FCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NCCn1cccc1 ZINC000823049896 946296504 /nfs/dbraw/zinc/29/65/04/946296504.db2.gz LVBFEUMEHJKIIB-UHFFFAOYSA-N -1 3 370.373 0.078 20 50 FCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=Cc1cnc2cnccn12 ZINC000823050320 946296807 /nfs/dbraw/zinc/29/68/07/946296807.db2.gz VAJKQYPKCBJIHG-UHFFFAOYSA-N -1 3 363.341 0.439 20 50 FCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=Cc1cnc2cnccn12 ZINC000823050320 946296812 /nfs/dbraw/zinc/29/68/12/946296812.db2.gz VAJKQYPKCBJIHG-UHFFFAOYSA-N -1 3 363.341 0.439 20 50 FCGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNC(=O)c1ccc(Cl)nc1 ZINC000823103249 946309851 /nfs/dbraw/zinc/30/98/51/946309851.db2.gz BNDRFPADAPVTLM-UHFFFAOYSA-N -1 3 357.761 0.919 20 50 FCGDHM O=C(NNC(=O)N1CCC2(C1)CCOCC2)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277499 946401892 /nfs/dbraw/zinc/40/18/92/946401892.db2.gz NUPIEVTUIWYDNW-UHFFFAOYSA-N -1 3 371.401 0.724 20 50 FCGDHM O=C(NNC(=O)N1CCC2(C1)CCOCC2)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277499 946401901 /nfs/dbraw/zinc/40/19/01/946401901.db2.gz NUPIEVTUIWYDNW-UHFFFAOYSA-N -1 3 371.401 0.724 20 50 FCGDHM COc1cccc(C(=O)NCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826213955 947626862 /nfs/dbraw/zinc/62/68/62/947626862.db2.gz UDKIIQQZCJOGFE-UHFFFAOYSA-N -1 3 367.369 0.748 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@H]1CCCCS1 ZINC000826417506 948258871 /nfs/dbraw/zinc/25/88/71/948258871.db2.gz SXTALBROSLEWAD-GFCCVEGCSA-N -1 3 362.415 0.679 20 50 FCGDHM O=C(NCC[C@H]1CCCCO1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826436037 948291831 /nfs/dbraw/zinc/29/18/31/948291831.db2.gz FVADHIWGTKTUBJ-CYBMUJFWSA-N -1 3 359.390 0.770 20 50 FCGDHM O=C(NCC[C@H]1CCCCO1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826436037 948291842 /nfs/dbraw/zinc/29/18/42/948291842.db2.gz FVADHIWGTKTUBJ-CYBMUJFWSA-N -1 3 359.390 0.770 20 50 FCGDHM Cc1cccc(C(=O)NNC(=O)CN(CCC(=O)[O-])C2CCOCC2)c1 ZINC001594387962 958691719 /nfs/dbraw/zinc/69/17/19/958691719.db2.gz OJMGKUBDIMVBRA-UHFFFAOYSA-N -1 3 363.414 0.712 20 50 FCGDHM NC(=O)COc1cccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826391247 607343450 /nfs/dbraw/zinc/34/34/50/607343450.db2.gz CIXVQFJNDNGSQG-UHFFFAOYSA-N -1 3 353.342 0.488 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000826446212 607343564 /nfs/dbraw/zinc/34/35/64/607343564.db2.gz DFCVTIONYDJHAG-NXEZZACHSA-N -1 3 369.307 0.767 20 50 FCGDHM C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824816557 607350215 /nfs/dbraw/zinc/35/02/15/607350215.db2.gz GEOWOPSFFOECDG-INIZCTEOSA-N -1 3 370.373 0.030 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000826446193 607353035 /nfs/dbraw/zinc/35/30/35/607353035.db2.gz CQVVOWLRPNFXDA-SNVBAGLBSA-N -1 3 353.346 0.086 20 50 FCGDHM C[C@@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)N1CCSCC1 ZINC000824040708 607570679 /nfs/dbraw/zinc/57/06/79/607570679.db2.gz ULQDCFHLVLYQMS-JTQLQIEISA-N -1 3 361.431 0.065 20 50 FCGDHM C[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)N1CCSCC1 ZINC000824040708 607570680 /nfs/dbraw/zinc/57/06/80/607570680.db2.gz ULQDCFHLVLYQMS-JTQLQIEISA-N -1 3 361.431 0.065 20 50 FCGDHM O=C(CN1C(=O)NC2(CCCC2)C1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409569 607719205 /nfs/dbraw/zinc/71/92/05/607719205.db2.gz GCSHDRYCUHYAGH-UHFFFAOYSA-N -1 3 370.373 0.174 20 50 FCGDHM O=C(CN1C(=O)NC2(CCCC2)C1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409569 607719207 /nfs/dbraw/zinc/71/92/07/607719207.db2.gz GCSHDRYCUHYAGH-UHFFFAOYSA-N -1 3 370.373 0.174 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cnc2sccn2c1=O ZINC000826449267 607723422 /nfs/dbraw/zinc/72/34/22/607723422.db2.gz JJMKAOGVIPMDAO-UHFFFAOYSA-N -1 3 354.355 0.693 20 50 FCGDHM CCOC(=O)NCCCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825523248 607725601 /nfs/dbraw/zinc/72/56/01/607725601.db2.gz OWBIXUSQMOPOFO-UHFFFAOYSA-N -1 3 361.362 0.154 20 50 FCGDHM CCOC(=O)NCCCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825523248 607725602 /nfs/dbraw/zinc/72/56/02/607725602.db2.gz OWBIXUSQMOPOFO-UHFFFAOYSA-N -1 3 361.362 0.154 20 50 FCGDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826327275 607726576 /nfs/dbraw/zinc/72/65/76/607726576.db2.gz AJSYTWOCLMFELN-UHFFFAOYSA-N -1 3 357.334 0.813 20 50 FCGDHM Cc1nc([N+](=O)[O-])cn1CCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826327275 607726578 /nfs/dbraw/zinc/72/65/78/607726578.db2.gz AJSYTWOCLMFELN-UHFFFAOYSA-N -1 3 357.334 0.813 20 50 FCGDHM CCC(=NNC(=O)COc1ccccc1-c1nnn[n-]1)c1nccn1C ZINC000825028012 607882624 /nfs/dbraw/zinc/88/26/24/607882624.db2.gz CFLJGADIFGLQQK-UHFFFAOYSA-N -1 3 354.374 0.910 20 50 FCGDHM CCC(=NNC(=O)COc1ccccc1-c1nn[n-]n1)c1nccn1C ZINC000825028012 607882625 /nfs/dbraw/zinc/88/26/25/607882625.db2.gz CFLJGADIFGLQQK-UHFFFAOYSA-N -1 3 354.374 0.910 20 50 FCGDHM CC[C@@H]1CO[C@@H](C)CN1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825218010 607921273 /nfs/dbraw/zinc/92/12/73/607921273.db2.gz AEWGZZSJFFZPPL-SMDDNHRTSA-N -1 3 373.417 0.127 20 50 FCGDHM CC[C@@H]1CO[C@@H](C)CN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825218010 607921274 /nfs/dbraw/zinc/92/12/74/607921274.db2.gz AEWGZZSJFFZPPL-SMDDNHRTSA-N -1 3 373.417 0.127 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCC[C@@H](C)CO)cc(-c2nnn[n-]2)n1C ZINC000826235289 608005994 /nfs/dbraw/zinc/00/59/94/608005994.db2.gz HEGJYVMUHMAOLG-DKTFCQPKSA-N -1 3 357.418 0.945 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCC[C@@H](C)CO)cc(-c2nn[n-]n2)n1C ZINC000826235289 608005995 /nfs/dbraw/zinc/00/59/95/608005995.db2.gz HEGJYVMUHMAOLG-DKTFCQPKSA-N -1 3 357.418 0.945 20 50 FCGDHM CC(=NNC(=O)C=C1CC(=O)NC(=O)N1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948738 608094941 /nfs/dbraw/zinc/09/49/41/608094941.db2.gz VTASLLQNUSPCSC-UHFFFAOYSA-N -1 3 360.359 0.212 20 50 FCGDHM CC(=NNC(=O)CNC(=O)c1cccnc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948237 608095083 /nfs/dbraw/zinc/09/50/83/608095083.db2.gz IMKBAPIRTWOMGN-UHFFFAOYSA-N -1 3 370.398 0.593 20 50 FCGDHM CCCC[C@H](NNC(=O)COc1ccccc1-c1nnn[n-]1)C(=O)OC ZINC000825267313 608097977 /nfs/dbraw/zinc/09/79/77/608097977.db2.gz KNCVOVZURVYGOD-LBPRGKRZSA-N -1 3 362.390 0.598 20 50 FCGDHM CCCC[C@H](NNC(=O)COc1ccccc1-c1nn[n-]n1)C(=O)OC ZINC000825267313 608097978 /nfs/dbraw/zinc/09/79/78/608097978.db2.gz KNCVOVZURVYGOD-LBPRGKRZSA-N -1 3 362.390 0.598 20 50 FCGDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NNc1ccc(Cl)nn1 ZINC000826277178 608140960 /nfs/dbraw/zinc/14/09/60/608140960.db2.gz MATIXWMQTKPHJK-UHFFFAOYSA-N -1 3 373.764 0.700 20 50 FCGDHM COc1cccc(NNC(=O)C(=O)Nc2cccc(-c3nnn[n-]3)c2C)n1 ZINC000826216895 608142120 /nfs/dbraw/zinc/14/21/20/608142120.db2.gz RCMWJYFKOYGIQK-UHFFFAOYSA-N -1 3 368.357 0.661 20 50 FCGDHM COc1cccc(NNC(=O)C(=O)Nc2cccc(-c3nn[n-]n3)c2C)n1 ZINC000826216895 608142121 /nfs/dbraw/zinc/14/21/21/608142121.db2.gz RCMWJYFKOYGIQK-UHFFFAOYSA-N -1 3 368.357 0.661 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cnc2c(c1)NC(=O)CO2 ZINC000826481753 608165707 /nfs/dbraw/zinc/16/57/07/608165707.db2.gz HZJHPQGCWQDBNA-UHFFFAOYSA-N -1 3 352.314 0.350 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000826235791 608199839 /nfs/dbraw/zinc/19/98/39/608199839.db2.gz RHPDNKKJMQOCDN-BPOWHZOISA-N -1 3 355.402 0.962 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000826235791 608199841 /nfs/dbraw/zinc/19/98/41/608199841.db2.gz RHPDNKKJMQOCDN-BPOWHZOISA-N -1 3 355.402 0.962 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000826235793 608200020 /nfs/dbraw/zinc/20/00/20/608200020.db2.gz RHPDNKKJMQOCDN-NSRHACKASA-N -1 3 355.402 0.962 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000826235793 608200023 /nfs/dbraw/zinc/20/00/23/608200023.db2.gz RHPDNKKJMQOCDN-NSRHACKASA-N -1 3 355.402 0.962 20 50 FCGDHM COc1ccc(C(=O)NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)c(OC)c1 ZINC000826187491 609457240 /nfs/dbraw/zinc/45/72/40/609457240.db2.gz SKAHRKUZGZXPPC-UHFFFAOYSA-N -1 3 357.330 0.287 20 50 FCGDHM COc1ccc(C(=O)NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)c(OC)c1 ZINC000826187491 609457241 /nfs/dbraw/zinc/45/72/41/609457241.db2.gz SKAHRKUZGZXPPC-UHFFFAOYSA-N -1 3 357.330 0.287 20 50 FCGDHM C#CCCCCCC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000823841401 609533471 /nfs/dbraw/zinc/53/34/71/609533471.db2.gz MSBFIUJSYXZESL-UHFFFAOYSA-N -1 3 356.386 0.977 20 50 FCGDHM Cc1n[nH]cc1CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000737453596 945070663 /nfs/dbraw/zinc/07/06/63/945070663.db2.gz PWLZBNRGCYJTNX-QCDXTXTGSA-N -1 3 351.374 0.769 20 50 FCGDHM Cc1sc(=O)n(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1C ZINC000737563644 945096481 /nfs/dbraw/zinc/09/64/81/945096481.db2.gz RBCFUPFLQPGQKB-UHFFFAOYSA-N -1 3 373.398 0.168 20 50 FCGDHM Cc1sc(=O)n(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1C ZINC000737563644 945096487 /nfs/dbraw/zinc/09/64/87/945096487.db2.gz RBCFUPFLQPGQKB-UHFFFAOYSA-N -1 3 373.398 0.168 20 50 FCGDHM N#CCCCCNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737688103 945112379 /nfs/dbraw/zinc/11/23/79/945112379.db2.gz PRXFGXYKQFMAQT-UHFFFAOYSA-N -1 3 358.362 0.270 20 50 FCGDHM NC(=O)c1cccc(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737760812 945121885 /nfs/dbraw/zinc/12/18/85/945121885.db2.gz LRZSQIBOVRNJSX-UHFFFAOYSA-N -1 3 366.341 0.432 20 50 FCGDHM NC(=O)c1cccc(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737760812 945121889 /nfs/dbraw/zinc/12/18/89/945121889.db2.gz LRZSQIBOVRNJSX-UHFFFAOYSA-N -1 3 366.341 0.432 20 50 FCGDHM O=C(CCCCN1CCOCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737832198 945133419 /nfs/dbraw/zinc/13/34/19/945133419.db2.gz FVCXDTPHAYCSPT-UHFFFAOYSA-N -1 3 373.417 0.130 20 50 FCGDHM O=C(COCc1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737915285 945151034 /nfs/dbraw/zinc/15/10/34/945151034.db2.gz BJCZSUTYHBABHA-UHFFFAOYSA-N -1 3 352.354 0.845 20 50 FCGDHM O=C(COCc1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737915285 945151038 /nfs/dbraw/zinc/15/10/38/945151038.db2.gz BJCZSUTYHBABHA-UHFFFAOYSA-N -1 3 352.354 0.845 20 50 FCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=S)NCC1CCC1 ZINC000737928691 945156730 /nfs/dbraw/zinc/15/67/30/945156730.db2.gz AXPMPABQAMJWEZ-UHFFFAOYSA-N -1 3 361.431 0.541 20 50 FCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=S)NCC1CCC1 ZINC000737928691 945156737 /nfs/dbraw/zinc/15/67/37/945156737.db2.gz AXPMPABQAMJWEZ-UHFFFAOYSA-N -1 3 361.431 0.541 20 50 FCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)NCCCC1CC1 ZINC000737932194 945159401 /nfs/dbraw/zinc/15/94/01/945159401.db2.gz UKBIPFHIQBBXMU-UHFFFAOYSA-N -1 3 359.390 0.766 20 50 FCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)NCCCC1CC1 ZINC000737932194 945159407 /nfs/dbraw/zinc/15/94/07/945159407.db2.gz UKBIPFHIQBBXMU-UHFFFAOYSA-N -1 3 359.390 0.766 20 50 FCGDHM O=C(NCC#Cc1ccccc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738041226 945175741 /nfs/dbraw/zinc/17/57/41/945175741.db2.gz YBUPEUJDIIXZIB-UHFFFAOYSA-N -1 3 361.365 0.862 20 50 FCGDHM O=C(NCC#Cc1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738041226 945175744 /nfs/dbraw/zinc/17/57/44/945175744.db2.gz YBUPEUJDIIXZIB-UHFFFAOYSA-N -1 3 361.365 0.862 20 50 FCGDHM O=C(NCC1CC1)NNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738046714 945176841 /nfs/dbraw/zinc/17/68/41/945176841.db2.gz WMMOJUANAMKACZ-CQSZACIVSA-N -1 3 370.417 0.576 20 50 FCGDHM O=C(NCCOc1cccnc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738086158 945184477 /nfs/dbraw/zinc/18/44/77/945184477.db2.gz UHUPPARYCGMNDX-UHFFFAOYSA-N -1 3 368.357 0.285 20 50 FCGDHM O=C(NCCOc1cccnc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738086158 945184484 /nfs/dbraw/zinc/18/44/84/945184484.db2.gz UHUPPARYCGMNDX-UHFFFAOYSA-N -1 3 368.357 0.285 20 50 FCGDHM O=C(NCc1nc(C2CC2)no1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738123658 945195060 /nfs/dbraw/zinc/19/50/60/945195060.db2.gz XKTZYPWXMSVICC-UHFFFAOYSA-N -1 3 369.345 0.271 20 50 FCGDHM O=C(NCc1nc(C2CC2)no1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738123658 945195066 /nfs/dbraw/zinc/19/50/66/945195066.db2.gz XKTZYPWXMSVICC-UHFFFAOYSA-N -1 3 369.345 0.271 20 50 FCGDHM O=C(NCc1ccccc1O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738124950 945195165 /nfs/dbraw/zinc/19/51/65/945195165.db2.gz XDJFPIKCWVPAAM-UHFFFAOYSA-N -1 3 353.342 0.717 20 50 FCGDHM O=C(NCc1ccccc1O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738124950 945195173 /nfs/dbraw/zinc/19/51/73/945195173.db2.gz XDJFPIKCWVPAAM-UHFFFAOYSA-N -1 3 353.342 0.717 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000738137544 945243147 /nfs/dbraw/zinc/24/31/47/945243147.db2.gz VBHPOADXMIPGCM-UHFFFAOYSA-N -1 3 364.325 0.523 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000738137544 945243166 /nfs/dbraw/zinc/24/31/66/945243166.db2.gz VBHPOADXMIPGCM-UHFFFAOYSA-N -1 3 364.325 0.523 20 50 FCGDHM C[C@H](C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000735550273 944668425 /nfs/dbraw/zinc/66/84/25/944668425.db2.gz HNXVTDMFCNGJNP-JTQLQIEISA-N -1 3 356.342 0.790 20 50 FCGDHM CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735636514 944682258 /nfs/dbraw/zinc/68/22/58/944682258.db2.gz XVMDGWLABGNXGZ-UHFFFAOYSA-N -1 3 361.362 0.152 20 50 FCGDHM CC(C)(C)OC(=O)NCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735636514 944682262 /nfs/dbraw/zinc/68/22/62/944682262.db2.gz XVMDGWLABGNXGZ-UHFFFAOYSA-N -1 3 361.362 0.152 20 50 FCGDHM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)[C@H](C)N2CCN(C)CC2)o1 ZINC000735939205 944720540 /nfs/dbraw/zinc/72/05/40/944720540.db2.gz LLNKPCOHDAPPSI-JTQLQIEISA-N -1 3 363.426 0.057 20 50 FCGDHM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)[C@H](C)N2CCN(C)CC2)o1 ZINC000735939205 944720544 /nfs/dbraw/zinc/72/05/44/944720544.db2.gz LLNKPCOHDAPPSI-JTQLQIEISA-N -1 3 363.426 0.057 20 50 FCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@@H]1CCCOC1 ZINC000736169399 944751512 /nfs/dbraw/zinc/75/15/12/944751512.db2.gz NESSREZUOCXZPQ-CMPLNLGQSA-N -1 3 360.374 0.208 20 50 FCGDHM CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736305258 944795504 /nfs/dbraw/zinc/79/55/04/944795504.db2.gz SKIBJRRNFOGKAF-ZDUSSCGKSA-N -1 3 371.401 0.419 20 50 FCGDHM CCC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736305258 944795509 /nfs/dbraw/zinc/79/55/09/944795509.db2.gz SKIBJRRNFOGKAF-ZDUSSCGKSA-N -1 3 371.401 0.419 20 50 FCGDHM CC[C@@H]1CN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H](C)O1 ZINC000736406752 944814709 /nfs/dbraw/zinc/81/47/09/944814709.db2.gz BNLLJIPPARSMSS-GXFFZTMASA-N -1 3 359.390 0.720 20 50 FCGDHM CC[C@@H]1CN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H](C)O1 ZINC000736406752 944814722 /nfs/dbraw/zinc/81/47/22/944814722.db2.gz BNLLJIPPARSMSS-GXFFZTMASA-N -1 3 359.390 0.720 20 50 FCGDHM CCOC(=O)[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736587798 944848649 /nfs/dbraw/zinc/84/86/49/944848649.db2.gz ZNBVNCJTZRNMAF-DAVUEJTQSA-N -1 3 357.374 0.488 20 50 FCGDHM CCOC(=O)[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736587798 944848650 /nfs/dbraw/zinc/84/86/50/944848650.db2.gz ZNBVNCJTZRNMAF-DAVUEJTQSA-N -1 3 357.374 0.488 20 50 FCGDHM CCOC(=O)[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736587801 944849624 /nfs/dbraw/zinc/84/96/24/944849624.db2.gz ZNBVNCJTZRNMAF-TZZQWBKVSA-N -1 3 357.374 0.488 20 50 FCGDHM CCOC(=O)[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736587801 944849626 /nfs/dbraw/zinc/84/96/26/944849626.db2.gz ZNBVNCJTZRNMAF-TZZQWBKVSA-N -1 3 357.374 0.488 20 50 FCGDHM CN(C)c1nccc(=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)[nH]1 ZINC000736778502 944888376 /nfs/dbraw/zinc/88/83/76/944888376.db2.gz HIDHSTGNFOBSCQ-UHFFFAOYSA-N -1 3 355.362 0.245 20 50 FCGDHM CN(C)c1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000736773031 944889416 /nfs/dbraw/zinc/88/94/16/944889416.db2.gz JJICEHQHGGRLJT-UHFFFAOYSA-N -1 3 352.358 0.403 20 50 FCGDHM CN(C)c1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000736773031 944889419 /nfs/dbraw/zinc/88/94/19/944889419.db2.gz JJICEHQHGGRLJT-UHFFFAOYSA-N -1 3 352.358 0.403 20 50 FCGDHM CN(C[C@H]1CCCCO1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736795743 944890436 /nfs/dbraw/zinc/89/04/36/944890436.db2.gz XYWXOSGPEKUGQO-CYBMUJFWSA-N -1 3 359.390 0.722 20 50 FCGDHM CN(C[C@H]1CCCCO1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736795743 944890442 /nfs/dbraw/zinc/89/04/42/944890442.db2.gz XYWXOSGPEKUGQO-CYBMUJFWSA-N -1 3 359.390 0.722 20 50 FCGDHM CON=Cc1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737025174 944936400 /nfs/dbraw/zinc/93/64/00/944936400.db2.gz XEFCVRCRGIYGKZ-UHFFFAOYSA-N -1 3 365.353 0.922 20 50 FCGDHM CON=Cc1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737025174 944936407 /nfs/dbraw/zinc/93/64/07/944936407.db2.gz XEFCVRCRGIYGKZ-UHFFFAOYSA-N -1 3 365.353 0.922 20 50 FCGDHM COc1cccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000737132459 944966129 /nfs/dbraw/zinc/96/61/29/944966129.db2.gz YFUZMYGRSSIUEG-UHFFFAOYSA-N -1 3 368.357 0.415 20 50 FCGDHM COc1cccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000737132459 944966134 /nfs/dbraw/zinc/96/61/34/944966134.db2.gz YFUZMYGRSSIUEG-UHFFFAOYSA-N -1 3 368.357 0.415 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCC[S@@](C)=O)cc(-c2nnn[n-]2)n1C ZINC000737211366 944985197 /nfs/dbraw/zinc/98/51/97/944985197.db2.gz BWISTGBHFPBIST-VISBSAOHSA-N -1 3 361.431 0.305 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCC[S@@](C)=O)cc(-c2nn[n-]n2)n1C ZINC000737211366 944985201 /nfs/dbraw/zinc/98/52/01/944985201.db2.gz BWISTGBHFPBIST-VISBSAOHSA-N -1 3 361.431 0.305 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCO[C@@H](C#N)C2)cc(-c2nnn[n-]2)n1C ZINC000737212093 944990488 /nfs/dbraw/zinc/99/04/88/944990488.db2.gz HRDNRINCAMCBLB-YFTXEMMHSA-N -1 3 352.358 0.172 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCO[C@@H](C#N)C2)cc(-c2nn[n-]n2)n1C ZINC000737212093 944990498 /nfs/dbraw/zinc/99/04/98/944990498.db2.gz HRDNRINCAMCBLB-YFTXEMMHSA-N -1 3 352.358 0.172 20 50 FCGDHM Cc1ccc([C@@H](O)CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000737320635 945038547 /nfs/dbraw/zinc/03/85/47/945038547.db2.gz SQJYDVVPTPYCGF-LBPRGKRZSA-N -1 3 371.357 0.446 20 50 FCGDHM Cc1ccc([C@@H](O)CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000737320635 945038557 /nfs/dbraw/zinc/03/85/57/945038557.db2.gz SQJYDVVPTPYCGF-LBPRGKRZSA-N -1 3 371.357 0.446 20 50 FCGDHM CC(C)c1nnc(CCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820206102 945384677 /nfs/dbraw/zinc/38/46/77/945384677.db2.gz DREDOQBVXWVUES-UHFFFAOYSA-N -1 3 370.373 0.767 20 50 FCGDHM CC(C)c1nnc(CCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000820206102 945384691 /nfs/dbraw/zinc/38/46/91/945384691.db2.gz DREDOQBVXWVUES-UHFFFAOYSA-N -1 3 370.373 0.767 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CCOCC1 ZINC000820372765 945434322 /nfs/dbraw/zinc/43/43/22/945434322.db2.gz BRDFINLWMGASHU-SNVBAGLBSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCOCC1 ZINC000820372765 945434328 /nfs/dbraw/zinc/43/43/28/945434328.db2.gz BRDFINLWMGASHU-SNVBAGLBSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@@](O)(Cc1ccccc1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820467090 945457762 /nfs/dbraw/zinc/45/77/62/945457762.db2.gz ALUMEYROEOIAPB-GOSISDBHSA-N -1 3 366.381 0.621 20 50 FCGDHM C[C@@](O)(Cc1ccccc1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820467090 945457766 /nfs/dbraw/zinc/45/77/66/945457766.db2.gz ALUMEYROEOIAPB-GOSISDBHSA-N -1 3 366.381 0.621 20 50 FCGDHM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000820678516 945522763 /nfs/dbraw/zinc/52/27/63/945522763.db2.gz VRTFSOBDMNJELM-OASPWFOLSA-N -1 3 356.390 0.502 20 50 FCGDHM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000820678516 945522772 /nfs/dbraw/zinc/52/27/72/945522772.db2.gz VRTFSOBDMNJELM-OASPWFOLSA-N -1 3 356.390 0.502 20 50 FCGDHM C[C@H]1N(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCOC1(C)C ZINC000820821688 945561222 /nfs/dbraw/zinc/56/12/22/945561222.db2.gz UTHVXKFLUVAJLV-SNVBAGLBSA-N -1 3 359.390 0.720 20 50 FCGDHM C[C@H]1N(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCOC1(C)C ZINC000820821688 945561229 /nfs/dbraw/zinc/56/12/29/945561229.db2.gz UTHVXKFLUVAJLV-SNVBAGLBSA-N -1 3 359.390 0.720 20 50 FCGDHM CCC(=CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)CC ZINC000820833371 945566432 /nfs/dbraw/zinc/56/64/32/945566432.db2.gz WHVKSVJHESHTKT-UHFFFAOYSA-N -1 3 372.385 0.917 20 50 FCGDHM CCC(=CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)CC ZINC000820833371 945566440 /nfs/dbraw/zinc/56/64/40/945566440.db2.gz WHVKSVJHESHTKT-UHFFFAOYSA-N -1 3 372.385 0.917 20 50 FCGDHM CC[C@@H](CCO)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000820901594 945586744 /nfs/dbraw/zinc/58/67/44/945586744.db2.gz CKTZFUKBAIZOCW-OBTCNRAFSA-N -1 3 357.418 0.945 20 50 FCGDHM CC[C@@H](CCO)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000820901594 945586748 /nfs/dbraw/zinc/58/67/48/945586748.db2.gz CKTZFUKBAIZOCW-OBTCNRAFSA-N -1 3 357.418 0.945 20 50 FCGDHM CCC[C@H](C)CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821016620 945613865 /nfs/dbraw/zinc/61/38/65/945613865.db2.gz YAAGBDPWSPYKAQ-NSHDSACASA-N -1 3 374.401 0.997 20 50 FCGDHM CCC[C@H](C)CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821016620 945613869 /nfs/dbraw/zinc/61/38/69/945613869.db2.gz YAAGBDPWSPYKAQ-NSHDSACASA-N -1 3 374.401 0.997 20 50 FCGDHM CCN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)Cc1ccoc1 ZINC000821165813 945646206 /nfs/dbraw/zinc/64/62/06/945646206.db2.gz WKZGWOHLLKFYGB-UHFFFAOYSA-N -1 3 369.385 0.743 20 50 FCGDHM CCN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)Cc1ccoc1 ZINC000821165813 945646210 /nfs/dbraw/zinc/64/62/10/945646210.db2.gz WKZGWOHLLKFYGB-UHFFFAOYSA-N -1 3 369.385 0.743 20 50 FCGDHM CCN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cc1ccoc1 ZINC000821165476 945646856 /nfs/dbraw/zinc/64/68/56/945646856.db2.gz SVZSRFPDWINNOO-UHFFFAOYSA-N -1 3 369.385 0.743 20 50 FCGDHM CCN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cc1ccoc1 ZINC000821165476 945646866 /nfs/dbraw/zinc/64/68/66/945646866.db2.gz SVZSRFPDWINNOO-UHFFFAOYSA-N -1 3 369.385 0.743 20 50 FCGDHM CN(CCCn1ccnc1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821601755 945737624 /nfs/dbraw/zinc/73/76/24/945737624.db2.gz YFTQVGKDWNHHNL-UHFFFAOYSA-N -1 3 369.389 0.440 20 50 FCGDHM CNC(=O)[C@H](C)CN(C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821629818 945757953 /nfs/dbraw/zinc/75/79/53/945757953.db2.gz CJDJYABZQMQWMM-KUKWCLJQSA-N -1 3 370.417 0.261 20 50 FCGDHM CNC(=O)[C@H](C)CN(C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821629818 945757960 /nfs/dbraw/zinc/75/79/60/945757960.db2.gz CJDJYABZQMQWMM-KUKWCLJQSA-N -1 3 370.417 0.261 20 50 FCGDHM CNC(=O)C1(C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000821631507 945760828 /nfs/dbraw/zinc/76/08/28/945760828.db2.gz KNJLPZPXBAKDMT-UHFFFAOYSA-N -1 3 369.307 0.855 20 50 FCGDHM CNC(=O)C1(C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CC1 ZINC000821631507 945760836 /nfs/dbraw/zinc/76/08/36/945760836.db2.gz KNJLPZPXBAKDMT-UHFFFAOYSA-N -1 3 369.307 0.855 20 50 FCGDHM COC(=O)NCC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821664676 945786654 /nfs/dbraw/zinc/78/66/54/945786654.db2.gz DUGVDHVQHDLFOQ-UHFFFAOYSA-N -1 3 359.268 0.685 20 50 FCGDHM COC(=O)NCC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821664676 945786661 /nfs/dbraw/zinc/78/66/61/945786661.db2.gz DUGVDHVQHDLFOQ-UHFFFAOYSA-N -1 3 359.268 0.685 20 50 FCGDHM CO[C@H](CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(C)(C)C ZINC000821677505 945795457 /nfs/dbraw/zinc/79/54/57/945795457.db2.gz YNNFLTUQLJDPRZ-GFCCVEGCSA-N -1 3 361.406 0.872 20 50 FCGDHM CO[C@H](CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(C)(C)C ZINC000821677505 945795464 /nfs/dbraw/zinc/79/54/64/945795464.db2.gz YNNFLTUQLJDPRZ-GFCCVEGCSA-N -1 3 361.406 0.872 20 50 FCGDHM COCC(=O)NN=C(C)c1cnn(-c2ccc(-c3nn[n-]n3)cc2)c1C ZINC000821680755 945801237 /nfs/dbraw/zinc/80/12/37/945801237.db2.gz TWMKWRCAFABMFG-UHFFFAOYSA-N -1 3 354.374 0.847 20 50 FCGDHM CS(=O)(=O)c1ccccc1NNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000821942436 945905735 /nfs/dbraw/zinc/90/57/35/945905735.db2.gz NSTZHVRLGVBBOT-UHFFFAOYSA-N -1 3 372.410 0.956 20 50 FCGDHM CS(=O)(=O)c1ccccc1NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000821942436 945905742 /nfs/dbraw/zinc/90/57/42/945905742.db2.gz NSTZHVRLGVBBOT-UHFFFAOYSA-N -1 3 372.410 0.956 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCC[C@H]2CCOC2=O)cc(-c2nnn[n-]2)n1C ZINC000822028425 945943843 /nfs/dbraw/zinc/94/38/43/945943843.db2.gz NZLXKKILZPRPSM-NUBYWOLOSA-N -1 3 370.369 0.917 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCC[C@H]2CCOC2=O)cc(-c2nn[n-]n2)n1C ZINC000822028425 945943853 /nfs/dbraw/zinc/94/38/53/945943853.db2.gz NZLXKKILZPRPSM-NUBYWOLOSA-N -1 3 370.369 0.917 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)CC(C)C)cc(-c2nnn[n-]2)n1C ZINC000822029258 945952176 /nfs/dbraw/zinc/95/21/76/945952176.db2.gz WQZOMUGCSKIUHA-CNTYAEFGSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)CC(C)C)cc(-c2nn[n-]n2)n1C ZINC000822029258 945952184 /nfs/dbraw/zinc/95/21/84/945952184.db2.gz WQZOMUGCSKIUHA-CNTYAEFGSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCCN(C)C2=O)cc(-c2nnn[n-]2)n1C ZINC000822029404 945954681 /nfs/dbraw/zinc/95/46/81/945954681.db2.gz XXURZIFXRNUYEP-FFXRNRBCSA-N -1 3 368.401 0.158 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCCN(C)C2=O)cc(-c2nn[n-]n2)n1C ZINC000822029404 945954695 /nfs/dbraw/zinc/95/46/95/945954695.db2.gz XXURZIFXRNUYEP-FFXRNRBCSA-N -1 3 368.401 0.158 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CCO)C(C)C)cc(-c2nnn[n-]2)n1C ZINC000822029321 945954801 /nfs/dbraw/zinc/95/48/01/945954801.db2.gz XDHGHCWRWLOFRM-LVOZBFFPSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CCO)C(C)C)cc(-c2nn[n-]n2)n1C ZINC000822029321 945954807 /nfs/dbraw/zinc/95/48/07/945954807.db2.gz XDHGHCWRWLOFRM-LVOZBFFPSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OC[C@H]2COC(=O)O2)cc(-c2nnn[n-]2)n1C ZINC000822029434 945957917 /nfs/dbraw/zinc/95/79/17/945957917.db2.gz YRMLBSNHNRWAPA-CGXZDELUSA-N -1 3 358.314 0.499 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OC[C@H]2COC(=O)O2)cc(-c2nn[n-]n2)n1C ZINC000822029434 945957925 /nfs/dbraw/zinc/95/79/25/945957925.db2.gz YRMLBSNHNRWAPA-CGXZDELUSA-N -1 3 358.314 0.499 20 50 FCGDHM Cc1cc(C)c(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(=O)[nH]1 ZINC000822194396 945976873 /nfs/dbraw/zinc/97/68/73/945976873.db2.gz VZMYDVLHZFACFY-UHFFFAOYSA-N -1 3 353.342 0.659 20 50 FCGDHM Cc1cc(C)c(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(=O)[nH]1 ZINC000822194396 945976880 /nfs/dbraw/zinc/97/68/80/945976880.db2.gz VZMYDVLHZFACFY-UHFFFAOYSA-N -1 3 353.342 0.659 20 50 FCGDHM Cc1cc(C)cc(OCC(=O)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000822197724 945982562 /nfs/dbraw/zinc/98/25/62/945982562.db2.gz MSDQYVGGKWWNQW-UHFFFAOYSA-N -1 3 369.385 0.662 20 50 FCGDHM Cc1cc(C)cc(OCC(=O)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000822197724 945982567 /nfs/dbraw/zinc/98/25/67/945982567.db2.gz MSDQYVGGKWWNQW-UHFFFAOYSA-N -1 3 369.385 0.662 20 50 FCGDHM NC(=O)c1csc(C=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822889982 946212241 /nfs/dbraw/zinc/21/22/41/946212241.db2.gz KCQWCBNCNQEIGF-UHFFFAOYSA-N -1 3 371.382 0.556 20 50 FCGDHM O=C(C=C1CCC1)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018455 946274330 /nfs/dbraw/zinc/27/43/30/946274330.db2.gz OHQOJGAWFWISOX-UHFFFAOYSA-N -1 3 356.342 0.281 20 50 FCGDHM O=C(C=C1CCC1)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018455 946274339 /nfs/dbraw/zinc/27/43/39/946274339.db2.gz OHQOJGAWFWISOX-UHFFFAOYSA-N -1 3 356.342 0.281 20 50 FCGDHM O=C(COC(=O)c1ccoc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823027078 946280681 /nfs/dbraw/zinc/28/06/81/946280681.db2.gz LAJLJEYFEPIECY-UHFFFAOYSA-N -1 3 356.298 0.078 20 50 FCGDHM O=C(COC(=O)c1ccoc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823027078 946280691 /nfs/dbraw/zinc/28/06/91/946280691.db2.gz LAJLJEYFEPIECY-UHFFFAOYSA-N -1 3 356.298 0.078 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)N[C@@H]1CCSC1 ZINC000823036580 946285112 /nfs/dbraw/zinc/28/51/12/946285112.db2.gz IBBGWRSHTPWIOC-SNVBAGLBSA-N -1 3 363.403 0.081 20 50 FCGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000823103260 946309985 /nfs/dbraw/zinc/30/99/85/946309985.db2.gz BYKRGCPQYWXZNE-UHFFFAOYSA-N -1 3 367.325 0.779 20 50 FCGDHM O=C(NN=C1CCCc2cc(-c3nnn[n-]3)ccc21)[C@H]1CCS(=O)(=O)C1 ZINC000823269692 946366333 /nfs/dbraw/zinc/36/63/33/946366333.db2.gz MIGGTRNTVPUVFQ-LBPRGKRZSA-N -1 3 374.426 0.458 20 50 FCGDHM O=C(NN=C1CCCc2cc(-c3nn[n-]n3)ccc21)[C@H]1CCS(=O)(=O)C1 ZINC000823269692 946366349 /nfs/dbraw/zinc/36/63/49/946366349.db2.gz MIGGTRNTVPUVFQ-LBPRGKRZSA-N -1 3 374.426 0.458 20 50 FCGDHM O=C(NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12)C(=O)N1CCCC1 ZINC000823269907 946370275 /nfs/dbraw/zinc/37/02/75/946370275.db2.gz TWWYFTSWMYUKLE-UHFFFAOYSA-N -1 3 352.358 0.421 20 50 FCGDHM O=C(NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12)C(=O)N1CCCC1 ZINC000823269907 946370290 /nfs/dbraw/zinc/37/02/90/946370290.db2.gz TWWYFTSWMYUKLE-UHFFFAOYSA-N -1 3 352.358 0.421 20 50 FCGDHM O=C(NNC(=O)N1CC[C@@]2(CCOC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823277025 946394403 /nfs/dbraw/zinc/39/44/03/946394403.db2.gz CDYMHAFPJJZEDL-MRXNPFEDSA-N -1 3 357.374 0.334 20 50 FCGDHM O=C(NNC(=O)N1CC[C@@]2(CCOC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823277025 946394413 /nfs/dbraw/zinc/39/44/13/946394413.db2.gz CDYMHAFPJJZEDL-MRXNPFEDSA-N -1 3 357.374 0.334 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCC(F)(F)C1 ZINC000823277311 946400137 /nfs/dbraw/zinc/40/01/37/946400137.db2.gz JZVYKMRIFKVFIQ-SNVBAGLBSA-N -1 3 351.317 0.999 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCC(F)(F)C1 ZINC000823277311 946400144 /nfs/dbraw/zinc/40/01/44/946400144.db2.gz JZVYKMRIFKVFIQ-SNVBAGLBSA-N -1 3 351.317 0.999 20 50 FCGDHM O=[N+]([O-])c1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)CBr ZINC000826497707 948411648 /nfs/dbraw/zinc/41/16/48/948411648.db2.gz QVMIRLLVKQVNBR-UHFFFAOYSA-N -1 3 364.137 0.836 20 50 FCGDHM O=[N+]([O-])c1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)CBr ZINC000826497707 948411651 /nfs/dbraw/zinc/41/16/51/948411651.db2.gz QVMIRLLVKQVNBR-UHFFFAOYSA-N -1 3 364.137 0.836 20 50 FCGDHM CN(C)CCN1C[C@H](C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CC1=O ZINC001598230978 990936658 /nfs/dbraw/zinc/93/66/58/990936658.db2.gz KSZOMJYKHMUBAR-SNVBAGLBSA-N -1 3 368.821 0.891 20 50 FCGDHM Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826232633 607335601 /nfs/dbraw/zinc/33/56/01/607335601.db2.gz BAVFBZGCQYTFHY-UHFFFAOYSA-N -1 3 356.346 0.452 20 50 FCGDHM Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826232633 607335603 /nfs/dbraw/zinc/33/56/03/607335603.db2.gz BAVFBZGCQYTFHY-UHFFFAOYSA-N -1 3 356.346 0.452 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cnc2n(c1=O)CCS2 ZINC000826447396 607341269 /nfs/dbraw/zinc/34/12/69/607341269.db2.gz DCCOZBBVKUSRAN-UHFFFAOYSA-N -1 3 356.371 0.286 20 50 FCGDHM Cc1ccc2ncc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)c(=O)n2c1 ZINC000826295730 607343589 /nfs/dbraw/zinc/34/35/89/607343589.db2.gz VMCWALHBOKLHJE-UHFFFAOYSA-N -1 3 362.353 0.940 20 50 FCGDHM O=C(CNC(=O)Cc1ccccc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826423234 607347176 /nfs/dbraw/zinc/34/71/76/607347176.db2.gz DZNCYFXNGWVBNC-UHFFFAOYSA-N -1 3 351.370 0.669 20 50 FCGDHM NC(=O)COc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826391326 607351823 /nfs/dbraw/zinc/35/18/23/607351823.db2.gz GJEQNQSWSUQYEG-UHFFFAOYSA-N -1 3 353.342 0.488 20 50 FCGDHM C[C@]12CCC(=O)N1[C@H](C(=O)NNc1ccc(-c3nn[n-]n3)cc1)CS2 ZINC000824852305 607352603 /nfs/dbraw/zinc/35/26/03/607352603.db2.gz JZBWYVIIHRDRBZ-NHYWBVRUSA-N -1 3 359.415 0.764 20 50 FCGDHM NS(=O)(=O)Cc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826394210 607354328 /nfs/dbraw/zinc/35/43/28/607354328.db2.gz BFQDHLKRTJCMMU-UHFFFAOYSA-N -1 3 373.398 0.412 20 50 FCGDHM O=C(Cn1cc(Br)cn1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826424521 607354462 /nfs/dbraw/zinc/35/44/62/607354462.db2.gz PZEHQVKTQVSPEJ-UHFFFAOYSA-N -1 3 363.179 0.969 20 50 FCGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@H]1CCC(=O)N1 ZINC000826479586 607395387 /nfs/dbraw/zinc/39/53/87/607395387.db2.gz CCYXZLVTOWGVOC-SECBINFHSA-N -1 3 355.280 0.607 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@H]1CCC(=O)N1 ZINC000826479586 607395389 /nfs/dbraw/zinc/39/53/89/607395389.db2.gz CCYXZLVTOWGVOC-SECBINFHSA-N -1 3 355.280 0.607 20 50 FCGDHM O=C(Cn1cncn1)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826425444 607395653 /nfs/dbraw/zinc/39/56/53/607395653.db2.gz DRNOIVUYUDADKS-UHFFFAOYSA-N -1 3 353.268 0.620 20 50 FCGDHM O=C(Cn1cncn1)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826425444 607395655 /nfs/dbraw/zinc/39/56/55/607395655.db2.gz DRNOIVUYUDADKS-UHFFFAOYSA-N -1 3 353.268 0.620 20 50 FCGDHM CS(=O)(=O)c1ccc(NC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cn1 ZINC000826224206 607671926 /nfs/dbraw/zinc/67/19/26/607671926.db2.gz UMTMGLMLFQQBLL-UHFFFAOYSA-N -1 3 374.386 0.814 20 50 FCGDHM O=C(NNC(=O)c1cc(Br)c[nH]1)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826445228 607686793 /nfs/dbraw/zinc/68/67/93/607686793.db2.gz LKHDDZYWOWLDRU-UHFFFAOYSA-N -1 3 365.151 0.360 20 50 FCGDHM O=C(NNC(=O)c1cc(Br)c[nH]1)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826445228 607686795 /nfs/dbraw/zinc/68/67/95/607686795.db2.gz LKHDDZYWOWLDRU-UHFFFAOYSA-N -1 3 365.151 0.360 20 50 FCGDHM C[C@]1(CCCC(=O)NNc2cccc(-c3nnn[n-]3)c2)NC(=O)NC1=O ZINC000824818719 607730876 /nfs/dbraw/zinc/73/08/76/607730876.db2.gz VKPCUEAKRUNVOI-OAHLLOKOSA-N -1 3 358.362 0.078 20 50 FCGDHM C[C@]1(CCCC(=O)NNc2cccc(-c3nn[n-]n3)c2)NC(=O)NC1=O ZINC000824818719 607730879 /nfs/dbraw/zinc/73/08/79/607730879.db2.gz VKPCUEAKRUNVOI-OAHLLOKOSA-N -1 3 358.362 0.078 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@H]1CCOC2(CCC2)C1 ZINC000823277572 607173598 /nfs/dbraw/zinc/17/35/98/607173598.db2.gz QNSFDZBQPIFCCC-ZDUSSCGKSA-N -1 3 371.401 0.912 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@H]1CCOC2(CCC2)C1 ZINC000823277572 607173599 /nfs/dbraw/zinc/17/35/99/607173599.db2.gz QNSFDZBQPIFCCC-ZDUSSCGKSA-N -1 3 371.401 0.912 20 50 FCGDHM CS[C@@H](C)CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000826225694 607782549 /nfs/dbraw/zinc/78/25/49/607782549.db2.gz IMPXDQOLPGIASY-VIFPVBQESA-N -1 3 365.419 0.327 20 50 FCGDHM CS[C@@H](C)CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000826225694 607782550 /nfs/dbraw/zinc/78/25/50/607782550.db2.gz IMPXDQOLPGIASY-VIFPVBQESA-N -1 3 365.419 0.327 20 50 FCGDHM Cc1cccnc1C(=O)NN[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826308199 607785223 /nfs/dbraw/zinc/78/52/23/607785223.db2.gz OFYKKHYGENICHU-CYBMUJFWSA-N -1 3 352.358 0.031 20 50 FCGDHM Cc1cccnc1C(=O)NN[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826308199 607785224 /nfs/dbraw/zinc/78/52/24/607785224.db2.gz OFYKKHYGENICHU-CYBMUJFWSA-N -1 3 352.358 0.031 20 50 FCGDHM Cc1c(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)cnn1C ZINC000826236257 608000181 /nfs/dbraw/zinc/00/01/81/608000181.db2.gz FIVGRLSAODVUDY-WLRTZDKTSA-N -1 3 365.401 0.779 20 50 FCGDHM Cc1c(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)cnn1C ZINC000826236257 608000182 /nfs/dbraw/zinc/00/01/82/608000182.db2.gz FIVGRLSAODVUDY-WLRTZDKTSA-N -1 3 365.401 0.779 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)C1SCCS1 ZINC000826417457 608046895 /nfs/dbraw/zinc/04/68/95/608046895.db2.gz RPQKSWJREIGNQS-UHFFFAOYSA-N -1 3 366.428 0.199 20 50 FCGDHM O=C(CSCC(F)(F)F)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826420134 608057537 /nfs/dbraw/zinc/05/75/37/608057537.db2.gz ZVMNXCOZJBSPPU-UHFFFAOYSA-N -1 3 360.321 0.923 20 50 FCGDHM O=C(CSCC(F)(F)F)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826420134 608057538 /nfs/dbraw/zinc/05/75/38/608057538.db2.gz ZVMNXCOZJBSPPU-UHFFFAOYSA-N -1 3 360.321 0.923 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NNc2ncc(F)cn2)cc(-c2nnn[n-]2)n1C ZINC000826235227 608075535 /nfs/dbraw/zinc/07/55/35/608075535.db2.gz FRUHEKXFFNGNOY-KMKOMSMNSA-N -1 3 368.336 0.493 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NNc2ncc(F)cn2)cc(-c2nn[n-]n2)n1C ZINC000826235227 608075536 /nfs/dbraw/zinc/07/55/36/608075536.db2.gz FRUHEKXFFNGNOY-KMKOMSMNSA-N -1 3 368.336 0.493 20 50 FCGDHM CCOC(=O)CN(CC)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825511879 608199867 /nfs/dbraw/zinc/19/98/67/608199867.db2.gz JMFLRLOCZHEBNA-QPEQYQDCSA-N -1 3 371.401 0.832 20 50 FCGDHM CCOC(=O)CN(CC)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825511879 608199869 /nfs/dbraw/zinc/19/98/69/608199869.db2.gz JMFLRLOCZHEBNA-QPEQYQDCSA-N -1 3 371.401 0.832 20 50 FCGDHM CO[C@H]1CCC[C@H]1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826145690 608409222 /nfs/dbraw/zinc/40/92/22/608409222.db2.gz KYFGGQOMLKFWMP-STQMWFEESA-N -1 3 359.390 0.626 20 50 FCGDHM CO[C@H]1CCC[C@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826145690 608409224 /nfs/dbraw/zinc/40/92/24/608409224.db2.gz KYFGGQOMLKFWMP-STQMWFEESA-N -1 3 359.390 0.626 20 50 FCGDHM CO[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826145687 608409548 /nfs/dbraw/zinc/40/95/48/608409548.db2.gz KYFGGQOMLKFWMP-CHWSQXEVSA-N -1 3 359.390 0.626 20 50 FCGDHM CO[C@@H]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826145687 608409550 /nfs/dbraw/zinc/40/95/50/608409550.db2.gz KYFGGQOMLKFWMP-CHWSQXEVSA-N -1 3 359.390 0.626 20 50 FCGDHM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)O1 ZINC000825838775 608536691 /nfs/dbraw/zinc/53/66/91/608536691.db2.gz CDDPZBQMHDZZNY-CHWSQXEVSA-N -1 3 374.405 0.129 20 50 FCGDHM CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)O1 ZINC000825838775 608536692 /nfs/dbraw/zinc/53/66/92/608536692.db2.gz CDDPZBQMHDZZNY-CHWSQXEVSA-N -1 3 374.405 0.129 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCc2ccn(C)n2)cc(-c2nnn[n-]2)n1C ZINC000826235803 609155338 /nfs/dbraw/zinc/15/53/38/609155338.db2.gz RRJXJFHFMMPJBO-SDQBBNPISA-N -1 3 352.358 0.898 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCc2ccn(C)n2)cc(-c2nn[n-]n2)n1C ZINC000826235803 609155340 /nfs/dbraw/zinc/15/53/40/609155340.db2.gz RRJXJFHFMMPJBO-SDQBBNPISA-N -1 3 352.358 0.898 20 50 FCGDHM CCc1ccc(C(=O)NNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000825704927 609182849 /nfs/dbraw/zinc/18/28/49/609182849.db2.gz QKUGAZBCFYNEQY-OAHLLOKOSA-N -1 3 366.381 0.924 20 50 FCGDHM CCc1ccc(C(=O)NNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825704927 609182851 /nfs/dbraw/zinc/18/28/51/609182851.db2.gz QKUGAZBCFYNEQY-OAHLLOKOSA-N -1 3 366.381 0.924 20 50 FCGDHM N#Cc1ccc([C@H](O)C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000826385117 609216775 /nfs/dbraw/zinc/21/67/75/609216775.db2.gz XVXGHPJYKFIHEW-AWEZNQCLSA-N -1 3 363.337 0.233 20 50 FCGDHM N#Cc1ccc([C@H](O)C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826385117 609216778 /nfs/dbraw/zinc/21/67/78/609216778.db2.gz XVXGHPJYKFIHEW-AWEZNQCLSA-N -1 3 363.337 0.233 20 50 FCGDHM N#Cc1cccc(C(=O)NNC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826386807 609224413 /nfs/dbraw/zinc/22/44/13/609224413.db2.gz TYMNLBRPODQZPZ-AWEZNQCLSA-N -1 3 363.337 0.233 20 50 FCGDHM N#Cc1cccc(C(=O)NNC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826386807 609224415 /nfs/dbraw/zinc/22/44/15/609224415.db2.gz TYMNLBRPODQZPZ-AWEZNQCLSA-N -1 3 363.337 0.233 20 50 FCGDHM COc1ccccc1C(=O)NNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826218107 609227271 /nfs/dbraw/zinc/22/72/71/609227271.db2.gz PHWQYAXBGNBRJR-AWEZNQCLSA-N -1 3 368.353 0.370 20 50 FCGDHM N#CCc1ccccc1CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826382421 609232944 /nfs/dbraw/zinc/23/29/44/609232944.db2.gz DJHATZLLHUUBDE-UHFFFAOYSA-N -1 3 361.365 0.936 20 50 FCGDHM N#CCc1ccccc1CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826382421 609232945 /nfs/dbraw/zinc/23/29/45/609232945.db2.gz DJHATZLLHUUBDE-UHFFFAOYSA-N -1 3 361.365 0.936 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC(=O)NCC2CC2)cc(-c2nnn[n-]2)n1C ZINC000826235051 609403203 /nfs/dbraw/zinc/40/32/03/609403203.db2.gz ANSPKJBTYWZGEC-WLRTZDKTSA-N -1 3 368.401 0.063 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC(=O)NCC2CC2)cc(-c2nn[n-]n2)n1C ZINC000826235051 609403205 /nfs/dbraw/zinc/40/32/05/609403205.db2.gz ANSPKJBTYWZGEC-WLRTZDKTSA-N -1 3 368.401 0.063 20 50 FCGDHM Cc1ccc(OCC(=O)NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1C ZINC000826291985 609408673 /nfs/dbraw/zinc/40/86/73/609408673.db2.gz DFGCHCCTZWNTKY-UHFFFAOYSA-N -1 3 355.358 0.652 20 50 FCGDHM Cc1ccc(OCC(=O)NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1C ZINC000826291985 609408675 /nfs/dbraw/zinc/40/86/75/609408675.db2.gz DFGCHCCTZWNTKY-UHFFFAOYSA-N -1 3 355.358 0.652 20 50 FCGDHM CC(C)(C)C[C@@H](CO)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824080170 609445107 /nfs/dbraw/zinc/44/51/07/609445107.db2.gz VROXQMJIEURPTN-LBPRGKRZSA-N -1 3 361.406 0.608 20 50 FCGDHM CC(C)(C)C[C@@H](CO)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824080170 609445108 /nfs/dbraw/zinc/44/51/08/609445108.db2.gz VROXQMJIEURPTN-LBPRGKRZSA-N -1 3 361.406 0.608 20 50 FCGDHM O=C(CS[C@@H]1CCCOC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826419647 609526552 /nfs/dbraw/zinc/52/65/52/609526552.db2.gz GNYRZWJUJDCGJU-GFCCVEGCSA-N -1 3 362.415 0.540 20 50 FCGDHM O=C(CS[C@@H]1CCCOC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826419647 609526554 /nfs/dbraw/zinc/52/65/54/609526554.db2.gz GNYRZWJUJDCGJU-GFCCVEGCSA-N -1 3 362.415 0.540 20 50 FCGDHM COc1cccc(NNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000826216825 609601769 /nfs/dbraw/zinc/60/17/69/609601769.db2.gz PEZBBOPHBQRMPN-UHFFFAOYSA-N -1 3 369.345 0.241 20 50 FCGDHM CC[C@H](C)[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825051903 609642305 /nfs/dbraw/zinc/64/23/05/609642305.db2.gz ULLPQBUUTIBLMZ-QWRGUYRKSA-N -1 3 374.401 0.853 20 50 FCGDHM CC[C@H](C)[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825051903 609642306 /nfs/dbraw/zinc/64/23/06/609642306.db2.gz ULLPQBUUTIBLMZ-QWRGUYRKSA-N -1 3 374.401 0.853 20 50 FCGDHM Cc1cnn(CCNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737448848 945070684 /nfs/dbraw/zinc/07/06/84/945070684.db2.gz RAQVFFZWNXALPG-UHFFFAOYSA-N -1 3 355.362 0.016 20 50 FCGDHM Cc1cnn(CCNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737448848 945070696 /nfs/dbraw/zinc/07/06/96/945070696.db2.gz RAQVFFZWNXALPG-UHFFFAOYSA-N -1 3 355.362 0.016 20 50 FCGDHM Cc1csc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000737453727 945073640 /nfs/dbraw/zinc/07/36/40/945073640.db2.gz YEMVRVCAPGQBDB-UHFFFAOYSA-N -1 3 358.387 0.776 20 50 FCGDHM Cc1csc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000737453727 945073647 /nfs/dbraw/zinc/07/36/47/945073647.db2.gz YEMVRVCAPGQBDB-UHFFFAOYSA-N -1 3 358.387 0.776 20 50 FCGDHM Cn1nnc2cc(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)ccc21 ZINC000737626403 945104803 /nfs/dbraw/zinc/10/48/03/945104803.db2.gz BRAQFEBFOOKVDK-UHFFFAOYSA-N -1 3 363.341 0.223 20 50 FCGDHM Cn1nnc2cc(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)ccc21 ZINC000737626403 945104808 /nfs/dbraw/zinc/10/48/08/945104808.db2.gz BRAQFEBFOOKVDK-UHFFFAOYSA-N -1 3 363.341 0.223 20 50 FCGDHM N#Cc1ccc([C@H](NNC(=O)c2cccc(-c3nnn[n-]3)c2)C(N)=O)cc1 ZINC000737712420 945115030 /nfs/dbraw/zinc/11/50/30/945115030.db2.gz PUMPUKMUJNDGCR-AWEZNQCLSA-N -1 3 362.353 0.199 20 50 FCGDHM N#Cc1ccc([C@H](NNC(=O)c2cccc(-c3nn[n-]n3)c2)C(N)=O)cc1 ZINC000737712420 945115033 /nfs/dbraw/zinc/11/50/33/945115033.db2.gz PUMPUKMUJNDGCR-AWEZNQCLSA-N -1 3 362.353 0.199 20 50 FCGDHM N#Cc1cccc(C(=O)NNC(=O)NCc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737721636 945116592 /nfs/dbraw/zinc/11/65/92/945116592.db2.gz AYKPIGKPXBXJBI-UHFFFAOYSA-N -1 3 362.353 0.883 20 50 FCGDHM NC(=O)c1cccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737760711 945123158 /nfs/dbraw/zinc/12/31/58/945123158.db2.gz KECJIJGHVAHKFY-UHFFFAOYSA-N -1 3 351.326 0.040 20 50 FCGDHM NC(=O)c1cccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737760711 945123161 /nfs/dbraw/zinc/12/31/61/945123161.db2.gz KECJIJGHVAHKFY-UHFFFAOYSA-N -1 3 351.326 0.040 20 50 FCGDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1cccnc1 ZINC000737893643 945146968 /nfs/dbraw/zinc/14/69/68/945146968.db2.gz CEQBJPRBPPUVBF-UHFFFAOYSA-N -1 3 352.358 0.064 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=S)NCC1CCC1 ZINC000737918509 945152113 /nfs/dbraw/zinc/15/21/13/945152113.db2.gz IJFBHVHAGWRION-UHFFFAOYSA-N -1 3 361.431 0.541 20 50 FCGDHM O=C(Cc1ccccn1)NNC(=O)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000737975346 945170419 /nfs/dbraw/zinc/17/04/19/945170419.db2.gz YTIBYVSNZVULKF-UHFFFAOYSA-N -1 3 370.348 0.474 20 50 FCGDHM O=C(Cc1ccccn1)NNC(=O)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000737975346 945170433 /nfs/dbraw/zinc/17/04/33/945170433.db2.gz YTIBYVSNZVULKF-UHFFFAOYSA-N -1 3 370.348 0.474 20 50 FCGDHM O=C(NC[C@@H](O)c1ccsc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738042153 945175149 /nfs/dbraw/zinc/17/51/49/945175149.db2.gz VVSYTBZDANWFBE-GFCCVEGCSA-N -1 3 373.398 0.606 20 50 FCGDHM O=C(NC[C@@H](O)c1ccsc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738042153 945175153 /nfs/dbraw/zinc/17/51/53/945175153.db2.gz VVSYTBZDANWFBE-GFCCVEGCSA-N -1 3 373.398 0.606 20 50 FCGDHM O=C(NNC(=O)[C@H]1COc2ccccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738130787 945211525 /nfs/dbraw/zinc/21/15/25/945211525.db2.gz WBBUQULBKGQRQQ-CQSZACIVSA-N -1 3 364.365 0.879 20 50 FCGDHM O=C(NNC(=O)[C@H]1COc2ccccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130787 945211530 /nfs/dbraw/zinc/21/15/30/945211530.db2.gz WBBUQULBKGQRQQ-CQSZACIVSA-N -1 3 364.365 0.879 20 50 FCGDHM C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000819884390 945307303 /nfs/dbraw/zinc/30/73/03/945307303.db2.gz WANKDSVTGXFOEM-JTQLQIEISA-N -1 3 374.401 0.853 20 50 FCGDHM C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000819884390 945307312 /nfs/dbraw/zinc/30/73/12/945307312.db2.gz WANKDSVTGXFOEM-JTQLQIEISA-N -1 3 374.401 0.853 20 50 FCGDHM CC(C)(C)CCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819907001 945312850 /nfs/dbraw/zinc/31/28/50/945312850.db2.gz KJSMSUTZEKNIRX-UHFFFAOYSA-N -1 3 374.401 0.997 20 50 FCGDHM CC(C)(C)CCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819907001 945312859 /nfs/dbraw/zinc/31/28/59/945312859.db2.gz KJSMSUTZEKNIRX-UHFFFAOYSA-N -1 3 374.401 0.997 20 50 FCGDHM CC(C)[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820016181 945331590 /nfs/dbraw/zinc/33/15/90/945331590.db2.gz KFHBWKAYAKFYRJ-SNVBAGLBSA-N -1 3 360.374 0.463 20 50 FCGDHM CC(C)[C@@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820016181 945331599 /nfs/dbraw/zinc/33/15/99/945331599.db2.gz KFHBWKAYAKFYRJ-SNVBAGLBSA-N -1 3 360.374 0.463 20 50 FCGDHM CC(C)(C)C(=O)NNC(=O)N1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC000735589071 944676480 /nfs/dbraw/zinc/67/64/80/944676480.db2.gz IOLWHOWBEGJUQT-UHFFFAOYSA-N -1 3 373.421 0.171 20 50 FCGDHM CC(C)(C)C(=O)NNC(=O)N1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC000735589071 944676486 /nfs/dbraw/zinc/67/64/86/944676486.db2.gz IOLWHOWBEGJUQT-UHFFFAOYSA-N -1 3 373.421 0.171 20 50 FCGDHM CC(C)CCC(=O)NCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735796311 944700609 /nfs/dbraw/zinc/70/06/09/944700609.db2.gz ZOXXULVUQKJJJA-UHFFFAOYSA-N -1 3 359.390 0.180 20 50 FCGDHM CC(C)CCC(=O)NCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735796311 944700620 /nfs/dbraw/zinc/70/06/20/944700620.db2.gz ZOXXULVUQKJJJA-UHFFFAOYSA-N -1 3 359.390 0.180 20 50 FCGDHM CC(C)NC(=O)CCCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735884987 944709190 /nfs/dbraw/zinc/70/91/90/944709190.db2.gz STISJFBQXHCZDL-UHFFFAOYSA-N -1 3 359.390 0.323 20 50 FCGDHM CC(C)NC(=O)CCCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735884987 944709195 /nfs/dbraw/zinc/70/91/95/944709195.db2.gz STISJFBQXHCZDL-UHFFFAOYSA-N -1 3 359.390 0.323 20 50 FCGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)Cc1cccnc1 ZINC000736167226 944751599 /nfs/dbraw/zinc/75/15/99/944751599.db2.gz CNLYCTHYFJVKQH-LLVKDONJSA-N -1 3 367.369 0.419 20 50 FCGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NN=c1nc[nH]c2[nH]cnc21 ZINC000736171105 944752885 /nfs/dbraw/zinc/75/28/85/944752885.db2.gz ZNTHCAFEURBQNS-MRVPVSSYSA-N -1 3 366.345 0.444 20 50 FCGDHM CC1(C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)[C@H]2CCO[C@@H]21 ZINC000736204689 944761225 /nfs/dbraw/zinc/76/12/25/944761225.db2.gz FSPYAYHGBUTMIG-UPJWGTAASA-N -1 3 371.401 0.624 20 50 FCGDHM CC1(C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)[C@H]2CCO[C@@H]21 ZINC000736204689 944761232 /nfs/dbraw/zinc/76/12/32/944761232.db2.gz FSPYAYHGBUTMIG-UPJWGTAASA-N -1 3 371.401 0.624 20 50 FCGDHM CC1(C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H]2CCO[C@@H]21 ZINC000736206441 944762619 /nfs/dbraw/zinc/76/26/19/944762619.db2.gz OJOBZGIAZKXGPG-UPJWGTAASA-N -1 3 371.401 0.624 20 50 FCGDHM CC1(C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H]2CCO[C@@H]21 ZINC000736206441 944762627 /nfs/dbraw/zinc/76/26/27/944762627.db2.gz OJOBZGIAZKXGPG-UPJWGTAASA-N -1 3 371.401 0.624 20 50 FCGDHM CN(C)c1nccc(=NNC(=O)COc2ccccc2-c2nnn[n-]2)[nH]1 ZINC000736778510 944888467 /nfs/dbraw/zinc/88/84/67/944888467.db2.gz HJJHPBQFPFVRMC-UHFFFAOYSA-N -1 3 355.362 0.245 20 50 FCGDHM CN(C)c1nccc(=NNC(=O)COc2ccccc2-c2nn[n-]n2)[nH]1 ZINC000736778510 944888472 /nfs/dbraw/zinc/88/84/72/944888472.db2.gz HJJHPBQFPFVRMC-UHFFFAOYSA-N -1 3 355.362 0.245 20 50 FCGDHM CN(C[C@@H]1CCCOC1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736791363 944890399 /nfs/dbraw/zinc/89/03/99/944890399.db2.gz LZFVUPKXCAVOHT-NSHDSACASA-N -1 3 359.390 0.580 20 50 FCGDHM CN(C[C@@H]1CCCOC1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736791363 944890405 /nfs/dbraw/zinc/89/04/05/944890405.db2.gz LZFVUPKXCAVOHT-NSHDSACASA-N -1 3 359.390 0.580 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cc1ccccc1 ZINC000736784156 944890762 /nfs/dbraw/zinc/89/07/62/944890762.db2.gz RYRMCMMJWLTNEA-UHFFFAOYSA-N -1 3 365.397 0.760 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cc1ccccc1 ZINC000736784156 944890767 /nfs/dbraw/zinc/89/07/67/944890767.db2.gz RYRMCMMJWLTNEA-UHFFFAOYSA-N -1 3 365.397 0.760 20 50 FCGDHM CO[C@@H](CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C(F)(F)F ZINC000736961745 944919792 /nfs/dbraw/zinc/91/97/92/944919792.db2.gz LPIMUJDIUVUPHS-VIFPVBQESA-N -1 3 373.295 0.388 20 50 FCGDHM CO[C@@H](CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C(F)(F)F ZINC000736961745 944919795 /nfs/dbraw/zinc/91/97/95/944919795.db2.gz LPIMUJDIUVUPHS-VIFPVBQESA-N -1 3 373.295 0.388 20 50 FCGDHM COCC[C@H](C)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736978479 944924065 /nfs/dbraw/zinc/92/40/65/944924065.db2.gz KXHAFFYBQFADRQ-JTQLQIEISA-N -1 3 363.378 0.001 20 50 FCGDHM COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000737046315 944939454 /nfs/dbraw/zinc/93/94/54/944939454.db2.gz ATDSBQYUAQVGIE-UHFFFAOYSA-N -1 3 373.760 0.999 20 50 FCGDHM COc1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000737072584 944944636 /nfs/dbraw/zinc/94/46/36/944944636.db2.gz SLWZGWULEKEAEJ-UHFFFAOYSA-N -1 3 368.353 0.959 20 50 FCGDHM COc1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000737072584 944944642 /nfs/dbraw/zinc/94/46/42/944944642.db2.gz SLWZGWULEKEAEJ-UHFFFAOYSA-N -1 3 368.353 0.959 20 50 FCGDHM CSC[C@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737177018 944976641 /nfs/dbraw/zinc/97/66/41/944976641.db2.gz QHGFFFSAIQKKOK-VIFPVBQESA-N -1 3 365.419 0.327 20 50 FCGDHM CSC[C@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737177018 944976643 /nfs/dbraw/zinc/97/66/43/944976643.db2.gz QHGFFFSAIQKKOK-VIFPVBQESA-N -1 3 365.419 0.327 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2nccn2C)cc(-c2nnn[n-]2)n1C ZINC000737211587 944986182 /nfs/dbraw/zinc/98/61/82/944986182.db2.gz DGOAMYVKQHAPNT-WUXMJOGZSA-N -1 3 351.374 0.471 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2nccn2C)cc(-c2nn[n-]n2)n1C ZINC000737211587 944986192 /nfs/dbraw/zinc/98/61/92/944986192.db2.gz DGOAMYVKQHAPNT-WUXMJOGZSA-N -1 3 351.374 0.471 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC(=O)OCC2CC2)cc(-c2nnn[n-]2)n1C ZINC000737213039 944998581 /nfs/dbraw/zinc/99/85/81/944998581.db2.gz PPTZWFQYMBEIML-ACAGNQJTSA-N -1 3 369.385 0.490 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC(=O)OCC2CC2)cc(-c2nn[n-]n2)n1C ZINC000737213039 944998588 /nfs/dbraw/zinc/99/85/88/944998588.db2.gz PPTZWFQYMBEIML-ACAGNQJTSA-N -1 3 369.385 0.490 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCn3ccnc3C2)cc(-c2nnn[n-]2)n1C ZINC000737213262 945002304 /nfs/dbraw/zinc/00/23/04/945002304.db2.gz RFHGFHVQIVHIAP-NTUHNPAUSA-N -1 3 363.385 0.660 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCn3ccnc3C2)cc(-c2nn[n-]n2)n1C ZINC000737213262 945002313 /nfs/dbraw/zinc/00/23/13/945002313.db2.gz RFHGFHVQIVHIAP-NTUHNPAUSA-N -1 3 363.385 0.660 20 50 FCGDHM Cc1cc(C(=O)NN[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c(C)o1 ZINC000737236874 945017594 /nfs/dbraw/zinc/01/75/94/945017594.db2.gz TUTALIRYXZNQKA-CYBMUJFWSA-N -1 3 355.358 0.538 20 50 FCGDHM Cc1cc(C(=O)NN[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c(C)o1 ZINC000737236874 945017602 /nfs/dbraw/zinc/01/76/02/945017602.db2.gz TUTALIRYXZNQKA-CYBMUJFWSA-N -1 3 355.358 0.538 20 50 FCGDHM C[C@@H](Cc1ccncc1)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820298870 945408525 /nfs/dbraw/zinc/40/85/25/945408525.db2.gz BSNLFJQDSWLWRW-NSHDSACASA-N -1 3 366.385 0.837 20 50 FCGDHM C[C@@H](Cc1ccncc1)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820298870 945408530 /nfs/dbraw/zinc/40/85/30/945408530.db2.gz BSNLFJQDSWLWRW-NSHDSACASA-N -1 3 366.385 0.837 20 50 FCGDHM C[C@H](Cc1ccncc1)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820298869 945409569 /nfs/dbraw/zinc/40/95/69/945409569.db2.gz BSNLFJQDSWLWRW-LLVKDONJSA-N -1 3 366.385 0.837 20 50 FCGDHM C[C@H](Cc1ccncc1)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820298869 945409577 /nfs/dbraw/zinc/40/95/77/945409577.db2.gz BSNLFJQDSWLWRW-LLVKDONJSA-N -1 3 366.385 0.837 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC000820375168 945441351 /nfs/dbraw/zinc/44/13/51/945441351.db2.gz ZEVQRASGRNWWRZ-SECBINFHSA-N -1 3 355.362 0.305 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC000820375168 945441354 /nfs/dbraw/zinc/44/13/54/945441354.db2.gz ZEVQRASGRNWWRZ-SECBINFHSA-N -1 3 355.362 0.305 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cnn(C)c1 ZINC000820375169 945441547 /nfs/dbraw/zinc/44/15/47/945441547.db2.gz ZEVQRASGRNWWRZ-VIFPVBQESA-N -1 3 355.362 0.305 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cnn(C)c1 ZINC000820375169 945441554 /nfs/dbraw/zinc/44/15/54/945441554.db2.gz ZEVQRASGRNWWRZ-VIFPVBQESA-N -1 3 355.362 0.305 20 50 FCGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@H]1CCCS1 ZINC000820529216 945476605 /nfs/dbraw/zinc/47/66/05/945476605.db2.gz PUWXOBXMSDPXFK-BXKDBHETSA-N -1 3 362.415 0.677 20 50 FCGDHM C[C@@H]1CC[C@@H](CCC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820690967 945529915 /nfs/dbraw/zinc/52/99/15/945529915.db2.gz URHADOYAYXAJLO-RISCZKNCSA-N -1 3 374.401 0.741 20 50 FCGDHM C[C@H]1CN(C2CC2)CC1=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820752480 945548423 /nfs/dbraw/zinc/54/84/23/945548423.db2.gz NOHUOQJFUBQKQZ-NSHDSACASA-N -1 3 355.402 0.832 20 50 FCGDHM C[C@H]1CN(C2CC2)CC1=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820752480 945548425 /nfs/dbraw/zinc/54/84/25/945548425.db2.gz NOHUOQJFUBQKQZ-NSHDSACASA-N -1 3 355.402 0.832 20 50 FCGDHM CC[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H](C)O1 ZINC000820995200 945609712 /nfs/dbraw/zinc/60/97/12/945609712.db2.gz NZMXXZSHJBVEHJ-FZMZJTMJSA-N -1 3 373.417 0.127 20 50 FCGDHM CC[C@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H](C)O1 ZINC000820995200 945609719 /nfs/dbraw/zinc/60/97/19/945609719.db2.gz NZMXXZSHJBVEHJ-FZMZJTMJSA-N -1 3 373.417 0.127 20 50 FCGDHM CCC[C@H]1C[C@H]1NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000821034181 945618452 /nfs/dbraw/zinc/61/84/52/945618452.db2.gz IMSJJKWUDLUARX-CMPLNLGQSA-N -1 3 359.390 0.765 20 50 FCGDHM CCC[C@H]1C[C@H]1NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000821034181 945618457 /nfs/dbraw/zinc/61/84/57/945618457.db2.gz IMSJJKWUDLUARX-CMPLNLGQSA-N -1 3 359.390 0.765 20 50 FCGDHM CCNC(=O)C1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000821276399 945663748 /nfs/dbraw/zinc/66/37/48/945663748.db2.gz KVIRHSLCEVFLDP-LFYBBSHMSA-N -1 3 368.401 0.015 20 50 FCGDHM CCNC(=O)C1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000821276399 945663762 /nfs/dbraw/zinc/66/37/62/945663762.db2.gz KVIRHSLCEVFLDP-LFYBBSHMSA-N -1 3 368.401 0.015 20 50 FCGDHM CCOC(=O)C[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821325849 945670441 /nfs/dbraw/zinc/67/04/41/945670441.db2.gz PEGTUOJSVVRGLD-BNDQCTAISA-N -1 3 371.401 0.879 20 50 FCGDHM CCOC(=O)C[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821325849 945670444 /nfs/dbraw/zinc/67/04/44/945670444.db2.gz PEGTUOJSVVRGLD-BNDQCTAISA-N -1 3 371.401 0.879 20 50 FCGDHM CN(C)c1cccc(C(=O)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)c1 ZINC000821589175 945727199 /nfs/dbraw/zinc/72/71/99/945727199.db2.gz AFISDJSMCGZLND-UHFFFAOYSA-N -1 3 354.374 0.346 20 50 FCGDHM CN(C)c1cccc(C(=O)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)c1 ZINC000821589175 945727207 /nfs/dbraw/zinc/72/72/07/945727207.db2.gz AFISDJSMCGZLND-UHFFFAOYSA-N -1 3 354.374 0.346 20 50 FCGDHM COC(=O)c1ccc(C=NNC(=O)COc2ccccc2-c2nnn[n-]2)[nH]1 ZINC000821668863 945788070 /nfs/dbraw/zinc/78/80/70/945788070.db2.gz MYTSMWDMCYCMDP-UHFFFAOYSA-N -1 3 369.341 0.511 20 50 FCGDHM COC(=O)c1ccc(C=NNC(=O)COc2ccccc2-c2nn[n-]n2)[nH]1 ZINC000821668863 945788076 /nfs/dbraw/zinc/78/80/76/945788076.db2.gz MYTSMWDMCYCMDP-UHFFFAOYSA-N -1 3 369.341 0.511 20 50 FCGDHM COCCO[C@@H](C)C(=O)NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12 ZINC000821692338 945824027 /nfs/dbraw/zinc/82/40/27/945824027.db2.gz VJLTUIFRCOJMHU-JTQLQIEISA-N -1 3 357.374 0.850 20 50 FCGDHM COCCO[C@@H](C)C(=O)NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12 ZINC000821692338 945824035 /nfs/dbraw/zinc/82/40/35/945824035.db2.gz VJLTUIFRCOJMHU-JTQLQIEISA-N -1 3 357.374 0.850 20 50 FCGDHM COc1ccccc1CC(=O)NNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821890875 945896637 /nfs/dbraw/zinc/89/66/37/945896637.db2.gz QGFOFHMWFOQTGN-UHFFFAOYSA-N -1 3 355.358 0.218 20 50 FCGDHM COc1ccccc1CC(=O)NNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821890875 945896643 /nfs/dbraw/zinc/89/66/43/945896643.db2.gz QGFOFHMWFOQTGN-UHFFFAOYSA-N -1 3 355.358 0.218 20 50 FCGDHM CS(=O)(=O)N1CCC(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000821933274 945907269 /nfs/dbraw/zinc/90/72/69/945907269.db2.gz YWHJPNCJYMLPNJ-UHFFFAOYSA-N -1 3 363.403 0.008 20 50 FCGDHM CS(=O)(=O)N1CCC(=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000821933274 945907274 /nfs/dbraw/zinc/90/72/74/945907274.db2.gz YWHJPNCJYMLPNJ-UHFFFAOYSA-N -1 3 363.403 0.008 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@]2(O)CCSC2)cc(-c2nnn[n-]2)n1C ZINC000822027610 945935820 /nfs/dbraw/zinc/93/58/20/945935820.db2.gz IQXBWPDXHPOJJZ-SRXKAHCNSA-N -1 3 373.442 0.405 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@]2(O)CCSC2)cc(-c2nn[n-]n2)n1C ZINC000822027610 945935823 /nfs/dbraw/zinc/93/58/23/945935823.db2.gz IQXBWPDXHPOJJZ-SRXKAHCNSA-N -1 3 373.442 0.405 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)C(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000822028663 945946830 /nfs/dbraw/zinc/94/68/30/945946830.db2.gz RMDSTQKOYFDZNT-IMAIQDNJSA-N -1 3 369.307 0.460 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)C(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000822028663 945946835 /nfs/dbraw/zinc/94/68/35/945946835.db2.gz RMDSTQKOYFDZNT-IMAIQDNJSA-N -1 3 369.307 0.460 20 50 FCGDHM Cc1cnc(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000822395255 946079643 /nfs/dbraw/zinc/07/96/43/946079643.db2.gz YOSNYULQYZOOMN-UHFFFAOYSA-N -1 3 358.387 0.776 20 50 FCGDHM Cc1cnc(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822395255 946079654 /nfs/dbraw/zinc/07/96/54/946079654.db2.gz YOSNYULQYZOOMN-UHFFFAOYSA-N -1 3 358.387 0.776 20 50 FCGDHM Cc1nnc([C@H](C)NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)o1 ZINC000822510244 946109309 /nfs/dbraw/zinc/10/93/09/946109309.db2.gz KGALDYHORKBVQG-LXVJHYFWSA-N -1 3 367.373 0.989 20 50 FCGDHM Cc1nnc([C@H](C)NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)o1 ZINC000822510244 946109315 /nfs/dbraw/zinc/10/93/15/946109315.db2.gz KGALDYHORKBVQG-LXVJHYFWSA-N -1 3 367.373 0.989 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNc1c(F)c(F)nc(F)c1F ZINC000822645922 946147303 /nfs/dbraw/zinc/14/73/03/946147303.db2.gz XCMBHAXCPKSXOS-UHFFFAOYSA-N -1 3 356.243 0.914 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNc1c(F)c(F)nc(F)c1F ZINC000822645922 946147306 /nfs/dbraw/zinc/14/73/06/946147306.db2.gz XCMBHAXCPKSXOS-UHFFFAOYSA-N -1 3 356.243 0.914 20 50 FCGDHM O=C(CC[C@@H]1CCOC1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822950659 946230011 /nfs/dbraw/zinc/23/00/11/946230011.db2.gz WSYLJUADKJBZDX-LLVKDONJSA-N -1 3 360.374 0.210 20 50 FCGDHM O=C(CNC(=O)c1cccs1)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823005136 946261998 /nfs/dbraw/zinc/26/19/98/946261998.db2.gz DBPBAOBPPNECSK-UHFFFAOYSA-N -1 3 361.412 0.870 20 50 FCGDHM O=C(CNC(=O)c1cccs1)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823005136 946262009 /nfs/dbraw/zinc/26/20/09/946262009.db2.gz DBPBAOBPPNECSK-UHFFFAOYSA-N -1 3 361.412 0.870 20 50 FCGDHM O=C(COC(=O)CC1CCCC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018450 946273308 /nfs/dbraw/zinc/27/33/08/946273308.db2.gz OEBLFSLDDVCXAF-UHFFFAOYSA-N -1 3 372.385 0.751 20 50 FCGDHM O=C(COC(=O)CC1CCCC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018450 946273320 /nfs/dbraw/zinc/27/33/20/946273320.db2.gz OEBLFSLDDVCXAF-UHFFFAOYSA-N -1 3 372.385 0.751 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@H]1CC12CCOCC2 ZINC000823037196 946286656 /nfs/dbraw/zinc/28/66/56/946286656.db2.gz SZHRMGCQRLKWMO-CYBMUJFWSA-N -1 3 372.385 0.210 20 50 FCGDHM O=C(COc1ccc(O)cc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823040635 946292393 /nfs/dbraw/zinc/29/23/93/946292393.db2.gz PQEZDJMZFWUPOF-UHFFFAOYSA-N -1 3 354.326 0.412 20 50 FCGDHM O=C(COc1ccc(O)cc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823040635 946292403 /nfs/dbraw/zinc/29/24/03/946292403.db2.gz PQEZDJMZFWUPOF-UHFFFAOYSA-N -1 3 354.326 0.412 20 50 FCGDHM O=C(NCCc1nnc2n1CCC2)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823229314 946350887 /nfs/dbraw/zinc/35/08/87/946350887.db2.gz LADFZXREOIGMAM-UHFFFAOYSA-N -1 3 354.378 0.273 20 50 FCGDHM O=C(NCCc1nnc2n1CCC2)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823229314 946350901 /nfs/dbraw/zinc/35/09/01/946350901.db2.gz LADFZXREOIGMAM-UHFFFAOYSA-N -1 3 354.378 0.273 20 50 FCGDHM O=C(NNC(=O)[C@@H]1CCc2c[nH]nc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000823273051 946371147 /nfs/dbraw/zinc/37/11/47/946371147.db2.gz CORGTDLNKGVRQU-LLVKDONJSA-N -1 3 352.358 0.156 20 50 FCGDHM C[C@]1(C#N)CCCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824777510 946930909 /nfs/dbraw/zinc/93/09/09/946930909.db2.gz JIBQGIZRRCORFB-MRXNPFEDSA-N -1 3 354.374 0.847 20 50 FCGDHM C[C@]1(C#N)CCCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824777510 946930915 /nfs/dbraw/zinc/93/09/15/946930915.db2.gz JIBQGIZRRCORFB-MRXNPFEDSA-N -1 3 354.374 0.847 20 50 FCGDHM C[C@H]1C[C@@H](C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824864547 946957253 /nfs/dbraw/zinc/95/72/53/946957253.db2.gz BZKNZSGBTPHQJT-JQWIXIFHSA-N -1 3 360.374 0.208 20 50 FCGDHM C[C@@]12CCC(=O)N1[C@H](C(=O)NNc1ccc(-c3nn[n-]n3)cc1)CS2 ZINC000824852306 607352590 /nfs/dbraw/zinc/35/25/90/607352590.db2.gz JZBWYVIIHRDRBZ-XHDPSFHLSA-N -1 3 359.415 0.764 20 50 FCGDHM COCCOCC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826160167 607394267 /nfs/dbraw/zinc/39/42/67/607394267.db2.gz HVJHWLWJJHEMEI-UHFFFAOYSA-N -1 3 360.296 0.992 20 50 FCGDHM COCCOCC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826160167 607394268 /nfs/dbraw/zinc/39/42/68/607394268.db2.gz HVJHWLWJJHEMEI-UHFFFAOYSA-N -1 3 360.296 0.992 20 50 FCGDHM C[C@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)N1CCSCC1 ZINC000824040709 607570819 /nfs/dbraw/zinc/57/08/19/607570819.db2.gz ULQDCFHLVLYQMS-SNVBAGLBSA-N -1 3 361.431 0.065 20 50 FCGDHM C[C@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)N1CCSCC1 ZINC000824040709 607570822 /nfs/dbraw/zinc/57/08/22/607570822.db2.gz ULQDCFHLVLYQMS-SNVBAGLBSA-N -1 3 361.431 0.065 20 50 FCGDHM CC[C@H](SC)C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825160315 607574307 /nfs/dbraw/zinc/57/43/07/607574307.db2.gz ZKWQRDNEDHELKP-NSHDSACASA-N -1 3 350.404 0.535 20 50 FCGDHM O=C(NCc1cccc(F)n1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826442861 607709575 /nfs/dbraw/zinc/70/95/75/607709575.db2.gz NGNPHTCPHUAVFI-UHFFFAOYSA-N -1 3 356.321 0.545 20 50 FCGDHM O=C(NCc1cccc(F)n1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826442861 607709577 /nfs/dbraw/zinc/70/95/77/607709577.db2.gz NGNPHTCPHUAVFI-UHFFFAOYSA-N -1 3 356.321 0.545 20 50 FCGDHM CC1(C)C[C@H]1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824796172 607712818 /nfs/dbraw/zinc/71/28/18/607712818.db2.gz MRWFERDTABGQGJ-NSHDSACASA-N -1 3 358.358 0.217 20 50 FCGDHM CC1(C)C[C@H]1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824796172 607712820 /nfs/dbraw/zinc/71/28/20/607712820.db2.gz MRWFERDTABGQGJ-NSHDSACASA-N -1 3 358.358 0.217 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000826448333 607718535 /nfs/dbraw/zinc/71/85/35/607718535.db2.gz QZLKMWTWPOROBU-ZJUUUORDSA-N -1 3 369.307 0.767 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000826448333 607718537 /nfs/dbraw/zinc/71/85/37/607718537.db2.gz QZLKMWTWPOROBU-ZJUUUORDSA-N -1 3 369.307 0.767 20 50 FCGDHM CCOC(=O)Nc1ccc(NC(=O)NNC(=O)OC)cc1-c1nnn[n-]1 ZINC000825539441 607765428 /nfs/dbraw/zinc/76/54/28/607765428.db2.gz OXYAINJRBMKBBK-UHFFFAOYSA-N -1 3 364.322 0.828 20 50 FCGDHM CCOC(=O)Nc1ccc(NC(=O)NNC(=O)OC)cc1-c1nn[n-]n1 ZINC000825539441 607765429 /nfs/dbraw/zinc/76/54/29/607765429.db2.gz OXYAINJRBMKBBK-UHFFFAOYSA-N -1 3 364.322 0.828 20 50 FCGDHM CC(=O)N1CC[C@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC000823974453 607781983 /nfs/dbraw/zinc/78/19/83/607781983.db2.gz PKJGPUOGJGROAX-YGRLFVJLSA-N -1 3 358.406 0.750 20 50 FCGDHM CC(=O)N1CC[C@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC000823974453 607781984 /nfs/dbraw/zinc/78/19/84/607781984.db2.gz PKJGPUOGJGROAX-YGRLFVJLSA-N -1 3 358.406 0.750 20 50 FCGDHM Cc1c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cccc1S(N)(=O)=O ZINC000826234778 607823063 /nfs/dbraw/zinc/82/30/63/607823063.db2.gz NKXWEPQUSOSKPR-UHFFFAOYSA-N -1 3 373.398 0.579 20 50 FCGDHM CC1=C(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCCO1 ZINC000824852708 607879725 /nfs/dbraw/zinc/87/97/25/607879725.db2.gz QKRDVJOYWZJBAV-UHFFFAOYSA-N -1 3 358.358 0.477 20 50 FCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=Cc1cnn2cccnc12 ZINC000826419082 607883165 /nfs/dbraw/zinc/88/31/65/607883165.db2.gz INGGTNWFZWCCJS-UHFFFAOYSA-N -1 3 363.341 0.439 20 50 FCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=Cc1cnn2cccnc12 ZINC000826419082 607883166 /nfs/dbraw/zinc/88/31/66/607883166.db2.gz INGGTNWFZWCCJS-UHFFFAOYSA-N -1 3 363.341 0.439 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cc1ccsc1 ZINC000825892531 607920634 /nfs/dbraw/zinc/92/06/34/607920634.db2.gz OEBKODNYIKRISS-UHFFFAOYSA-N -1 3 371.426 0.821 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cc1ccsc1 ZINC000825892531 607920635 /nfs/dbraw/zinc/92/06/35/607920635.db2.gz OEBKODNYIKRISS-UHFFFAOYSA-N -1 3 371.426 0.821 20 50 FCGDHM C[C@@H](C#N)CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000824034545 607924723 /nfs/dbraw/zinc/92/47/23/607924723.db2.gz LOEPQYKAXKCHCU-NSHDSACASA-N -1 3 368.401 0.252 20 50 FCGDHM C[C@@H](C#N)CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000824034545 607924724 /nfs/dbraw/zinc/92/47/24/607924724.db2.gz LOEPQYKAXKCHCU-NSHDSACASA-N -1 3 368.401 0.252 20 50 FCGDHM CCC(=O)NNC(=O)[C@H](C)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825034361 608068956 /nfs/dbraw/zinc/06/89/56/608068956.db2.gz IHYLUWATDRSLGO-SMDDNHRTSA-N -1 3 373.417 0.186 20 50 FCGDHM CCC(=O)NNC(=O)[C@H](C)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825034361 608068957 /nfs/dbraw/zinc/06/89/57/608068957.db2.gz IHYLUWATDRSLGO-SMDDNHRTSA-N -1 3 373.417 0.186 20 50 FCGDHM CC[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C[C@H]1O ZINC000825205023 608078084 /nfs/dbraw/zinc/07/80/84/608078084.db2.gz UZDVEGGGPLKNMU-AXIVHTBFSA-N -1 3 355.402 0.650 20 50 FCGDHM CC[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C[C@H]1O ZINC000825205023 608078085 /nfs/dbraw/zinc/07/80/85/608078085.db2.gz UZDVEGGGPLKNMU-AXIVHTBFSA-N -1 3 355.402 0.650 20 50 FCGDHM CC(C)OCCCC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000824309888 608132848 /nfs/dbraw/zinc/13/28/48/608132848.db2.gz YQKOPIADSJOVFN-UHFFFAOYSA-N -1 3 362.390 0.598 20 50 FCGDHM O=C(NNc1ccccn1)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000826449280 608141500 /nfs/dbraw/zinc/14/15/00/608141500.db2.gz JZVPPMGSNYYFNY-UHFFFAOYSA-N -1 3 358.749 0.997 20 50 FCGDHM O=C(NNc1ccccn1)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000826449280 608141501 /nfs/dbraw/zinc/14/15/01/608141501.db2.gz JZVPPMGSNYYFNY-UHFFFAOYSA-N -1 3 358.749 0.997 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2ccn(C)n2)cc(-c2nnn[n-]2)n1C ZINC000826236020 608247452 /nfs/dbraw/zinc/24/74/52/608247452.db2.gz WWEWRSIEENBXLC-SDQBBNPISA-N -1 3 351.374 0.471 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCc2ccn(C)n2)cc(-c2nn[n-]n2)n1C ZINC000826236020 608247454 /nfs/dbraw/zinc/24/74/54/608247454.db2.gz WWEWRSIEENBXLC-SDQBBNPISA-N -1 3 351.374 0.471 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCCn2ccnc2)cc(-c2nn[n-]n2)n1C ZINC000826235117 608253032 /nfs/dbraw/zinc/25/30/32/608253032.db2.gz BWQYVPOTYOJXCC-QPEQYQDCSA-N -1 3 352.358 0.861 20 50 FCGDHM CCC1(O)CCC(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825176081 608254582 /nfs/dbraw/zinc/25/45/82/608254582.db2.gz FPZVSJSOTPLJFO-UHFFFAOYSA-N -1 3 373.417 0.894 20 50 FCGDHM CCC1(O)CCC(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825176081 608254583 /nfs/dbraw/zinc/25/45/83/608254583.db2.gz FPZVSJSOTPLJFO-UHFFFAOYSA-N -1 3 373.417 0.894 20 50 FCGDHM O=C(C[C@H](O)c1cccc(F)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826403915 608274584 /nfs/dbraw/zinc/27/45/84/608274584.db2.gz IEWCPPHTUYEROK-AWEZNQCLSA-N -1 3 370.344 0.891 20 50 FCGDHM O=C(C[C@H](O)c1cccc(F)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826403915 608274586 /nfs/dbraw/zinc/27/45/86/608274586.db2.gz IEWCPPHTUYEROK-AWEZNQCLSA-N -1 3 370.344 0.891 20 50 FCGDHM CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948144 609160189 /nfs/dbraw/zinc/16/01/89/609160189.db2.gz DVHAHGNPSINEGJ-UHFFFAOYSA-N -1 3 368.332 0.880 20 50 FCGDHM CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948144 609160191 /nfs/dbraw/zinc/16/01/91/609160191.db2.gz DVHAHGNPSINEGJ-UHFFFAOYSA-N -1 3 368.332 0.880 20 50 FCGDHM N#CCC1CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826380438 609404583 /nfs/dbraw/zinc/40/45/83/609404583.db2.gz AFRRNYUDYTXVPE-UHFFFAOYSA-N -1 3 354.374 0.847 20 50 FCGDHM N#CCC1CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826380438 609404584 /nfs/dbraw/zinc/40/45/84/609404584.db2.gz AFRRNYUDYTXVPE-UHFFFAOYSA-N -1 3 354.374 0.847 20 50 FCGDHM CC(C)[C@@H]1CN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824223334 609445153 /nfs/dbraw/zinc/44/51/53/609445153.db2.gz GUUROGJJLYOJQV-ZDUSSCGKSA-N -1 3 359.390 0.578 20 50 FCGDHM CC(C)[C@@H]1CN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824223334 609445154 /nfs/dbraw/zinc/44/51/54/609445154.db2.gz GUUROGJJLYOJQV-ZDUSSCGKSA-N -1 3 359.390 0.578 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H](CO)c1ccccc1 ZINC000826444995 609445256 /nfs/dbraw/zinc/44/52/56/609445256.db2.gz BYHCDRUIVOPPIS-AWEZNQCLSA-N -1 3 367.369 0.544 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H](CO)c1ccccc1 ZINC000826444995 609445258 /nfs/dbraw/zinc/44/52/58/609445258.db2.gz BYHCDRUIVOPPIS-AWEZNQCLSA-N -1 3 367.369 0.544 20 50 FCGDHM Cn1c(NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc2ccccc2c1=O ZINC000826355484 609459515 /nfs/dbraw/zinc/45/95/15/609459515.db2.gz BPVNTZXRVKAPCP-UHFFFAOYSA-N -1 3 351.330 0.199 20 50 FCGDHM Cn1c(NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc2ccccc2c1=O ZINC000826355484 609459517 /nfs/dbraw/zinc/45/95/17/609459517.db2.gz BPVNTZXRVKAPCP-UHFFFAOYSA-N -1 3 351.330 0.199 20 50 FCGDHM CC[C@@H]1C[C@@H](C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825183915 609533898 /nfs/dbraw/zinc/53/38/98/609533898.db2.gz PZFDXYFNKWRGDG-QWHCGFSZSA-N -1 3 374.401 0.598 20 50 FCGDHM CC1(C#N)CCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824778465 609597510 /nfs/dbraw/zinc/59/75/10/609597510.db2.gz POUWTSCNPZKDAV-UHFFFAOYSA-N -1 3 354.374 0.847 20 50 FCGDHM CC1(C#N)CCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000824778465 609597512 /nfs/dbraw/zinc/59/75/12/609597512.db2.gz POUWTSCNPZKDAV-UHFFFAOYSA-N -1 3 354.374 0.847 20 50 FCGDHM CC1(C#N)CCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824779040 609600876 /nfs/dbraw/zinc/60/08/76/609600876.db2.gz SGPXRGZOMCGIJN-UHFFFAOYSA-N -1 3 354.374 0.847 20 50 FCGDHM CC1(C#N)CCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824779040 609600877 /nfs/dbraw/zinc/60/08/77/609600877.db2.gz SGPXRGZOMCGIJN-UHFFFAOYSA-N -1 3 354.374 0.847 20 50 FCGDHM Cn1ncc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1C1CC1 ZINC000737621477 945104094 /nfs/dbraw/zinc/10/40/94/945104094.db2.gz HNBBVDWKSBEZKS-UHFFFAOYSA-N -1 3 352.358 0.552 20 50 FCGDHM N#CCCCCNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737687791 945112528 /nfs/dbraw/zinc/11/25/28/945112528.db2.gz MCZLBTZUTHQHQS-UHFFFAOYSA-N -1 3 358.362 0.270 20 50 FCGDHM N#CCCCCNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737687791 945112535 /nfs/dbraw/zinc/11/25/35/945112535.db2.gz MCZLBTZUTHQHQS-UHFFFAOYSA-N -1 3 358.362 0.270 20 50 FCGDHM NC(=O)[C@H](NNC(=O)c1ccc(Cl)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737739621 945119990 /nfs/dbraw/zinc/11/99/90/945119990.db2.gz ZVWGWABIIQVGPA-CYBMUJFWSA-N -1 3 371.788 0.981 20 50 FCGDHM NC(=O)[C@H](NNC(=O)c1ccc(Cl)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737739621 945120000 /nfs/dbraw/zinc/12/00/00/945120000.db2.gz ZVWGWABIIQVGPA-CYBMUJFWSA-N -1 3 371.788 0.981 20 50 FCGDHM Nc1c(-c2nnn[n-]2)cnn1-c1ccc(C(=O)NNc2cnccn2)cc1 ZINC000737778007 945124408 /nfs/dbraw/zinc/12/44/08/945124408.db2.gz VMTPZXHUBDPWNL-UHFFFAOYSA-N -1 3 363.345 0.182 20 50 FCGDHM Nc1c(-c2nn[n-]n2)cnn1-c1ccc(C(=O)NNc2cnccn2)cc1 ZINC000737778007 945124413 /nfs/dbraw/zinc/12/44/13/945124413.db2.gz VMTPZXHUBDPWNL-UHFFFAOYSA-N -1 3 363.345 0.182 20 50 FCGDHM O=C(C=Cc1cncc(F)c1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737805361 945129076 /nfs/dbraw/zinc/12/90/76/945129076.db2.gz HPLGXNVQLLUPCJ-LZCJLJQNSA-N -1 3 353.317 0.875 20 50 FCGDHM O=C(C=Cc1cncc(F)c1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737805361 945129080 /nfs/dbraw/zinc/12/90/80/945129080.db2.gz HPLGXNVQLLUPCJ-LZCJLJQNSA-N -1 3 353.317 0.875 20 50 FCGDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NNC(=O)Cc1cccnc1 ZINC000737852841 945139317 /nfs/dbraw/zinc/13/93/17/945139317.db2.gz HFPIMOSRXWUDDD-UHFFFAOYSA-N -1 3 351.370 0.584 20 50 FCGDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1cccnc1 ZINC000737852841 945139320 /nfs/dbraw/zinc/13/93/20/945139320.db2.gz HFPIMOSRXWUDDD-UHFFFAOYSA-N -1 3 351.370 0.584 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCCCC1CC1 ZINC000737919201 945153532 /nfs/dbraw/zinc/15/35/32/945153532.db2.gz PWVJVMVRQJQBSQ-UHFFFAOYSA-N -1 3 359.390 0.766 20 50 FCGDHM O=C(CSC[C@H]1CCCO1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737932147 945160263 /nfs/dbraw/zinc/16/02/63/945160263.db2.gz KAGYSOFMSIRXCF-GFCCVEGCSA-N -1 3 362.415 0.540 20 50 FCGDHM O=C(CSC[C@H]1CCCO1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737932147 945160268 /nfs/dbraw/zinc/16/02/68/945160268.db2.gz KAGYSOFMSIRXCF-GFCCVEGCSA-N -1 3 362.415 0.540 20 50 FCGDHM O=C(NCCNc1ccccn1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738078250 945183572 /nfs/dbraw/zinc/18/35/72/945183572.db2.gz OXVATFGYUGZWRU-UHFFFAOYSA-N -1 3 367.373 0.318 20 50 FCGDHM C#CCCCCNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000819693850 945272153 /nfs/dbraw/zinc/27/21/53/945272153.db2.gz XNHKDGABOCFTJF-UHFFFAOYSA-N -1 3 357.374 0.379 20 50 FCGDHM C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000819883810 945305197 /nfs/dbraw/zinc/30/51/97/945305197.db2.gz ODGYWTFEPRDSJT-SECBINFHSA-N -1 3 358.358 0.217 20 50 FCGDHM C[C@@H](C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000819883810 945305203 /nfs/dbraw/zinc/30/52/03/945305203.db2.gz ODGYWTFEPRDSJT-SECBINFHSA-N -1 3 358.358 0.217 20 50 FCGDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)NCC1CC1 ZINC000820001603 945327099 /nfs/dbraw/zinc/32/70/99/945327099.db2.gz USAFMUVJJJILQR-UHFFFAOYSA-N -1 3 359.390 0.765 20 50 FCGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(-n2cnnn2)cc1 ZINC000735448620 944656608 /nfs/dbraw/zinc/65/66/08/944656608.db2.gz SULAOTAZYJWHQH-UHFFFAOYSA-N -1 3 374.368 0.996 20 50 FCGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(-n2cnnn2)cc1 ZINC000735448620 944656617 /nfs/dbraw/zinc/65/66/17/944656617.db2.gz SULAOTAZYJWHQH-UHFFFAOYSA-N -1 3 374.368 0.996 20 50 FCGDHM C[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cn1cccn1 ZINC000736017623 944734659 /nfs/dbraw/zinc/73/46/59/944734659.db2.gz QVYIQCPATCUIJF-NSHDSACASA-N -1 3 369.389 0.344 20 50 FCGDHM C[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cn1cccn1 ZINC000736017623 944734668 /nfs/dbraw/zinc/73/46/68/944734668.db2.gz QVYIQCPATCUIJF-NSHDSACASA-N -1 3 369.389 0.344 20 50 FCGDHM C[C@@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1nnc2n1CCC2 ZINC000736119195 944742454 /nfs/dbraw/zinc/74/24/54/944742454.db2.gz RLXKAVSSTIPZHL-SECBINFHSA-N -1 3 354.378 0.792 20 50 FCGDHM C[C@@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1nnc2n1CCC2 ZINC000736119195 944742460 /nfs/dbraw/zinc/74/24/60/944742460.db2.gz RLXKAVSSTIPZHL-SECBINFHSA-N -1 3 354.378 0.792 20 50 FCGDHM C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736164353 944751423 /nfs/dbraw/zinc/75/14/23/944751423.db2.gz NCKQREANLPMTNB-RISCZKNCSA-N -1 3 374.401 0.602 20 50 FCGDHM C[C@@H](OC[C@@H]1CCCCO1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736164353 944751427 /nfs/dbraw/zinc/75/14/27/944751427.db2.gz NCKQREANLPMTNB-RISCZKNCSA-N -1 3 374.401 0.602 20 50 FCGDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NN=c1ccnc(N(C)C)[nH]1 ZINC000736185030 944756405 /nfs/dbraw/zinc/75/64/05/944756405.db2.gz RHFFNCMJJYKAAZ-JTQLQIEISA-N -1 3 369.389 0.633 20 50 FCGDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NN=c1ccnc(N(C)C)[nH]1 ZINC000736185030 944756407 /nfs/dbraw/zinc/75/64/07/944756407.db2.gz RHFFNCMJJYKAAZ-JTQLQIEISA-N -1 3 369.389 0.633 20 50 FCGDHM CC1(C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H]2CCO[C@@H]21 ZINC000736206444 944762590 /nfs/dbraw/zinc/76/25/90/944762590.db2.gz OJOBZGIAZKXGPG-XQQFMLRXSA-N -1 3 371.401 0.624 20 50 FCGDHM CC1(C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H]2CCO[C@@H]21 ZINC000736206444 944762599 /nfs/dbraw/zinc/76/25/99/944762599.db2.gz OJOBZGIAZKXGPG-XQQFMLRXSA-N -1 3 371.401 0.624 20 50 FCGDHM CC[C@@H](COC)NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736351770 944807290 /nfs/dbraw/zinc/80/72/90/944807290.db2.gz GXSNQJJHPNYFBL-NSHDSACASA-N -1 3 363.378 0.001 20 50 FCGDHM CCN(CC(=O)N(C)C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736512556 944837158 /nfs/dbraw/zinc/83/71/58/944837158.db2.gz QDMPCFZHELXNHK-QPEQYQDCSA-N -1 3 370.417 0.357 20 50 FCGDHM CCN(CC(=O)N(C)C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736512556 944837167 /nfs/dbraw/zinc/83/71/67/944837167.db2.gz QDMPCFZHELXNHK-QPEQYQDCSA-N -1 3 370.417 0.357 20 50 FCGDHM CCOC(=O)CCCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736591339 944850814 /nfs/dbraw/zinc/85/08/14/944850814.db2.gz AORZLNFAWVWABR-UHFFFAOYSA-N -1 3 361.362 0.154 20 50 FCGDHM CCOC(=O)CCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736591339 944850815 /nfs/dbraw/zinc/85/08/15/944850815.db2.gz AORZLNFAWVWABR-UHFFFAOYSA-N -1 3 361.362 0.154 20 50 FCGDHM CCS(=O)(=O)C[C@@H](C)NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000736657518 944864766 /nfs/dbraw/zinc/86/47/66/944864766.db2.gz SHLCRTMTIGIKKO-SECBINFHSA-N -1 3 353.408 0.316 20 50 FCGDHM CCS(=O)(=O)C[C@@H](C)NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000736657518 944864769 /nfs/dbraw/zinc/86/47/69/944864769.db2.gz SHLCRTMTIGIKKO-SECBINFHSA-N -1 3 353.408 0.316 20 50 FCGDHM CC[S@](=O)CCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736665911 944866169 /nfs/dbraw/zinc/86/61/69/944866169.db2.gz WETUHHJMEFZMEP-FRHHVXPKSA-N -1 3 361.431 0.305 20 50 FCGDHM CC[S@](=O)CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736665911 944866175 /nfs/dbraw/zinc/86/61/75/944866175.db2.gz WETUHHJMEFZMEP-FRHHVXPKSA-N -1 3 361.431 0.305 20 50 FCGDHM CCn1cc(NC(=S)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000736722466 944878358 /nfs/dbraw/zinc/87/83/58/944878358.db2.gz MQJPGLCQYOYCNB-UHFFFAOYSA-N -1 3 357.403 0.715 20 50 FCGDHM CCn1cc(NC(=S)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000736722466 944878365 /nfs/dbraw/zinc/87/83/65/944878365.db2.gz MQJPGLCQYOYCNB-UHFFFAOYSA-N -1 3 357.403 0.715 20 50 FCGDHM CCn1ccnc1SCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736721877 944879665 /nfs/dbraw/zinc/87/96/65/944879665.db2.gz JSEWVHPRSMPSLD-UHFFFAOYSA-N -1 3 372.414 0.636 20 50 FCGDHM CCn1ccnc1SCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736721877 944879671 /nfs/dbraw/zinc/87/96/71/944879671.db2.gz JSEWVHPRSMPSLD-UHFFFAOYSA-N -1 3 372.414 0.636 20 50 FCGDHM CN(C)c1ncccc1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736779957 944889153 /nfs/dbraw/zinc/88/91/53/944889153.db2.gz RBWSSWHHFWZPFQ-UHFFFAOYSA-N -1 3 352.358 0.403 20 50 FCGDHM CNC(=O)c1cccc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000736883063 944905184 /nfs/dbraw/zinc/90/51/84/944905184.db2.gz RCONWFDDALEJNB-UHFFFAOYSA-N -1 3 365.353 0.301 20 50 FCGDHM CNC(=O)c1cccc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000736883063 944905189 /nfs/dbraw/zinc/90/51/89/944905189.db2.gz RCONWFDDALEJNB-UHFFFAOYSA-N -1 3 365.353 0.301 20 50 FCGDHM COC(=O)[C@@H](C)CN(C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736889180 944906427 /nfs/dbraw/zinc/90/64/27/944906427.db2.gz QUEKQXPWBNDVFQ-FYTLYHSASA-N -1 3 371.401 0.688 20 50 FCGDHM COC(=O)[C@@H](C)CN(C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736889180 944906432 /nfs/dbraw/zinc/90/64/32/944906432.db2.gz QUEKQXPWBNDVFQ-FYTLYHSASA-N -1 3 371.401 0.688 20 50 FCGDHM COC(=O)N[C@@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000736936411 944913807 /nfs/dbraw/zinc/91/38/07/944913807.db2.gz QQWVJAJNZNXMPS-LLVKDONJSA-N -1 3 361.362 0.008 20 50 FCGDHM COC(=O)N[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000736936411 944913813 /nfs/dbraw/zinc/91/38/13/944913813.db2.gz QQWVJAJNZNXMPS-LLVKDONJSA-N -1 3 361.362 0.008 20 50 FCGDHM CSC[C@H](C)C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737178719 944976744 /nfs/dbraw/zinc/97/67/44/944976744.db2.gz CMOFEVQNNQVMNJ-VIFPVBQESA-N -1 3 350.404 0.392 20 50 FCGDHM CSCCCNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737182271 944978546 /nfs/dbraw/zinc/97/85/46/944978546.db2.gz NKLBQZMELRAZNA-UHFFFAOYSA-N -1 3 365.419 0.329 20 50 FCGDHM CSCCCNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737182271 944978551 /nfs/dbraw/zinc/97/85/51/944978551.db2.gz NKLBQZMELRAZNA-UHFFFAOYSA-N -1 3 365.419 0.329 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)[C@H]2CCN(C)C2=O)cc(-c2nnn[n-]2)n1C ZINC000737212051 944990448 /nfs/dbraw/zinc/99/04/48/944990448.db2.gz HIECZGDQEYOLPW-OTAKNEKHSA-N -1 3 368.401 0.110 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)[C@H]2CCN(C)C2=O)cc(-c2nn[n-]n2)n1C ZINC000737212051 944990454 /nfs/dbraw/zinc/99/04/54/944990454.db2.gz HIECZGDQEYOLPW-OTAKNEKHSA-N -1 3 368.401 0.110 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCNC(=O)C[C@H]2C)cc(-c2nnn[n-]2)n1C ZINC000737212662 944994791 /nfs/dbraw/zinc/99/47/91/944994791.db2.gz LWVGWGIEPSGHJF-SRMXYGTFSA-N -1 3 368.401 0.158 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCNC(=O)C[C@H]2C)cc(-c2nn[n-]n2)n1C ZINC000737212662 944994796 /nfs/dbraw/zinc/99/47/96/944994796.db2.gz LWVGWGIEPSGHJF-SRMXYGTFSA-N -1 3 368.401 0.158 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](C)C[C@H](C)O)cc(-c2nnn[n-]2)n1C ZINC000737213879 945007996 /nfs/dbraw/zinc/00/79/96/945007996.db2.gz YDKJMZBIXORBRH-VYNVAFALSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](C)C[C@H](C)O)cc(-c2nn[n-]n2)n1C ZINC000737213879 945008005 /nfs/dbraw/zinc/00/80/05/945008005.db2.gz YDKJMZBIXORBRH-VYNVAFALSA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1cc(C)n(CCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000737254804 945022686 /nfs/dbraw/zinc/02/26/86/945022686.db2.gz DTBVHUIYKNJFJN-UHFFFAOYSA-N -1 3 354.374 0.531 20 50 FCGDHM Cc1cc(C)n(CCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000737254804 945022696 /nfs/dbraw/zinc/02/26/96/945022696.db2.gz DTBVHUIYKNJFJN-UHFFFAOYSA-N -1 3 354.374 0.531 20 50 FCGDHM C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820549106 945481836 /nfs/dbraw/zinc/48/18/36/945481836.db2.gz KFIRQQOMJINCCW-QMMMGPOBSA-N -1 3 359.321 0.562 20 50 FCGDHM C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820549106 945481842 /nfs/dbraw/zinc/48/18/42/945481842.db2.gz KFIRQQOMJINCCW-QMMMGPOBSA-N -1 3 359.321 0.562 20 50 FCGDHM CC1(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCCC1 ZINC000820577015 945488779 /nfs/dbraw/zinc/48/87/79/945488779.db2.gz GVHLCJVDHCHRDG-UHFFFAOYSA-N -1 3 372.385 0.751 20 50 FCGDHM CC1(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCCC1 ZINC000820577015 945488784 /nfs/dbraw/zinc/48/87/84/945488784.db2.gz GVHLCJVDHCHRDG-UHFFFAOYSA-N -1 3 372.385 0.751 20 50 FCGDHM CC1(C)CN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCCO1 ZINC000820601422 945496285 /nfs/dbraw/zinc/49/62/85/945496285.db2.gz KRJZSWDIRYPEFZ-UHFFFAOYSA-N -1 3 373.417 0.129 20 50 FCGDHM CC1(C)CN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCCO1 ZINC000820601422 945496290 /nfs/dbraw/zinc/49/62/90/945496290.db2.gz KRJZSWDIRYPEFZ-UHFFFAOYSA-N -1 3 373.417 0.129 20 50 FCGDHM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1=O ZINC000820678514 945522414 /nfs/dbraw/zinc/52/24/14/945522414.db2.gz VRTFSOBDMNJELM-JIMOISOXSA-N -1 3 356.390 0.502 20 50 FCGDHM C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1=O ZINC000820678514 945522420 /nfs/dbraw/zinc/52/24/20/945522420.db2.gz VRTFSOBDMNJELM-JIMOISOXSA-N -1 3 356.390 0.502 20 50 FCGDHM CC=CC=CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820832699 945565211 /nfs/dbraw/zinc/56/52/11/945565211.db2.gz MYDZBBIKOGJZKQ-CRBCFSCISA-N -1 3 356.342 0.303 20 50 FCGDHM CC=CC=CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820832699 945565221 /nfs/dbraw/zinc/56/52/21/945565221.db2.gz MYDZBBIKOGJZKQ-CRBCFSCISA-N -1 3 356.342 0.303 20 50 FCGDHM CC[C@@H](C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCCC1=O ZINC000820843317 945569796 /nfs/dbraw/zinc/56/97/96/945569796.db2.gz WIOMSDLUJICWSO-LBPRGKRZSA-N -1 3 357.374 0.029 20 50 FCGDHM CC[C@@H](C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCCC1=O ZINC000820843317 945569800 /nfs/dbraw/zinc/56/98/00/945569800.db2.gz WIOMSDLUJICWSO-LBPRGKRZSA-N -1 3 357.374 0.029 20 50 FCGDHM CC[C@H](C)[C@H](O)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000820862932 945575980 /nfs/dbraw/zinc/57/59/80/945575980.db2.gz RXWJJTCPQLZPGU-QDUDOWBVSA-N -1 3 357.418 0.944 20 50 FCGDHM CC[C@H](C)[C@H](O)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000820862932 945575985 /nfs/dbraw/zinc/57/59/85/945575985.db2.gz RXWJJTCPQLZPGU-QDUDOWBVSA-N -1 3 357.418 0.944 20 50 FCGDHM CCC[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821016084 945614351 /nfs/dbraw/zinc/61/43/51/945614351.db2.gz VHMPQZHNNBJAKO-JTQLQIEISA-N -1 3 360.374 0.607 20 50 FCGDHM CCC[C@H](C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821016084 945614358 /nfs/dbraw/zinc/61/43/58/945614358.db2.gz VHMPQZHNNBJAKO-JTQLQIEISA-N -1 3 360.374 0.607 20 50 FCGDHM CCC/C=C\C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821040059 945621256 /nfs/dbraw/zinc/62/12/56/945621256.db2.gz IACJJQDREXBGGV-YWEYNIOJSA-N -1 3 358.358 0.527 20 50 FCGDHM CCC/C=C\C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821040059 945621270 /nfs/dbraw/zinc/62/12/70/945621270.db2.gz IACJJQDREXBGGV-YWEYNIOJSA-N -1 3 358.358 0.527 20 50 FCGDHM CCNC(=O)N1CC[C@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821284560 945664744 /nfs/dbraw/zinc/66/47/44/945664744.db2.gz FJQAYWNAENDQGC-LBPRGKRZSA-N -1 3 359.394 0.297 20 50 FCGDHM CCNC(=O)N1CC[C@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821284560 945664749 /nfs/dbraw/zinc/66/47/49/945664749.db2.gz FJQAYWNAENDQGC-LBPRGKRZSA-N -1 3 359.394 0.297 20 50 FCGDHM CCNC(=O)N1CC[C@@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000821284559 945664916 /nfs/dbraw/zinc/66/49/16/945664916.db2.gz FJQAYWNAENDQGC-GFCCVEGCSA-N -1 3 359.394 0.297 20 50 FCGDHM CCNC(=O)N1CC[C@@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000821284559 945664920 /nfs/dbraw/zinc/66/49/20/945664920.db2.gz FJQAYWNAENDQGC-GFCCVEGCSA-N -1 3 359.394 0.297 20 50 FCGDHM CCOC(=O)C[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821325850 945669964 /nfs/dbraw/zinc/66/99/64/945669964.db2.gz PEGTUOJSVVRGLD-JLATVTFTSA-N -1 3 371.401 0.879 20 50 FCGDHM CCOC(=O)C[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821325850 945669974 /nfs/dbraw/zinc/66/99/74/945669974.db2.gz PEGTUOJSVVRGLD-JLATVTFTSA-N -1 3 371.401 0.879 20 50 FCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)Cc1nccs1 ZINC000821593997 945733016 /nfs/dbraw/zinc/73/30/16/945733016.db2.gz SZSWJWNBICAKFH-UHFFFAOYSA-N -1 3 372.414 0.216 20 50 FCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)Cc1nccs1 ZINC000821593997 945733021 /nfs/dbraw/zinc/73/30/21/945733021.db2.gz SZSWJWNBICAKFH-UHFFFAOYSA-N -1 3 372.414 0.216 20 50 FCGDHM CN(Cc1cccn1C)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821615920 945745894 /nfs/dbraw/zinc/74/58/94/945745894.db2.gz UQZOJOQGCVGOBG-UHFFFAOYSA-N -1 3 354.374 0.692 20 50 FCGDHM CN(Cc1cccn1C)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821615920 945745898 /nfs/dbraw/zinc/74/58/98/945745898.db2.gz UQZOJOQGCVGOBG-UHFFFAOYSA-N -1 3 354.374 0.692 20 50 FCGDHM CN(Cc1nccs1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821618135 945746184 /nfs/dbraw/zinc/74/61/84/945746184.db2.gz RUGXWQWLWMGQOX-UHFFFAOYSA-N -1 3 358.387 0.810 20 50 FCGDHM CN(Cc1nccs1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821618135 945746187 /nfs/dbraw/zinc/74/61/87/945746187.db2.gz RUGXWQWLWMGQOX-UHFFFAOYSA-N -1 3 358.387 0.810 20 50 FCGDHM COC(=O)[C@@H](NNC(=O)CCc1ccco1)c1cccc(-c2nnn[n-]2)c1 ZINC000821644765 945769248 /nfs/dbraw/zinc/76/92/48/945769248.db2.gz IPIZQAANHCXHKC-HNNXBMFYSA-N -1 3 370.369 0.927 20 50 FCGDHM COC(=O)[C@@H](NNC(=O)CCc1ccco1)c1cccc(-c2nn[n-]n2)c1 ZINC000821644765 945769255 /nfs/dbraw/zinc/76/92/55/945769255.db2.gz IPIZQAANHCXHKC-HNNXBMFYSA-N -1 3 370.369 0.927 20 50 FCGDHM COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821655220 945779233 /nfs/dbraw/zinc/77/92/33/945779233.db2.gz HNVRFFHNZXXOBW-QWHCGFSZSA-N -1 3 372.385 0.607 20 50 FCGDHM COC(=O)[C@@H]1CCC[C@H](C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821655220 945779240 /nfs/dbraw/zinc/77/92/40/945779240.db2.gz HNVRFFHNZXXOBW-QWHCGFSZSA-N -1 3 372.385 0.607 20 50 FCGDHM CO[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1(C)C ZINC000821677927 945795027 /nfs/dbraw/zinc/79/50/27/945795027.db2.gz GVPQRSIHCRGVMF-RYUDHWBXSA-N -1 3 359.390 0.624 20 50 FCGDHM CO[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1(C)C ZINC000821677927 945795034 /nfs/dbraw/zinc/79/50/34/945795034.db2.gz GVPQRSIHCRGVMF-RYUDHWBXSA-N -1 3 359.390 0.624 20 50 FCGDHM CO[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1(C)C ZINC000821677979 945795503 /nfs/dbraw/zinc/79/55/03/945795503.db2.gz HUJNQBGRZIJRQB-RYUDHWBXSA-N -1 3 359.390 0.624 20 50 FCGDHM CO[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1(C)C ZINC000821677979 945795508 /nfs/dbraw/zinc/79/55/08/945795508.db2.gz HUJNQBGRZIJRQB-RYUDHWBXSA-N -1 3 359.390 0.624 20 50 FCGDHM COC[C@@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccco1 ZINC000821682783 945807427 /nfs/dbraw/zinc/80/74/27/945807427.db2.gz NNVUCNKTEDZSEN-GFCCVEGCSA-N -1 3 371.357 0.791 20 50 FCGDHM COC[C@@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccco1 ZINC000821682783 945807435 /nfs/dbraw/zinc/80/74/35/945807435.db2.gz NNVUCNKTEDZSEN-GFCCVEGCSA-N -1 3 371.357 0.791 20 50 FCGDHM COc1ccc(C(=O)NNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cc1OC ZINC000821772622 945858500 /nfs/dbraw/zinc/85/85/00/945858500.db2.gz IRJBPLVAIUSFTO-UHFFFAOYSA-N -1 3 357.330 0.287 20 50 FCGDHM COc1ccc(C(=O)NNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cc1OC ZINC000821772622 945858515 /nfs/dbraw/zinc/85/85/15/945858515.db2.gz IRJBPLVAIUSFTO-UHFFFAOYSA-N -1 3 357.330 0.287 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)O[C@H]2CCCNC2=O)cc(-c2nnn[n-]2)n1C ZINC000822026845 945925385 /nfs/dbraw/zinc/92/53/85/945925385.db2.gz AMVJEWJWVAFTHU-VKUYVZBCSA-N -1 3 355.358 0.242 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)O[C@H]2CCCNC2=O)cc(-c2nn[n-]n2)n1C ZINC000822026845 945925395 /nfs/dbraw/zinc/92/53/95/945925395.db2.gz AMVJEWJWVAFTHU-VKUYVZBCSA-N -1 3 355.358 0.242 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)c2cnn(C)c2)cc(-c2nn[n-]n2)n1C ZINC000822028131 945938527 /nfs/dbraw/zinc/93/85/27/945938527.db2.gz LIYSRYCWAUUURB-XGICHPGQSA-N -1 3 351.374 0.817 20 50 FCGDHM Cc1c2c(nc(SCC(=O)NNC(=O)C3CC3)c1-c1nnn[n-]1)CCC2 ZINC000822129731 945964300 /nfs/dbraw/zinc/96/43/00/945964300.db2.gz NXGDBZPDRZIQOK-UHFFFAOYSA-N -1 3 373.442 0.708 20 50 FCGDHM Cc1c2c(nc(SCC(=O)NNC(=O)C3CC3)c1-c1nn[n-]n1)CCC2 ZINC000822129731 945964303 /nfs/dbraw/zinc/96/43/03/945964303.db2.gz NXGDBZPDRZIQOK-UHFFFAOYSA-N -1 3 373.442 0.708 20 50 FCGDHM Cc1cc(CN(C)CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)no1 ZINC000822199599 945984705 /nfs/dbraw/zinc/98/47/05/945984705.db2.gz AFRVSLRHCHXBLD-UHFFFAOYSA-N -1 3 370.373 0.056 20 50 FCGDHM Cc1cc(CN(C)CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)no1 ZINC000822199599 945984714 /nfs/dbraw/zinc/98/47/14/945984714.db2.gz AFRVSLRHCHXBLD-UHFFFAOYSA-N -1 3 370.373 0.056 20 50 FCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822227516 946008016 /nfs/dbraw/zinc/00/80/16/946008016.db2.gz LRAKLRJNRTWKNT-UHFFFAOYSA-N -1 3 370.325 0.386 20 50 FCGDHM Cc1ccc(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822227516 946008021 /nfs/dbraw/zinc/00/80/21/946008021.db2.gz LRAKLRJNRTWKNT-UHFFFAOYSA-N -1 3 370.325 0.386 20 50 FCGDHM Cc1ccc(CN(C)CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000822237365 946023595 /nfs/dbraw/zinc/02/35/95/946023595.db2.gz QJTRNLQBPVPTDS-UHFFFAOYSA-N -1 3 369.385 0.661 20 50 FCGDHM Cc1ccc(CN(C)CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000822237365 946023607 /nfs/dbraw/zinc/02/36/07/946023607.db2.gz QJTRNLQBPVPTDS-UHFFFAOYSA-N -1 3 369.385 0.661 20 50 FCGDHM Cc1ccc(NNC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000822259056 946033476 /nfs/dbraw/zinc/03/34/76/946033476.db2.gz LDPSUNJYVCYJKD-UHFFFAOYSA-N -1 3 355.362 0.670 20 50 FCGDHM Cc1ccnc(NNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000822374473 946073479 /nfs/dbraw/zinc/07/34/79/946073479.db2.gz YGRVEHJJTYFRMU-UHFFFAOYSA-N -1 3 352.358 0.443 20 50 FCGDHM Cc1ccnc(NNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822374473 946073482 /nfs/dbraw/zinc/07/34/82/946073482.db2.gz YGRVEHJJTYFRMU-UHFFFAOYSA-N -1 3 352.358 0.443 20 50 FCGDHM Cc1cnc(SCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)nc1 ZINC000822400008 946078531 /nfs/dbraw/zinc/07/85/31/946078531.db2.gz SQVBAXULHVZKLQ-UHFFFAOYSA-N -1 3 370.398 0.518 20 50 FCGDHM Cc1cnc(SCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)nc1 ZINC000822400008 946078538 /nfs/dbraw/zinc/07/85/38/946078538.db2.gz SQVBAXULHVZKLQ-UHFFFAOYSA-N -1 3 370.398 0.518 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 ZINC000822645488 946142874 /nfs/dbraw/zinc/14/28/74/946142874.db2.gz AOUMLZVXZILNKP-UHFFFAOYSA-N -1 3 369.341 0.051 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)c1ccc2c(c1)OCCO2 ZINC000822645488 946142881 /nfs/dbraw/zinc/14/28/81/946142881.db2.gz AOUMLZVXZILNKP-UHFFFAOYSA-N -1 3 369.341 0.051 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)COc1ccccc1F ZINC000822645683 946144594 /nfs/dbraw/zinc/14/45/94/946144594.db2.gz KMQFTNQNGZJDLQ-UHFFFAOYSA-N -1 3 359.321 0.184 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)COc1ccccc1F ZINC000822645683 946144597 /nfs/dbraw/zinc/14/45/97/946144597.db2.gz KMQFTNQNGZJDLQ-UHFFFAOYSA-N -1 3 359.321 0.184 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12 ZINC000822645832 946144960 /nfs/dbraw/zinc/14/49/60/946144960.db2.gz RIDTTZJDADBNEV-UHFFFAOYSA-N -1 3 364.369 0.690 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)Cc1c[nH]c2ccccc12 ZINC000822645832 946144967 /nfs/dbraw/zinc/14/49/67/946144967.db2.gz RIDTTZJDADBNEV-UHFFFAOYSA-N -1 3 364.369 0.690 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)C(C)(C)c1ccccc1 ZINC000822645815 946145371 /nfs/dbraw/zinc/14/53/71/946145371.db2.gz QPSPVUMOKCPDLN-UHFFFAOYSA-N -1 3 353.386 0.944 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)C(C)(C)c1ccccc1 ZINC000822645815 946145378 /nfs/dbraw/zinc/14/53/78/946145378.db2.gz QPSPVUMOKCPDLN-UHFFFAOYSA-N -1 3 353.386 0.944 20 50 FCGDHM O=C(C=C1CCCC1)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018883 946275762 /nfs/dbraw/zinc/27/57/62/946275762.db2.gz ZSYZDFULUOMUFQ-UHFFFAOYSA-N -1 3 370.369 0.671 20 50 FCGDHM O=C(C=C1CCCC1)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018883 946275769 /nfs/dbraw/zinc/27/57/69/946275769.db2.gz ZSYZDFULUOMUFQ-UHFFFAOYSA-N -1 3 370.369 0.671 20 50 FCGDHM O=C(NNC(=O)c1cccc(OC(F)F)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823277050 946395076 /nfs/dbraw/zinc/39/50/76/946395076.db2.gz DBXJGTQCOWBRAI-UHFFFAOYSA-N -1 3 363.284 0.871 20 50 FCGDHM O=C(NNC(=O)c1cccc(OC(F)F)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823277050 946395087 /nfs/dbraw/zinc/39/50/87/946395087.db2.gz DBXJGTQCOWBRAI-UHFFFAOYSA-N -1 3 363.284 0.871 20 50 FCGDHM CC(=O)NNC(=O)COc1cccc(Br)c1-c1nnn[n-]1 ZINC001573537899 946759535 /nfs/dbraw/zinc/75/95/35/946759535.db2.gz RMGRDFGTVHDNCF-UHFFFAOYSA-N -1 3 355.152 0.175 20 50 FCGDHM CC(=O)NNC(=O)COc1cccc(Br)c1-c1nn[n-]n1 ZINC001573537899 946759538 /nfs/dbraw/zinc/75/95/38/946759538.db2.gz RMGRDFGTVHDNCF-UHFFFAOYSA-N -1 3 355.152 0.175 20 50 FCGDHM C[C@@]1(C#N)CCCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824777500 946930631 /nfs/dbraw/zinc/93/06/31/946930631.db2.gz JIBQGIZRRCORFB-INIZCTEOSA-N -1 3 354.374 0.847 20 50 FCGDHM C[C@@]1(C#N)CCCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824777500 946930636 /nfs/dbraw/zinc/93/06/36/946930636.db2.gz JIBQGIZRRCORFB-INIZCTEOSA-N -1 3 354.374 0.847 20 50 FCGDHM C[C@@H]1C[C@H](C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824864549 946956869 /nfs/dbraw/zinc/95/68/69/946956869.db2.gz BZKNZSGBTPHQJT-ZYHUDNBSSA-N -1 3 360.374 0.208 20 50 FCGDHM C[C@H]1CC[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824907601 946988518 /nfs/dbraw/zinc/98/85/18/946988518.db2.gz JKXKCDRWURTEDE-GWCFXTLKSA-N -1 3 372.385 0.607 20 50 FCGDHM C[C@H]1CC[C@H](C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824907601 946988524 /nfs/dbraw/zinc/98/85/24/946988524.db2.gz JKXKCDRWURTEDE-GWCFXTLKSA-N -1 3 372.385 0.607 20 50 FCGDHM CC[C@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@@H]1CCCO1 ZINC000825134646 947095266 /nfs/dbraw/zinc/09/52/66/947095266.db2.gz VZBVLKQFDVJRGH-STQMWFEESA-N -1 3 359.390 0.768 20 50 FCGDHM CC[C@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCCO1 ZINC000825134646 947095274 /nfs/dbraw/zinc/09/52/74/947095274.db2.gz VZBVLKQFDVJRGH-STQMWFEESA-N -1 3 359.390 0.768 20 50 FCGDHM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1(C)C ZINC000826144043 947451941 /nfs/dbraw/zinc/45/19/41/947451941.db2.gz AHATZYIZMZKZMV-ZWKOPEQDSA-N -1 3 373.417 0.870 20 50 FCGDHM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1(C)C ZINC000826144043 947451947 /nfs/dbraw/zinc/45/19/47/947451947.db2.gz AHATZYIZMZKZMV-ZWKOPEQDSA-N -1 3 373.417 0.870 20 50 FCGDHM COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826160237 947502744 /nfs/dbraw/zinc/50/27/44/947502744.db2.gz KHMAOQOBNOUTPH-QMMMGPOBSA-N -1 3 367.341 0.210 20 50 FCGDHM COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826160237 947502752 /nfs/dbraw/zinc/50/27/52/947502752.db2.gz KHMAOQOBNOUTPH-QMMMGPOBSA-N -1 3 367.341 0.210 20 50 FCGDHM COc1ccc(CNS(=O)(=O)CBr)cc1-c1nnn[n-]1 ZINC000826203512 947602833 /nfs/dbraw/zinc/60/28/33/947602833.db2.gz RUEDXVSOZUHUGI-UHFFFAOYSA-N -1 3 362.209 0.647 20 50 FCGDHM COc1ccc(CNS(=O)(=O)CBr)cc1-c1nn[n-]n1 ZINC000826203512 947602836 /nfs/dbraw/zinc/60/28/36/947602836.db2.gz RUEDXVSOZUHUGI-UHFFFAOYSA-N -1 3 362.209 0.647 20 50 FCGDHM COc1ccccc1NCC(=O)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826220202 947651911 /nfs/dbraw/zinc/65/19/11/947651911.db2.gz FYGIIBWAFRMYGG-UHFFFAOYSA-N -1 3 356.346 0.077 20 50 FCGDHM COc1ccccc1NCC(=O)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826220202 947651919 /nfs/dbraw/zinc/65/19/19/947651919.db2.gz FYGIIBWAFRMYGG-UHFFFAOYSA-N -1 3 356.346 0.077 20 50 FCGDHM Cc1onc(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1C#N ZINC000826348493 948076692 /nfs/dbraw/zinc/07/66/92/948076692.db2.gz OWQLBXIIKLGPMQ-UHFFFAOYSA-N -1 3 352.314 0.039 20 50 FCGDHM Cc1onc(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1C#N ZINC000826348493 948076698 /nfs/dbraw/zinc/07/66/98/948076698.db2.gz OWQLBXIIKLGPMQ-UHFFFAOYSA-N -1 3 352.314 0.039 20 50 FCGDHM Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)NN=c2[nH]cccc2C(=O)[O-])cn1 ZINC001574022648 961979338 /nfs/dbraw/zinc/97/93/38/961979338.db2.gz OSTHLZFRLFXQEP-GXTWGEPZSA-N -1 3 358.402 0.692 20 50 FCGDHM Cn1c2ccccc2n(CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1=O ZINC000826354875 607340855 /nfs/dbraw/zinc/34/08/55/607340855.db2.gz ZFLGTCZKYQFDCT-UHFFFAOYSA-N -1 3 364.369 0.663 20 50 FCGDHM CC(C)CS(=O)(=O)CCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824270756 607342581 /nfs/dbraw/zinc/34/25/81/607342581.db2.gz GFMNLHLWXKJSNL-UHFFFAOYSA-N -1 3 352.420 0.771 20 50 FCGDHM CS(=O)(=O)N1CCCC[C@H]1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826223729 607344190 /nfs/dbraw/zinc/34/41/90/607344190.db2.gz XWNZHMCTOYWSDO-LBPRGKRZSA-N -1 3 365.419 0.124 20 50 FCGDHM O=C(NCc1ccc(F)cc1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826442516 607348247 /nfs/dbraw/zinc/34/82/47/607348247.db2.gz YGCQFLBUOHRQIH-UHFFFAOYSA-N -1 3 355.333 0.765 20 50 FCGDHM O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409488 607351679 /nfs/dbraw/zinc/35/16/79/607351679.db2.gz BHSJJMTYNCTHGM-CHWSQXEVSA-N -1 3 369.385 0.485 20 50 FCGDHM COC[C@@H](NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)C1CC1 ZINC000826150012 607562954 /nfs/dbraw/zinc/56/29/54/607562954.db2.gz ULAWTHQEXILGRH-CNTYAEFGSA-N -1 3 355.402 0.962 20 50 FCGDHM COC[C@@H](NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C1CC1 ZINC000826150012 607562956 /nfs/dbraw/zinc/56/29/56/607562956.db2.gz ULAWTHQEXILGRH-CNTYAEFGSA-N -1 3 355.402 0.962 20 50 FCGDHM COC[C@@H](NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)C1CC1 ZINC000826150014 607563104 /nfs/dbraw/zinc/56/31/04/607563104.db2.gz ULAWTHQEXILGRH-YGLIYXGISA-N -1 3 355.402 0.962 20 50 FCGDHM COC[C@@H](NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C1CC1 ZINC000826150014 607563106 /nfs/dbraw/zinc/56/31/06/607563106.db2.gz ULAWTHQEXILGRH-YGLIYXGISA-N -1 3 355.402 0.962 20 50 FCGDHM COc1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)cc1-c1nnn[n-]1 ZINC000826200344 607628424 /nfs/dbraw/zinc/62/84/24/607628424.db2.gz LCHMDCQBMGOBAB-UHFFFAOYSA-N -1 3 356.346 0.348 20 50 FCGDHM COc1ccc(CNC(=O)NNC(=O)c2ccc[nH]2)cc1-c1nn[n-]n1 ZINC000826200344 607628426 /nfs/dbraw/zinc/62/84/26/607628426.db2.gz LCHMDCQBMGOBAB-UHFFFAOYSA-N -1 3 356.346 0.348 20 50 FCGDHM COc1cc(Cl)ccc1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826179973 607688685 /nfs/dbraw/zinc/68/86/85/607688685.db2.gz NHYQFRHIRJUGBJ-UHFFFAOYSA-N -1 3 361.749 0.932 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cnc2n(c1=O)CCS2 ZINC000826449378 607714649 /nfs/dbraw/zinc/71/46/49/607714649.db2.gz PESUDRCKEFKQLA-UHFFFAOYSA-N -1 3 356.371 0.286 20 50 FCGDHM CN(CC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ncnc2nc[nH]c21 ZINC000825892067 607716939 /nfs/dbraw/zinc/71/69/39/607716939.db2.gz DMVLVUVTNGHUJB-UHFFFAOYSA-N -1 3 365.361 0.113 20 50 FCGDHM O=C(Cc1ccccc1)NCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826423658 607722928 /nfs/dbraw/zinc/72/29/28/607722928.db2.gz ZWBAZZSMUFOHJN-UHFFFAOYSA-N -1 3 351.370 0.669 20 50 FCGDHM O=C(Cc1ccccc1)NCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826423658 607722930 /nfs/dbraw/zinc/72/29/30/607722930.db2.gz ZWBAZZSMUFOHJN-UHFFFAOYSA-N -1 3 351.370 0.669 20 50 FCGDHM C[C@@H](C(=O)N(C)CC(=O)NNc1cccc(-c2nnn[n-]2)c1)n1cccn1 ZINC000824040959 607725280 /nfs/dbraw/zinc/72/52/80/607725280.db2.gz VUCJUSBDHQSLSI-NSHDSACASA-N -1 3 369.389 0.226 20 50 FCGDHM C[C@@H](C(=O)N(C)CC(=O)NNc1cccc(-c2nn[n-]n2)c1)n1cccn1 ZINC000824040959 607725282 /nfs/dbraw/zinc/72/52/82/607725282.db2.gz VUCJUSBDHQSLSI-NSHDSACASA-N -1 3 369.389 0.226 20 50 FCGDHM CC1(C)C[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824790840 607823352 /nfs/dbraw/zinc/82/33/52/607823352.db2.gz SJYFDHOVDVHGMW-GFCCVEGCSA-N -1 3 359.390 0.768 20 50 FCGDHM CC1(C)C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824790840 607823353 /nfs/dbraw/zinc/82/33/53/607823353.db2.gz SJYFDHOVDVHGMW-GFCCVEGCSA-N -1 3 359.390 0.768 20 50 FCGDHM O=C(CCC(=O)NC1CCCC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826404591 607889740 /nfs/dbraw/zinc/88/97/40/607889740.db2.gz FXWQUGLVKHBLNA-UHFFFAOYSA-N -1 3 371.401 0.467 20 50 FCGDHM O=C(CCC(=O)NC1CCCC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826404591 607889741 /nfs/dbraw/zinc/88/97/41/607889741.db2.gz FXWQUGLVKHBLNA-UHFFFAOYSA-N -1 3 371.401 0.467 20 50 FCGDHM O=C(CSC1CCOCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826419662 607894175 /nfs/dbraw/zinc/89/41/75/607894175.db2.gz GWDHNAOICIPAQG-UHFFFAOYSA-N -1 3 362.415 0.540 20 50 FCGDHM O=C(CSC1CCOCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826419662 607894176 /nfs/dbraw/zinc/89/41/76/607894176.db2.gz GWDHNAOICIPAQG-UHFFFAOYSA-N -1 3 362.415 0.540 20 50 FCGDHM Cc1c(CCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cnn1C ZINC000826236296 607980425 /nfs/dbraw/zinc/98/04/25/607980425.db2.gz GNZVYAPKNYYUPM-UHFFFAOYSA-N -1 3 354.374 0.302 20 50 FCGDHM Cc1c(CCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cnn1C ZINC000826236296 607980426 /nfs/dbraw/zinc/98/04/26/607980426.db2.gz GNZVYAPKNYYUPM-UHFFFAOYSA-N -1 3 354.374 0.302 20 50 FCGDHM CC[C@@]1(C)COCCN1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825165035 608043664 /nfs/dbraw/zinc/04/36/64/608043664.db2.gz QFHUIHJYLVLMTE-KRWDZBQOSA-N -1 3 373.417 0.129 20 50 FCGDHM CC[C@@]1(C)COCCN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825165035 608043665 /nfs/dbraw/zinc/04/36/65/608043665.db2.gz QFHUIHJYLVLMTE-KRWDZBQOSA-N -1 3 373.417 0.129 20 50 FCGDHM CC[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C[C@H]1O ZINC000825205025 608077906 /nfs/dbraw/zinc/07/79/06/608077906.db2.gz UZDVEGGGPLKNMU-JZMUSQPISA-N -1 3 355.402 0.650 20 50 FCGDHM CC[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C[C@H]1O ZINC000825205025 608077907 /nfs/dbraw/zinc/07/79/07/608077907.db2.gz UZDVEGGGPLKNMU-JZMUSQPISA-N -1 3 355.402 0.650 20 50 FCGDHM C[C@H]1C[C@H](CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824885042 608162885 /nfs/dbraw/zinc/16/28/85/608162885.db2.gz QWSHCTATUBTWDB-WDEREUQCSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@H]1C[C@H](CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824885042 608162887 /nfs/dbraw/zinc/16/28/87/608162887.db2.gz QWSHCTATUBTWDB-WDEREUQCSA-N -1 3 359.390 0.626 20 50 FCGDHM COc1cccc([C@H](O)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826215160 608198774 /nfs/dbraw/zinc/19/87/74/608198774.db2.gz IDLYDPNMWPMQPX-AWEZNQCLSA-N -1 3 368.353 0.370 20 50 FCGDHM COc1cccc([C@H](O)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826215160 608198775 /nfs/dbraw/zinc/19/87/75/608198775.db2.gz IDLYDPNMWPMQPX-AWEZNQCLSA-N -1 3 368.353 0.370 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCCCC(N)=O)cc(-c2nnn[n-]2)n1C ZINC000826235767 608276833 /nfs/dbraw/zinc/27/68/33/608276833.db2.gz QNHNVRVSWWVRJP-KPKJPENVSA-N -1 3 356.390 0.192 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCCCC(N)=O)cc(-c2nn[n-]n2)n1C ZINC000826235767 608276834 /nfs/dbraw/zinc/27/68/34/608276834.db2.gz QNHNVRVSWWVRJP-KPKJPENVSA-N -1 3 356.390 0.192 20 50 FCGDHM Cc1ccc(S(N)(=O)=O)c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826292883 608470890 /nfs/dbraw/zinc/47/08/90/608470890.db2.gz QICSWBRKLKCECI-UHFFFAOYSA-N -1 3 373.398 0.579 20 50 FCGDHM Cc1ccc(S(N)(=O)=O)c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826292883 608470891 /nfs/dbraw/zinc/47/08/91/608470891.db2.gz QICSWBRKLKCECI-UHFFFAOYSA-N -1 3 373.398 0.579 20 50 FCGDHM COC(=O)C1CCC(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826129390 608546325 /nfs/dbraw/zinc/54/63/25/608546325.db2.gz QGLXDWRJJHYYSV-UHFFFAOYSA-N -1 3 372.385 0.607 20 50 FCGDHM COC(=O)C1CCC(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000826129390 608546327 /nfs/dbraw/zinc/54/63/27/608546327.db2.gz QGLXDWRJJHYYSV-UHFFFAOYSA-N -1 3 372.385 0.607 20 50 FCGDHM CSCCNC(=S)NNC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000826229282 608828107 /nfs/dbraw/zinc/82/81/07/608828107.db2.gz YFTNJWLLIFVOIL-UHFFFAOYSA-N -1 3 366.476 0.137 20 50 FCGDHM CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948396 609158866 /nfs/dbraw/zinc/15/88/66/609158866.db2.gz KRAXXZHSZSLKDH-JTQLQIEISA-N -1 3 366.378 0.281 20 50 FCGDHM CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948396 609158868 /nfs/dbraw/zinc/15/88/68/609158868.db2.gz KRAXXZHSZSLKDH-JTQLQIEISA-N -1 3 366.378 0.281 20 50 FCGDHM O=C(CCc1ccco1)NNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826409388 609217394 /nfs/dbraw/zinc/21/73/94/609217394.db2.gz WPQBBSRNFPBWPV-AWEZNQCLSA-N -1 3 356.342 0.273 20 50 FCGDHM O=C(CCc1ccco1)NNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826409388 609217395 /nfs/dbraw/zinc/21/73/95/609217395.db2.gz WPQBBSRNFPBWPV-AWEZNQCLSA-N -1 3 356.342 0.273 20 50 FCGDHM O=C(Cc1ccccc1F)NNC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826424094 609227553 /nfs/dbraw/zinc/22/75/53/609227553.db2.gz VQFCXHBURJDVBP-HNNXBMFYSA-N -1 3 370.344 0.429 20 50 FCGDHM O=C(Cc1ccccc1F)NNC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826424094 609227555 /nfs/dbraw/zinc/22/75/55/609227555.db2.gz VQFCXHBURJDVBP-HNNXBMFYSA-N -1 3 370.344 0.429 20 50 FCGDHM CCNC(=O)N(C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825471320 609266724 /nfs/dbraw/zinc/26/67/24/609266724.db2.gz RTBZPZXKPSAUMW-IZZDOVSWSA-N -1 3 357.378 0.113 20 50 FCGDHM O=C(CO)NNC(=O)c1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000826415080 609285453 /nfs/dbraw/zinc/28/54/53/609285453.db2.gz QWQIGXKPGPTQOV-UHFFFAOYSA-N -1 3 368.353 0.199 20 50 FCGDHM O=C(CO)NNC(=O)c1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000826415080 609285454 /nfs/dbraw/zinc/28/54/54/609285454.db2.gz QWQIGXKPGPTQOV-UHFFFAOYSA-N -1 3 368.353 0.199 20 50 FCGDHM CC/C(C)=C(/C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825050428 609638943 /nfs/dbraw/zinc/63/89/43/609638943.db2.gz JFGBGHKQWZPRFA-KHPPLWFESA-N -1 3 372.385 0.917 20 50 FCGDHM CC/C(C)=C(/C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825050428 609638944 /nfs/dbraw/zinc/63/89/44/609638944.db2.gz JFGBGHKQWZPRFA-KHPPLWFESA-N -1 3 372.385 0.917 20 50 FCGDHM Cc1nnc(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)n1C ZINC000737520749 945088126 /nfs/dbraw/zinc/08/81/26/945088126.db2.gz HUMFQVIZTIHPHJ-XGICHPGQSA-N -1 3 366.389 0.174 20 50 FCGDHM Cc1nnc(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)n1C ZINC000737520749 945088136 /nfs/dbraw/zinc/08/81/36/945088136.db2.gz HUMFQVIZTIHPHJ-XGICHPGQSA-N -1 3 366.389 0.174 20 50 FCGDHM Cc1noc(C)c1CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737537982 945090379 /nfs/dbraw/zinc/09/03/79/945090379.db2.gz QQZYFWBDYPCWOK-UHFFFAOYSA-N -1 3 370.373 0.658 20 50 FCGDHM Cc1noc(C)c1CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737537982 945090387 /nfs/dbraw/zinc/09/03/87/945090387.db2.gz QQZYFWBDYPCWOK-UHFFFAOYSA-N -1 3 370.373 0.658 20 50 FCGDHM Cc1noc([C@H](C)NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000737533946 945090465 /nfs/dbraw/zinc/09/04/65/945090465.db2.gz LMSYBSBKLSHORU-ZETCQYMHSA-N -1 3 357.334 0.263 20 50 FCGDHM Cc1noc([C@H](C)NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000737533946 945090477 /nfs/dbraw/zinc/09/04/77/945090477.db2.gz LMSYBSBKLSHORU-ZETCQYMHSA-N -1 3 357.334 0.263 20 50 FCGDHM Cc1nonc1COC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000737548775 945095173 /nfs/dbraw/zinc/09/51/73/945095173.db2.gz WCAZTHKEGLIKQK-WCIBSUBMSA-N -1 3 354.330 0.855 20 50 FCGDHM Cc1nonc1COC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000737548775 945095182 /nfs/dbraw/zinc/09/51/82/945095182.db2.gz WCAZTHKEGLIKQK-WCIBSUBMSA-N -1 3 354.330 0.855 20 50 FCGDHM NC(=O)[C@@H](NNC(=O)c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737524 945120716 /nfs/dbraw/zinc/12/07/16/945120716.db2.gz SBXGXVHGICGION-ZDUSSCGKSA-N -1 3 371.788 0.981 20 50 FCGDHM NC(=O)[C@@H](NNC(=O)c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737524 945120725 /nfs/dbraw/zinc/12/07/25/945120725.db2.gz SBXGXVHGICGION-ZDUSSCGKSA-N -1 3 371.788 0.981 20 50 FCGDHM O=C(C=CC1CCOCC1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737794669 945126352 /nfs/dbraw/zinc/12/63/52/945126352.db2.gz GGBFEXSJKBXHCH-LZCJLJQNSA-N -1 3 372.385 0.376 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1ccccn1 ZINC000737918825 945151988 /nfs/dbraw/zinc/15/19/88/945151988.db2.gz MWCQBHSFLFBAGB-UHFFFAOYSA-N -1 3 353.342 0.031 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)[C@H]1Cc2ccccc21 ZINC000737919223 945153432 /nfs/dbraw/zinc/15/34/32/945153432.db2.gz QSJDEFMJOYCGPF-HNNXBMFYSA-N -1 3 364.365 0.733 20 50 FCGDHM O=C(Cc1cccnc1)NNC(=S)Nc1ccccc1-c1nnn[n-]1 ZINC000737974205 945168535 /nfs/dbraw/zinc/16/85/35/945168535.db2.gz KEBXRGNDBQHXEA-UHFFFAOYSA-N -1 3 354.399 0.822 20 50 FCGDHM O=C(Cc1cccnc1)NNC(=S)Nc1ccccc1-c1nn[n-]n1 ZINC000737974205 945168537 /nfs/dbraw/zinc/16/85/37/945168537.db2.gz KEBXRGNDBQHXEA-UHFFFAOYSA-N -1 3 354.399 0.822 20 50 FCGDHM O=C(NC[C@@H](O)C1CCCCC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738040432 945175821 /nfs/dbraw/zinc/17/58/21/945175821.db2.gz OSMRAPZWHYXWEO-CQSZACIVSA-N -1 3 373.417 0.752 20 50 FCGDHM O=C(NC[C@@H](O)C1CCCCC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738040432 945175824 /nfs/dbraw/zinc/17/58/24/945175824.db2.gz OSMRAPZWHYXWEO-CQSZACIVSA-N -1 3 373.417 0.752 20 50 FCGDHM O=C(NNC(=O)C1(C(=O)NC2CC2)CCC1)c1cccc(-c2nnn[n-]2)c1 ZINC000738130802 945210380 /nfs/dbraw/zinc/21/03/80/945210380.db2.gz WLUHLCFGWWESSN-UHFFFAOYSA-N -1 3 369.385 0.077 20 50 FCGDHM O=C(NNC(=O)C1(C(=O)NC2CC2)CCC1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130802 945210386 /nfs/dbraw/zinc/21/03/86/945210386.db2.gz WLUHLCFGWWESSN-UHFFFAOYSA-N -1 3 369.385 0.077 20 50 FCGDHM O=C(NNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)c1ccc[nH]1 ZINC000738130834 945213046 /nfs/dbraw/zinc/21/30/46/945213046.db2.gz XFETZDVWTUEJEB-CQSZACIVSA-N -1 3 366.385 0.625 20 50 FCGDHM O=C(NNC(=O)N1CCC2(CC1)OCCO2)c1cccc(-c2nnn[n-]2)c1 ZINC000738136488 945236148 /nfs/dbraw/zinc/23/61/48/945236148.db2.gz MKQXYJTZDJJWDP-UHFFFAOYSA-N -1 3 373.373 0.060 20 50 FCGDHM O=C(NNC(=O)N1CCC2(CC1)OCCO2)c1cccc(-c2nn[n-]n2)c1 ZINC000738136488 945236150 /nfs/dbraw/zinc/23/61/50/945236150.db2.gz MKQXYJTZDJJWDP-UHFFFAOYSA-N -1 3 373.373 0.060 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)N[C@H]1COc2ccccc21 ZINC000738136930 945240455 /nfs/dbraw/zinc/24/04/55/945240455.db2.gz QCYDQNBBXLZIQB-ZDUSSCGKSA-N -1 3 365.353 0.944 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H]1COc2ccccc21 ZINC000738136930 945240465 /nfs/dbraw/zinc/24/04/65/945240465.db2.gz QCYDQNBBXLZIQB-ZDUSSCGKSA-N -1 3 365.353 0.944 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)NOCc1ccccc1 ZINC000738137299 945244704 /nfs/dbraw/zinc/24/47/04/945244704.db2.gz TWILSNYBPQPTAO-UHFFFAOYSA-N -1 3 353.342 0.943 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)NOCc1ccccc1 ZINC000738137299 945244719 /nfs/dbraw/zinc/24/47/19/945244719.db2.gz TWILSNYBPQPTAO-UHFFFAOYSA-N -1 3 353.342 0.943 20 50 FCGDHM C=CCNC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000819751700 945281987 /nfs/dbraw/zinc/28/19/87/945281987.db2.gz ZLVBBQDGEZIWDL-DELQEKLWSA-N -1 3 369.385 0.655 20 50 FCGDHM C=CCNC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000819751700 945281995 /nfs/dbraw/zinc/28/19/95/945281995.db2.gz ZLVBBQDGEZIWDL-DELQEKLWSA-N -1 3 369.385 0.655 20 50 FCGDHM CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000819773895 945289031 /nfs/dbraw/zinc/28/90/31/945289031.db2.gz WYVJVPRUAXXYDT-UHFFFAOYSA-N -1 3 350.342 0.741 20 50 FCGDHM CC(=NNC(=O)C(=O)Nc1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000819773895 945289037 /nfs/dbraw/zinc/28/90/37/945289037.db2.gz WYVJVPRUAXXYDT-UHFFFAOYSA-N -1 3 350.342 0.741 20 50 FCGDHM C[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000819883811 945305386 /nfs/dbraw/zinc/30/53/86/945305386.db2.gz ODGYWTFEPRDSJT-VIFPVBQESA-N -1 3 358.358 0.217 20 50 FCGDHM C[C@H](C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000819883811 945305400 /nfs/dbraw/zinc/30/54/00/945305400.db2.gz ODGYWTFEPRDSJT-VIFPVBQESA-N -1 3 358.358 0.217 20 50 FCGDHM CC(C)CCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820067830 945342453 /nfs/dbraw/zinc/34/24/53/945342453.db2.gz MDZXOSBKKZGDQO-UHFFFAOYSA-N -1 3 360.374 0.607 20 50 FCGDHM CC(C)CCC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820067830 945342463 /nfs/dbraw/zinc/34/24/63/945342463.db2.gz MDZXOSBKKZGDQO-UHFFFAOYSA-N -1 3 360.374 0.607 20 50 FCGDHM C#CCOc1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000735381537 944641784 /nfs/dbraw/zinc/64/17/84/944641784.db2.gz VEPWVIMPVUMGTO-UHFFFAOYSA-N -1 3 362.349 0.954 20 50 FCGDHM C#CCOc1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000735381537 944641788 /nfs/dbraw/zinc/64/17/88/944641788.db2.gz VEPWVIMPVUMGTO-UHFFFAOYSA-N -1 3 362.349 0.954 20 50 FCGDHM CC(C)[C@@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)N1CCCC1=O ZINC000735689948 944691675 /nfs/dbraw/zinc/69/16/75/944691675.db2.gz FHPZHZRAWCTGHM-AWEZNQCLSA-N -1 3 371.401 0.275 20 50 FCGDHM CC(C)[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)N1CCCC1=O ZINC000735689948 944691682 /nfs/dbraw/zinc/69/16/82/944691682.db2.gz FHPZHZRAWCTGHM-AWEZNQCLSA-N -1 3 371.401 0.275 20 50 FCGDHM CC(C)[C@H](C)CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735703529 944692164 /nfs/dbraw/zinc/69/21/64/944692164.db2.gz UMXCVRMVTSFINI-LLVKDONJSA-N -1 3 361.406 0.868 20 50 FCGDHM CC(C)[C@H](C)CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735703529 944692170 /nfs/dbraw/zinc/69/21/70/944692170.db2.gz UMXCVRMVTSFINI-LLVKDONJSA-N -1 3 361.406 0.868 20 50 FCGDHM CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735759229 944698705 /nfs/dbraw/zinc/69/87/05/944698705.db2.gz QKNDOYJTYMTNED-GFCCVEGCSA-N -1 3 359.434 0.881 20 50 FCGDHM CC(C)CC(=O)NNC(=O)[C@@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735759229 944698709 /nfs/dbraw/zinc/69/87/09/944698709.db2.gz QKNDOYJTYMTNED-GFCCVEGCSA-N -1 3 359.434 0.881 20 50 FCGDHM CC(C)c1noc(OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000735952971 944727114 /nfs/dbraw/zinc/72/71/14/944727114.db2.gz FCQBWZJFTNRHNS-UHFFFAOYSA-N -1 3 372.345 0.213 20 50 FCGDHM CC(C)c1noc(OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000735952971 944727122 /nfs/dbraw/zinc/72/71/22/944727122.db2.gz FCQBWZJFTNRHNS-UHFFFAOYSA-N -1 3 372.345 0.213 20 50 FCGDHM C[C@H]([C@H](C)NC(=O)NNc1cccc(-c2nnn[n-]2)c1)N1CCOCC1 ZINC000736119828 944745732 /nfs/dbraw/zinc/74/57/32/944745732.db2.gz UYFQGNCWWMOVRZ-NWDGAFQWSA-N -1 3 360.422 0.602 20 50 FCGDHM C[C@H]([C@H](C)NC(=O)NNc1cccc(-c2nn[n-]n2)c1)N1CCOCC1 ZINC000736119828 944745737 /nfs/dbraw/zinc/74/57/37/944745737.db2.gz UYFQGNCWWMOVRZ-NWDGAFQWSA-N -1 3 360.422 0.602 20 50 FCGDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NN=c1ccnc(N(C)C)[nH]1 ZINC000736185032 944755713 /nfs/dbraw/zinc/75/57/13/944755713.db2.gz RHFFNCMJJYKAAZ-SNVBAGLBSA-N -1 3 369.389 0.633 20 50 FCGDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NN=c1ccnc(N(C)C)[nH]1 ZINC000736185032 944755721 /nfs/dbraw/zinc/75/57/21/944755721.db2.gz RHFFNCMJJYKAAZ-SNVBAGLBSA-N -1 3 369.389 0.633 20 50 FCGDHM CC1(C)C[C@H]1CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736209643 944764065 /nfs/dbraw/zinc/76/40/65/944764065.db2.gz CHHQIMIQLCHKIO-NSHDSACASA-N -1 3 359.390 0.622 20 50 FCGDHM C[C@@H]1CCCN(S(=O)(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736275208 944783815 /nfs/dbraw/zinc/78/38/15/944783815.db2.gz APTIVQSRMMGYOF-SNVBAGLBSA-N -1 3 365.419 0.078 20 50 FCGDHM C[C@@H]1CCCN(S(=O)(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736275208 944783824 /nfs/dbraw/zinc/78/38/24/944783824.db2.gz APTIVQSRMMGYOF-SNVBAGLBSA-N -1 3 365.419 0.078 20 50 FCGDHM CCC(CC)[C@H](O)CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736336184 944804522 /nfs/dbraw/zinc/80/45/22/944804522.db2.gz AJVPRCHVQMARBM-CYBMUJFWSA-N -1 3 361.406 0.608 20 50 FCGDHM CCC(CC)[C@H](O)CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736336184 944804530 /nfs/dbraw/zinc/80/45/30/944804530.db2.gz AJVPRCHVQMARBM-CYBMUJFWSA-N -1 3 361.406 0.608 20 50 FCGDHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)NNC(=O)Cc1cccnc1 ZINC000736820508 944895818 /nfs/dbraw/zinc/89/58/18/944895818.db2.gz NVLJSBGYALSCBC-UHFFFAOYSA-N -1 3 366.385 0.677 20 50 FCGDHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)NNC(=O)Cc1cccnc1 ZINC000736820508 944895820 /nfs/dbraw/zinc/89/58/20/944895820.db2.gz NVLJSBGYALSCBC-UHFFFAOYSA-N -1 3 366.385 0.677 20 50 FCGDHM CO[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C(F)(F)F ZINC000736963898 944920420 /nfs/dbraw/zinc/92/04/20/944920420.db2.gz VENODNRBXLUJOA-VIFPVBQESA-N -1 3 373.295 0.388 20 50 FCGDHM CO[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C(F)(F)F ZINC000736963898 944920427 /nfs/dbraw/zinc/92/04/27/944920427.db2.gz VENODNRBXLUJOA-VIFPVBQESA-N -1 3 373.295 0.388 20 50 FCGDHM COC[C@@H]1CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)C1 ZINC000736970610 944922476 /nfs/dbraw/zinc/92/24/76/944922476.db2.gz DCUUTXSUDNVHQC-KXQKXUNCSA-N -1 3 355.402 0.916 20 50 FCGDHM COC[C@@H]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)C1 ZINC000736970610 944922488 /nfs/dbraw/zinc/92/24/88/944922488.db2.gz DCUUTXSUDNVHQC-KXQKXUNCSA-N -1 3 355.402 0.916 20 50 FCGDHM COC[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CCO1 ZINC000736976186 944924474 /nfs/dbraw/zinc/92/44/74/944924474.db2.gz JNPUSCNQBGDFOK-XMRSSTEGSA-N -1 3 371.401 0.294 20 50 FCGDHM COC[C@@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CCO1 ZINC000736976186 944924481 /nfs/dbraw/zinc/92/44/81/944924481.db2.gz JNPUSCNQBGDFOK-XMRSSTEGSA-N -1 3 371.401 0.294 20 50 FCGDHM COCCOCCOC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000737011597 944931190 /nfs/dbraw/zinc/93/11/90/944931190.db2.gz WWSBLINMAQYUMK-JYRVWZFOSA-N -1 3 360.374 0.627 20 50 FCGDHM COCCOCCOC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000737011597 944931195 /nfs/dbraw/zinc/93/11/95/944931195.db2.gz WWSBLINMAQYUMK-JYRVWZFOSA-N -1 3 360.374 0.627 20 50 FCGDHM COc1ccc(C=NNC(=O)CNC(=O)c2ccco2)cc1-c1nnn[n-]1 ZINC000737081516 944952333 /nfs/dbraw/zinc/95/23/33/944952333.db2.gz OJSPKNPJNWSDIC-UHFFFAOYSA-N -1 3 369.341 0.348 20 50 FCGDHM COc1ccc(C=NNC(=O)CNC(=O)c2ccco2)cc1-c1nn[n-]n1 ZINC000737081516 944952344 /nfs/dbraw/zinc/95/23/44/944952344.db2.gz OJSPKNPJNWSDIC-UHFFFAOYSA-N -1 3 369.341 0.348 20 50 FCGDHM COc1ccc(OC)c(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737109003 944960635 /nfs/dbraw/zinc/96/06/35/944960635.db2.gz MZYFOLNOCPSPSC-UHFFFAOYSA-N -1 3 368.353 0.959 20 50 FCGDHM Cc1n[nH]cc1CCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737201611 944983412 /nfs/dbraw/zinc/98/34/12/944983412.db2.gz IDDCTXROPZWYAB-UHFFFAOYSA-N -1 3 369.389 0.475 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)Cc2cnccn2)cc(-c2nnn[n-]2)n1C ZINC000737213302 945000588 /nfs/dbraw/zinc/00/05/88/945000588.db2.gz RNJRTCFCBFNSCK-MLPAPPSSSA-N -1 3 363.385 0.869 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)Cc2cnccn2)cc(-c2nn[n-]n2)n1C ZINC000737213302 945000597 /nfs/dbraw/zinc/00/05/97/945000597.db2.gz RNJRTCFCBFNSCK-MLPAPPSSSA-N -1 3 363.385 0.869 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCC3(C2)OCCO3)cc(-c2nnn[n-]2)n1C ZINC000737213681 945006965 /nfs/dbraw/zinc/00/69/65/945006965.db2.gz VRBMHWUAPBBPRD-QPEQYQDCSA-N -1 3 369.385 0.396 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCC3(C2)OCCO3)cc(-c2nn[n-]n2)n1C ZINC000737213681 945006975 /nfs/dbraw/zinc/00/69/75/945006975.db2.gz VRBMHWUAPBBPRD-QPEQYQDCSA-N -1 3 369.385 0.396 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)Cc1ccncc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820374966 945438421 /nfs/dbraw/zinc/43/84/21/945438421.db2.gz UTVYOUYBKAEBEN-LLVKDONJSA-N -1 3 366.385 0.896 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)Cc1ccncc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820374966 945438426 /nfs/dbraw/zinc/43/84/26/945438426.db2.gz UTVYOUYBKAEBEN-LLVKDONJSA-N -1 3 366.385 0.896 20 50 FCGDHM C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC(C)(C)O1 ZINC000820752671 945552076 /nfs/dbraw/zinc/55/20/76/945552076.db2.gz PMPRSDPRVZXJPN-LLVKDONJSA-N -1 3 373.417 0.127 20 50 FCGDHM C[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC(C)(C)O1 ZINC000820752671 945552084 /nfs/dbraw/zinc/55/20/84/945552084.db2.gz PMPRSDPRVZXJPN-LLVKDONJSA-N -1 3 373.417 0.127 20 50 FCGDHM CC=CC=CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820832221 945565414 /nfs/dbraw/zinc/56/54/14/945565414.db2.gz IGSKUYZWRQWYKD-IAROGAJJSA-N -1 3 356.342 0.303 20 50 FCGDHM CC=CC=CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820832221 945565422 /nfs/dbraw/zinc/56/54/22/945565422.db2.gz IGSKUYZWRQWYKD-IAROGAJJSA-N -1 3 356.342 0.303 20 50 FCGDHM CC[C@H](CCO)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000820901590 945586345 /nfs/dbraw/zinc/58/63/45/945586345.db2.gz CKTZFUKBAIZOCW-CWZJEYLYSA-N -1 3 357.418 0.945 20 50 FCGDHM CC[C@H](CCO)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000820901590 945586352 /nfs/dbraw/zinc/58/63/52/945586352.db2.gz CKTZFUKBAIZOCW-CWZJEYLYSA-N -1 3 357.418 0.945 20 50 FCGDHM CCC1(CNC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000820962258 945598126 /nfs/dbraw/zinc/59/81/26/945598126.db2.gz LQJDPVIRNQLFTH-UHFFFAOYSA-N -1 3 359.390 0.766 20 50 FCGDHM COC(=O)C[C@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821658790 945783039 /nfs/dbraw/zinc/78/30/39/945783039.db2.gz IINUNCXVBFFREX-GFCCVEGCSA-N -1 3 373.373 0.249 20 50 FCGDHM COC(=O)C[C@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821658790 945783047 /nfs/dbraw/zinc/78/30/47/945783047.db2.gz IINUNCXVBFFREX-GFCCVEGCSA-N -1 3 373.373 0.249 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)C(=O)N(C)C)cc(-c2nnn[n-]2)n1C ZINC000822027492 945934456 /nfs/dbraw/zinc/93/44/56/945934456.db2.gz HIKMHIUEVIULHS-OGGBREFQSA-N -1 3 357.374 0.441 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)C(=O)N(C)C)cc(-c2nn[n-]n2)n1C ZINC000822027492 945934462 /nfs/dbraw/zinc/93/44/62/945934462.db2.gz HIKMHIUEVIULHS-OGGBREFQSA-N -1 3 357.374 0.441 20 50 FCGDHM Cc1ccc(NCC(=O)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)c(C)c1 ZINC000822254591 946033664 /nfs/dbraw/zinc/03/36/64/946033664.db2.gz NSIHPIGPZSHSRN-UHFFFAOYSA-N -1 3 368.401 0.695 20 50 FCGDHM Cc1ccc(NCC(=O)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)c(C)c1 ZINC000822254591 946033677 /nfs/dbraw/zinc/03/36/77/946033677.db2.gz NSIHPIGPZSHSRN-UHFFFAOYSA-N -1 3 368.401 0.695 20 50 FCGDHM Cn1nc2c(c1C(=O)NNC(=O)c1cccc(-c3nnn[n-]3)c1)CCCC2 ZINC000822704948 946164708 /nfs/dbraw/zinc/16/47/08/946164708.db2.gz SHFBZLDBCHWSTO-UHFFFAOYSA-N -1 3 366.385 0.554 20 50 FCGDHM Cn1nc2c(c1C(=O)NNC(=O)c1cccc(-c3nn[n-]n3)c1)CCCC2 ZINC000822704948 946164715 /nfs/dbraw/zinc/16/47/15/946164715.db2.gz SHFBZLDBCHWSTO-UHFFFAOYSA-N -1 3 366.385 0.554 20 50 FCGDHM O=C(COC(=O)c1ccco1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823027512 946280737 /nfs/dbraw/zinc/28/07/37/946280737.db2.gz VNQPWGQFDMUYIQ-UHFFFAOYSA-N -1 3 356.298 0.078 20 50 FCGDHM O=C(COC(=O)c1ccco1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823027512 946280742 /nfs/dbraw/zinc/28/07/42/946280742.db2.gz VNQPWGQFDMUYIQ-UHFFFAOYSA-N -1 3 356.298 0.078 20 50 FCGDHM O=C(COC(=O)c1cccs1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823026949 946281765 /nfs/dbraw/zinc/28/17/65/946281765.db2.gz JUATWDDLICOANE-UHFFFAOYSA-N -1 3 372.366 0.546 20 50 FCGDHM O=C(COC(=O)c1cccs1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823026949 946281771 /nfs/dbraw/zinc/28/17/71/946281771.db2.gz JUATWDDLICOANE-UHFFFAOYSA-N -1 3 372.366 0.546 20 50 FCGDHM O=C(Cc1ccncc1)NNC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000823115361 946317091 /nfs/dbraw/zinc/31/70/91/946317091.db2.gz MRLCQVNCZQKWFB-UHFFFAOYSA-N -1 3 352.358 0.335 20 50 FCGDHM O=C(Cc1ccncc1)NNC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000823115361 946317114 /nfs/dbraw/zinc/31/71/14/946317114.db2.gz MRLCQVNCZQKWFB-UHFFFAOYSA-N -1 3 352.358 0.335 20 50 FCGDHM CC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823994701 946535701 /nfs/dbraw/zinc/53/57/01/946535701.db2.gz MQEYVJKGVYGYTC-ZDUSSCGKSA-N -1 3 359.390 0.179 20 50 FCGDHM CC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823994701 946535707 /nfs/dbraw/zinc/53/57/07/946535707.db2.gz MQEYVJKGVYGYTC-ZDUSSCGKSA-N -1 3 359.390 0.179 20 50 FCGDHM COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(F)cc1-c1nnn[n-]1 ZINC000826160210 947504631 /nfs/dbraw/zinc/50/46/31/947504631.db2.gz JBCFFPJLJUNNOG-QMMMGPOBSA-N -1 3 367.341 0.210 20 50 FCGDHM COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(F)cc1-c1nn[n-]n1 ZINC000826160210 947504643 /nfs/dbraw/zinc/50/46/43/947504643.db2.gz JBCFFPJLJUNNOG-QMMMGPOBSA-N -1 3 367.341 0.210 20 50 FCGDHM COc1ccc(CCC(=O)NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000826192048 947588267 /nfs/dbraw/zinc/58/82/67/947588267.db2.gz XWYCKHACUDTQJS-UHFFFAOYSA-N -1 3 355.358 0.597 20 50 FCGDHM COc1ccc(CCC(=O)NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000826192048 947588277 /nfs/dbraw/zinc/58/82/77/947588277.db2.gz XWYCKHACUDTQJS-UHFFFAOYSA-N -1 3 355.358 0.597 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2C=C[C@H](CO)C2)cc(-c2nnn[n-]2)n1C ZINC000826235114 947688917 /nfs/dbraw/zinc/68/89/17/947688917.db2.gz BVRYXMAGUYYAOF-FJEWAWTASA-N -1 3 353.386 0.474 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2C=C[C@H](CO)C2)cc(-c2nn[n-]n2)n1C ZINC000826235114 947688921 /nfs/dbraw/zinc/68/89/21/947688921.db2.gz BVRYXMAGUYYAOF-FJEWAWTASA-N -1 3 353.386 0.474 20 50 FCGDHM CC(=O)CCC(C)(C)C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC001573365790 947735456 /nfs/dbraw/zinc/73/54/56/947735456.db2.gz NQPNERHYEORPCB-UHFFFAOYSA-N -1 3 374.401 0.788 20 50 FCGDHM CC(C)C1(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)COC1 ZINC001574083193 948878438 /nfs/dbraw/zinc/87/84/38/948878438.db2.gz PVFNIKSYMLDKBB-UHFFFAOYSA-N -1 3 360.374 0.066 20 50 FCGDHM O=C(CCNC(=O)OCC(F)(F)F)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826407163 607334335 /nfs/dbraw/zinc/33/43/35/607334335.db2.gz DERYEVMCQXPFOW-UHFFFAOYSA-N -1 3 373.295 0.988 20 50 FCGDHM O=C(CCNC(=O)OCC(F)(F)F)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826407163 607334337 /nfs/dbraw/zinc/33/43/37/607334337.db2.gz DERYEVMCQXPFOW-UHFFFAOYSA-N -1 3 373.295 0.988 20 50 FCGDHM Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)ccc1-n1cnnn1 ZINC000826259882 607346681 /nfs/dbraw/zinc/34/66/81/607346681.db2.gz KUQCQVGOANTGRU-UHFFFAOYSA-N -1 3 362.357 0.908 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cnc2sccn2c1=O ZINC000826447385 607347484 /nfs/dbraw/zinc/34/74/84/607347484.db2.gz CLRFYECVACXQSQ-UHFFFAOYSA-N -1 3 354.355 0.693 20 50 FCGDHM C[C@]12CCC(=O)N1[C@@H](C(=O)NNc1ccc(-c3nn[n-]n3)cc1)CS2 ZINC000824852303 607352659 /nfs/dbraw/zinc/35/26/59/607352659.db2.gz JZBWYVIIHRDRBZ-ABAIWWIYSA-N -1 3 359.415 0.764 20 50 FCGDHM O=C(NNC(=O)[C@@H]1CCn2ccnc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444595 607462498 /nfs/dbraw/zinc/46/24/98/607462498.db2.gz MUUBICOTURNUMI-GFCCVEGCSA-N -1 3 352.358 0.087 20 50 FCGDHM O=C(NNC(=O)[C@@H]1CCn2ccnc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444595 607462499 /nfs/dbraw/zinc/46/24/99/607462499.db2.gz MUUBICOTURNUMI-GFCCVEGCSA-N -1 3 352.358 0.087 20 50 FCGDHM O=C(NNC(=O)[C@@H]1CCn2ccnc2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444459 607462600 /nfs/dbraw/zinc/46/26/00/607462600.db2.gz HILDKFHJQVWYLW-GFCCVEGCSA-N -1 3 352.358 0.087 20 50 FCGDHM O=C(NNC(=O)[C@@H]1CCn2ccnc2C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444459 607462602 /nfs/dbraw/zinc/46/26/02/607462602.db2.gz HILDKFHJQVWYLW-GFCCVEGCSA-N -1 3 352.358 0.087 20 50 FCGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNc1cccc(F)c1 ZINC000826411853 607463733 /nfs/dbraw/zinc/46/37/33/607463733.db2.gz QEZGZECEFUPOPW-UHFFFAOYSA-N -1 3 355.333 0.879 20 50 FCGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNc1cccc(F)c1 ZINC000826411853 607463735 /nfs/dbraw/zinc/46/37/35/607463735.db2.gz QEZGZECEFUPOPW-UHFFFAOYSA-N -1 3 355.333 0.879 20 50 FCGDHM O=C(CNC(=O)c1cccc(F)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826412334 607463861 /nfs/dbraw/zinc/46/38/61/607463861.db2.gz KMAYQKKKUXEWRX-UHFFFAOYSA-N -1 3 355.333 0.879 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1cnc2n1CCCC2 ZINC000826445094 607567735 /nfs/dbraw/zinc/56/77/35/607567735.db2.gz GRIBHHHDBDPXDC-UHFFFAOYSA-N -1 3 352.358 0.474 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1cnc2n1CCCC2 ZINC000826445094 607567737 /nfs/dbraw/zinc/56/77/37/607567737.db2.gz GRIBHHHDBDPXDC-UHFFFAOYSA-N -1 3 352.358 0.474 20 50 FCGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNC(=O)c1ccc2c(c1)OCO2 ZINC000826249856 607648320 /nfs/dbraw/zinc/64/83/20/607648320.db2.gz YOQLPXXZQWGCOI-UHFFFAOYSA-N -1 3 366.337 0.979 20 50 FCGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNC(=O)c1ccc2c(c1)OCO2 ZINC000826249856 607648324 /nfs/dbraw/zinc/64/83/24/607648324.db2.gz YOQLPXXZQWGCOI-UHFFFAOYSA-N -1 3 366.337 0.979 20 50 FCGDHM NS(=O)(=O)c1cccc(NC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826395020 607672423 /nfs/dbraw/zinc/67/24/23/607672423.db2.gz JTQQZBUSFPIHRJ-UHFFFAOYSA-N -1 3 374.386 0.663 20 50 FCGDHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826223379 607718959 /nfs/dbraw/zinc/71/89/59/607718959.db2.gz KSBUMKCCHLIHCG-GFCCVEGCSA-N -1 3 365.419 0.124 20 50 FCGDHM CS(=O)(=O)N1CCCC[C@@H]1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826223379 607718961 /nfs/dbraw/zinc/71/89/61/607718961.db2.gz KSBUMKCCHLIHCG-GFCCVEGCSA-N -1 3 365.419 0.124 20 50 FCGDHM NC(=O)N[C@H](Cc1ccccc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826392185 607719266 /nfs/dbraw/zinc/71/92/66/607719266.db2.gz PTNLLYDVIDNEBZ-CQSZACIVSA-N -1 3 366.385 0.589 20 50 FCGDHM NC(=O)N[C@H](Cc1ccccc1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826392185 607719268 /nfs/dbraw/zinc/71/92/68/607719268.db2.gz PTNLLYDVIDNEBZ-CQSZACIVSA-N -1 3 366.385 0.589 20 50 FCGDHM O=C(CNC(=O)Cc1cccc(F)c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826423194 607721316 /nfs/dbraw/zinc/72/13/16/607721316.db2.gz CPPUEDKWNWFGOA-UHFFFAOYSA-N -1 3 369.360 0.808 20 50 FCGDHM O=C(CNC(=O)Cc1cccc(F)c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826423194 607721318 /nfs/dbraw/zinc/72/13/18/607721318.db2.gz CPPUEDKWNWFGOA-UHFFFAOYSA-N -1 3 369.360 0.808 20 50 FCGDHM Cc1cnccc1CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826319634 607860892 /nfs/dbraw/zinc/86/08/92/607860892.db2.gz LGOSKEMQWYPPNC-UHFFFAOYSA-N -1 3 366.385 0.757 20 50 FCGDHM Cc1cnccc1CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826319634 607860893 /nfs/dbraw/zinc/86/08/93/607860893.db2.gz LGOSKEMQWYPPNC-UHFFFAOYSA-N -1 3 366.385 0.757 20 50 FCGDHM NC(=O)c1cccc(C=NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826393435 607882290 /nfs/dbraw/zinc/88/22/90/607882290.db2.gz RSIMORUSURQTKO-UHFFFAOYSA-N -1 3 365.353 0.495 20 50 FCGDHM O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826425848 607882301 /nfs/dbraw/zinc/88/23/01/607882301.db2.gz WMXWDYBGKLIJPW-UHFFFAOYSA-N -1 3 374.368 0.671 20 50 FCGDHM O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826425848 607882302 /nfs/dbraw/zinc/88/23/02/607882302.db2.gz WMXWDYBGKLIJPW-UHFFFAOYSA-N -1 3 374.368 0.671 20 50 FCGDHM CC[C@H]1CO[C@H](C)CN1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825218009 607921504 /nfs/dbraw/zinc/92/15/04/607921504.db2.gz AEWGZZSJFFZPPL-RISCZKNCSA-N -1 3 373.417 0.127 20 50 FCGDHM CC[C@H]1CO[C@H](C)CN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825218009 607921505 /nfs/dbraw/zinc/92/15/05/607921505.db2.gz AEWGZZSJFFZPPL-RISCZKNCSA-N -1 3 373.417 0.127 20 50 FCGDHM CCN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C[C@@H](C)C#N ZINC000825395613 607922451 /nfs/dbraw/zinc/92/24/51/607922451.db2.gz SMTFYPQTLICXLX-NSHDSACASA-N -1 3 356.390 0.109 20 50 FCGDHM CCN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C[C@@H](C)C#N ZINC000825395613 607922452 /nfs/dbraw/zinc/92/24/52/607922452.db2.gz SMTFYPQTLICXLX-NSHDSACASA-N -1 3 356.390 0.109 20 50 FCGDHM CCN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C[C@H](C)C#N ZINC000825395611 607922578 /nfs/dbraw/zinc/92/25/78/607922578.db2.gz SMTFYPQTLICXLX-LLVKDONJSA-N -1 3 356.390 0.109 20 50 FCGDHM CCN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C[C@H](C)C#N ZINC000825395611 607922579 /nfs/dbraw/zinc/92/25/79/607922579.db2.gz SMTFYPQTLICXLX-LLVKDONJSA-N -1 3 356.390 0.109 20 50 FCGDHM C[C@H]1CSCCN1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825014581 607923088 /nfs/dbraw/zinc/92/30/88/607923088.db2.gz XMBFEPVMSSJJKH-JTQLQIEISA-N -1 3 361.431 0.065 20 50 FCGDHM C[C@H]1CSCCN1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825014581 607923089 /nfs/dbraw/zinc/92/30/89/607923089.db2.gz XMBFEPVMSSJJKH-JTQLQIEISA-N -1 3 361.431 0.065 20 50 FCGDHM CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823982224 607925814 /nfs/dbraw/zinc/92/58/14/607925814.db2.gz WZHGISRQTHWSQZ-CYBMUJFWSA-N -1 3 357.374 0.029 20 50 FCGDHM CC(=O)N1CCCC[C@@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823982224 607925815 /nfs/dbraw/zinc/92/58/15/607925815.db2.gz WZHGISRQTHWSQZ-CYBMUJFWSA-N -1 3 357.374 0.029 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1)C1CCC1 ZINC000824498884 607927839 /nfs/dbraw/zinc/92/78/39/607927839.db2.gz LQQPHCIVQQFJTO-JTQLQIEISA-N -1 3 359.390 0.765 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1)C1CCC1 ZINC000824498884 607927840 /nfs/dbraw/zinc/92/78/40/607927840.db2.gz LQQPHCIVQQFJTO-JTQLQIEISA-N -1 3 359.390 0.765 20 50 FCGDHM O=C(NNC(=O)[C@H]1CCc2n[nH]cc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444586 607938502 /nfs/dbraw/zinc/93/85/02/607938502.db2.gz MGLVUJFIWRWSSP-NSHDSACASA-N -1 3 352.358 0.156 20 50 FCGDHM Cn1ccc(NC(=O)C(C#N)=Cc2cnc3ccc(-c4nnn[n-]4)cn23)n1 ZINC000826363359 607982817 /nfs/dbraw/zinc/98/28/17/607982817.db2.gz IYOVLWKDFJQHHL-IZZDOVSWSA-N -1 3 360.341 0.794 20 50 FCGDHM Cn1ccc(NC(=O)C(C#N)=Cc2cnc3ccc(-c4nn[n-]n4)cn23)n1 ZINC000826363359 607982818 /nfs/dbraw/zinc/98/28/18/607982818.db2.gz IYOVLWKDFJQHHL-IZZDOVSWSA-N -1 3 360.341 0.794 20 50 FCGDHM CCc1ccccc1OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825728674 608110300 /nfs/dbraw/zinc/11/03/00/608110300.db2.gz VOQBHUNNLNYJAQ-UHFFFAOYSA-N -1 3 355.358 0.597 20 50 FCGDHM CCc1ccccc1OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825728674 608110301 /nfs/dbraw/zinc/11/03/01/608110301.db2.gz VOQBHUNNLNYJAQ-UHFFFAOYSA-N -1 3 355.358 0.597 20 50 FCGDHM C[C@H]1C[C@@H](CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824884352 608163066 /nfs/dbraw/zinc/16/30/66/608163066.db2.gz NQKBBLZEZSHSFD-QWRGUYRKSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@H]1C[C@@H](CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824884352 608163068 /nfs/dbraw/zinc/16/30/68/608163068.db2.gz NQKBBLZEZSHSFD-QWRGUYRKSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@@H]1C[C@@H](CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000824884351 608163186 /nfs/dbraw/zinc/16/31/86/608163186.db2.gz NQKBBLZEZSHSFD-MNOVXSKESA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@@H]1C[C@@H](CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000824884351 608163187 /nfs/dbraw/zinc/16/31/87/608163187.db2.gz NQKBBLZEZSHSFD-MNOVXSKESA-N -1 3 359.390 0.626 20 50 FCGDHM CN(CCc1cnccn1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825949897 608163436 /nfs/dbraw/zinc/16/34/36/608163436.db2.gz DHCSNSLCVNFURB-UHFFFAOYSA-N -1 3 367.373 0.186 20 50 FCGDHM CN(CCc1cnccn1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825949897 608163437 /nfs/dbraw/zinc/16/34/37/608163437.db2.gz DHCSNSLCVNFURB-UHFFFAOYSA-N -1 3 367.373 0.186 20 50 FCGDHM O=C(NNC(=O)[C@H](O)CCc1ccccc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444546 608197578 /nfs/dbraw/zinc/19/75/78/608197578.db2.gz KVUGMDVJFIKVGV-OAHLLOKOSA-N -1 3 366.381 0.621 20 50 FCGDHM O=C(NNC(=O)[C@H](O)CCc1ccccc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444546 608197580 /nfs/dbraw/zinc/19/75/80/608197580.db2.gz KVUGMDVJFIKVGV-OAHLLOKOSA-N -1 3 366.381 0.621 20 50 FCGDHM COc1cccc([C@@H](O)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000826215161 608198876 /nfs/dbraw/zinc/19/88/76/608198876.db2.gz IDLYDPNMWPMQPX-CQSZACIVSA-N -1 3 368.353 0.370 20 50 FCGDHM COc1cccc([C@@H](O)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000826215161 608198878 /nfs/dbraw/zinc/19/88/78/608198878.db2.gz IDLYDPNMWPMQPX-CQSZACIVSA-N -1 3 368.353 0.370 20 50 FCGDHM Cn1cc(/C=C(\C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c(=O)n(C)c1=O ZINC000826360087 608215473 /nfs/dbraw/zinc/21/54/73/608215473.db2.gz XJGKVSLRTXXJGH-KPKJPENVSA-N -1 3 363.337 0.054 20 50 FCGDHM Cc1ccc(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1O ZINC000826286780 608280249 /nfs/dbraw/zinc/28/02/49/608280249.db2.gz PYARMVHLMGQYQT-UHFFFAOYSA-N -1 3 352.354 0.884 20 50 FCGDHM Cc1ccc(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1O ZINC000826286780 608280251 /nfs/dbraw/zinc/28/02/51/608280251.db2.gz PYARMVHLMGQYQT-UHFFFAOYSA-N -1 3 352.354 0.884 20 50 FCGDHM CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000824070726 608550088 /nfs/dbraw/zinc/55/00/88/608550088.db2.gz ATVNFXQDMKRKIN-UHFFFAOYSA-N -1 3 365.781 0.652 20 50 FCGDHM CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000824070726 608550090 /nfs/dbraw/zinc/55/00/90/608550090.db2.gz ATVNFXQDMKRKIN-UHFFFAOYSA-N -1 3 365.781 0.652 20 50 FCGDHM CSCCNC(=S)NNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826229309 608765219 /nfs/dbraw/zinc/76/52/19/608765219.db2.gz ZGVQGWRITARPSH-SREVYHEPSA-N -1 3 363.472 0.738 20 50 FCGDHM CSCCNC(=S)NNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826229309 608765221 /nfs/dbraw/zinc/76/52/21/608765221.db2.gz ZGVQGWRITARPSH-SREVYHEPSA-N -1 3 363.472 0.738 20 50 FCGDHM CSCCNC(=S)NNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000826229310 608765324 /nfs/dbraw/zinc/76/53/24/608765324.db2.gz ZGVQGWRITARPSH-VOTSOKGWSA-N -1 3 363.472 0.738 20 50 FCGDHM CSCCNC(=S)NNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000826229310 608765325 /nfs/dbraw/zinc/76/53/25/608765325.db2.gz ZGVQGWRITARPSH-VOTSOKGWSA-N -1 3 363.472 0.738 20 50 FCGDHM COc1ncnc(N(C)C)c1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826221962 608816849 /nfs/dbraw/zinc/81/68/49/608816849.db2.gz CEPSURMDNMDHHQ-UHFFFAOYSA-N -1 3 370.377 0.880 20 50 FCGDHM COc1ncnc(N(C)C)c1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826221962 608816852 /nfs/dbraw/zinc/81/68/52/608816852.db2.gz CEPSURMDNMDHHQ-UHFFFAOYSA-N -1 3 370.377 0.880 20 50 FCGDHM C[C@]1(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCCOC1 ZINC000824783937 609280139 /nfs/dbraw/zinc/28/01/39/609280139.db2.gz KUSLWHFMOXATDX-INIZCTEOSA-N -1 3 360.374 0.210 20 50 FCGDHM Cc1cc(C(=O)NN(C)C(N)=O)c(C)n1-c1ccc(-c2nn[n-]n2)cc1 ZINC000826260109 609395486 /nfs/dbraw/zinc/39/54/86/609395486.db2.gz WNLROWXZGMTLDK-UHFFFAOYSA-N -1 3 354.374 0.930 20 50 FCGDHM CC(C)(C#N)CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000824058651 609411766 /nfs/dbraw/zinc/41/17/66/609411766.db2.gz ABFZDZDWYWJZHA-UHFFFAOYSA-N -1 3 358.362 0.126 20 50 FCGDHM CC(C)(C#N)CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000824058651 609411767 /nfs/dbraw/zinc/41/17/67/609411767.db2.gz ABFZDZDWYWJZHA-UHFFFAOYSA-N -1 3 358.362 0.126 20 50 FCGDHM COc1cc(Cl)ccc1C(=O)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826179807 609421117 /nfs/dbraw/zinc/42/11/17/609421117.db2.gz FNRODJVGVYBJQR-UHFFFAOYSA-N -1 3 361.749 0.932 20 50 FCGDHM O=C(Cn1ccc2ccccc21)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826424637 609458239 /nfs/dbraw/zinc/45/82/39/609458239.db2.gz VYTNUANXXXAKSI-UHFFFAOYSA-N -1 3 350.342 0.611 20 50 FCGDHM O=C(Cn1ccc2ccccc21)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826424637 609458240 /nfs/dbraw/zinc/45/82/40/609458240.db2.gz VYTNUANXXXAKSI-UHFFFAOYSA-N -1 3 350.342 0.611 20 50 FCGDHM CC[C@@H](C)[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825051901 609642383 /nfs/dbraw/zinc/64/23/83/609642383.db2.gz ULLPQBUUTIBLMZ-GHMZBOCLSA-N -1 3 374.401 0.853 20 50 FCGDHM CC[C@@H](C)[C@@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825051901 609642384 /nfs/dbraw/zinc/64/23/84/609642384.db2.gz ULLPQBUUTIBLMZ-GHMZBOCLSA-N -1 3 374.401 0.853 20 50 FCGDHM Cc1cccnc1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737433701 945065252 /nfs/dbraw/zinc/06/52/52/945065252.db2.gz HXURPRIIWDOAMC-UHFFFAOYSA-N -1 3 352.358 0.714 20 50 FCGDHM Cc1cccnc1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737433701 945065263 /nfs/dbraw/zinc/06/52/63/945065263.db2.gz HXURPRIIWDOAMC-UHFFFAOYSA-N -1 3 352.358 0.714 20 50 FCGDHM Cc1n[nH]cc1C(=O)NNC(=O)[C@@H](C)Oc1ccccc1-c1nnn[n-]1 ZINC000737451795 945071414 /nfs/dbraw/zinc/07/14/14/945071414.db2.gz BYKVWJWZAWUDEE-SECBINFHSA-N -1 3 356.346 0.127 20 50 FCGDHM Cc1nc(CCNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000737471581 945076057 /nfs/dbraw/zinc/07/60/57/945076057.db2.gz KMBAVCCUZHRGDQ-UHFFFAOYSA-N -1 3 372.414 0.818 20 50 FCGDHM Cc1nc(CCNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000737471581 945076067 /nfs/dbraw/zinc/07/60/67/945076067.db2.gz KMBAVCCUZHRGDQ-UHFFFAOYSA-N -1 3 372.414 0.818 20 50 FCGDHM Cc1nnc2ccc(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)cn12 ZINC000737534703 945091936 /nfs/dbraw/zinc/09/19/36/945091936.db2.gz UUWSOUIVVNBILH-UHFFFAOYSA-N -1 3 363.341 0.293 20 50 FCGDHM Cc1noc(Cl)c1CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737547396 945093111 /nfs/dbraw/zinc/09/31/11/945093111.db2.gz UNUKHPSBAQPSTP-UHFFFAOYSA-N -1 3 361.749 0.820 20 50 FCGDHM Cc1noc(Cl)c1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737547396 945093142 /nfs/dbraw/zinc/09/31/42/945093142.db2.gz UNUKHPSBAQPSTP-UHFFFAOYSA-N -1 3 361.749 0.820 20 50 FCGDHM O=C(C=CC1CCOCC1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737794666 945125697 /nfs/dbraw/zinc/12/56/97/945125697.db2.gz GGBFEXSJKBXHCH-BHQIHCQQSA-N -1 3 372.385 0.376 20 50 FCGDHM O=C(CNC(=O)CC1CCCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737815346 945130556 /nfs/dbraw/zinc/13/05/56/945130556.db2.gz ULGPYHALBAXQPO-UHFFFAOYSA-N -1 3 371.401 0.324 20 50 FCGDHM O=C(CNC(=O)CC1CCCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737815346 945130560 /nfs/dbraw/zinc/13/05/60/945130560.db2.gz ULGPYHALBAXQPO-UHFFFAOYSA-N -1 3 371.401 0.324 20 50 FCGDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NNC(=O)Cc1cccnc1 ZINC000737924787 945155422 /nfs/dbraw/zinc/15/54/22/945155422.db2.gz LHLBELAOUUCJIM-UHFFFAOYSA-N -1 3 353.342 0.031 20 50 FCGDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NNC(=O)Cc1cccnc1 ZINC000737924787 945155427 /nfs/dbraw/zinc/15/54/27/945155427.db2.gz LHLBELAOUUCJIM-UHFFFAOYSA-N -1 3 353.342 0.031 20 50 FCGDHM O=C(NCC[C@@H](O)C(F)(F)F)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738056881 945180774 /nfs/dbraw/zinc/18/07/74/945180774.db2.gz VWDKTVNQQDYAGQ-SECBINFHSA-N -1 3 373.295 0.124 20 50 FCGDHM O=C(NCC[C@@H](O)C(F)(F)F)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738056881 945180777 /nfs/dbraw/zinc/18/07/77/945180777.db2.gz VWDKTVNQQDYAGQ-SECBINFHSA-N -1 3 373.295 0.124 20 50 FCGDHM O=C(NNC(=S)NCCc1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000738134219 945217639 /nfs/dbraw/zinc/21/76/39/945217639.db2.gz GYAQMGUSEHASPN-UHFFFAOYSA-N -1 3 368.426 0.613 20 50 FCGDHM O=C(NNC(=S)NCCc1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000738134219 945217648 /nfs/dbraw/zinc/21/76/48/945217648.db2.gz GYAQMGUSEHASPN-UHFFFAOYSA-N -1 3 368.426 0.613 20 50 FCGDHM C#CCNC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000819701449 945272681 /nfs/dbraw/zinc/27/26/81/945272681.db2.gz HTOPTESRMAVCNA-NUBYWOLOSA-N -1 3 367.369 0.102 20 50 FCGDHM C#CCNC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000819701449 945272690 /nfs/dbraw/zinc/27/26/90/945272690.db2.gz HTOPTESRMAVCNA-NUBYWOLOSA-N -1 3 367.369 0.102 20 50 FCGDHM CC(=NNC(=O)CNC(=O)c1cccnc1)c1cccc(-c2nnn[n-]2)c1 ZINC000819773561 945286596 /nfs/dbraw/zinc/28/65/96/945286596.db2.gz UPFFRXGZMILJEL-UHFFFAOYSA-N -1 3 364.369 0.532 20 50 FCGDHM CC(=NNC(=O)CNC(=O)c1cccnc1)c1cccc(-c2nn[n-]n2)c1 ZINC000819773561 945286605 /nfs/dbraw/zinc/28/66/05/945286605.db2.gz UPFFRXGZMILJEL-UHFFFAOYSA-N -1 3 364.369 0.532 20 50 FCGDHM CC(C)(C)NC(=O)CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735623788 944681816 /nfs/dbraw/zinc/68/18/16/944681816.db2.gz RCQOVNBKDWOOOP-UHFFFAOYSA-N -1 3 374.405 0.116 20 50 FCGDHM CC(C)(C)NC(=O)CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735623788 944681819 /nfs/dbraw/zinc/68/18/19/944681819.db2.gz RCQOVNBKDWOOOP-UHFFFAOYSA-N -1 3 374.405 0.116 20 50 FCGDHM CC(C)CCC(=O)NNC(=O)NCCNc1ncccc1-c1nnn[n-]1 ZINC000735796312 944701953 /nfs/dbraw/zinc/70/19/53/944701953.db2.gz ZRKSCESWIBJUDE-UHFFFAOYSA-N -1 3 361.410 0.440 20 50 FCGDHM CC(C)CCC(=O)NNC(=O)NCCNc1ncccc1-c1nn[n-]n1 ZINC000735796312 944701957 /nfs/dbraw/zinc/70/19/57/944701957.db2.gz ZRKSCESWIBJUDE-UHFFFAOYSA-N -1 3 361.410 0.440 20 50 FCGDHM C[C@@H](Cn1ccnc1)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736094958 944738489 /nfs/dbraw/zinc/73/84/89/944738489.db2.gz BRTZZYXGDKNALZ-JTQLQIEISA-N -1 3 355.362 0.096 20 50 FCGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=S)NC(C)(C)C ZINC000736170479 944754044 /nfs/dbraw/zinc/75/40/44/944754044.db2.gz UZEXPJFJRQFQBW-SECBINFHSA-N -1 3 363.447 0.928 20 50 FCGDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNC(=O)Cc1ccccn1 ZINC000736184868 944755345 /nfs/dbraw/zinc/75/53/45/944755345.db2.gz ONEUEJULYNYKBW-LLVKDONJSA-N -1 3 367.369 0.419 20 50 FCGDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNC(=O)Cc1ccccn1 ZINC000736184868 944755351 /nfs/dbraw/zinc/75/53/51/944755351.db2.gz ONEUEJULYNYKBW-LLVKDONJSA-N -1 3 367.369 0.419 20 50 FCGDHM CC1(C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)[C@H]2CCO[C@H]21 ZINC000736206437 944762649 /nfs/dbraw/zinc/76/26/49/944762649.db2.gz OJOBZGIAZKXGPG-JHJVBQTASA-N -1 3 371.401 0.624 20 50 FCGDHM CC1(C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@H]2CCO[C@H]21 ZINC000736206437 944762660 /nfs/dbraw/zinc/76/26/60/944762660.db2.gz OJOBZGIAZKXGPG-JHJVBQTASA-N -1 3 371.401 0.624 20 50 FCGDHM CCC(=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cnn(C)c1 ZINC000736304963 944794137 /nfs/dbraw/zinc/79/41/37/944794137.db2.gz SHESTETUSBHOJW-UHFFFAOYSA-N -1 3 354.374 0.910 20 50 FCGDHM CC[C@@H]1CN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H](C)O1 ZINC000736412582 944815499 /nfs/dbraw/zinc/81/54/99/944815499.db2.gz VZIKMHDELKQPHM-ZWNOBZJWSA-N -1 3 359.390 0.720 20 50 FCGDHM CC[C@@H]1CN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H](C)O1 ZINC000736412582 944815507 /nfs/dbraw/zinc/81/55/07/944815507.db2.gz VZIKMHDELKQPHM-ZWNOBZJWSA-N -1 3 359.390 0.720 20 50 FCGDHM CCOC(=O)CCN(C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736592036 944852150 /nfs/dbraw/zinc/85/21/50/944852150.db2.gz KGBUKKNKWHJTJZ-MDWZMJQESA-N -1 3 371.401 0.832 20 50 FCGDHM CCOC(=O)CCN(C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736592036 944852157 /nfs/dbraw/zinc/85/21/57/944852157.db2.gz KGBUKKNKWHJTJZ-MDWZMJQESA-N -1 3 371.401 0.832 20 50 FCGDHM CCc1nc2n(n1)C[C@H](NC(=O)NNc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000736707220 944877480 /nfs/dbraw/zinc/87/74/80/944877480.db2.gz XADGXMQPNLNKRC-GFCCVEGCSA-N -1 3 368.405 0.662 20 50 FCGDHM CCc1nc2n(n1)C[C@H](NC(=O)NNc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000736707220 944877483 /nfs/dbraw/zinc/87/74/83/944877483.db2.gz XADGXMQPNLNKRC-GFCCVEGCSA-N -1 3 368.405 0.662 20 50 FCGDHM CN(Cc1cccnc1)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736827674 944895230 /nfs/dbraw/zinc/89/52/30/944895230.db2.gz ABUDRGQKFMPOSO-UHFFFAOYSA-N -1 3 352.358 0.748 20 50 FCGDHM CN(Cc1cccnc1)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736827674 944895237 /nfs/dbraw/zinc/89/52/37/944895237.db2.gz ABUDRGQKFMPOSO-UHFFFAOYSA-N -1 3 352.358 0.748 20 50 FCGDHM COc1c(C=NNC(=O)COc2ccccc2-c2nnn[n-]2)c(C)nn1C ZINC000737025042 944936119 /nfs/dbraw/zinc/93/61/19/944936119.db2.gz KTUPKVKVPYIVRD-UHFFFAOYSA-N -1 3 370.373 0.446 20 50 FCGDHM COc1c(C=NNC(=O)COc2ccccc2-c2nn[n-]n2)c(C)nn1C ZINC000737025042 944936129 /nfs/dbraw/zinc/93/61/29/944936129.db2.gz KTUPKVKVPYIVRD-UHFFFAOYSA-N -1 3 370.373 0.446 20 50 FCGDHM CSC[C@@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000737177016 944977231 /nfs/dbraw/zinc/97/72/31/944977231.db2.gz QHGFFFSAIQKKOK-SECBINFHSA-N -1 3 365.419 0.327 20 50 FCGDHM CSC[C@@H](C)NC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000737177016 944977234 /nfs/dbraw/zinc/97/72/34/944977234.db2.gz QHGFFFSAIQKKOK-SECBINFHSA-N -1 3 365.419 0.327 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)Cc2cnccn2)cc(-c2nnn[n-]2)n1C ZINC000737213298 945002046 /nfs/dbraw/zinc/00/20/46/945002046.db2.gz RNJRTCFCBFNSCK-AWNIVKPZSA-N -1 3 363.385 0.869 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)Cc2cnccn2)cc(-c2nn[n-]n2)n1C ZINC000737213298 945002054 /nfs/dbraw/zinc/00/20/54/945002054.db2.gz RNJRTCFCBFNSCK-AWNIVKPZSA-N -1 3 363.385 0.869 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)Nc2c[nH]ccc2=O)cc(-c2nnn[n-]2)n1C ZINC000737214036 945014194 /nfs/dbraw/zinc/01/41/94/945014194.db2.gz ZRCOCQQYRSPYIO-WZUFQYTHSA-N -1 3 350.342 0.748 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)Nc2c[nH]ccc2=O)cc(-c2nn[n-]n2)n1C ZINC000737214036 945014206 /nfs/dbraw/zinc/01/42/06/945014206.db2.gz ZRCOCQQYRSPYIO-WZUFQYTHSA-N -1 3 350.342 0.748 20 50 FCGDHM Cc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000737342052 945044935 /nfs/dbraw/zinc/04/49/35/945044935.db2.gz JLLLIZRSHIKGJB-UHFFFAOYSA-N -1 3 352.358 0.714 20 50 FCGDHM Cc1ccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000737342052 945044946 /nfs/dbraw/zinc/04/49/46/945044946.db2.gz JLLLIZRSHIKGJB-UHFFFAOYSA-N -1 3 352.358 0.714 20 50 FCGDHM Cc1ccc(NNC(=O)NCCNc2ncccc2-c2nnn[n-]2)nn1 ZINC000737361558 945047305 /nfs/dbraw/zinc/04/73/05/945047305.db2.gz JFIBLRCRFUGSTC-UHFFFAOYSA-N -1 3 355.366 0.098 20 50 FCGDHM Cc1ccc(NNC(=O)NCCNc2ncccc2-c2nn[n-]n2)nn1 ZINC000737361558 945047314 /nfs/dbraw/zinc/04/73/14/945047314.db2.gz JFIBLRCRFUGSTC-UHFFFAOYSA-N -1 3 355.366 0.098 20 50 FCGDHM C[C@@H](CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000820227082 945389183 /nfs/dbraw/zinc/38/91/83/945389183.db2.gz XUQAKMOIFPHPQE-JTQLQIEISA-N -1 3 372.385 0.607 20 50 FCGDHM C[C@@H](CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000820227082 945389188 /nfs/dbraw/zinc/38/91/88/945389188.db2.gz XUQAKMOIFPHPQE-JTQLQIEISA-N -1 3 372.385 0.607 20 50 FCGDHM CC1(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCOCC1 ZINC000820618466 945498320 /nfs/dbraw/zinc/49/83/20/945498320.db2.gz FLPBJDFELGHOKC-UHFFFAOYSA-N -1 3 359.390 0.627 20 50 FCGDHM CC1(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCOCC1 ZINC000820618466 945498326 /nfs/dbraw/zinc/49/83/26/945498326.db2.gz FLPBJDFELGHOKC-UHFFFAOYSA-N -1 3 359.390 0.627 20 50 FCGDHM C[C@@H]1CC[C@H](CCC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820690965 945530058 /nfs/dbraw/zinc/53/00/58/945530058.db2.gz URHADOYAYXAJLO-BXUZGUMPSA-N -1 3 374.401 0.741 20 50 FCGDHM CCc1c[nH]c(SCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821466436 945703136 /nfs/dbraw/zinc/70/31/36/945703136.db2.gz WREGBQDOJPIBKC-UHFFFAOYSA-N -1 3 372.414 0.706 20 50 FCGDHM CCc1c[nH]c(SCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821466436 945703142 /nfs/dbraw/zinc/70/31/42/945703142.db2.gz WREGBQDOJPIBKC-UHFFFAOYSA-N -1 3 372.414 0.706 20 50 FCGDHM CCn1cnnc1SCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821566508 945716618 /nfs/dbraw/zinc/71/66/18/945716618.db2.gz HQCSJHSRCSZPQO-UHFFFAOYSA-N -1 3 373.402 0.031 20 50 FCGDHM CCn1cnnc1SCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821566508 945716628 /nfs/dbraw/zinc/71/66/28/945716628.db2.gz HQCSJHSRCSZPQO-UHFFFAOYSA-N -1 3 373.402 0.031 20 50 FCGDHM CN(C)C(=O)c1ccc(C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)[nH]1 ZINC000821577891 945721652 /nfs/dbraw/zinc/72/16/52/945721652.db2.gz BTYAAVBSUGYBRL-UHFFFAOYSA-N -1 3 352.358 0.661 20 50 FCGDHM CN(C)C(=O)c1ccc(C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)[nH]1 ZINC000821577891 945721655 /nfs/dbraw/zinc/72/16/55/945721655.db2.gz BTYAAVBSUGYBRL-UHFFFAOYSA-N -1 3 352.358 0.661 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)Cc1ccco1 ZINC000821594117 945733280 /nfs/dbraw/zinc/73/32/80/945733280.db2.gz ZKVKEGDVXLWHSU-UHFFFAOYSA-N -1 3 355.358 0.353 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)Cc1ccco1 ZINC000821594117 945733285 /nfs/dbraw/zinc/73/32/85/945733285.db2.gz ZKVKEGDVXLWHSU-UHFFFAOYSA-N -1 3 355.358 0.353 20 50 FCGDHM COC(=O)C(C)(C)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821639123 945765337 /nfs/dbraw/zinc/76/53/37/945765337.db2.gz QGABCQUPRQSQPJ-UHFFFAOYSA-N -1 3 361.362 0.010 20 50 FCGDHM COC(=O)C(C)(C)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821639123 945765343 /nfs/dbraw/zinc/76/53/43/945765343.db2.gz QGABCQUPRQSQPJ-UHFFFAOYSA-N -1 3 361.362 0.010 20 50 FCGDHM COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821655969 945779251 /nfs/dbraw/zinc/77/92/51/945779251.db2.gz VBVIOXCJTZNZQF-STQMWFEESA-N -1 3 372.385 0.607 20 50 FCGDHM COC(=O)[C@H]1CCC[C@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821655969 945779257 /nfs/dbraw/zinc/77/92/57/945779257.db2.gz VBVIOXCJTZNZQF-STQMWFEESA-N -1 3 372.385 0.607 20 50 FCGDHM CS(=O)(=O)CC1(CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821926867 945906528 /nfs/dbraw/zinc/90/65/28/945906528.db2.gz NJFARGMFJRJWRV-UHFFFAOYSA-N -1 3 365.419 0.318 20 50 FCGDHM CS(=O)(=O)CC1(CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821926867 945906533 /nfs/dbraw/zinc/90/65/33/945906533.db2.gz NJFARGMFJRJWRV-UHFFFAOYSA-N -1 3 365.419 0.318 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)c2cnn(C)c2)cc(-c2nn[n-]n2)n1C ZINC000822028130 945938645 /nfs/dbraw/zinc/93/86/45/945938645.db2.gz LIYSRYCWAUUURB-LFYBBSHMSA-N -1 3 351.374 0.817 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)C(F)(F)F)cc(-c2nnn[n-]2)n1C ZINC000822028666 945946286 /nfs/dbraw/zinc/94/62/86/945946286.db2.gz RMDSTQKOYFDZNT-QSADENFPSA-N -1 3 369.307 0.460 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@H](O)C(F)(F)F)cc(-c2nn[n-]n2)n1C ZINC000822028666 945946295 /nfs/dbraw/zinc/94/62/95/945946295.db2.gz RMDSTQKOYFDZNT-QSADENFPSA-N -1 3 369.307 0.460 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCCN(C)C2=O)cc(-c2nnn[n-]2)n1C ZINC000822029403 945955510 /nfs/dbraw/zinc/95/55/10/945955510.db2.gz XXURZIFXRNUYEP-BWODNOAJSA-N -1 3 368.401 0.158 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCCN(C)C2=O)cc(-c2nn[n-]n2)n1C ZINC000822029403 945955519 /nfs/dbraw/zinc/95/55/19/945955519.db2.gz XXURZIFXRNUYEP-BWODNOAJSA-N -1 3 368.401 0.158 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000822645738 946144433 /nfs/dbraw/zinc/14/44/33/946144433.db2.gz MSWZQLGIMCYYTB-UHFFFAOYSA-N -1 3 356.302 0.188 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000822645738 946144437 /nfs/dbraw/zinc/14/44/37/946144437.db2.gz MSWZQLGIMCYYTB-UHFFFAOYSA-N -1 3 356.302 0.188 20 50 FCGDHM O=C(CN1CCCC1=O)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000822997996 946259460 /nfs/dbraw/zinc/25/94/60/946259460.db2.gz YLTMFITWQJIKKT-UHFFFAOYSA-N -1 3 353.386 0.646 20 50 FCGDHM O=C(CN1CCCC1=O)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000822997996 946259470 /nfs/dbraw/zinc/25/94/70/946259470.db2.gz YLTMFITWQJIKKT-UHFFFAOYSA-N -1 3 353.386 0.646 20 50 FCGDHM O=C(C=C1CCCC1)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018489 946274449 /nfs/dbraw/zinc/27/44/49/946274449.db2.gz PDFXJPZLKXTKNE-UHFFFAOYSA-N -1 3 370.369 0.671 20 50 FCGDHM O=C(C=C1CCCC1)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018489 946274459 /nfs/dbraw/zinc/27/44/59/946274459.db2.gz PDFXJPZLKXTKNE-UHFFFAOYSA-N -1 3 370.369 0.671 20 50 FCGDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NNC(=S)Nc1ccccn1 ZINC000823043837 946291338 /nfs/dbraw/zinc/29/13/38/946291338.db2.gz JVNBDVTWAWQDBO-UHFFFAOYSA-N -1 3 370.398 0.658 20 50 FCGDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NNC(=S)Nc1ccccn1 ZINC000823043837 946291345 /nfs/dbraw/zinc/29/13/45/946291345.db2.gz JVNBDVTWAWQDBO-UHFFFAOYSA-N -1 3 370.398 0.658 20 50 FCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NN=Cc1cn2cccnc2n1 ZINC000823049925 946296237 /nfs/dbraw/zinc/29/62/37/946296237.db2.gz MUENCJOHYCSMFE-UHFFFAOYSA-N -1 3 363.341 0.439 20 50 FCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NN=Cc1cn2cccnc2n1 ZINC000823049925 946296244 /nfs/dbraw/zinc/29/62/44/946296244.db2.gz MUENCJOHYCSMFE-UHFFFAOYSA-N -1 3 363.341 0.439 20 50 FCGDHM O=C(NCCOc1ccc(-c2nn[n-]n2)cc1)NNC(=O)c1ccc[nH]1 ZINC000823215706 946346916 /nfs/dbraw/zinc/34/69/16/946346916.db2.gz QJTGUFFIEJEJBS-UHFFFAOYSA-N -1 3 356.346 0.218 20 50 FCGDHM O=C(NNC(=O)[C@H]1CCc2c[nH]nc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000823272933 946370483 /nfs/dbraw/zinc/37/04/83/946370483.db2.gz AAFIYDNNYFEXAF-NSHDSACASA-N -1 3 352.358 0.156 20 50 FCGDHM CC(C)N(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)CC(F)F ZINC000824288492 946644728 /nfs/dbraw/zinc/64/47/28/946644728.db2.gz IIZHCWLKFYCWPQ-UHFFFAOYSA-N -1 3 367.360 0.603 20 50 FCGDHM CC(C)N(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)CC(F)F ZINC000824288492 946644733 /nfs/dbraw/zinc/64/47/33/946644733.db2.gz IIZHCWLKFYCWPQ-UHFFFAOYSA-N -1 3 367.360 0.603 20 50 FCGDHM C=C[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC001573351144 947609887 /nfs/dbraw/zinc/60/98/87/947609887.db2.gz LDVBFBILDYYCBK-STQMWFEESA-N -1 3 357.374 0.402 20 50 FCGDHM C=C[C@@H]1OCC[C@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC001573351144 947609890 /nfs/dbraw/zinc/60/98/90/947609890.db2.gz LDVBFBILDYYCBK-STQMWFEESA-N -1 3 357.374 0.402 20 50 FCGDHM Cc1cc(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)ccc1O ZINC000826260018 947749626 /nfs/dbraw/zinc/74/96/26/947749626.db2.gz RHTSUSXXJNYKMO-UHFFFAOYSA-N -1 3 368.353 0.721 20 50 FCGDHM CN(C)CCN1C[C@H](C(=O)NNc2ccc(C(=O)[O-])c(F)c2)CC1=O ZINC001598231129 990938324 /nfs/dbraw/zinc/93/83/24/990938324.db2.gz MWNZDIMGPUINHL-SNVBAGLBSA-N -1 3 352.366 0.377 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000826446214 607343371 /nfs/dbraw/zinc/34/33/71/607343371.db2.gz DFCVTIONYDJHAG-VHSXEESVSA-N -1 3 369.307 0.767 20 50 FCGDHM O=CNc1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000823551263 599700289 /nfs/dbraw/zinc/70/02/89/599700289.db2.gz LCNYUPCMJBTBDS-UHFFFAOYSA-N -1 3 351.326 0.510 20 50 FCGDHM O=CNc1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000823551263 599700290 /nfs/dbraw/zinc/70/02/90/599700290.db2.gz LCNYUPCMJBTBDS-UHFFFAOYSA-N -1 3 351.326 0.510 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)c1cc2occc2[nH]1 ZINC000826417193 607569899 /nfs/dbraw/zinc/56/98/99/607569899.db2.gz HPFAULRZINUPFK-UHFFFAOYSA-N -1 3 367.325 0.781 20 50 FCGDHM O=C(CSc1nnnn1C1CC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826421581 607715854 /nfs/dbraw/zinc/71/58/54/607715854.db2.gz OMGMPIZAQASJLQ-UHFFFAOYSA-N -1 3 358.391 0.424 20 50 FCGDHM O=C(CSc1nnnn1C1CC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826421581 607715856 /nfs/dbraw/zinc/71/58/56/607715856.db2.gz OMGMPIZAQASJLQ-UHFFFAOYSA-N -1 3 358.391 0.424 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1sccc1-n1cnnn1 ZINC000826449468 607718541 /nfs/dbraw/zinc/71/85/41/607718541.db2.gz UTAWNOAAEWLIDT-UHFFFAOYSA-N -1 3 354.359 0.661 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1sccc1-n1cnnn1 ZINC000826449468 607718543 /nfs/dbraw/zinc/71/85/43/607718543.db2.gz UTAWNOAAEWLIDT-UHFFFAOYSA-N -1 3 354.359 0.661 20 50 FCGDHM CNS(=O)(=O)c1cccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826090975 607723889 /nfs/dbraw/zinc/72/38/89/607723889.db2.gz STNBKAMZKUPXLE-UHFFFAOYSA-N -1 3 373.398 0.532 20 50 FCGDHM CNS(=O)(=O)c1cccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826090975 607723890 /nfs/dbraw/zinc/72/38/90/607723890.db2.gz STNBKAMZKUPXLE-UHFFFAOYSA-N -1 3 373.398 0.532 20 50 FCGDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826424350 607724711 /nfs/dbraw/zinc/72/47/11/607724711.db2.gz IGONQVNRYKPILI-UHFFFAOYSA-N -1 3 356.302 0.080 20 50 FCGDHM O=C(Cn1cc([N+](=O)[O-])ccc1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826424350 607724713 /nfs/dbraw/zinc/72/47/13/607724713.db2.gz IGONQVNRYKPILI-UHFFFAOYSA-N -1 3 356.302 0.080 20 50 FCGDHM O=C(CS[C@@H]1CCS(=O)(=O)C1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826419819 607724725 /nfs/dbraw/zinc/72/47/25/607724725.db2.gz NFZRJUFHVBKRAZ-LLVKDONJSA-N -1 3 368.444 0.230 20 50 FCGDHM O=C(CS[C@@H]1CCS(=O)(=O)C1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826419819 607724727 /nfs/dbraw/zinc/72/47/27/607724727.db2.gz NFZRJUFHVBKRAZ-LLVKDONJSA-N -1 3 368.444 0.230 20 50 FCGDHM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824071804 607727227 /nfs/dbraw/zinc/72/72/27/607727227.db2.gz NSOGXYQMJZYRBO-NSHDSACASA-N -1 3 367.435 0.274 20 50 FCGDHM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824071804 607727228 /nfs/dbraw/zinc/72/72/28/607727228.db2.gz NSOGXYQMJZYRBO-NSHDSACASA-N -1 3 367.435 0.274 20 50 FCGDHM CCCC1N=NC(=S)N1CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825352427 607733272 /nfs/dbraw/zinc/73/32/72/607733272.db2.gz NDBXFFNHDTWZJA-UHFFFAOYSA-N -1 3 359.419 0.843 20 50 FCGDHM CCCC1N=NC(=S)N1CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825352427 607733274 /nfs/dbraw/zinc/73/32/74/607733274.db2.gz NDBXFFNHDTWZJA-UHFFFAOYSA-N -1 3 359.419 0.843 20 50 FCGDHM CS[C@H](C)CNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826226025 607782648 /nfs/dbraw/zinc/78/26/48/607782648.db2.gz QIKLMFZQLOXOPG-SECBINFHSA-N -1 3 365.419 0.327 20 50 FCGDHM CN(CCc1nccs1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000825950732 607793295 /nfs/dbraw/zinc/79/32/95/607793295.db2.gz SNRZHJMEUUCQKK-UHFFFAOYSA-N -1 3 372.414 0.852 20 50 FCGDHM CN(CCc1nccs1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000825950732 607793296 /nfs/dbraw/zinc/79/32/96/607793296.db2.gz SNRZHJMEUUCQKK-UHFFFAOYSA-N -1 3 372.414 0.852 20 50 FCGDHM Cc1ccc(CC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826286802 607813309 /nfs/dbraw/zinc/81/33/09/607813309.db2.gz QOJVKVUZWUSSIL-UHFFFAOYSA-N -1 3 356.342 0.537 20 50 FCGDHM O=C(C=C1CC(=O)NC(=S)N1)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826421307 607885606 /nfs/dbraw/zinc/88/56/06/607885606.db2.gz BEZXZMAXCQAFDT-UHFFFAOYSA-N -1 3 356.371 0.344 20 50 FCGDHM O=C(C=C1CC(=O)NC(=S)N1)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826421307 607885607 /nfs/dbraw/zinc/88/56/07/607885607.db2.gz BEZXZMAXCQAFDT-UHFFFAOYSA-N -1 3 356.371 0.344 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CCO)C2CC2)cc(-c2nnn[n-]2)n1C ZINC000826235779 607940939 /nfs/dbraw/zinc/94/09/39/607940939.db2.gz QUCSIWXXSNGOKQ-WTWVRAIASA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CCO)C2CC2)cc(-c2nn[n-]n2)n1C ZINC000826235779 607940940 /nfs/dbraw/zinc/94/09/40/607940940.db2.gz QUCSIWXXSNGOKQ-WTWVRAIASA-N -1 3 355.402 0.698 20 50 FCGDHM CCC[C@H](NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)C(=O)OC ZINC000825241948 608334024 /nfs/dbraw/zinc/33/40/24/608334024.db2.gz FGUHAQGLKUMLBK-WHGQRRHOSA-N -1 3 371.401 0.879 20 50 FCGDHM CCC[C@H](NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C(=O)OC ZINC000825241948 608334026 /nfs/dbraw/zinc/33/40/26/608334026.db2.gz FGUHAQGLKUMLBK-WHGQRRHOSA-N -1 3 371.401 0.879 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CO)CC(C)C)cc(-c2nnn[n-]2)n1C ZINC000826235552 608472527 /nfs/dbraw/zinc/47/25/27/608472527.db2.gz LSDJNFKUBZPHLQ-YGLIYXGISA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CO)CC(C)C)cc(-c2nn[n-]n2)n1C ZINC000826235552 608472528 /nfs/dbraw/zinc/47/25/28/608472528.db2.gz LSDJNFKUBZPHLQ-YGLIYXGISA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCc2cnccn2)cc(-c2nnn[n-]2)n1C ZINC000826235704 608566775 /nfs/dbraw/zinc/56/67/75/608566775.db2.gz PHCFGNOWZUQPAX-NTUHNPAUSA-N -1 3 363.385 0.570 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCc2cnccn2)cc(-c2nn[n-]n2)n1C ZINC000826235704 608566776 /nfs/dbraw/zinc/56/67/76/608566776.db2.gz PHCFGNOWZUQPAX-NTUHNPAUSA-N -1 3 363.385 0.570 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCc2cnccn2)cc(-c2nnn[n-]2)n1C ZINC000826235705 608567101 /nfs/dbraw/zinc/56/71/01/608567101.db2.gz PHCFGNOWZUQPAX-QPEQYQDCSA-N -1 3 363.385 0.570 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCc2cnccn2)cc(-c2nn[n-]n2)n1C ZINC000826235705 608567103 /nfs/dbraw/zinc/56/71/03/608567103.db2.gz PHCFGNOWZUQPAX-QPEQYQDCSA-N -1 3 363.385 0.570 20 50 FCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@@H]1CCO[C@H]1C ZINC000824739349 608882594 /nfs/dbraw/zinc/88/25/94/608882594.db2.gz WHCVDBPAKBNCIK-OUJBWJOFSA-N -1 3 360.374 0.206 20 50 FCGDHM Cc1nnc2n1C[C@H](NC(=O)NNc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000826337752 609182044 /nfs/dbraw/zinc/18/20/44/609182044.db2.gz ZZOIPBYFAIAWJA-GFCCVEGCSA-N -1 3 354.378 0.408 20 50 FCGDHM Cc1nnc2n1C[C@H](NC(=O)NNc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000826337752 609182046 /nfs/dbraw/zinc/18/20/46/609182046.db2.gz ZZOIPBYFAIAWJA-GFCCVEGCSA-N -1 3 354.378 0.408 20 50 FCGDHM Cc1ccccc1C(=O)NNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826305736 609185259 /nfs/dbraw/zinc/18/52/59/609185259.db2.gz HHLPYSXBCJSFIG-CQSZACIVSA-N -1 3 352.354 0.670 20 50 FCGDHM Cc1ccccc1C(=O)NNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826305736 609185261 /nfs/dbraw/zinc/18/52/61/609185261.db2.gz HHLPYSXBCJSFIG-CQSZACIVSA-N -1 3 352.354 0.670 20 50 FCGDHM CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948168 609274659 /nfs/dbraw/zinc/27/46/59/609274659.db2.gz FGJIJDGMYXDNLZ-SNVBAGLBSA-N -1 3 366.378 0.281 20 50 FCGDHM CC(=NNC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948168 609274657 /nfs/dbraw/zinc/27/46/57/609274657.db2.gz FGJIJDGMYXDNLZ-SNVBAGLBSA-N -1 3 366.378 0.281 20 50 FCGDHM Cc1nc(CN(C)C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)no1 ZINC000826325860 609297124 /nfs/dbraw/zinc/29/71/24/609297124.db2.gz OJVZQNMVSZNJAE-XGICHPGQSA-N -1 3 367.373 0.771 20 50 FCGDHM Cc1nc(CN(C)C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)no1 ZINC000826325860 609297126 /nfs/dbraw/zinc/29/71/26/609297126.db2.gz OJVZQNMVSZNJAE-XGICHPGQSA-N -1 3 367.373 0.771 20 50 FCGDHM O=C(CSc1cccnn1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826420761 609310631 /nfs/dbraw/zinc/31/06/31/609310631.db2.gz AXTDCUDHUXZFQN-UHFFFAOYSA-N -1 3 356.371 0.210 20 50 FCGDHM O=C(CSc1cccnn1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826420761 609310632 /nfs/dbraw/zinc/31/06/32/609310632.db2.gz AXTDCUDHUXZFQN-UHFFFAOYSA-N -1 3 356.371 0.210 20 50 FCGDHM C[C@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@H]1F ZINC000824953921 609373919 /nfs/dbraw/zinc/37/39/19/609373919.db2.gz IASLGSLCDDPSSQ-GXFFZTMASA-N -1 3 361.381 0.308 20 50 FCGDHM C[C@H]1CCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@H]1F ZINC000824953921 609373920 /nfs/dbraw/zinc/37/39/20/609373920.db2.gz IASLGSLCDDPSSQ-GXFFZTMASA-N -1 3 361.381 0.308 20 50 FCGDHM CN(NC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1)C(N)=O ZINC000826004211 609394735 /nfs/dbraw/zinc/39/47/35/609394735.db2.gz NTGKCDPRRJZAJH-UHFFFAOYSA-N -1 3 354.330 0.709 20 50 FCGDHM CN(NC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1)C(N)=O ZINC000826004211 609394737 /nfs/dbraw/zinc/39/47/37/609394737.db2.gz NTGKCDPRRJZAJH-UHFFFAOYSA-N -1 3 354.330 0.709 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)c2ncon2)cc(-c2nnn[n-]2)n1C ZINC000826235401 609395803 /nfs/dbraw/zinc/39/58/03/609395803.db2.gz JIZPUFUODONXLQ-HCNJTKSQSA-N -1 3 353.346 0.681 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)c2ncon2)cc(-c2nn[n-]n2)n1C ZINC000826235401 609395805 /nfs/dbraw/zinc/39/58/05/609395805.db2.gz JIZPUFUODONXLQ-HCNJTKSQSA-N -1 3 353.346 0.681 20 50 FCGDHM O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826444969 609421822 /nfs/dbraw/zinc/42/18/22/609421822.db2.gz BCASXTQIGYJWJE-UHFFFAOYSA-N -1 3 355.314 0.041 20 50 FCGDHM O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826444969 609421825 /nfs/dbraw/zinc/42/18/25/609421825.db2.gz BCASXTQIGYJWJE-UHFFFAOYSA-N -1 3 355.314 0.041 20 50 FCGDHM NC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826388865 609506753 /nfs/dbraw/zinc/50/67/53/609506753.db2.gz KPSACWAYQOUKNB-CQSZACIVSA-N -1 3 369.360 0.337 20 50 FCGDHM NC(=O)[C@@H](Cc1ccc(F)cc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826388865 609506754 /nfs/dbraw/zinc/50/67/54/609506754.db2.gz KPSACWAYQOUKNB-CQSZACIVSA-N -1 3 369.360 0.337 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)[C@H]1CCCOC1 ZINC000824500399 609597599 /nfs/dbraw/zinc/59/75/99/609597599.db2.gz WMHGPZDADPDQLQ-GWCFXTLKSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@H](NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)[C@H]1CCCOC1 ZINC000824500399 609597601 /nfs/dbraw/zinc/59/76/01/609597601.db2.gz WMHGPZDADPDQLQ-GWCFXTLKSA-N -1 3 359.390 0.626 20 50 FCGDHM O=C(CCCn1ccccc1=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737835021 945134470 /nfs/dbraw/zinc/13/44/70/945134470.db2.gz DOAAOWDUIYWWSQ-UHFFFAOYSA-N -1 3 367.369 0.270 20 50 FCGDHM O=C(CCCn1ccccc1=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737835021 945134475 /nfs/dbraw/zinc/13/44/75/945134475.db2.gz DOAAOWDUIYWWSQ-UHFFFAOYSA-N -1 3 367.369 0.270 20 50 FCGDHM O=C(CNC(=O)c1ccsc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737891371 945147322 /nfs/dbraw/zinc/14/73/22/945147322.db2.gz KERXUQSJEPTAAW-UHFFFAOYSA-N -1 3 371.382 0.119 20 50 FCGDHM O=C(CNC(=O)c1ccsc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737891371 945147330 /nfs/dbraw/zinc/14/73/30/945147330.db2.gz KERXUQSJEPTAAW-UHFFFAOYSA-N -1 3 371.382 0.119 20 50 FCGDHM O=C(COc1ccccc1O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737930231 945157767 /nfs/dbraw/zinc/15/77/67/945157767.db2.gz OFVAKCVMKOBYKK-UHFFFAOYSA-N -1 3 354.326 0.412 20 50 FCGDHM O=C(COc1ccccc1O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737930231 945157773 /nfs/dbraw/zinc/15/77/73/945157773.db2.gz OFVAKCVMKOBYKK-UHFFFAOYSA-N -1 3 354.326 0.412 20 50 FCGDHM O=C(Cc1cccnc1)NNC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000737974272 945168867 /nfs/dbraw/zinc/16/88/67/945168867.db2.gz LQOOTZISLQFKOX-UHFFFAOYSA-N -1 3 352.358 0.335 20 50 FCGDHM O=C(Cc1cccnc1)NNC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000737974272 945168868 /nfs/dbraw/zinc/16/88/68/945168868.db2.gz LQOOTZISLQFKOX-UHFFFAOYSA-N -1 3 352.358 0.335 20 50 FCGDHM O=C(NC[C@H](O)C1CCCCC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738040050 945174938 /nfs/dbraw/zinc/17/49/38/945174938.db2.gz OSMRAPZWHYXWEO-AWEZNQCLSA-N -1 3 373.417 0.752 20 50 FCGDHM O=C(NC[C@H](O)C1CCCCC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738040050 945174941 /nfs/dbraw/zinc/17/49/41/945174941.db2.gz OSMRAPZWHYXWEO-AWEZNQCLSA-N -1 3 373.417 0.752 20 50 FCGDHM O=C(NCCc1cccc(O)c1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738089224 945185780 /nfs/dbraw/zinc/18/57/80/945185780.db2.gz VWNGIFUPRITQHD-UHFFFAOYSA-N -1 3 367.369 0.759 20 50 FCGDHM O=C(NCCc1cccc(O)c1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738089224 945185783 /nfs/dbraw/zinc/18/57/83/945185783.db2.gz VWNGIFUPRITQHD-UHFFFAOYSA-N -1 3 367.369 0.759 20 50 FCGDHM O=C(NNC(=O)c1ccccc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738134807 945222750 /nfs/dbraw/zinc/22/27/50/945222750.db2.gz UEIRKYWEUALLMG-UHFFFAOYSA-N -1 3 366.341 0.156 20 50 FCGDHM O=C(NN=c1nccc[nH]1)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000738137548 945243991 /nfs/dbraw/zinc/24/39/91/945243991.db2.gz PQYUOXKIUADOMX-CYBMUJFWSA-N -1 3 351.374 0.769 20 50 FCGDHM CC(C)[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820015741 945329770 /nfs/dbraw/zinc/32/97/70/945329770.db2.gz GHYXTDWATNPMPZ-JTQLQIEISA-N -1 3 360.374 0.463 20 50 FCGDHM CC(C)[C@H](C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820015741 945329777 /nfs/dbraw/zinc/32/97/77/945329777.db2.gz GHYXTDWATNPMPZ-JTQLQIEISA-N -1 3 360.374 0.463 20 50 FCGDHM CC(C)[C@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820046824 945337301 /nfs/dbraw/zinc/33/73/01/945337301.db2.gz UZUHUJXZVQGNKT-ZIAGYGMSSA-N -1 3 373.417 0.872 20 50 FCGDHM CC(C)[C@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820046824 945337308 /nfs/dbraw/zinc/33/73/08/945337308.db2.gz UZUHUJXZVQGNKT-ZIAGYGMSSA-N -1 3 373.417 0.872 20 50 FCGDHM C#CCN1CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CC1 ZINC000735380792 944643443 /nfs/dbraw/zinc/64/34/43/944643443.db2.gz JECIDOYTJMENKQ-XNTDXEJSSA-N -1 3 364.413 0.198 20 50 FCGDHM C#CCN1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CC1 ZINC000735380792 944643447 /nfs/dbraw/zinc/64/34/47/944643447.db2.gz JECIDOYTJMENKQ-XNTDXEJSSA-N -1 3 364.413 0.198 20 50 FCGDHM CC(=O)NC1CCC(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000735475023 944664390 /nfs/dbraw/zinc/66/43/90/944664390.db2.gz NKUPPNANKOAGDF-UHFFFAOYSA-N -1 3 358.406 0.940 20 50 FCGDHM CC(=O)NC1CCC(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735475023 944664397 /nfs/dbraw/zinc/66/43/97/944664397.db2.gz NKUPPNANKOAGDF-UHFFFAOYSA-N -1 3 358.406 0.940 20 50 FCGDHM CC(C)CCC(=O)NNC(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735794729 944701717 /nfs/dbraw/zinc/70/17/17/944701717.db2.gz CJXQABNVBVZHRR-UHFFFAOYSA-N -1 3 359.390 0.180 20 50 FCGDHM CC(C)CCC(=O)NNC(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735794729 944701721 /nfs/dbraw/zinc/70/17/21/944701721.db2.gz CJXQABNVBVZHRR-UHFFFAOYSA-N -1 3 359.390 0.180 20 50 FCGDHM C[C@@H](Cn1cccn1)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736076832 944738146 /nfs/dbraw/zinc/73/81/46/944738146.db2.gz DACNSUFBIGLDHD-JTQLQIEISA-N -1 3 355.362 0.096 20 50 FCGDHM C[C@@H](Cn1cccn1)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736076832 944738153 /nfs/dbraw/zinc/73/81/53/944738153.db2.gz DACNSUFBIGLDHD-JTQLQIEISA-N -1 3 355.362 0.096 20 50 FCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@H]1CCCOC1 ZINC000736169401 944751726 /nfs/dbraw/zinc/75/17/26/944751726.db2.gz NESSREZUOCXZPQ-JQWIXIFHSA-N -1 3 360.374 0.208 20 50 FCGDHM CCC(=NNC(=O)COc1ccccc1-c1nnn[n-]1)c1cnn(C)c1 ZINC000736301819 944792168 /nfs/dbraw/zinc/79/21/68/944792168.db2.gz BWUYDMACUSRREW-UHFFFAOYSA-N -1 3 354.374 0.910 20 50 FCGDHM CCC(=NNC(=O)COc1ccccc1-c1nn[n-]n1)c1cnn(C)c1 ZINC000736301819 944792174 /nfs/dbraw/zinc/79/21/74/944792174.db2.gz BWUYDMACUSRREW-UHFFFAOYSA-N -1 3 354.374 0.910 20 50 FCGDHM CCCCOC(=O)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736461435 944827970 /nfs/dbraw/zinc/82/79/70/944827970.db2.gz PORIVDOPXCTHGD-QPEQYQDCSA-N -1 3 371.401 0.880 20 50 FCGDHM CCCCOC(=O)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736461435 944827977 /nfs/dbraw/zinc/82/79/77/944827977.db2.gz PORIVDOPXCTHGD-QPEQYQDCSA-N -1 3 371.401 0.880 20 50 FCGDHM CCCNC(=O)CCCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736484104 944832872 /nfs/dbraw/zinc/83/28/72/944832872.db2.gz UGOHFIZZBJNSLB-UHFFFAOYSA-N -1 3 359.390 0.324 20 50 FCGDHM CCCNC(=O)CCCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736484104 944832878 /nfs/dbraw/zinc/83/28/78/944832878.db2.gz UGOHFIZZBJNSLB-UHFFFAOYSA-N -1 3 359.390 0.324 20 50 FCGDHM CCCOC(=O)CCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736488965 944832973 /nfs/dbraw/zinc/83/29/73/944832973.db2.gz WGDBUXYOZYYRFI-MDWZMJQESA-N -1 3 371.401 0.880 20 50 FCGDHM CCCOC(=O)CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736488965 944832980 /nfs/dbraw/zinc/83/29/80/944832980.db2.gz WGDBUXYOZYYRFI-MDWZMJQESA-N -1 3 371.401 0.880 20 50 FCGDHM CCCNC(=O)NNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000736487512 944833774 /nfs/dbraw/zinc/83/37/74/944833774.db2.gz IYPIAGVZCGZMTB-ZDUSSCGKSA-N -1 3 358.406 0.576 20 50 FCGDHM CN(C)[C@@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736753402 944883073 /nfs/dbraw/zinc/88/30/73/944883073.db2.gz JMTLKFMZMURKQA-OAHLLOKOSA-N -1 3 365.397 0.931 20 50 FCGDHM CN(C)[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736753402 944883080 /nfs/dbraw/zinc/88/30/80/944883080.db2.gz JMTLKFMZMURKQA-OAHLLOKOSA-N -1 3 365.397 0.931 20 50 FCGDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NNC(=O)Cc1cccnc1 ZINC000736817674 944896723 /nfs/dbraw/zinc/89/67/23/944896723.db2.gz FRIVFLVRUDJTEB-UHFFFAOYSA-N -1 3 366.385 0.677 20 50 FCGDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)Cc1cccnc1 ZINC000736817674 944896728 /nfs/dbraw/zinc/89/67/28/944896728.db2.gz FRIVFLVRUDJTEB-UHFFFAOYSA-N -1 3 366.385 0.677 20 50 FCGDHM COc1ccccc1C(=O)NN[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737137683 944966571 /nfs/dbraw/zinc/96/65/71/944966571.db2.gz ICIZSDOQBMVJTB-AWEZNQCLSA-N -1 3 367.369 0.336 20 50 FCGDHM COc1ccccc1C(=O)NN[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737137683 944966576 /nfs/dbraw/zinc/96/65/76/944966576.db2.gz ICIZSDOQBMVJTB-AWEZNQCLSA-N -1 3 367.369 0.336 20 50 FCGDHM C[S@](=O)c1ccc(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737171986 944974292 /nfs/dbraw/zinc/97/42/92/944974292.db2.gz QSIXTMMZTJGNSB-SANMLTNESA-N -1 3 370.394 0.679 20 50 FCGDHM C[S@](=O)c1ccc(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737171986 944974297 /nfs/dbraw/zinc/97/42/97/944974297.db2.gz QSIXTMMZTJGNSB-SANMLTNESA-N -1 3 370.394 0.679 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CC(n3cccn3)C2)cc(-c2nn[n-]n2)n1C ZINC000737211167 944985246 /nfs/dbraw/zinc/98/52/46/944985246.db2.gz BACLEIMJYGBTNV-AWNIVKPZSA-N -1 3 363.385 0.701 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCOCC2CC2)cc(-c2nnn[n-]2)n1C ZINC000737212340 944990428 /nfs/dbraw/zinc/99/04/28/944990428.db2.gz ICTMMIMXTKRJGU-VGOFMYFVSA-N -1 3 355.402 0.963 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCOCC2CC2)cc(-c2nn[n-]n2)n1C ZINC000737212340 944990431 /nfs/dbraw/zinc/99/04/31/944990431.db2.gz ICTMMIMXTKRJGU-VGOFMYFVSA-N -1 3 355.402 0.963 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)Cc2cn[nH]c2)cc(-c2nnn[n-]2)n1C ZINC000737213800 945009511 /nfs/dbraw/zinc/00/95/11/945009511.db2.gz XGPFSNBTBXRXCP-YIXHJXPBSA-N -1 3 351.374 0.802 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)Cc2cn[nH]c2)cc(-c2nn[n-]n2)n1C ZINC000737213800 945009526 /nfs/dbraw/zinc/00/95/26/945009526.db2.gz XGPFSNBTBXRXCP-YIXHJXPBSA-N -1 3 351.374 0.802 20 50 FCGDHM C[C@@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820233853 945391434 /nfs/dbraw/zinc/39/14/34/945391434.db2.gz LTROZDOHBOSGQH-QWRGUYRKSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@@H](C[C@@H]1CCOC1)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820233853 945391444 /nfs/dbraw/zinc/39/14/44/945391444.db2.gz LTROZDOHBOSGQH-QWRGUYRKSA-N -1 3 359.390 0.626 20 50 FCGDHM CC=CC=CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820832222 945566261 /nfs/dbraw/zinc/56/62/61/945566261.db2.gz IGSKUYZWRQWYKD-MQQKCMAXSA-N -1 3 356.342 0.303 20 50 FCGDHM CC=CC=CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820832222 945566264 /nfs/dbraw/zinc/56/62/64/945566264.db2.gz IGSKUYZWRQWYKD-MQQKCMAXSA-N -1 3 356.342 0.303 20 50 FCGDHM CCCN(CCC)S(=O)(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821099926 945636165 /nfs/dbraw/zinc/63/61/65/945636165.db2.gz QSHXDVXVMONBMS-UHFFFAOYSA-N -1 3 367.435 0.468 20 50 FCGDHM CCCN(CCC)S(=O)(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821099926 945636171 /nfs/dbraw/zinc/63/61/71/945636171.db2.gz QSHXDVXVMONBMS-UHFFFAOYSA-N -1 3 367.435 0.468 20 50 FCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)Cc1ccco1 ZINC000821593949 945732759 /nfs/dbraw/zinc/73/27/59/945732759.db2.gz RHGGSDXUWRIFGH-UHFFFAOYSA-N -1 3 355.358 0.353 20 50 FCGDHM CN(CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)Cc1ccco1 ZINC000821593949 945732767 /nfs/dbraw/zinc/73/27/67/945732767.db2.gz RHGGSDXUWRIFGH-UHFFFAOYSA-N -1 3 355.358 0.353 20 50 FCGDHM CN1CCO[C@@H](C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000821628227 945756278 /nfs/dbraw/zinc/75/62/78/945756278.db2.gz CTKSGSJOILAYHH-LLVKDONJSA-N -1 3 371.323 0.659 20 50 FCGDHM CN1CCO[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000821628227 945756284 /nfs/dbraw/zinc/75/62/84/945756284.db2.gz CTKSGSJOILAYHH-LLVKDONJSA-N -1 3 371.323 0.659 20 50 FCGDHM CN1CCO[C@H](C(=O)NNc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C1 ZINC000821628228 945756405 /nfs/dbraw/zinc/75/64/05/945756405.db2.gz CTKSGSJOILAYHH-NSHDSACASA-N -1 3 371.323 0.659 20 50 FCGDHM CN1CCO[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)C1 ZINC000821628228 945756410 /nfs/dbraw/zinc/75/64/10/945756410.db2.gz CTKSGSJOILAYHH-NSHDSACASA-N -1 3 371.323 0.659 20 50 FCGDHM CNC(=O)[C@@H](NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)C(C)C ZINC000821631608 945761496 /nfs/dbraw/zinc/76/14/96/945761496.db2.gz NIJXUNKPQHDHJQ-CYIWUNGXSA-N -1 3 370.417 0.307 20 50 FCGDHM CNC(=O)[C@@H](NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)C(C)C ZINC000821631608 945761500 /nfs/dbraw/zinc/76/15/00/945761500.db2.gz NIJXUNKPQHDHJQ-CYIWUNGXSA-N -1 3 370.417 0.307 20 50 FCGDHM COC(=O)[C@@H](NNC(=O)c1ccccn1)c1cccc(-c2nnn[n-]2)c1 ZINC000821645155 945769182 /nfs/dbraw/zinc/76/91/82/945769182.db2.gz SFNNUQGGPVTSOO-ZDUSSCGKSA-N -1 3 353.342 0.410 20 50 FCGDHM COC(=O)[C@@H](NNC(=O)c1ccccn1)c1cccc(-c2nn[n-]n2)c1 ZINC000821645155 945769186 /nfs/dbraw/zinc/76/91/86/945769186.db2.gz SFNNUQGGPVTSOO-ZDUSSCGKSA-N -1 3 353.342 0.410 20 50 FCGDHM CS/C=C/C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821956609 945910494 /nfs/dbraw/zinc/91/04/94/945910494.db2.gz SPWABTXUTAPCGF-VOTSOKGWSA-N -1 3 362.371 0.048 20 50 FCGDHM CS/C=C/C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821956609 945910505 /nfs/dbraw/zinc/91/05/05/945910505.db2.gz SPWABTXUTAPCGF-VOTSOKGWSA-N -1 3 362.371 0.048 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@@H](O)C2CC2)cc(-c2nnn[n-]2)n1C ZINC000822020644 945922903 /nfs/dbraw/zinc/92/29/03/945922903.db2.gz GBMLOHXJJQFXLG-IIEJUSTOSA-N -1 3 355.402 0.650 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@@H](O)C2CC2)cc(-c2nn[n-]n2)n1C ZINC000822020644 945922910 /nfs/dbraw/zinc/92/29/10/945922910.db2.gz GBMLOHXJJQFXLG-IIEJUSTOSA-N -1 3 355.402 0.650 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)O[C@@H]2CCCNC2=O)cc(-c2nnn[n-]2)n1C ZINC000822026841 945926124 /nfs/dbraw/zinc/92/61/24/945926124.db2.gz AMVJEWJWVAFTHU-ASJRZHAZSA-N -1 3 355.358 0.242 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)O[C@@H]2CCCNC2=O)cc(-c2nn[n-]n2)n1C ZINC000822026841 945926131 /nfs/dbraw/zinc/92/61/31/945926131.db2.gz AMVJEWJWVAFTHU-ASJRZHAZSA-N -1 3 355.358 0.242 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@]2(O)CCSC2)cc(-c2nnn[n-]2)n1C ZINC000822027606 945933643 /nfs/dbraw/zinc/93/36/43/945933643.db2.gz IQXBWPDXHPOJJZ-FJCDDACJSA-N -1 3 373.442 0.405 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@]2(O)CCSC2)cc(-c2nn[n-]n2)n1C ZINC000822027606 945933655 /nfs/dbraw/zinc/93/36/55/945933655.db2.gz IQXBWPDXHPOJJZ-FJCDDACJSA-N -1 3 373.442 0.405 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(CO)CC2)cc(-c2nnn[n-]2)n1C ZINC000822029079 945952394 /nfs/dbraw/zinc/95/23/94/945952394.db2.gz VCKJDPSGGKECLL-VGOFMYFVSA-N -1 3 355.402 0.652 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCC(CO)CC2)cc(-c2nn[n-]n2)n1C ZINC000822029079 945952398 /nfs/dbraw/zinc/95/23/98/945952398.db2.gz VCKJDPSGGKECLL-VGOFMYFVSA-N -1 3 355.402 0.652 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CCO)C(C)C)cc(-c2nnn[n-]2)n1C ZINC000822029326 945954384 /nfs/dbraw/zinc/95/43/84/945954384.db2.gz XDHGHCWRWLOFRM-WTWVRAIASA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CCO)C(C)C)cc(-c2nn[n-]n2)n1C ZINC000822029326 945954404 /nfs/dbraw/zinc/95/44/04/945954404.db2.gz XDHGHCWRWLOFRM-WTWVRAIASA-N -1 3 357.418 0.944 20 50 FCGDHM Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000822232235 946015226 /nfs/dbraw/zinc/01/52/26/946015226.db2.gz YCLSTHHEZCQUHE-UHFFFAOYSA-N -1 3 355.358 0.652 20 50 FCGDHM Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000822232235 946015239 /nfs/dbraw/zinc/01/52/39/946015239.db2.gz YCLSTHHEZCQUHE-UHFFFAOYSA-N -1 3 355.358 0.652 20 50 FCGDHM Cc1ccoc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822379477 946076518 /nfs/dbraw/zinc/07/65/18/946076518.db2.gz OOWVKEUSNMYZHK-UHFFFAOYSA-N -1 3 370.325 0.386 20 50 FCGDHM Cc1ccoc1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822379477 946076528 /nfs/dbraw/zinc/07/65/28/946076528.db2.gz OOWVKEUSNMYZHK-UHFFFAOYSA-N -1 3 370.325 0.386 20 50 FCGDHM Cn1ncc2c1nc(NNC(=O)Nc1cccc(-c3nnn[n-]3)c1)[nH]c2=O ZINC000822709231 946163631 /nfs/dbraw/zinc/16/36/31/946163631.db2.gz ICSXPXYSSHMSLR-UHFFFAOYSA-N -1 3 367.333 0.398 20 50 FCGDHM Cn1ncc2c1nc(NNC(=O)Nc1cccc(-c3nn[n-]n3)c1)[nH]c2=O ZINC000822709231 946163639 /nfs/dbraw/zinc/16/36/39/946163639.db2.gz ICSXPXYSSHMSLR-UHFFFAOYSA-N -1 3 367.333 0.398 20 50 FCGDHM O=C(CCOC1CCOCC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822969636 946240753 /nfs/dbraw/zinc/24/07/53/946240753.db2.gz UWVVTNCIZXFXQX-UHFFFAOYSA-N -1 3 360.374 0.213 20 50 FCGDHM O=C(CCOC1CCOCC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822969636 946240762 /nfs/dbraw/zinc/24/07/62/946240762.db2.gz UWVVTNCIZXFXQX-UHFFFAOYSA-N -1 3 360.374 0.213 20 50 FCGDHM O=C(CN1CCCc2ccccc21)NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000822996216 946255309 /nfs/dbraw/zinc/25/53/09/946255309.db2.gz AWNWYNGIJAGYSR-UHFFFAOYSA-N -1 3 366.385 0.409 20 50 FCGDHM O=C(CN1CCCc2ccccc21)NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000822996216 946255315 /nfs/dbraw/zinc/25/53/15/946255315.db2.gz AWNWYNGIJAGYSR-UHFFFAOYSA-N -1 3 366.385 0.409 20 50 FCGDHM O=C(CNC(=O)c1cccnc1)NN=Cc1cc(-c2nnn[n-]2)cs1 ZINC000823005067 946261785 /nfs/dbraw/zinc/26/17/85/946261785.db2.gz AHZZBBZRZTYKCW-UHFFFAOYSA-N -1 3 356.371 0.203 20 50 FCGDHM O=C(CNC(=O)c1cccnc1)NN=Cc1cc(-c2nn[n-]n2)cs1 ZINC000823005067 946261796 /nfs/dbraw/zinc/26/17/96/946261796.db2.gz AHZZBBZRZTYKCW-UHFFFAOYSA-N -1 3 356.371 0.203 20 50 FCGDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1ccncc1 ZINC000823009997 946267063 /nfs/dbraw/zinc/26/70/63/946267063.db2.gz ZNZIAUCUNBDFJZ-UHFFFAOYSA-N -1 3 352.358 0.064 20 50 FCGDHM O=C(COC(=O)C1CCCCC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018537 946273780 /nfs/dbraw/zinc/27/37/80/946273780.db2.gz QXMNIPBWXNHJKE-UHFFFAOYSA-N -1 3 372.385 0.751 20 50 FCGDHM O=C(COC(=O)C1CCCCC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018537 946273792 /nfs/dbraw/zinc/27/37/92/946273792.db2.gz QXMNIPBWXNHJKE-UHFFFAOYSA-N -1 3 372.385 0.751 20 50 FCGDHM O=C(COC(=O)c1cc(-c2nnn[n-]2)cs1)NNC(=O)c1ccccc1 ZINC000823022452 946277511 /nfs/dbraw/zinc/27/75/11/946277511.db2.gz GUZSSQLJHZFHRR-UHFFFAOYSA-N -1 3 372.366 0.546 20 50 FCGDHM O=C(COC(=O)c1cc(-c2nn[n-]n2)cs1)NNC(=O)c1ccccc1 ZINC000823022452 946277520 /nfs/dbraw/zinc/27/75/20/946277520.db2.gz GUZSSQLJHZFHRR-UHFFFAOYSA-N -1 3 372.366 0.546 20 50 FCGDHM O=C(COCc1ccccc1)NNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823032442 946283835 /nfs/dbraw/zinc/28/38/35/946283835.db2.gz UTVRLUTWNRYTNS-UHFFFAOYSA-N -1 3 366.381 0.773 20 50 FCGDHM O=C(COCc1ccccc1)NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823032442 946283839 /nfs/dbraw/zinc/28/38/39/946283839.db2.gz UTVRLUTWNRYTNS-UHFFFAOYSA-N -1 3 366.381 0.773 20 50 FCGDHM O=C(C=C1CC(=O)NC(=S)N1)NN=Cc1ccc(-c2nnn[n-]2)cc1F ZINC000823074314 946302680 /nfs/dbraw/zinc/30/26/80/946302680.db2.gz POJRESZXFXPPOK-UHFFFAOYSA-N -1 3 374.361 0.483 20 50 FCGDHM O=C(C=C1CC(=O)NC(=S)N1)NN=Cc1ccc(-c2nn[n-]n2)cc1F ZINC000823074314 946302690 /nfs/dbraw/zinc/30/26/90/946302690.db2.gz POJRESZXFXPPOK-UHFFFAOYSA-N -1 3 374.361 0.483 20 50 FCGDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NNC(=O)c1ccc2c(c1)OCO2 ZINC000823103886 946308761 /nfs/dbraw/zinc/30/87/61/946308761.db2.gz NVHRTNNQCBHPHI-UHFFFAOYSA-N -1 3 366.337 0.599 20 50 FCGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNC(=O)c1ccc2c(c1)OCO2 ZINC000823103886 946308774 /nfs/dbraw/zinc/30/87/74/946308774.db2.gz NVHRTNNQCBHPHI-UHFFFAOYSA-N -1 3 366.337 0.599 20 50 FCGDHM O=C(Cc1ccncc1)NNC(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000823114781 946315165 /nfs/dbraw/zinc/31/51/65/946315165.db2.gz DNEGNNDVEIDOQL-UHFFFAOYSA-N -1 3 352.358 0.335 20 50 FCGDHM O=C(Cc1ccncc1)NNC(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000823114781 946315180 /nfs/dbraw/zinc/31/51/80/946315180.db2.gz DNEGNNDVEIDOQL-UHFFFAOYSA-N -1 3 352.358 0.335 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H]1CCCc2c[nH]nc21 ZINC000823277010 946395178 /nfs/dbraw/zinc/39/51/78/946395178.db2.gz BNEQEJVPKPTPEO-LBPRGKRZSA-N -1 3 367.373 0.611 20 50 FCGDHM C[C@H](NCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccn1 ZINC000824562655 946800916 /nfs/dbraw/zinc/80/09/16/946800916.db2.gz ICJIOSJKGOUUPX-NSHDSACASA-N -1 3 366.385 0.374 20 50 FCGDHM CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1(C)C ZINC000826144041 947451698 /nfs/dbraw/zinc/45/16/98/947451698.db2.gz AHATZYIZMZKZMV-OASPWFOLSA-N -1 3 373.417 0.870 20 50 FCGDHM CO[C@@H]1[C@H](C)[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1(C)C ZINC000826144041 947451712 /nfs/dbraw/zinc/45/17/12/947451712.db2.gz AHATZYIZMZKZMV-OASPWFOLSA-N -1 3 373.417 0.870 20 50 FCGDHM C=C[C@@H]1OCC[C@H]1NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC001573351098 947609152 /nfs/dbraw/zinc/60/91/52/947609152.db2.gz KGARAXPVZORAGY-HERRNLAMSA-N -1 3 353.386 0.880 20 50 FCGDHM C=C[C@@H]1OCC[C@H]1NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC001573351098 947609159 /nfs/dbraw/zinc/60/91/59/947609159.db2.gz KGARAXPVZORAGY-HERRNLAMSA-N -1 3 353.386 0.880 20 50 FCGDHM O=C(Cc1ccc(-n2cnnn2)cc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826422293 607339567 /nfs/dbraw/zinc/33/95/67/607339567.db2.gz TYINFEUPSDEWEI-UHFFFAOYSA-N -1 3 362.357 0.528 20 50 FCGDHM Cc1ccc(S(N)(=O)=O)cc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826292806 607355169 /nfs/dbraw/zinc/35/51/69/607355169.db2.gz MVMCXJAGKYHKSE-UHFFFAOYSA-N -1 3 373.398 0.579 20 50 FCGDHM O=C(Cn1c(=O)cnc2ccccc21)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826424679 607355348 /nfs/dbraw/zinc/35/53/48/607355348.db2.gz YBVBJPMKVUWMEZ-UHFFFAOYSA-N -1 3 362.353 0.720 20 50 FCGDHM COC[C@@](C)(O)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000826148384 607396120 /nfs/dbraw/zinc/39/61/20/607396120.db2.gz HGHCJBJBCTZRNM-GFCCVEGCSA-N -1 3 360.296 0.726 20 50 FCGDHM COC[C@@](C)(O)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000826148384 607396122 /nfs/dbraw/zinc/39/61/22/607396122.db2.gz HGHCJBJBCTZRNM-GFCCVEGCSA-N -1 3 360.296 0.726 20 50 FCGDHM N#Cc1cccc(NNC(=O)CNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826387376 607463537 /nfs/dbraw/zinc/46/35/37/607463537.db2.gz RZWRKRXEJMRIJV-UHFFFAOYSA-N -1 3 362.353 0.611 20 50 FCGDHM N#Cc1cccc(NNC(=O)CNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826387376 607463538 /nfs/dbraw/zinc/46/35/38/607463538.db2.gz RZWRKRXEJMRIJV-UHFFFAOYSA-N -1 3 362.353 0.611 20 50 FCGDHM C[C@H](C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCSCC1 ZINC000824040186 607569596 /nfs/dbraw/zinc/56/95/96/607569596.db2.gz MKYFETIUVYPHLE-SNVBAGLBSA-N -1 3 361.431 0.065 20 50 FCGDHM C[C@H](C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCSCC1 ZINC000824040186 607569598 /nfs/dbraw/zinc/56/95/98/607569598.db2.gz MKYFETIUVYPHLE-SNVBAGLBSA-N -1 3 361.431 0.065 20 50 FCGDHM Cn1c2ccccc2n(CC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1=O ZINC000826354705 607714097 /nfs/dbraw/zinc/71/40/97/607714097.db2.gz RBMMFQGGVGGMHA-UHFFFAOYSA-N -1 3 364.369 0.663 20 50 FCGDHM Cn1c2ccccc2n(CC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1=O ZINC000826354705 607714099 /nfs/dbraw/zinc/71/40/99/607714099.db2.gz RBMMFQGGVGGMHA-UHFFFAOYSA-N -1 3 364.369 0.663 20 50 FCGDHM COc1ccc(C(=O)NCC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826187435 607722650 /nfs/dbraw/zinc/72/26/50/607722650.db2.gz PRPSVHBRAKCOOV-UHFFFAOYSA-N -1 3 367.369 0.748 20 50 FCGDHM COc1ccc(C(=O)NCC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826187435 607722653 /nfs/dbraw/zinc/72/26/53/607722653.db2.gz PRPSVHBRAKCOOV-UHFFFAOYSA-N -1 3 367.369 0.748 20 50 FCGDHM O=C(CS[C@H]1CCS(=O)(=O)C1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826419820 607724636 /nfs/dbraw/zinc/72/46/36/607724636.db2.gz NFZRJUFHVBKRAZ-NSHDSACASA-N -1 3 368.444 0.230 20 50 FCGDHM O=C(CS[C@H]1CCS(=O)(=O)C1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826419820 607724638 /nfs/dbraw/zinc/72/46/38/607724638.db2.gz NFZRJUFHVBKRAZ-NSHDSACASA-N -1 3 368.444 0.230 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000826447926 607730829 /nfs/dbraw/zinc/73/08/29/607730829.db2.gz BFTAOAUZMTWNFP-JTQLQIEISA-N -1 3 353.346 0.086 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000826447926 607730831 /nfs/dbraw/zinc/73/08/31/607730831.db2.gz BFTAOAUZMTWNFP-JTQLQIEISA-N -1 3 353.346 0.086 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)N[C@H]1CCc2c[nH]nc2C1 ZINC000823277845 606987915 /nfs/dbraw/zinc/98/79/15/606987915.db2.gz YIVOGVBZNGUXDU-LBPRGKRZSA-N -1 3 367.373 0.091 20 50 FCGDHM C[C@H]1OCC[C@H]1SCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000825020205 607845284 /nfs/dbraw/zinc/84/52/84/607845284.db2.gz JLISFMBMAFDFMA-BXKDBHETSA-N -1 3 362.415 0.538 20 50 FCGDHM C[C@H]1OCC[C@H]1SCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825020205 607845285 /nfs/dbraw/zinc/84/52/85/607845285.db2.gz JLISFMBMAFDFMA-BXKDBHETSA-N -1 3 362.415 0.538 20 50 FCGDHM Cc1cnccc1CCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826319879 607861112 /nfs/dbraw/zinc/86/11/12/607861112.db2.gz XFOUGILKQDYDQB-UHFFFAOYSA-N -1 3 366.385 0.757 20 50 FCGDHM Cc1cnccc1CCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826319879 607861113 /nfs/dbraw/zinc/86/11/13/607861113.db2.gz XFOUGILKQDYDQB-UHFFFAOYSA-N -1 3 366.385 0.757 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2O)cc(-c2nnn[n-]2)n1C ZINC000826235944 607941635 /nfs/dbraw/zinc/94/16/35/607941635.db2.gz VBSHPVFGYLWCKX-BTKKQJHQSA-N -1 3 355.402 0.840 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCCC[C@@H]2O)cc(-c2nn[n-]n2)n1C ZINC000826235944 607941636 /nfs/dbraw/zinc/94/16/36/607941636.db2.gz VBSHPVFGYLWCKX-BTKKQJHQSA-N -1 3 355.402 0.840 20 50 FCGDHM CCC[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000825254472 607993005 /nfs/dbraw/zinc/99/30/05/607993005.db2.gz RXWJGPSNMVUDFS-CQSZACIVSA-N -1 3 373.417 0.129 20 50 FCGDHM CCC[C@@H]1CN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000825254472 607993006 /nfs/dbraw/zinc/99/30/06/607993006.db2.gz RXWJGPSNMVUDFS-CQSZACIVSA-N -1 3 373.417 0.129 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(C)(C)OC2=O)cc(-c2nnn[n-]2)n1C ZINC000826235522 608075741 /nfs/dbraw/zinc/07/57/41/608075741.db2.gz LKXDGSIMUJKATA-JXDHDYMSSA-N -1 3 369.385 0.631 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CC(C)(C)OC2=O)cc(-c2nn[n-]n2)n1C ZINC000826235522 608075742 /nfs/dbraw/zinc/07/57/42/608075742.db2.gz LKXDGSIMUJKATA-JXDHDYMSSA-N -1 3 369.385 0.631 20 50 FCGDHM CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948442 608094474 /nfs/dbraw/zinc/09/44/74/608094474.db2.gz MXZLIIWPQDZPHS-UHFFFAOYSA-N -1 3 359.371 0.791 20 50 FCGDHM O=C(CSc1ccccc1O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826421265 608120905 /nfs/dbraw/zinc/12/09/05/608120905.db2.gz ZOAWZNIFCIYJBI-UHFFFAOYSA-N -1 3 359.371 0.454 20 50 FCGDHM O=C(CSc1ccccc1O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826421265 608120906 /nfs/dbraw/zinc/12/09/06/608120906.db2.gz ZOAWZNIFCIYJBI-UHFFFAOYSA-N -1 3 359.371 0.454 20 50 FCGDHM Cc1ccc(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cc1O ZINC000826286973 608279233 /nfs/dbraw/zinc/27/92/33/608279233.db2.gz XNTPLCVVKSCXTQ-UHFFFAOYSA-N -1 3 352.354 0.884 20 50 FCGDHM Cc1ccc(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cc1O ZINC000826286973 608279234 /nfs/dbraw/zinc/27/92/34/608279234.db2.gz XNTPLCVVKSCXTQ-UHFFFAOYSA-N -1 3 352.354 0.884 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@](C)(O)C2)cc(-c2nnn[n-]2)n1C ZINC000826235515 608385656 /nfs/dbraw/zinc/38/56/56/608385656.db2.gz LHILWGAIUHHGEQ-BNXPMYBGSA-N -1 3 355.402 0.794 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@](C)(O)C2)cc(-c2nn[n-]n2)n1C ZINC000826235515 608385658 /nfs/dbraw/zinc/38/56/58/608385658.db2.gz LHILWGAIUHHGEQ-BNXPMYBGSA-N -1 3 355.402 0.794 20 50 FCGDHM N#CC1=CCN(C(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)CC1 ZINC000826380454 608387456 /nfs/dbraw/zinc/38/74/56/608387456.db2.gz AWPIABWSARRLFS-UHFFFAOYSA-N -1 3 361.369 0.930 20 50 FCGDHM N#CC1=CCN(C(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)CC1 ZINC000826380454 608387458 /nfs/dbraw/zinc/38/74/58/608387458.db2.gz AWPIABWSARRLFS-UHFFFAOYSA-N -1 3 361.369 0.930 20 50 FCGDHM COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000826160580 609160647 /nfs/dbraw/zinc/16/06/47/609160647.db2.gz XUCNBYWHBQBTCJ-JTQLQIEISA-N -1 3 350.354 0.898 20 50 FCGDHM COCCO[C@@H](C)C(=O)NN=C(C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000826160580 609160648 /nfs/dbraw/zinc/16/06/48/609160648.db2.gz XUCNBYWHBQBTCJ-JTQLQIEISA-N -1 3 350.354 0.898 20 50 FCGDHM O=C(CO)NN=Cc1cccc(OCc2ccccc2-c2nnn[n-]2)c1 ZINC000826414706 609161347 /nfs/dbraw/zinc/16/13/47/609161347.db2.gz GDAVUHZPEIJMFF-UHFFFAOYSA-N -1 3 352.354 0.888 20 50 FCGDHM O=C(CO)NN=Cc1cccc(OCc2ccccc2-c2nn[n-]n2)c1 ZINC000826414706 609161348 /nfs/dbraw/zinc/16/13/48/609161348.db2.gz GDAVUHZPEIJMFF-UHFFFAOYSA-N -1 3 352.354 0.888 20 50 FCGDHM C[C@](O)(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824669709 609223692 /nfs/dbraw/zinc/22/36/92/609223692.db2.gz GUUDTPKLZXPFTJ-SFHVURJKSA-N -1 3 366.381 0.926 20 50 FCGDHM C[C@](O)(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824669709 609223695 /nfs/dbraw/zinc/22/36/95/609223695.db2.gz GUUDTPKLZXPFTJ-SFHVURJKSA-N -1 3 366.381 0.926 20 50 FCGDHM O=C(NNc1ccccn1)C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826449080 609263403 /nfs/dbraw/zinc/26/34/03/609263403.db2.gz AMQWEECEHANIKR-UHFFFAOYSA-N -1 3 358.749 0.997 20 50 FCGDHM O=C(NNc1ccccn1)C(=O)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000826449080 609263405 /nfs/dbraw/zinc/26/34/05/609263405.db2.gz AMQWEECEHANIKR-UHFFFAOYSA-N -1 3 358.749 0.997 20 50 FCGDHM C[C@@]1(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCCOC1 ZINC000824783938 609280189 /nfs/dbraw/zinc/28/01/89/609280189.db2.gz KUSLWHFMOXATDX-MRXNPFEDSA-N -1 3 360.374 0.210 20 50 FCGDHM COCCC[C@@H](C)C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826155048 609315001 /nfs/dbraw/zinc/31/50/01/609315001.db2.gz DUMDEIVUWYKTGF-LLVKDONJSA-N -1 3 362.390 0.456 20 50 FCGDHM Cc1onc(CC(=O)NNc2ccc(C(F)(F)F)nn2)c1-c1nnn[n-]1 ZINC000826348480 609467663 /nfs/dbraw/zinc/46/76/63/609467663.db2.gz OFJAFFBNPGXXPE-UHFFFAOYSA-N -1 3 369.267 0.658 20 50 FCGDHM Cn1cc(C(C)(C)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000826358856 609501105 /nfs/dbraw/zinc/50/11/05/609501105.db2.gz LRZIMTNBIZBTAT-UHFFFAOYSA-N -1 3 354.374 0.339 20 50 FCGDHM Cn1cc(C(C)(C)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000826358856 609501106 /nfs/dbraw/zinc/50/11/06/609501106.db2.gz LRZIMTNBIZBTAT-UHFFFAOYSA-N -1 3 354.374 0.339 20 50 FCGDHM CC(C)c1nccn1CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824364326 609516027 /nfs/dbraw/zinc/51/60/27/609516027.db2.gz BCNBAPLHBZYKDD-UHFFFAOYSA-N -1 3 354.374 0.648 20 50 FCGDHM Cc1noc(CCCNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737533512 945090610 /nfs/dbraw/zinc/09/06/10/945090610.db2.gz BOUWGPXGVMTBIC-UHFFFAOYSA-N -1 3 371.361 0.135 20 50 FCGDHM Cc1noc(CCCNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737533512 945090622 /nfs/dbraw/zinc/09/06/22/945090622.db2.gz BOUWGPXGVMTBIC-UHFFFAOYSA-N -1 3 371.361 0.135 20 50 FCGDHM NC(=O)[C@@H](NNC(=O)Cc1ccc(F)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737736031 945119181 /nfs/dbraw/zinc/11/91/81/945119181.db2.gz HAIAERKMBSPAOY-HNNXBMFYSA-N -1 3 369.360 0.396 20 50 FCGDHM NC(=O)[C@@H](NNC(=O)Cc1ccc(F)cc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737736031 945119189 /nfs/dbraw/zinc/11/91/89/945119189.db2.gz HAIAERKMBSPAOY-HNNXBMFYSA-N -1 3 369.360 0.396 20 50 FCGDHM NC(=O)[C@H](NNC(=O)c1cccc(Cl)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000737737522 945120793 /nfs/dbraw/zinc/12/07/93/945120793.db2.gz SBXGXVHGICGION-CYBMUJFWSA-N -1 3 371.788 0.981 20 50 FCGDHM NC(=O)[C@H](NNC(=O)c1cccc(Cl)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000737737522 945120799 /nfs/dbraw/zinc/12/07/99/945120799.db2.gz SBXGXVHGICGION-CYBMUJFWSA-N -1 3 371.788 0.981 20 50 FCGDHM NC(=O)COc1ccc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737753183 945122032 /nfs/dbraw/zinc/12/20/32/945122032.db2.gz NHBXQFLRLKDFKJ-UHFFFAOYSA-N -1 3 365.353 0.495 20 50 FCGDHM NC(=O)COc1ccc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000737753183 945122041 /nfs/dbraw/zinc/12/20/41/945122041.db2.gz NHBXQFLRLKDFKJ-UHFFFAOYSA-N -1 3 365.353 0.495 20 50 FCGDHM O=C(CNc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1ccccc1F ZINC000737894869 945147245 /nfs/dbraw/zinc/14/72/45/945147245.db2.gz LHLCVRVXZCWSJE-UHFFFAOYSA-N -1 3 369.360 0.808 20 50 FCGDHM O=C(CNc1ccccc1)NNC(=O)CNc1ccc(-c2nn[n-]n2)cc1 ZINC000737897757 945148287 /nfs/dbraw/zinc/14/82/87/945148287.db2.gz FWMHSBHQTLZPNT-UHFFFAOYSA-N -1 3 366.385 0.538 20 50 FCGDHM O=C(CSc1nccs1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737953936 945164343 /nfs/dbraw/zinc/16/43/43/945164343.db2.gz OWAMMAMWJQMJOP-UHFFFAOYSA-N -1 3 361.412 0.877 20 50 FCGDHM O=C(CSc1nccs1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737953936 945164351 /nfs/dbraw/zinc/16/43/51/945164351.db2.gz OWAMMAMWJQMJOP-UHFFFAOYSA-N -1 3 361.412 0.877 20 50 FCGDHM O=C(Cc1ccccn1)NNC(=O)NCc1cccc(-c2nnn[n-]2)c1 ZINC000737973114 945167945 /nfs/dbraw/zinc/16/79/45/945167945.db2.gz BEVMWLZSQQUTHI-UHFFFAOYSA-N -1 3 352.358 0.335 20 50 FCGDHM O=C(Cc1ccccn1)NNC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC000737973114 945167951 /nfs/dbraw/zinc/16/79/51/945167951.db2.gz BEVMWLZSQQUTHI-UHFFFAOYSA-N -1 3 352.358 0.335 20 50 FCGDHM O=Cc1cccc(OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000738318356 945259778 /nfs/dbraw/zinc/25/97/78/945259778.db2.gz QBSHASBVXVYSIK-UHFFFAOYSA-N -1 3 366.337 0.519 20 50 FCGDHM O=Cc1cccc(OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000738318356 945259787 /nfs/dbraw/zinc/25/97/87/945259787.db2.gz QBSHASBVXVYSIK-UHFFFAOYSA-N -1 3 366.337 0.519 20 50 FCGDHM CC(=O)N[C@H](C)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819803849 945293890 /nfs/dbraw/zinc/29/38/90/945293890.db2.gz QHWAIYOWSMFWCE-ZCFIWIBFSA-N -1 3 357.296 0.853 20 50 FCGDHM CC(=O)N[C@H](C)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819803849 945293899 /nfs/dbraw/zinc/29/38/99/945293899.db2.gz QHWAIYOWSMFWCE-ZCFIWIBFSA-N -1 3 357.296 0.853 20 50 FCGDHM CC(C)=C(C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820005165 945327561 /nfs/dbraw/zinc/32/75/61/945327561.db2.gz LNFRTWLXTCQGHX-UHFFFAOYSA-N -1 3 358.358 0.527 20 50 FCGDHM CC(C)=C(C)C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820005165 945327571 /nfs/dbraw/zinc/32/75/71/945327571.db2.gz LNFRTWLXTCQGHX-UHFFFAOYSA-N -1 3 358.358 0.527 20 50 FCGDHM CC(=NNC(=O)C=C1CC(=O)NC(=S)N1)c1ccc(-c2nnn[n-]2)cc1 ZINC000735447071 944653429 /nfs/dbraw/zinc/65/34/29/944653429.db2.gz ICSCNZZBCMIDRI-UHFFFAOYSA-N -1 3 370.398 0.734 20 50 FCGDHM CC(=NNC(=O)C=C1CC(=O)NC(=S)N1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735447071 944653437 /nfs/dbraw/zinc/65/34/37/944653437.db2.gz ICSCNZZBCMIDRI-UHFFFAOYSA-N -1 3 370.398 0.734 20 50 FCGDHM CC(C)CC(=O)NNC(=O)[C@H](C)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735759230 944698885 /nfs/dbraw/zinc/69/88/85/944698885.db2.gz QKNDOYJTYMTNED-LBPRGKRZSA-N -1 3 359.434 0.881 20 50 FCGDHM CC(C)CC(=O)NNC(=O)[C@H](C)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000735759230 944698888 /nfs/dbraw/zinc/69/88/88/944698888.db2.gz QKNDOYJTYMTNED-LBPRGKRZSA-N -1 3 359.434 0.881 20 50 FCGDHM CC(C)CC(=O)NCCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735759395 944699580 /nfs/dbraw/zinc/69/95/80/944699580.db2.gz TVOYLNXCQJNPMB-UHFFFAOYSA-N -1 3 359.390 0.180 20 50 FCGDHM CC(C)CC(=O)NCCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735759395 944699586 /nfs/dbraw/zinc/69/95/86/944699586.db2.gz TVOYLNXCQJNPMB-UHFFFAOYSA-N -1 3 359.390 0.180 20 50 FCGDHM C[C@@H](NC(=S)NNC(=O)COc1ccccc1-c1nnn[n-]1)C1CC1 ZINC000736128347 944747416 /nfs/dbraw/zinc/74/74/16/944747416.db2.gz WLFNWZKCDVUZTN-SECBINFHSA-N -1 3 361.431 0.539 20 50 FCGDHM C[C@@H](NC(=S)NNC(=O)COc1ccccc1-c1nn[n-]n1)C1CC1 ZINC000736128347 944747421 /nfs/dbraw/zinc/74/74/21/944747421.db2.gz WLFNWZKCDVUZTN-SECBINFHSA-N -1 3 361.431 0.539 20 50 FCGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@H]1CCCOC1 ZINC000736169403 944751342 /nfs/dbraw/zinc/75/13/42/944751342.db2.gz NESSREZUOCXZPQ-PWSUYJOCSA-N -1 3 360.374 0.208 20 50 FCGDHM CC1(C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H]2CCO[C@H]21 ZINC000736206446 944762550 /nfs/dbraw/zinc/76/25/50/944762550.db2.gz OJOBZGIAZKXGPG-YNEHKIRRSA-N -1 3 371.401 0.624 20 50 FCGDHM CC1(C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H]2CCO[C@H]21 ZINC000736206446 944762563 /nfs/dbraw/zinc/76/25/63/944762563.db2.gz OJOBZGIAZKXGPG-YNEHKIRRSA-N -1 3 371.401 0.624 20 50 FCGDHM CC1(C)COCCN1CCNC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000736213266 944765272 /nfs/dbraw/zinc/76/52/72/944765272.db2.gz GMPOGPLBOAWLMT-UHFFFAOYSA-N -1 3 360.422 0.604 20 50 FCGDHM CC1(C)COCCN1CCNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000736213266 944765284 /nfs/dbraw/zinc/76/52/84/944765284.db2.gz GMPOGPLBOAWLMT-UHFFFAOYSA-N -1 3 360.422 0.604 20 50 FCGDHM CCC(CC)NC(=O)C(=O)NNC(=O)C=Cc1ccccc1-c1nnn[n-]1 ZINC000736344556 944803805 /nfs/dbraw/zinc/80/38/05/944803805.db2.gz APQDSJXNUDVIEC-MDZDMXLPSA-N -1 3 371.401 0.332 20 50 FCGDHM CCC(CC)NC(=O)C(=O)NNC(=O)C=Cc1ccccc1-c1nn[n-]n1 ZINC000736344556 944803812 /nfs/dbraw/zinc/80/38/12/944803812.db2.gz APQDSJXNUDVIEC-MDZDMXLPSA-N -1 3 371.401 0.332 20 50 FCGDHM CCc1nc2n(n1)C[C@@H](NC(=O)NNc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000736707225 944876800 /nfs/dbraw/zinc/87/68/00/944876800.db2.gz XADGXMQPNLNKRC-LBPRGKRZSA-N -1 3 368.405 0.662 20 50 FCGDHM CCc1nc2n(n1)C[C@@H](NC(=O)NNc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000736707225 944876813 /nfs/dbraw/zinc/87/68/13/944876813.db2.gz XADGXMQPNLNKRC-LBPRGKRZSA-N -1 3 368.405 0.662 20 50 FCGDHM COC[C@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CCO1 ZINC000736976188 944924503 /nfs/dbraw/zinc/92/45/03/944924503.db2.gz JNPUSCNQBGDFOK-YGLIYXGISA-N -1 3 371.401 0.294 20 50 FCGDHM COC[C@H]1CN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CCO1 ZINC000736976188 944924516 /nfs/dbraw/zinc/92/45/16/944924516.db2.gz JNPUSCNQBGDFOK-YGLIYXGISA-N -1 3 371.401 0.294 20 50 FCGDHM CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737163420 944974686 /nfs/dbraw/zinc/97/46/86/944974686.db2.gz XALFZULRYARNAF-CYBMUJFWSA-N -1 3 362.415 0.940 20 50 FCGDHM CS(=O)(=O)[C@@H]1CCCCC1=NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737163420 944974692 /nfs/dbraw/zinc/97/46/92/944974692.db2.gz XALFZULRYARNAF-CYBMUJFWSA-N -1 3 362.415 0.940 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCn2cccn2)cc(-c2nn[n-]n2)n1C ZINC000737211836 944989088 /nfs/dbraw/zinc/98/90/88/944989088.db2.gz GDDWGQNMGFDITJ-JYRVWZFOSA-N -1 3 351.374 0.434 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NNC(=O)C2CCC2)cc(-c2nnn[n-]2)n1C ZINC000737212379 944993370 /nfs/dbraw/zinc/99/33/70/944993370.db2.gz IOUOETMLVWMRFP-SDQBBNPISA-N -1 3 354.374 0.368 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NNC(=O)C2CCC2)cc(-c2nn[n-]n2)n1C ZINC000737212379 944993379 /nfs/dbraw/zinc/99/33/79/944993379.db2.gz IOUOETMLVWMRFP-SDQBBNPISA-N -1 3 354.374 0.368 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OC[C@H]2COCCO2)cc(-c2nnn[n-]2)n1C ZINC000737212637 944994091 /nfs/dbraw/zinc/99/40/91/944994091.db2.gz LQRSHEMLGOZEGM-QWGHSUKYSA-N -1 3 358.358 0.379 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OC[C@H]2COCCO2)cc(-c2nn[n-]n2)n1C ZINC000737212637 944994109 /nfs/dbraw/zinc/99/41/09/944994109.db2.gz LQRSHEMLGOZEGM-QWGHSUKYSA-N -1 3 358.358 0.379 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)Cc1ccncc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820375034 945438989 /nfs/dbraw/zinc/43/89/89/945438989.db2.gz WKSWSGVZQVHCBR-LLVKDONJSA-N -1 3 366.385 0.896 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)Cc1ccncc1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820375034 945438995 /nfs/dbraw/zinc/43/89/95/945438995.db2.gz WKSWSGVZQVHCBR-LLVKDONJSA-N -1 3 366.385 0.896 20 50 FCGDHM CC1CC(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820648553 945508383 /nfs/dbraw/zinc/50/83/83/945508383.db2.gz BRUIJMQQVHVLIK-UHFFFAOYSA-N -1 3 358.358 0.217 20 50 FCGDHM CC1CC(C(=O)OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820648553 945508391 /nfs/dbraw/zinc/50/83/91/945508391.db2.gz BRUIJMQQVHVLIK-UHFFFAOYSA-N -1 3 358.358 0.217 20 50 FCGDHM CC[C@H](C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N1CCCC1=O ZINC000820843315 945569921 /nfs/dbraw/zinc/56/99/21/945569921.db2.gz WIOMSDLUJICWSO-GFCCVEGCSA-N -1 3 357.374 0.029 20 50 FCGDHM CC[C@H](C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N1CCCC1=O ZINC000820843315 945569927 /nfs/dbraw/zinc/56/99/27/945569927.db2.gz WIOMSDLUJICWSO-GFCCVEGCSA-N -1 3 357.374 0.029 20 50 FCGDHM CCC(C)(C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820847526 945570769 /nfs/dbraw/zinc/57/07/69/945570769.db2.gz FSGOVPXSFYVNNH-UHFFFAOYSA-N -1 3 360.374 0.607 20 50 FCGDHM CCC(C)(C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820847526 945570773 /nfs/dbraw/zinc/57/07/73/945570773.db2.gz FSGOVPXSFYVNNH-UHFFFAOYSA-N -1 3 360.374 0.607 20 50 FCGDHM CC[C@H](CCO)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000820901588 945587328 /nfs/dbraw/zinc/58/73/28/945587328.db2.gz CKTZFUKBAIZOCW-AISSWFOISA-N -1 3 357.418 0.945 20 50 FCGDHM CC[C@H](CCO)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000820901588 945587338 /nfs/dbraw/zinc/58/73/38/945587338.db2.gz CKTZFUKBAIZOCW-AISSWFOISA-N -1 3 357.418 0.945 20 50 FCGDHM CCC[C@@H]1C[C@@H]1NC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000821034739 945618443 /nfs/dbraw/zinc/61/84/43/945618443.db2.gz SIUKVUQRSSRJOM-YPMHNXCESA-N -1 3 359.390 0.765 20 50 FCGDHM CCC/C=C/C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821040371 945620234 /nfs/dbraw/zinc/62/02/34/945620234.db2.gz KXNVKBICBMKQFL-SNAWJCMRSA-N -1 3 358.358 0.527 20 50 FCGDHM CCC/C=C/C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821040371 945620239 /nfs/dbraw/zinc/62/02/39/945620239.db2.gz KXNVKBICBMKQFL-SNAWJCMRSA-N -1 3 358.358 0.527 20 50 FCGDHM CCC/C=C/C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821040058 945621309 /nfs/dbraw/zinc/62/13/09/945621309.db2.gz IACJJQDREXBGGV-XBXARRHUSA-N -1 3 358.358 0.527 20 50 FCGDHM CCC/C=C/C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821040058 945621311 /nfs/dbraw/zinc/62/13/11/945621311.db2.gz IACJJQDREXBGGV-XBXARRHUSA-N -1 3 358.358 0.527 20 50 FCGDHM COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000821655218 945779794 /nfs/dbraw/zinc/77/97/94/945779794.db2.gz HNVRFFHNZXXOBW-CHWSQXEVSA-N -1 3 372.385 0.607 20 50 FCGDHM COC(=O)[C@@H]1CCC[C@@H](C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000821655218 945779804 /nfs/dbraw/zinc/77/98/04/945779804.db2.gz HNVRFFHNZXXOBW-CHWSQXEVSA-N -1 3 372.385 0.607 20 50 FCGDHM COC(=O)C[C@@H]1CCCN1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821659057 945783487 /nfs/dbraw/zinc/78/34/87/945783487.db2.gz QGRDKUIFSZCPLF-LBPRGKRZSA-N -1 3 373.373 0.249 20 50 FCGDHM COC(=O)C[C@@H]1CCCN1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821659057 945783491 /nfs/dbraw/zinc/78/34/91/945783491.db2.gz QGRDKUIFSZCPLF-LBPRGKRZSA-N -1 3 373.373 0.249 20 50 FCGDHM COCC[C@](C)(O)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821685868 945811284 /nfs/dbraw/zinc/81/12/84/945811284.db2.gz SZCNUFNCNDGDHA-BNXPMYBGSA-N -1 3 373.417 0.324 20 50 FCGDHM COCC[C@](C)(O)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821685868 945811294 /nfs/dbraw/zinc/81/12/94/945811294.db2.gz SZCNUFNCNDGDHA-BNXPMYBGSA-N -1 3 373.417 0.324 20 50 FCGDHM COc1cccc(NCC(=O)NNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)c1 ZINC000821873834 945890904 /nfs/dbraw/zinc/89/09/04/945890904.db2.gz YRRVERYAYIABLC-UHFFFAOYSA-N -1 3 356.346 0.077 20 50 FCGDHM COc1cccc(NCC(=O)NNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)c1 ZINC000821873834 945890916 /nfs/dbraw/zinc/89/09/16/945890916.db2.gz YRRVERYAYIABLC-UHFFFAOYSA-N -1 3 356.346 0.077 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCC[C@H]2O)cc(-c2nnn[n-]2)n1C ZINC000822028271 945941586 /nfs/dbraw/zinc/94/15/86/945941586.db2.gz MXKMUSQNRYLELD-LVAWLBJVSA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCC[C@H]2O)cc(-c2nn[n-]n2)n1C ZINC000822028271 945941594 /nfs/dbraw/zinc/94/15/94/945941594.db2.gz MXKMUSQNRYLELD-LVAWLBJVSA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1nc(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000822436730 946088438 /nfs/dbraw/zinc/08/84/38/946088438.db2.gz PXVPSXWBHJAVEZ-UHFFFAOYSA-N -1 3 357.399 0.944 20 50 FCGDHM Cc1nc(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000822436730 946088448 /nfs/dbraw/zinc/08/84/48/946088448.db2.gz PXVPSXWBHJAVEZ-UHFFFAOYSA-N -1 3 357.399 0.944 20 50 FCGDHM Cc1occc1CN(C)CC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822553109 946124427 /nfs/dbraw/zinc/12/44/27/946124427.db2.gz INFKAKILGMJDHH-UHFFFAOYSA-N -1 3 369.385 0.661 20 50 FCGDHM Cc1occc1CN(C)CC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822553109 946124434 /nfs/dbraw/zinc/12/44/34/946124434.db2.gz INFKAKILGMJDHH-UHFFFAOYSA-N -1 3 369.385 0.661 20 50 FCGDHM O=C(CCCOc1cccnc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822959261 946236360 /nfs/dbraw/zinc/23/63/60/946236360.db2.gz VLGULPVLFUWPOL-UHFFFAOYSA-N -1 3 367.369 0.882 20 50 FCGDHM O=C(CCCOc1cccnc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822959261 946236366 /nfs/dbraw/zinc/23/63/66/946236366.db2.gz VLGULPVLFUWPOL-UHFFFAOYSA-N -1 3 367.369 0.882 20 50 FCGDHM O=C(COC(=O)CC1CCC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018399 946273740 /nfs/dbraw/zinc/27/37/40/946273740.db2.gz MGLBWCVKOKGBDB-UHFFFAOYSA-N -1 3 358.358 0.361 20 50 FCGDHM O=C(COC(=O)CC1CCC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018399 946273754 /nfs/dbraw/zinc/27/37/54/946273754.db2.gz MGLBWCVKOKGBDB-UHFFFAOYSA-N -1 3 358.358 0.361 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)NCc1ccccc1 ZINC000823036509 946286114 /nfs/dbraw/zinc/28/61/14/946286114.db2.gz FELSKNSDKSEDTF-UHFFFAOYSA-N -1 3 367.369 0.776 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)C[C@H]1CCCCO1 ZINC000823036944 946287624 /nfs/dbraw/zinc/28/76/24/946287624.db2.gz NGWUIKIJPPOVQE-CYBMUJFWSA-N -1 3 360.374 0.352 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)CC1(O)CCCC1 ZINC000823037202 946287917 /nfs/dbraw/zinc/28/79/17/946287917.db2.gz TXJDFOCTRXIXSA-UHFFFAOYSA-N -1 3 360.374 0.088 20 50 FCGDHM O=C(CSc1ccc(-c2nnn[n-]2)cc1)NNC(=O)Cc1ccncc1 ZINC000823065985 946300931 /nfs/dbraw/zinc/30/09/31/946300931.db2.gz HJHOOCYBODLFHY-UHFFFAOYSA-N -1 3 369.410 0.744 20 50 FCGDHM O=C(CSc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1ccncc1 ZINC000823065985 946300942 /nfs/dbraw/zinc/30/09/42/946300942.db2.gz HJHOOCYBODLFHY-UHFFFAOYSA-N -1 3 369.410 0.744 20 50 FCGDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000823103959 946311765 /nfs/dbraw/zinc/31/17/65/946311765.db2.gz OYBBLKQFLIHEBH-HNNXBMFYSA-N -1 3 364.365 0.560 20 50 FCGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNC(=O)[C@@H]1Cc2ccccc2O1 ZINC000823103959 946311778 /nfs/dbraw/zinc/31/17/78/946311778.db2.gz OYBBLKQFLIHEBH-HNNXBMFYSA-N -1 3 364.365 0.560 20 50 FCGDHM O=C(NCCc1cscn1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823223557 946348049 /nfs/dbraw/zinc/34/80/49/946348049.db2.gz CUKISMBLGDPMJQ-UHFFFAOYSA-N -1 3 358.387 0.510 20 50 FCGDHM O=C(NCCc1cscn1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823223557 946348064 /nfs/dbraw/zinc/34/80/64/946348064.db2.gz CUKISMBLGDPMJQ-UHFFFAOYSA-N -1 3 358.387 0.510 20 50 FCGDHM O=C(NCCc1ccncc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823224330 946351259 /nfs/dbraw/zinc/35/12/59/946351259.db2.gz YLJXIFPLLFURNX-UHFFFAOYSA-N -1 3 352.358 0.448 20 50 FCGDHM O=C(NCCc1ccncc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823224330 946351270 /nfs/dbraw/zinc/35/12/70/946351270.db2.gz YLJXIFPLLFURNX-UHFFFAOYSA-N -1 3 352.358 0.448 20 50 FCGDHM O=C(NN=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)Nc1ccccn1 ZINC000823273036 946371367 /nfs/dbraw/zinc/37/13/67/946371367.db2.gz CAPLSUAEPXLLRU-UHFFFAOYSA-N -1 3 354.305 0.490 20 50 FCGDHM O=C(NN=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)Nc1ccccn1 ZINC000823273036 946371378 /nfs/dbraw/zinc/37/13/78/946371378.db2.gz CAPLSUAEPXLLRU-UHFFFAOYSA-N -1 3 354.305 0.490 20 50 FCGDHM CC(=O)c1ccc(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)nc1 ZINC001573556570 946929017 /nfs/dbraw/zinc/92/90/17/946929017.db2.gz SFZQQBBUPFPEIB-UHFFFAOYSA-N -1 3 366.341 0.931 20 50 FCGDHM CC(=O)c1ccc(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)nc1 ZINC001573556570 946929026 /nfs/dbraw/zinc/92/90/26/946929026.db2.gz SFZQQBBUPFPEIB-UHFFFAOYSA-N -1 3 366.341 0.931 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNc1cccc(S(C)(=O)=O)c1 ZINC000826358202 948113559 /nfs/dbraw/zinc/11/35/59/948113559.db2.gz KAPFRLXEHUIHCN-UHFFFAOYSA-N -1 3 361.387 0.366 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNc1cccc(S(C)(=O)=O)c1 ZINC000826358202 948113568 /nfs/dbraw/zinc/11/35/68/948113568.db2.gz KAPFRLXEHUIHCN-UHFFFAOYSA-N -1 3 361.387 0.366 20 50 FCGDHM COC(=O)Cc1ccc(NNC(=O)c2ccc(-c3nnn[n-]3)cn2)cc1 ZINC001300383328 948503157 /nfs/dbraw/zinc/50/31/57/948503157.db2.gz SXIKNLPIJUONFP-UHFFFAOYSA-N -1 3 353.342 0.734 20 50 FCGDHM COC(=O)Cc1ccc(NNC(=O)c2ccc(-c3nn[n-]n3)cn2)cc1 ZINC001300383328 948503162 /nfs/dbraw/zinc/50/31/62/948503162.db2.gz SXIKNLPIJUONFP-UHFFFAOYSA-N -1 3 353.342 0.734 20 50 FCGDHM O=C(CN1C(=O)COc2ccccc21)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826409790 607349611 /nfs/dbraw/zinc/34/96/11/607349611.db2.gz PDPMHUOXSYUYIM-UHFFFAOYSA-N -1 3 365.353 0.735 20 50 FCGDHM NC(=O)c1cccc(OCCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826393970 607351792 /nfs/dbraw/zinc/35/17/92/607351792.db2.gz RKJBBJCGBYGDDX-UHFFFAOYSA-N -1 3 367.369 0.878 20 50 FCGDHM O=C(Cn1cnc2ccccc2c1=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826425657 607353027 /nfs/dbraw/zinc/35/30/27/607353027.db2.gz NDUXPTMLFGHSEJ-UHFFFAOYSA-N -1 3 362.353 0.720 20 50 FCGDHM Cc1ccn2c(c1)ncc(C(=O)NNc1ccc(-c3nn[n-]n3)cc1)c2=O ZINC000826308837 607355428 /nfs/dbraw/zinc/35/54/28/607355428.db2.gz RYBSMSYTFDTDKP-UHFFFAOYSA-N -1 3 362.353 0.940 20 50 FCGDHM Cc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1S(N)(=O)=O ZINC000826281614 607354954 /nfs/dbraw/zinc/35/49/54/607354954.db2.gz BSBJHVDHSDBHLH-UHFFFAOYSA-N -1 3 373.398 0.579 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)C1CCC(=O)CC1 ZINC000823524716 599695578 /nfs/dbraw/zinc/69/55/78/599695578.db2.gz AVRBUIBNAAYPKP-UHFFFAOYSA-N -1 3 358.358 0.152 20 50 FCGDHM CNC(=O)C(C)(C)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826050796 607511373 /nfs/dbraw/zinc/51/13/73/607511373.db2.gz DSKNWPIARUIBOC-WUXMJOGZSA-N -1 3 370.417 0.309 20 50 FCGDHM CNC(=O)C(C)(C)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826050796 607511375 /nfs/dbraw/zinc/51/13/75/607511375.db2.gz DSKNWPIARUIBOC-WUXMJOGZSA-N -1 3 370.417 0.309 20 50 FCGDHM O=C(NNC(=O)N1CC[C@H]([C@H]2CCOC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444755 607538292 /nfs/dbraw/zinc/53/82/92/607538292.db2.gz SOQYPOFHZFLHAP-KBPBESRZSA-N -1 3 371.401 0.580 20 50 FCGDHM O=C(NNC(=O)N1CC[C@H]([C@H]2CCOC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444755 607538293 /nfs/dbraw/zinc/53/82/93/607538293.db2.gz SOQYPOFHZFLHAP-KBPBESRZSA-N -1 3 371.401 0.580 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cnn2c1CCCC2 ZINC000826445044 607566125 /nfs/dbraw/zinc/56/61/25/607566125.db2.gz DRYYWZDIGNQACJ-UHFFFAOYSA-N -1 3 352.358 0.474 20 50 FCGDHM O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826421356 607683775 /nfs/dbraw/zinc/68/37/75/607683775.db2.gz DRFCAAZPGIXNNZ-UHFFFAOYSA-N -1 3 350.342 0.680 20 50 FCGDHM O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826421356 607683777 /nfs/dbraw/zinc/68/37/77/607683777.db2.gz DRFCAAZPGIXNNZ-UHFFFAOYSA-N -1 3 350.342 0.680 20 50 FCGDHM O=C(C[C@H]1CSCCS1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826405169 607714090 /nfs/dbraw/zinc/71/40/90/607714090.db2.gz XEUHVUGZZKFUQX-NSHDSACASA-N -1 3 364.456 0.866 20 50 FCGDHM O=C(C[C@H]1CSCCS1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826405169 607714091 /nfs/dbraw/zinc/71/40/91/607714091.db2.gz XEUHVUGZZKFUQX-NSHDSACASA-N -1 3 364.456 0.866 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCN1c1ncccn1 ZINC000826448408 607714709 /nfs/dbraw/zinc/71/47/09/607714709.db2.gz ULWTXOKIJHPYCL-ZDUSSCGKSA-N -1 3 351.374 0.769 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCN1c1ncccn1 ZINC000826448408 607714710 /nfs/dbraw/zinc/71/47/10/607714710.db2.gz ULWTXOKIJHPYCL-ZDUSSCGKSA-N -1 3 351.374 0.769 20 50 FCGDHM COc1ccc(NC(=O)C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826209411 607725654 /nfs/dbraw/zinc/72/56/54/607725654.db2.gz APGQNEXYEZKPMY-UHFFFAOYSA-N -1 3 353.342 0.957 20 50 FCGDHM COc1ccc(NC(=O)C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826209411 607725655 /nfs/dbraw/zinc/72/56/55/607725655.db2.gz APGQNEXYEZKPMY-UHFFFAOYSA-N -1 3 353.342 0.957 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C1CCC2(CC1)NC(=O)NC2=O ZINC000826482032 607726821 /nfs/dbraw/zinc/72/68/21/607726821.db2.gz PUEOTFUNGBETAX-UHFFFAOYSA-N -1 3 370.373 0.078 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C1CCC2(CC1)NC(=O)NC2=O ZINC000826482032 607726822 /nfs/dbraw/zinc/72/68/22/607726822.db2.gz PUEOTFUNGBETAX-UHFFFAOYSA-N -1 3 370.373 0.078 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000826447927 607730410 /nfs/dbraw/zinc/73/04/10/607730410.db2.gz BFTAOAUZMTWNFP-SNVBAGLBSA-N -1 3 353.346 0.086 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 ZINC000826447927 607730412 /nfs/dbraw/zinc/73/04/12/607730412.db2.gz BFTAOAUZMTWNFP-SNVBAGLBSA-N -1 3 353.346 0.086 20 50 FCGDHM CC(C)NC(=O)N1CCC[C@H]1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824304544 607730549 /nfs/dbraw/zinc/73/05/49/607730549.db2.gz AGUOZUHBHJXMEI-ZDUSSCGKSA-N -1 3 358.406 0.892 20 50 FCGDHM CC(C)NC(=O)N1CCC[C@H]1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824304544 607730550 /nfs/dbraw/zinc/73/05/50/607730550.db2.gz AGUOZUHBHJXMEI-ZDUSSCGKSA-N -1 3 358.406 0.892 20 50 FCGDHM C[C@@]12CCC(=O)N1[C@@H](C(=O)NNc1cccc(-c3nnn[n-]3)c1)CS2 ZINC000824851937 607731032 /nfs/dbraw/zinc/73/10/32/607731032.db2.gz FGAADGLPNZEZCU-IAQYHMDHSA-N -1 3 359.415 0.764 20 50 FCGDHM C[C@@]12CCC(=O)N1[C@@H](C(=O)NNc1cccc(-c3nn[n-]n3)c1)CS2 ZINC000824851937 607731034 /nfs/dbraw/zinc/73/10/34/607731034.db2.gz FGAADGLPNZEZCU-IAQYHMDHSA-N -1 3 359.415 0.764 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nnn[n-]2)cc1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000823277874 606776052 /nfs/dbraw/zinc/77/60/52/606776052.db2.gz ZXFXEDWVWSUBNG-MJBXVCDLSA-N -1 3 371.401 0.768 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000823277874 606776054 /nfs/dbraw/zinc/77/60/54/606776054.db2.gz ZXFXEDWVWSUBNG-MJBXVCDLSA-N -1 3 371.401 0.768 20 50 FCGDHM CCN(CC(=O)NC)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825394417 607939012 /nfs/dbraw/zinc/93/90/12/607939012.db2.gz CKMRXQUDDZGAMA-WUXMJOGZSA-N -1 3 356.390 0.015 20 50 FCGDHM CCN(CC(=O)NC)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825394417 607939013 /nfs/dbraw/zinc/93/90/13/607939013.db2.gz CKMRXQUDDZGAMA-WUXMJOGZSA-N -1 3 356.390 0.015 20 50 FCGDHM O=C(CN1CCCSCC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826411459 608040737 /nfs/dbraw/zinc/04/07/37/608040737.db2.gz ZEMMFRSPSPBHJW-UHFFFAOYSA-N -1 3 361.431 0.067 20 50 FCGDHM O=C(CN1CCCSCC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826411459 608040738 /nfs/dbraw/zinc/04/07/38/608040738.db2.gz ZEMMFRSPSPBHJW-UHFFFAOYSA-N -1 3 361.431 0.067 20 50 FCGDHM O=C(CN1CC[C@H](C(F)F)C1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826410206 608044572 /nfs/dbraw/zinc/04/45/72/608044572.db2.gz GIWQUHPYYDYIFV-NSHDSACASA-N -1 3 365.344 0.215 20 50 FCGDHM O=C(CN1CC[C@H](C(F)F)C1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826410206 608044573 /nfs/dbraw/zinc/04/45/73/608044573.db2.gz GIWQUHPYYDYIFV-NSHDSACASA-N -1 3 365.344 0.215 20 50 FCGDHM CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825034360 608068616 /nfs/dbraw/zinc/06/86/16/608068616.db2.gz IHYLUWATDRSLGO-RISCZKNCSA-N -1 3 373.417 0.186 20 50 FCGDHM CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825034360 608068617 /nfs/dbraw/zinc/06/86/17/608068617.db2.gz IHYLUWATDRSLGO-RISCZKNCSA-N -1 3 373.417 0.186 20 50 FCGDHM CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000825034358 608068658 /nfs/dbraw/zinc/06/86/58/608068658.db2.gz IHYLUWATDRSLGO-BXUZGUMPSA-N -1 3 373.417 0.186 20 50 FCGDHM CCC(=O)NNC(=O)[C@@H](C)N1CCO[C@@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000825034358 608068659 /nfs/dbraw/zinc/06/86/59/608068659.db2.gz IHYLUWATDRSLGO-BXUZGUMPSA-N -1 3 373.417 0.186 20 50 FCGDHM CC(=NNC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948664 608094361 /nfs/dbraw/zinc/09/43/61/608094361.db2.gz UDUGUBTUFRTRRC-MRVPVSSYSA-N -1 3 369.432 0.139 20 50 FCGDHM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)CN(C)[C@H]2CCSC2)o1 ZINC000824358162 608120502 /nfs/dbraw/zinc/12/05/02/608120502.db2.gz AORVWYMRKSPRAN-VIFPVBQESA-N -1 3 366.451 0.859 20 50 FCGDHM CC(C)c1nc(-c2nn[n-]n2)c(NNC(=O)CN(C)[C@H]2CCSC2)o1 ZINC000824358162 608120503 /nfs/dbraw/zinc/12/05/03/608120503.db2.gz AORVWYMRKSPRAN-VIFPVBQESA-N -1 3 366.451 0.859 20 50 FCGDHM O=C(NNC(=O)[C@@H](O)CCc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000826444741 608199228 /nfs/dbraw/zinc/19/92/28/608199228.db2.gz SAUYREWTMYDMDW-HNNXBMFYSA-N -1 3 366.381 0.621 20 50 FCGDHM O=C(NNC(=O)[C@@H](O)CCc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444741 608199229 /nfs/dbraw/zinc/19/92/29/608199229.db2.gz SAUYREWTMYDMDW-HNNXBMFYSA-N -1 3 366.381 0.621 20 50 FCGDHM Cn1cc(/C=C(/C#N)C(=O)c2cccc(-c3nn[n-]n3)c2)c(=O)n(C)c1=O ZINC000826360086 608215395 /nfs/dbraw/zinc/21/53/95/608215395.db2.gz XJGKVSLRTXXJGH-GHXNOFRVSA-N -1 3 363.337 0.054 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@@](C)(O)C2)cc(-c2nnn[n-]2)n1C ZINC000826235518 608385424 /nfs/dbraw/zinc/38/54/24/608385424.db2.gz LHILWGAIUHHGEQ-SDSFWRRZSA-N -1 3 355.402 0.794 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@@](C)(O)C2)cc(-c2nn[n-]n2)n1C ZINC000826235518 608385426 /nfs/dbraw/zinc/38/54/26/608385426.db2.gz LHILWGAIUHHGEQ-SDSFWRRZSA-N -1 3 355.402 0.794 20 50 FCGDHM CCC(=O)NNC(=O)[C@H](C)N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825033959 608463806 /nfs/dbraw/zinc/46/38/06/608463806.db2.gz AUAUZSLZLFFEID-LBPRGKRZSA-N -1 3 369.429 0.902 20 50 FCGDHM CCC(=O)NNC(=O)[C@H](C)N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000825033959 608463810 /nfs/dbraw/zinc/46/38/10/608463810.db2.gz AUAUZSLZLFFEID-LBPRGKRZSA-N -1 3 369.429 0.902 20 50 FCGDHM C=CC[C@H](CO)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000823888880 608561582 /nfs/dbraw/zinc/56/15/82/608561582.db2.gz ZKZIZRKEYYIOOL-JVXNRYDGSA-N -1 3 355.402 0.721 20 50 FCGDHM C=CC[C@H](CO)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000823888880 608561583 /nfs/dbraw/zinc/56/15/83/608561583.db2.gz ZKZIZRKEYYIOOL-JVXNRYDGSA-N -1 3 355.402 0.721 20 50 FCGDHM Cc1[nH]c(=O)c(-c2nnn[n-]2)c(C)c1CCC(=O)NNc1ccncc1 ZINC000826233039 609171986 /nfs/dbraw/zinc/17/19/86/609171986.db2.gz RKENSUMLXLFEMZ-UHFFFAOYSA-N -1 3 354.374 0.477 20 50 FCGDHM Cc1cc(C(=O)NNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(C)o1 ZINC000826259963 609183868 /nfs/dbraw/zinc/18/38/68/609183868.db2.gz ONMPSBLXSZNGHE-CYBMUJFWSA-N -1 3 356.342 0.571 20 50 FCGDHM Cc1cc(C(=O)NNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(C)o1 ZINC000826259963 609183869 /nfs/dbraw/zinc/18/38/69/609183869.db2.gz ONMPSBLXSZNGHE-CYBMUJFWSA-N -1 3 356.342 0.571 20 50 FCGDHM O=C([N-]NC(=O)[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)c1ccccc1F ZINC000826444905 609184422 /nfs/dbraw/zinc/18/44/22/609184422.db2.gz YXRIUYPGFQHOPL-ZDUSSCGKSA-N -1 3 356.317 0.500 20 50 FCGDHM C[C@@](O)(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824669708 609223846 /nfs/dbraw/zinc/22/38/46/609223846.db2.gz GUUDTPKLZXPFTJ-GOSISDBHSA-N -1 3 366.381 0.926 20 50 FCGDHM C[C@@](O)(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824669708 609223848 /nfs/dbraw/zinc/22/38/48/609223848.db2.gz GUUDTPKLZXPFTJ-GOSISDBHSA-N -1 3 366.381 0.926 20 50 FCGDHM COc1ccccc1C(=O)NNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826218108 609227149 /nfs/dbraw/zinc/22/71/49/609227149.db2.gz PHWQYAXBGNBRJR-CQSZACIVSA-N -1 3 368.353 0.370 20 50 FCGDHM Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC000826265237 609286537 /nfs/dbraw/zinc/28/65/37/609286537.db2.gz QSYYGUVQYPFPQW-UHFFFAOYSA-N -1 3 374.792 0.795 20 50 FCGDHM Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC000826265237 609286539 /nfs/dbraw/zinc/28/65/39/609286539.db2.gz QSYYGUVQYPFPQW-UHFFFAOYSA-N -1 3 374.792 0.795 20 50 FCGDHM CCC1(C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)CCOCC1 ZINC000825164580 609408243 /nfs/dbraw/zinc/40/82/43/609408243.db2.gz DIHHCIIDFLTTRL-UHFFFAOYSA-N -1 3 374.401 0.600 20 50 FCGDHM Cn1c(CC(=O)NNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)nc2ccccc21 ZINC000826354999 609408826 /nfs/dbraw/zinc/40/88/26/609408826.db2.gz FXAJVLPUMSIHLA-UHFFFAOYSA-N -1 3 365.357 0.085 20 50 FCGDHM Cn1c(CC(=O)NNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)nc2ccccc21 ZINC000826354999 609408828 /nfs/dbraw/zinc/40/88/28/609408828.db2.gz FXAJVLPUMSIHLA-UHFFFAOYSA-N -1 3 365.357 0.085 20 50 FCGDHM Cc1nc2n(n1)C[C@@H](NC(=O)NNc1cccc(-c3nnn[n-]3)c1)CC2 ZINC000737489293 945082702 /nfs/dbraw/zinc/08/27/02/945082702.db2.gz HRABICBTKSXEHJ-LBPRGKRZSA-N -1 3 354.378 0.408 20 50 FCGDHM Cc1nc2n(n1)C[C@@H](NC(=O)NNc1cccc(-c3nn[n-]n3)c1)CC2 ZINC000737489293 945082711 /nfs/dbraw/zinc/08/27/11/945082711.db2.gz HRABICBTKSXEHJ-LBPRGKRZSA-N -1 3 354.378 0.408 20 50 FCGDHM Cc1nccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000737501731 945084347 /nfs/dbraw/zinc/08/43/47/945084347.db2.gz SRFPIJPYGNISHB-UHFFFAOYSA-N -1 3 353.346 0.109 20 50 FCGDHM Cc1nccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000737501731 945084356 /nfs/dbraw/zinc/08/43/56/945084356.db2.gz SRFPIJPYGNISHB-UHFFFAOYSA-N -1 3 353.346 0.109 20 50 FCGDHM Cc1noc([C@H](C)NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000737532625 945089032 /nfs/dbraw/zinc/08/90/32/945089032.db2.gz CKOQYKMFRWMVML-ZETCQYMHSA-N -1 3 357.334 0.263 20 50 FCGDHM Cc1noc([C@H](C)NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000737532625 945089037 /nfs/dbraw/zinc/08/90/37/945089037.db2.gz CKOQYKMFRWMVML-ZETCQYMHSA-N -1 3 357.334 0.263 20 50 FCGDHM O=C(CCc1cccnc1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000737860598 945141586 /nfs/dbraw/zinc/14/15/86/945141586.db2.gz KGNUYKQNRJZGDP-UHFFFAOYSA-N -1 3 367.369 0.421 20 50 FCGDHM O=C(CNC(=O)c1ccco1)NNC(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000737891178 945146301 /nfs/dbraw/zinc/14/63/01/945146301.db2.gz HWGNGPAPWNEGPZ-UHFFFAOYSA-N -1 3 370.329 0.042 20 50 FCGDHM O=C(CNC(=O)c1ccco1)NNC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000737891178 945146306 /nfs/dbraw/zinc/14/63/06/945146306.db2.gz HWGNGPAPWNEGPZ-UHFFFAOYSA-N -1 3 370.329 0.042 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1cccnc1 ZINC000737918347 945151002 /nfs/dbraw/zinc/15/10/02/945151002.db2.gz BVYZRYVWCQDMKZ-UHFFFAOYSA-N -1 3 353.342 0.031 20 50 FCGDHM O=C(CSC[C@@H]1CCCO1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737932153 945160340 /nfs/dbraw/zinc/16/03/40/945160340.db2.gz KAGYSOFMSIRXCF-LBPRGKRZSA-N -1 3 362.415 0.540 20 50 FCGDHM O=C(CSC[C@@H]1CCCO1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737932153 945160346 /nfs/dbraw/zinc/16/03/46/945160346.db2.gz KAGYSOFMSIRXCF-LBPRGKRZSA-N -1 3 362.415 0.540 20 50 FCGDHM O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737966800 945166868 /nfs/dbraw/zinc/16/68/68/945166868.db2.gz GBVPEJNNSUCRCM-UHFFFAOYSA-N -1 3 367.325 0.779 20 50 FCGDHM O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737966800 945166870 /nfs/dbraw/zinc/16/68/70/945166870.db2.gz GBVPEJNNSUCRCM-UHFFFAOYSA-N -1 3 367.325 0.779 20 50 FCGDHM O=C(NCC(F)(F)F)NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000738039465 945174820 /nfs/dbraw/zinc/17/48/20/945174820.db2.gz POFKSHHOZHUAJU-UHFFFAOYSA-N -1 3 353.268 0.710 20 50 FCGDHM O=C(NCC(F)(F)F)NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000738039465 945174824 /nfs/dbraw/zinc/17/48/24/945174824.db2.gz POFKSHHOZHUAJU-UHFFFAOYSA-N -1 3 353.268 0.710 20 50 FCGDHM O=C(NC[C@H](O)c1ccsc1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738042238 945175363 /nfs/dbraw/zinc/17/53/63/945175363.db2.gz XLZGHULTJXTWGN-LBPRGKRZSA-N -1 3 373.398 0.606 20 50 FCGDHM O=C(NC[C@H](O)c1ccsc1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738042238 945175374 /nfs/dbraw/zinc/17/53/74/945175374.db2.gz XLZGHULTJXTWGN-LBPRGKRZSA-N -1 3 373.398 0.606 20 50 FCGDHM O=C(NCC[C@H](O)C(F)(F)F)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738056882 945181019 /nfs/dbraw/zinc/18/10/19/945181019.db2.gz VWDKTVNQQDYAGQ-VIFPVBQESA-N -1 3 373.295 0.124 20 50 FCGDHM O=C(NCC[C@H](O)C(F)(F)F)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738056882 945181029 /nfs/dbraw/zinc/18/10/29/945181029.db2.gz VWDKTVNQQDYAGQ-VIFPVBQESA-N -1 3 373.295 0.124 20 50 FCGDHM O=C(NCCOC1CCCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738081284 945182075 /nfs/dbraw/zinc/18/20/75/945182075.db2.gz AHGDDJDSXGKZMR-UHFFFAOYSA-N -1 3 359.390 0.770 20 50 FCGDHM O=C(NCCOC1CCCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738081284 945182083 /nfs/dbraw/zinc/18/20/83/945182083.db2.gz AHGDDJDSXGKZMR-UHFFFAOYSA-N -1 3 359.390 0.770 20 50 FCGDHM O=C(NCCc1cccnc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738088997 945185699 /nfs/dbraw/zinc/18/56/99/945185699.db2.gz SGDKANBYDPUVPL-UHFFFAOYSA-N -1 3 352.358 0.448 20 50 FCGDHM O=C(NCCc1cccnc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738088997 945185703 /nfs/dbraw/zinc/18/57/03/945185703.db2.gz SGDKANBYDPUVPL-UHFFFAOYSA-N -1 3 352.358 0.448 20 50 FCGDHM O=C(NNC(=O)[C@H]1Cc2cc(F)ccc2O1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738129639 945203309 /nfs/dbraw/zinc/20/33/09/945203309.db2.gz FVALPJDXFILMSE-CQSZACIVSA-N -1 3 368.328 0.771 20 50 FCGDHM O=C(NNC(=O)[C@H]1Cc2cc(F)ccc2O1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738129639 945203315 /nfs/dbraw/zinc/20/33/15/945203315.db2.gz FVALPJDXFILMSE-CQSZACIVSA-N -1 3 368.328 0.771 20 50 FCGDHM O=C(NN=Cc1cnc2ccc(-c3nnn[n-]3)cn12)[C@@H]1Cc2ccccc2O1 ZINC000738130238 945208829 /nfs/dbraw/zinc/20/88/29/945208829.db2.gz OFDVUSITSQQAGF-HNNXBMFYSA-N -1 3 374.364 0.968 20 50 FCGDHM O=C(NN=Cc1cnc2ccc(-c3nn[n-]n3)cn12)[C@@H]1Cc2ccccc2O1 ZINC000738130238 945208836 /nfs/dbraw/zinc/20/88/36/945208836.db2.gz OFDVUSITSQQAGF-HNNXBMFYSA-N -1 3 374.364 0.968 20 50 FCGDHM O=C(NNC(=S)NCCc1ccccn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000738134890 945225393 /nfs/dbraw/zinc/22/53/93/945225393.db2.gz XTNQUNSMKGWCFD-UHFFFAOYSA-N -1 3 368.426 0.613 20 50 FCGDHM O=C(NNC(=S)NCCc1ccccn1)c1ccc(-c2nn[n-]n2)cc1 ZINC000738134890 945225404 /nfs/dbraw/zinc/22/54/04/945225404.db2.gz XTNQUNSMKGWCFD-UHFFFAOYSA-N -1 3 368.426 0.613 20 50 FCGDHM CC(=NNC(=O)C=C1CC(=O)NC(=O)N1)c1cccc(-c2nnn[n-]2)c1 ZINC000819772740 945286025 /nfs/dbraw/zinc/28/60/25/945286025.db2.gz KUQJHRHNCDGDSF-UHFFFAOYSA-N -1 3 354.330 0.151 20 50 FCGDHM CC(=NNC(=O)C=C1CC(=O)NC(=O)N1)c1cccc(-c2nn[n-]n2)c1 ZINC000819772740 945286030 /nfs/dbraw/zinc/28/60/30/945286030.db2.gz KUQJHRHNCDGDSF-UHFFFAOYSA-N -1 3 354.330 0.151 20 50 FCGDHM C#CCSCCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000735387665 944644909 /nfs/dbraw/zinc/64/49/09/944644909.db2.gz DUHNJPKJUVAPSV-JYRVWZFOSA-N -1 3 355.427 0.903 20 50 FCGDHM C#CCSCCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000735387665 944644918 /nfs/dbraw/zinc/64/49/18/944644918.db2.gz DUHNJPKJUVAPSV-JYRVWZFOSA-N -1 3 355.427 0.903 20 50 FCGDHM CC(C)NC(=O)NNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735888799 944711304 /nfs/dbraw/zinc/71/13/04/944711304.db2.gz RGPKYCAFPSCIJI-CYBMUJFWSA-N -1 3 358.406 0.574 20 50 FCGDHM CC(C)n1ccc(CNC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000735966541 944726791 /nfs/dbraw/zinc/72/67/91/944726791.db2.gz SWCIYCOFVODHNM-UHFFFAOYSA-N -1 3 369.389 0.788 20 50 FCGDHM CC(C)n1ccc(CNC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000735966541 944726796 /nfs/dbraw/zinc/72/67/96/944726796.db2.gz SWCIYCOFVODHNM-UHFFFAOYSA-N -1 3 369.389 0.788 20 50 FCGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)Nc1ccncc1 ZINC000736170883 944753703 /nfs/dbraw/zinc/75/37/03/944753703.db2.gz YTWCZJYRUDILBR-SNVBAGLBSA-N -1 3 368.357 0.304 20 50 FCGDHM CC1(C)C[C@H]1CNC(=O)NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000736211245 944763501 /nfs/dbraw/zinc/76/35/01/944763501.db2.gz MXRBARRYNWLTNW-JTQLQIEISA-N -1 3 359.390 0.622 20 50 FCGDHM CC1(C)C[C@H]1CNC(=O)NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000736211245 944763506 /nfs/dbraw/zinc/76/35/06/944763506.db2.gz MXRBARRYNWLTNW-JTQLQIEISA-N -1 3 359.390 0.622 20 50 FCGDHM C[C@@H]1CCCN(S(=O)(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000736276446 944784816 /nfs/dbraw/zinc/78/48/16/944784816.db2.gz HVYJHMLTIRBYTC-SNVBAGLBSA-N -1 3 365.419 0.078 20 50 FCGDHM C[C@@H]1CCCN(S(=O)(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000736276446 944784825 /nfs/dbraw/zinc/78/48/25/944784825.db2.gz HVYJHMLTIRBYTC-SNVBAGLBSA-N -1 3 365.419 0.078 20 50 FCGDHM CCCN(CC(=O)NNC(=O)C1CC1)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000736468357 944829202 /nfs/dbraw/zinc/82/92/02/944829202.db2.gz AFVZBYSNXBRYMM-UHFFFAOYSA-N -1 3 357.418 0.636 20 50 FCGDHM CCCOC(=O)CCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736486959 944833291 /nfs/dbraw/zinc/83/32/91/944833291.db2.gz BYAKFCPCLIQIQS-UHFFFAOYSA-N -1 3 361.362 0.154 20 50 FCGDHM CCCOC(=O)CCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736486959 944833308 /nfs/dbraw/zinc/83/33/08/944833308.db2.gz BYAKFCPCLIQIQS-UHFFFAOYSA-N -1 3 361.362 0.154 20 50 FCGDHM CCCn1nccc1NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736503169 944834958 /nfs/dbraw/zinc/83/49/58/944834958.db2.gz SSTKUVVWNVAWED-UHFFFAOYSA-N -1 3 355.362 0.940 20 50 FCGDHM CCCn1nccc1NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736503169 944834962 /nfs/dbraw/zinc/83/49/62/944834962.db2.gz SSTKUVVWNVAWED-UHFFFAOYSA-N -1 3 355.362 0.940 20 50 FCGDHM CCOC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736587006 944849660 /nfs/dbraw/zinc/84/96/60/944849660.db2.gz SKDMSSJIFVVHCE-GWHHBTOMSA-N -1 3 358.358 0.915 20 50 FCGDHM CCOC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736587006 944849667 /nfs/dbraw/zinc/84/96/67/944849667.db2.gz SKDMSSJIFVVHCE-GWHHBTOMSA-N -1 3 358.358 0.915 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736784075 944890633 /nfs/dbraw/zinc/89/06/33/944890633.db2.gz PLCCJXNLNRXCBR-UHFFFAOYSA-N -1 3 351.370 0.764 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736784075 944890638 /nfs/dbraw/zinc/89/06/38/944890638.db2.gz PLCCJXNLNRXCBR-UHFFFAOYSA-N -1 3 351.370 0.764 20 50 FCGDHM CN(C[C@H]1CCCOC1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736791362 944891595 /nfs/dbraw/zinc/89/15/95/944891595.db2.gz LZFVUPKXCAVOHT-LLVKDONJSA-N -1 3 359.390 0.580 20 50 FCGDHM CN(C[C@H]1CCCOC1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736791362 944891605 /nfs/dbraw/zinc/89/16/05/944891605.db2.gz LZFVUPKXCAVOHT-LLVKDONJSA-N -1 3 359.390 0.580 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCCn2cncn2)cc(-c2nn[n-]n2)n1C ZINC000737212614 944995217 /nfs/dbraw/zinc/99/52/17/944995217.db2.gz LGRGGJXYLJGHPV-LFYBBSHMSA-N -1 3 353.346 0.256 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC2(O)CCCC2)cc(-c2nnn[n-]2)n1C ZINC000737213504 945002587 /nfs/dbraw/zinc/00/25/87/945002587.db2.gz USDASYWRTKAKMT-QPEQYQDCSA-N -1 3 355.402 0.842 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC2(O)CCCC2)cc(-c2nn[n-]n2)n1C ZINC000737213504 945002598 /nfs/dbraw/zinc/00/25/98/945002598.db2.gz USDASYWRTKAKMT-QPEQYQDCSA-N -1 3 355.402 0.842 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCC3(C2)OCCO3)cc(-c2nnn[n-]2)n1C ZINC000737213680 945005140 /nfs/dbraw/zinc/00/51/40/945005140.db2.gz VRBMHWUAPBBPRD-NTUHNPAUSA-N -1 3 369.385 0.396 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCC3(C2)OCCO3)cc(-c2nn[n-]n2)n1C ZINC000737213680 945005152 /nfs/dbraw/zinc/00/51/52/945005152.db2.gz VRBMHWUAPBBPRD-NTUHNPAUSA-N -1 3 369.385 0.396 20 50 FCGDHM C[C@@H](CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000820225280 945389326 /nfs/dbraw/zinc/38/93/26/945389326.db2.gz FLQQKYSJGXIOFR-JTQLQIEISA-N -1 3 372.385 0.607 20 50 FCGDHM C[C@@H](CC(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000820225280 945389336 /nfs/dbraw/zinc/38/93/36/945389336.db2.gz FLQQKYSJGXIOFR-JTQLQIEISA-N -1 3 372.385 0.607 20 50 FCGDHM C[C@H](Cc1ccncc1)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820298867 945409850 /nfs/dbraw/zinc/40/98/50/945409850.db2.gz BSEUBBMJFPOGJD-LLVKDONJSA-N -1 3 366.385 0.837 20 50 FCGDHM C[C@H](Cc1ccncc1)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820298867 945409858 /nfs/dbraw/zinc/40/98/58/945409858.db2.gz BSEUBBMJFPOGJD-LLVKDONJSA-N -1 3 366.385 0.837 20 50 FCGDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@]1(C)CCCO1 ZINC000820528242 945474104 /nfs/dbraw/zinc/47/41/04/945474104.db2.gz MYUKNZFEDOWHQN-HWPZZCPQSA-N -1 3 360.374 0.351 20 50 FCGDHM CC1(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000820578219 945490359 /nfs/dbraw/zinc/49/03/59/945490359.db2.gz YDXODFLERLJTQI-UHFFFAOYSA-N -1 3 358.358 0.361 20 50 FCGDHM CC1(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000820578219 945490363 /nfs/dbraw/zinc/49/03/63/945490363.db2.gz YDXODFLERLJTQI-UHFFFAOYSA-N -1 3 358.358 0.361 20 50 FCGDHM CCC(=CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)CC ZINC000820831981 945565934 /nfs/dbraw/zinc/56/59/34/945565934.db2.gz FXDFFCDRTFYZMW-UHFFFAOYSA-N -1 3 372.385 0.917 20 50 FCGDHM CCC(=CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)CC ZINC000820831981 945565938 /nfs/dbraw/zinc/56/59/38/945565938.db2.gz FXDFFCDRTFYZMW-UHFFFAOYSA-N -1 3 372.385 0.917 20 50 FCGDHM CCC1(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000820945776 945594239 /nfs/dbraw/zinc/59/42/39/945594239.db2.gz VKEDSZAKPAZZPC-UHFFFAOYSA-N -1 3 372.385 0.751 20 50 FCGDHM CCC1(C(=O)OCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000820945776 945594243 /nfs/dbraw/zinc/59/42/43/945594243.db2.gz VKEDSZAKPAZZPC-UHFFFAOYSA-N -1 3 372.385 0.751 20 50 FCGDHM CC[C@H]1CC[C@@H](C(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820971265 945600783 /nfs/dbraw/zinc/60/07/83/945600783.db2.gz AHZCPGDBVISCQV-AAEUAGOBSA-N -1 3 360.374 0.351 20 50 FCGDHM CC/C=C(/C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821001923 945608091 /nfs/dbraw/zinc/60/80/91/945608091.db2.gz TVVNZYAPCSYZMJ-WMZJFQQLSA-N -1 3 358.358 0.527 20 50 FCGDHM CC/C=C(/C)C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821001923 945608096 /nfs/dbraw/zinc/60/80/96/945608096.db2.gz TVVNZYAPCSYZMJ-WMZJFQQLSA-N -1 3 358.358 0.527 20 50 FCGDHM CCC/C(C)=C/C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821008125 945612215 /nfs/dbraw/zinc/61/22/15/945612215.db2.gz HDQZYLFMECWIMX-DHZHZOJOSA-N -1 3 372.385 0.917 20 50 FCGDHM CCC/C(C)=C/C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821008125 945612221 /nfs/dbraw/zinc/61/22/21/945612221.db2.gz HDQZYLFMECWIMX-DHZHZOJOSA-N -1 3 372.385 0.917 20 50 FCGDHM CCOC(=O)C[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821325852 945670202 /nfs/dbraw/zinc/67/02/02/945670202.db2.gz PEGTUOJSVVRGLD-SRMXYGTFSA-N -1 3 371.401 0.879 20 50 FCGDHM CCOC(=O)C[C@@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821325852 945670205 /nfs/dbraw/zinc/67/02/05/945670205.db2.gz PEGTUOJSVVRGLD-SRMXYGTFSA-N -1 3 371.401 0.879 20 50 FCGDHM CCO[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000821368076 945683614 /nfs/dbraw/zinc/68/36/14/945683614.db2.gz QVBZKOGQDAJWHO-CQSZACIVSA-N -1 3 373.417 0.129 20 50 FCGDHM CCO[C@@H]1CCCN(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000821368076 945683622 /nfs/dbraw/zinc/68/36/22/945683622.db2.gz QVBZKOGQDAJWHO-CQSZACIVSA-N -1 3 373.417 0.129 20 50 FCGDHM CN(C)c1ccc(NC(=O)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000821589245 945727908 /nfs/dbraw/zinc/72/79/08/945727908.db2.gz FCPVHBRMYGVOLI-UHFFFAOYSA-N -1 3 369.389 0.738 20 50 FCGDHM CN(C)c1ccc(NC(=O)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000821589245 945727913 /nfs/dbraw/zinc/72/79/13/945727913.db2.gz FCPVHBRMYGVOLI-UHFFFAOYSA-N -1 3 369.389 0.738 20 50 FCGDHM COC(=O)C(C)(C)CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821638611 945765965 /nfs/dbraw/zinc/76/59/65/945765965.db2.gz CUWFNNVEMFVKDV-UHFFFAOYSA-N -1 3 361.362 0.010 20 50 FCGDHM COC(=O)C(C)(C)CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821638611 945765970 /nfs/dbraw/zinc/76/59/70/945765970.db2.gz CUWFNNVEMFVKDV-UHFFFAOYSA-N -1 3 361.362 0.010 20 50 FCGDHM COC(=O)C[C@H]1CCCN1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821659056 945783120 /nfs/dbraw/zinc/78/31/20/945783120.db2.gz QGRDKUIFSZCPLF-GFCCVEGCSA-N -1 3 373.373 0.249 20 50 FCGDHM COC(=O)C[C@H]1CCCN1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821659056 945783127 /nfs/dbraw/zinc/78/31/27/945783127.db2.gz QGRDKUIFSZCPLF-GFCCVEGCSA-N -1 3 373.373 0.249 20 50 FCGDHM COC(=O)C[C@@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821658791 945783222 /nfs/dbraw/zinc/78/32/22/945783222.db2.gz IINUNCXVBFFREX-LBPRGKRZSA-N -1 3 373.373 0.249 20 50 FCGDHM COC(=O)C[C@@H]1CCCN1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821658791 945783224 /nfs/dbraw/zinc/78/32/24/945783224.db2.gz IINUNCXVBFFREX-LBPRGKRZSA-N -1 3 373.373 0.249 20 50 FCGDHM COCCC1(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CC1 ZINC000821686605 945815071 /nfs/dbraw/zinc/81/50/71/945815071.db2.gz XZCXMVUIDLTJGG-UHFFFAOYSA-N -1 3 359.390 0.627 20 50 FCGDHM COCCC1(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC000821686605 945815084 /nfs/dbraw/zinc/81/50/84/945815084.db2.gz XZCXMVUIDLTJGG-UHFFFAOYSA-N -1 3 359.390 0.627 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@](C)(O)C2CC2)cc(-c2nnn[n-]2)n1C ZINC000822026961 945926623 /nfs/dbraw/zinc/92/66/23/945926623.db2.gz BQHUOVZPZBHTBP-NYDKFZDJSA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@](C)(O)C2CC2)cc(-c2nn[n-]n2)n1C ZINC000822026961 945926632 /nfs/dbraw/zinc/92/66/32/945926632.db2.gz BQHUOVZPZBHTBP-NYDKFZDJSA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)C(=O)N(C)C)cc(-c2nnn[n-]2)n1C ZINC000822027490 945933552 /nfs/dbraw/zinc/93/35/52/945933552.db2.gz HIKMHIUEVIULHS-GWHHBTOMSA-N -1 3 357.374 0.441 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)O[C@H](C)C(=O)N(C)C)cc(-c2nn[n-]n2)n1C ZINC000822027490 945933562 /nfs/dbraw/zinc/93/35/62/945933562.db2.gz HIKMHIUEVIULHS-GWHHBTOMSA-N -1 3 357.374 0.441 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)C(=O)NC2CC2)cc(-c2nnn[n-]2)n1C ZINC000822027835 945936620 /nfs/dbraw/zinc/93/66/20/945936620.db2.gz JYALEZAQHMMJBR-PQTFEYQYSA-N -1 3 369.385 0.631 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)O[C@@H](C)C(=O)NC2CC2)cc(-c2nn[n-]n2)n1C ZINC000822027835 945936631 /nfs/dbraw/zinc/93/66/31/945936631.db2.gz JYALEZAQHMMJBR-PQTFEYQYSA-N -1 3 369.385 0.631 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCc2ncc[nH]2)cc(-c2nn[n-]n2)n1C ZINC000822028566 945943326 /nfs/dbraw/zinc/94/33/26/945943326.db2.gz PWOQSILCULGFDD-KPKJPENVSA-N -1 3 351.374 0.503 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCC[C@H]2CCOC2=O)cc(-c2nnn[n-]2)n1C ZINC000822028426 945944413 /nfs/dbraw/zinc/94/44/13/945944413.db2.gz NZLXKKILZPRPSM-ZTFCMROMSA-N -1 3 370.369 0.917 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)OCC[C@H]2CCOC2=O)cc(-c2nn[n-]n2)n1C ZINC000822028426 945944421 /nfs/dbraw/zinc/94/44/21/945944421.db2.gz NZLXKKILZPRPSM-ZTFCMROMSA-N -1 3 370.369 0.917 20 50 FCGDHM Cc1occc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000822554212 946124406 /nfs/dbraw/zinc/12/44/06/946124406.db2.gz WWFXDVLYJFITPN-UHFFFAOYSA-N -1 3 370.325 0.386 20 50 FCGDHM Cc1occc1C(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000822554212 946124411 /nfs/dbraw/zinc/12/44/11/946124411.db2.gz WWFXDVLYJFITPN-UHFFFAOYSA-N -1 3 370.325 0.386 20 50 FCGDHM Cn1c(NNC(=O)c2cccc(-c3nnn[n-]3)c2)nc2ccccc2c1=O ZINC000822599324 946133383 /nfs/dbraw/zinc/13/33/83/946133383.db2.gz DFVQCTMFAIUMHR-UHFFFAOYSA-N -1 3 362.353 0.871 20 50 FCGDHM Cn1c(NNC(=O)c2cccc(-c3nn[n-]n3)c2)nc2ccccc2c1=O ZINC000822599324 946133389 /nfs/dbraw/zinc/13/33/89/946133389.db2.gz DFVQCTMFAIUMHR-UHFFFAOYSA-N -1 3 362.353 0.871 20 50 FCGDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)NNC(=O)COc1ccc(F)cc1 ZINC000822645772 946145338 /nfs/dbraw/zinc/14/53/38/946145338.db2.gz OFQVDNKYZRWNKL-UHFFFAOYSA-N -1 3 359.321 0.184 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNC(=O)COc1ccc(F)cc1 ZINC000822645772 946145350 /nfs/dbraw/zinc/14/53/50/946145350.db2.gz OFQVDNKYZRWNKL-UHFFFAOYSA-N -1 3 359.321 0.184 20 50 FCGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNc1nc(=O)c2ccccc2[nH]1 ZINC000822645983 946146793 /nfs/dbraw/zinc/14/67/93/946146793.db2.gz ZQJSVRFYJIPWHJ-UHFFFAOYSA-N -1 3 351.330 0.611 20 50 FCGDHM O=C(CCC(F)(F)F)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822950438 946231274 /nfs/dbraw/zinc/23/12/74/946231274.db2.gz ODQPDCSPVQDRNQ-UHFFFAOYSA-N -1 3 358.280 0.735 20 50 FCGDHM O=C(CCn1cccc1)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000822987128 946247597 /nfs/dbraw/zinc/24/75/97/946247597.db2.gz QPUWBKCQFNIIKX-UHFFFAOYSA-N -1 3 355.358 0.285 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=Cc1cn2cccnc2n1 ZINC000823036352 946284168 /nfs/dbraw/zinc/28/41/68/946284168.db2.gz AGZKETGHSBMPAG-UHFFFAOYSA-N -1 3 363.341 0.439 20 50 FCGDHM O=C(Cc1c[nH]c2ncccc12)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823074080 946303563 /nfs/dbraw/zinc/30/35/63/946303563.db2.gz KGJLYMLPZFLUNE-UHFFFAOYSA-N -1 3 362.353 0.747 20 50 FCGDHM O=C(Cc1c[nH]c2ncccc12)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823074080 946303574 /nfs/dbraw/zinc/30/35/74/946303574.db2.gz KGJLYMLPZFLUNE-UHFFFAOYSA-N -1 3 362.353 0.747 20 50 FCGDHM O=C(NC[C@H]1CCCS1(=O)=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823176788 946337476 /nfs/dbraw/zinc/33/74/76/946337476.db2.gz YQSQMYXHSQTWJZ-LLVKDONJSA-N -1 3 351.392 0.070 20 50 FCGDHM O=C(NC[C@H]1CCCS1(=O)=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823176788 946337488 /nfs/dbraw/zinc/33/74/88/946337488.db2.gz YQSQMYXHSQTWJZ-LLVKDONJSA-N -1 3 351.392 0.070 20 50 FCGDHM O=C(NN=Cc1cc(-c2nnn[n-]2)cs1)c1ccc(-n2cnnn2)cc1 ZINC000823273375 946377203 /nfs/dbraw/zinc/37/72/03/946377203.db2.gz LCNAAWFHZLIGCU-UHFFFAOYSA-N -1 3 366.370 0.668 20 50 FCGDHM O=C(NN=Cc1cc(-c2nn[n-]n2)cs1)c1ccc(-n2cnnn2)cc1 ZINC000823273375 946377208 /nfs/dbraw/zinc/37/72/08/946377208.db2.gz LCNAAWFHZLIGCU-UHFFFAOYSA-N -1 3 366.370 0.668 20 50 FCGDHM C=CCS(=O)(=O)CCNC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823932466 946521234 /nfs/dbraw/zinc/52/12/34/946521234.db2.gz ZUHVHCFNVLLODG-UHFFFAOYSA-N -1 3 351.392 0.094 20 50 FCGDHM C=CCS(=O)(=O)CCNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823932466 946521239 /nfs/dbraw/zinc/52/12/39/946521239.db2.gz ZUHVHCFNVLLODG-UHFFFAOYSA-N -1 3 351.392 0.094 20 50 FCGDHM CO[C@@H]1[C@@H](C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1(C)C ZINC000826144042 947453022 /nfs/dbraw/zinc/45/30/22/947453022.db2.gz AHATZYIZMZKZMV-TVYUQYBPSA-N -1 3 373.417 0.870 20 50 FCGDHM CO[C@@H]1[C@@H](C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1(C)C ZINC000826144042 947453028 /nfs/dbraw/zinc/45/30/28/947453028.db2.gz AHATZYIZMZKZMV-TVYUQYBPSA-N -1 3 373.417 0.870 20 50 FCGDHM N#Cc1ncn(CC(=O)NNC(=O)c2ccc(Cl)cc2)c1-c1nnn[n-]1 ZINC000826387948 948192632 /nfs/dbraw/zinc/19/26/32/948192632.db2.gz AVYZOPXAYFKTPV-UHFFFAOYSA-N -1 3 371.748 0.049 20 50 FCGDHM O=C(C=Cc1ccc(O)c(O)c1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826401130 948219384 /nfs/dbraw/zinc/21/93/84/948219384.db2.gz QGMGVHXAMLAPFE-KRXBUXKQSA-N -1 3 366.337 0.752 20 50 FCGDHM O=C(C=Cc1ccc(O)c(O)c1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826401130 948219391 /nfs/dbraw/zinc/21/93/91/948219391.db2.gz QGMGVHXAMLAPFE-KRXBUXKQSA-N -1 3 366.337 0.752 20 50 FCGDHM CC(C)C[C@]1(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCNC1=O ZINC001574166111 950457680 /nfs/dbraw/zinc/45/76/80/950457680.db2.gz MNVXGPGJTXXRQJ-QGZVFWFLSA-N -1 3 371.401 0.180 20 50 FCGDHM CC(C)C[C@]1(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCNC1=O ZINC001574166111 950457690 /nfs/dbraw/zinc/45/76/90/950457690.db2.gz MNVXGPGJTXXRQJ-QGZVFWFLSA-N -1 3 371.401 0.180 20 50 FCGDHM CC(C)C[C@@]1(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCNC1=O ZINC001574166110 950458489 /nfs/dbraw/zinc/45/84/89/950458489.db2.gz MNVXGPGJTXXRQJ-KRWDZBQOSA-N -1 3 371.401 0.180 20 50 FCGDHM CC(C)C[C@@]1(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCNC1=O ZINC001574166110 950458501 /nfs/dbraw/zinc/45/85/01/950458501.db2.gz MNVXGPGJTXXRQJ-KRWDZBQOSA-N -1 3 371.401 0.180 20 50 FCGDHM CCc1sc(C(=O)NNC(=O)CN[C@@]2(CC(=O)[O-])CCOC2)cc1C ZINC001597818047 989450565 /nfs/dbraw/zinc/45/05/65/989450565.db2.gz JROCUKDQNATJAU-MRXNPFEDSA-N -1 3 369.443 0.603 20 50 FCGDHM CC1CCN([C@@H](CNC(=O)NNC(=O)C(=O)[O-])c2cccs2)CC1 ZINC001594421783 999570648 /nfs/dbraw/zinc/57/06/48/999570648.db2.gz BKIZOHFINPZFJC-NSHDSACASA-N -1 3 354.432 0.936 20 50 FCGDHM CC1(C)NC(=O)N(CCCC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1=O ZINC000824811742 607335541 /nfs/dbraw/zinc/33/55/41/607335541.db2.gz BAKYFHCUOQUAFD-UHFFFAOYSA-N -1 3 372.389 0.420 20 50 FCGDHM CC1(C)NC(=O)N(CCCC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1=O ZINC000824811742 607335543 /nfs/dbraw/zinc/33/55/43/607335543.db2.gz BAKYFHCUOQUAFD-UHFFFAOYSA-N -1 3 372.389 0.420 20 50 FCGDHM O=C(Cc1csc(-c2nc[nH]n2)n1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826424074 607340867 /nfs/dbraw/zinc/34/08/67/607340867.db2.gz UXIMYDFWFLRIGS-UHFFFAOYSA-N -1 3 368.386 0.794 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cn(Cc2ccccn2)nn1 ZINC000826447784 607342424 /nfs/dbraw/zinc/34/24/24/607342424.db2.gz WAEYAWDOAWTXCM-UHFFFAOYSA-N -1 3 362.357 0.658 20 50 FCGDHM O=C(CNC(=O)c1ccc(F)cc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826412584 607463591 /nfs/dbraw/zinc/46/35/91/607463591.db2.gz UNYLGBLHDLCTMS-UHFFFAOYSA-N -1 3 355.333 0.879 20 50 FCGDHM O=C(CNC(=O)c1ccc(F)cc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826412584 607463592 /nfs/dbraw/zinc/46/35/92/607463592.db2.gz UNYLGBLHDLCTMS-UHFFFAOYSA-N -1 3 355.333 0.879 20 50 FCGDHM CC[C@@H](SC)C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825160314 607574211 /nfs/dbraw/zinc/57/42/11/607574211.db2.gz ZKWQRDNEDHELKP-LLVKDONJSA-N -1 3 350.404 0.535 20 50 FCGDHM CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000825659660 607682575 /nfs/dbraw/zinc/68/25/75/607682575.db2.gz YHNHTZUOXYSBFE-UHFFFAOYSA-N -1 3 371.357 0.434 20 50 FCGDHM CCOc1ccccc1OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825659660 607682578 /nfs/dbraw/zinc/68/25/78/607682578.db2.gz YHNHTZUOXYSBFE-UHFFFAOYSA-N -1 3 371.357 0.434 20 50 FCGDHM COc1ccccc1OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826220141 607683154 /nfs/dbraw/zinc/68/31/54/607683154.db2.gz DEALWKWSSRHTQJ-UHFFFAOYSA-N -1 3 357.330 0.043 20 50 FCGDHM COc1ccccc1OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826220141 607683156 /nfs/dbraw/zinc/68/31/56/607683156.db2.gz DEALWKWSSRHTQJ-UHFFFAOYSA-N -1 3 357.330 0.043 20 50 FCGDHM O=C(Cn1cnc2ccccc21)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826425616 607683382 /nfs/dbraw/zinc/68/33/82/607683382.db2.gz LMYFGDLOFJEEMY-UHFFFAOYSA-N -1 3 351.330 0.006 20 50 FCGDHM O=C(Cn1cnc2ccccc21)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826425616 607683383 /nfs/dbraw/zinc/68/33/83/607683383.db2.gz LMYFGDLOFJEEMY-UHFFFAOYSA-N -1 3 351.330 0.006 20 50 FCGDHM O=C(CN1C(=O)c2ccccc2C1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826409617 607712312 /nfs/dbraw/zinc/71/23/12/607712312.db2.gz HXSMNLSSRDUHLG-UHFFFAOYSA-N -1 3 363.337 0.606 20 50 FCGDHM O=C(CN1C(=O)c2ccccc2C1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826409617 607712314 /nfs/dbraw/zinc/71/23/14/607712314.db2.gz HXSMNLSSRDUHLG-UHFFFAOYSA-N -1 3 363.337 0.606 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000826448330 607718391 /nfs/dbraw/zinc/71/83/91/607718391.db2.gz QZLKMWTWPOROBU-NXEZZACHSA-N -1 3 369.307 0.767 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC000826448330 607718392 /nfs/dbraw/zinc/71/83/92/607718392.db2.gz QZLKMWTWPOROBU-NXEZZACHSA-N -1 3 369.307 0.767 20 50 FCGDHM C[C@H](C(=O)N(C)CC(=O)NNc1cccc(-c2nnn[n-]2)c1)n1cccn1 ZINC000824040958 607725213 /nfs/dbraw/zinc/72/52/13/607725213.db2.gz VUCJUSBDHQSLSI-LLVKDONJSA-N -1 3 369.389 0.226 20 50 FCGDHM C[C@H](C(=O)N(C)CC(=O)NNc1cccc(-c2nn[n-]n2)c1)n1cccn1 ZINC000824040958 607725214 /nfs/dbraw/zinc/72/52/14/607725214.db2.gz VUCJUSBDHQSLSI-LLVKDONJSA-N -1 3 369.389 0.226 20 50 FCGDHM O=C(Cn1nnc2ccccc2c1=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826425540 607729844 /nfs/dbraw/zinc/72/98/44/607729844.db2.gz IQICNBKWLROLQV-UHFFFAOYSA-N -1 3 363.341 0.115 20 50 FCGDHM O=C(Cn1nnc2ccccc2c1=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826425540 607729846 /nfs/dbraw/zinc/72/98/46/607729846.db2.gz IQICNBKWLROLQV-UHFFFAOYSA-N -1 3 363.341 0.115 20 50 FCGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H]1CNC(=O)C1 ZINC000823519546 606129804 /nfs/dbraw/zinc/12/98/04/606129804.db2.gz HUWPPKJRNUBBGE-LURJTMIESA-N -1 3 355.280 0.465 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@@H]1CNC(=O)C1 ZINC000823519546 606129805 /nfs/dbraw/zinc/12/98/05/606129805.db2.gz HUWPPKJRNUBBGE-LURJTMIESA-N -1 3 355.280 0.465 20 50 FCGDHM Cc1cccnc1C(=O)NN[C@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826308200 607785108 /nfs/dbraw/zinc/78/51/08/607785108.db2.gz OFYKKHYGENICHU-ZDUSSCGKSA-N -1 3 352.358 0.031 20 50 FCGDHM Cc1cccnc1C(=O)NN[C@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826308200 607785109 /nfs/dbraw/zinc/78/51/09/607785109.db2.gz OFYKKHYGENICHU-ZDUSSCGKSA-N -1 3 352.358 0.031 20 50 FCGDHM CC1(C)C[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824796171 607805173 /nfs/dbraw/zinc/80/51/73/607805173.db2.gz MRWFERDTABGQGJ-LLVKDONJSA-N -1 3 358.358 0.217 20 50 FCGDHM CC1(C)C[C@@H]1C(=O)OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824796171 607805174 /nfs/dbraw/zinc/80/51/74/607805174.db2.gz MRWFERDTABGQGJ-LLVKDONJSA-N -1 3 358.358 0.217 20 50 FCGDHM O=C(CNC(=O)c1cccnc1)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826412095 607889853 /nfs/dbraw/zinc/88/98/53/607889853.db2.gz BCSKWFRPJSWCBZ-UHFFFAOYSA-N -1 3 350.342 0.142 20 50 FCGDHM O=C(CNC(=O)c1cccnc1)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826412095 607889854 /nfs/dbraw/zinc/88/98/54/607889854.db2.gz BCSKWFRPJSWCBZ-UHFFFAOYSA-N -1 3 350.342 0.142 20 50 FCGDHM O=C(CSC1CCOCC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826419626 607894326 /nfs/dbraw/zinc/89/43/26/607894326.db2.gz GDGCQRQFEJLUTA-UHFFFAOYSA-N -1 3 362.415 0.540 20 50 FCGDHM O=C(CSC1CCOCC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826419626 607894327 /nfs/dbraw/zinc/89/43/27/607894327.db2.gz GDGCQRQFEJLUTA-UHFFFAOYSA-N -1 3 362.415 0.540 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(F)cc1 ZINC000825892977 607921801 /nfs/dbraw/zinc/92/18/01/607921801.db2.gz XUQHUDBMPVXSEE-UHFFFAOYSA-N -1 3 369.360 0.903 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(F)cc1 ZINC000825892977 607921802 /nfs/dbraw/zinc/92/18/02/607921802.db2.gz XUQHUDBMPVXSEE-UHFFFAOYSA-N -1 3 369.360 0.903 20 50 FCGDHM CCCN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)CC(F)F ZINC000825307890 607922494 /nfs/dbraw/zinc/92/24/94/607922494.db2.gz QKEGWGDIIQEEEO-UHFFFAOYSA-N -1 3 367.360 0.605 20 50 FCGDHM CCCN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)CC(F)F ZINC000825307890 607922495 /nfs/dbraw/zinc/92/24/95/607922495.db2.gz QKEGWGDIIQEEEO-UHFFFAOYSA-N -1 3 367.360 0.605 20 50 FCGDHM CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823982226 607925806 /nfs/dbraw/zinc/92/58/06/607925806.db2.gz WZHGISRQTHWSQZ-ZDUSSCGKSA-N -1 3 357.374 0.029 20 50 FCGDHM CC(=O)N1CCCC[C@H]1C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823982226 607925807 /nfs/dbraw/zinc/92/58/07/607925807.db2.gz WZHGISRQTHWSQZ-ZDUSSCGKSA-N -1 3 357.374 0.029 20 50 FCGDHM CCCc1nccn1CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000825353352 607932476 /nfs/dbraw/zinc/93/24/76/607932476.db2.gz WTANOMMIYUZYJF-UHFFFAOYSA-N -1 3 354.374 0.477 20 50 FCGDHM O=C(CN1CC[C@@H](C(F)F)C1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826410234 608044796 /nfs/dbraw/zinc/04/47/96/608044796.db2.gz HCCVXHVQVMFCHO-LLVKDONJSA-N -1 3 365.344 0.215 20 50 FCGDHM O=C(CN1CC[C@@H](C(F)F)C1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826410234 608044797 /nfs/dbraw/zinc/04/47/97/608044797.db2.gz HCCVXHVQVMFCHO-LLVKDONJSA-N -1 3 365.344 0.215 20 50 FCGDHM COc1ccc(-c2nnn[n-]2)cc1NC(=O)C(=O)NNc1ccccn1 ZINC000826185623 608140983 /nfs/dbraw/zinc/14/09/83/608140983.db2.gz OZIHVWGVEYRTMQ-UHFFFAOYSA-N -1 3 354.330 0.352 20 50 FCGDHM COc1ccc(-c2nn[n-]n2)cc1NC(=O)C(=O)NNc1ccccn1 ZINC000826185623 608140984 /nfs/dbraw/zinc/14/09/84/608140984.db2.gz OZIHVWGVEYRTMQ-UHFFFAOYSA-N -1 3 354.330 0.352 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CO)CC2CC2)cc(-c2nnn[n-]2)n1C ZINC000826235183 608172432 /nfs/dbraw/zinc/17/24/32/608172432.db2.gz DUBUATXEAUGLPW-BLXFFLACSA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](CO)CC2CC2)cc(-c2nn[n-]n2)n1C ZINC000826235183 608172433 /nfs/dbraw/zinc/17/24/33/608172433.db2.gz DUBUATXEAUGLPW-BLXFFLACSA-N -1 3 355.402 0.698 20 50 FCGDHM CCN(CC(=O)OC)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825399306 608198679 /nfs/dbraw/zinc/19/86/79/608198679.db2.gz PBWOEFLMEREGPW-WUXMJOGZSA-N -1 3 357.374 0.442 20 50 FCGDHM CCN(CC(=O)OC)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825399306 608198680 /nfs/dbraw/zinc/19/86/80/608198680.db2.gz PBWOEFLMEREGPW-WUXMJOGZSA-N -1 3 357.374 0.442 20 50 FCGDHM O=C(NNC(=O)N1CCOC2(CCC2)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000826445407 608237736 /nfs/dbraw/zinc/23/77/36/608237736.db2.gz SSLWFHUXRGXVOJ-UHFFFAOYSA-N -1 3 357.374 0.476 20 50 FCGDHM O=C(NNC(=O)N1CCOC2(CCC2)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826445407 608237737 /nfs/dbraw/zinc/23/77/37/608237737.db2.gz SSLWFHUXRGXVOJ-UHFFFAOYSA-N -1 3 357.374 0.476 20 50 FCGDHM CCc1nn(C)c(OC)c1CNC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825759299 608274171 /nfs/dbraw/zinc/27/41/71/608274171.db2.gz CARQJCRVPVXZMB-UHFFFAOYSA-N -1 3 371.405 0.998 20 50 FCGDHM CCc1nn(C)c(OC)c1CNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825759299 608274173 /nfs/dbraw/zinc/27/41/73/608274173.db2.gz CARQJCRVPVXZMB-UHFFFAOYSA-N -1 3 371.405 0.998 20 50 FCGDHM N#Cc1cc(Cl)nc(NNC(=O)CNc2ccc(-c3nnn[n-]3)cn2)c1 ZINC000826383729 608627933 /nfs/dbraw/zinc/62/79/33/608627933.db2.gz NPCNVLADAJBPND-UHFFFAOYSA-N -1 3 370.764 0.737 20 50 FCGDHM N#Cc1cc(Cl)nc(NNC(=O)CNc2ccc(-c3nn[n-]n3)cn2)c1 ZINC000826383729 608627935 /nfs/dbraw/zinc/62/79/35/608627935.db2.gz NPCNVLADAJBPND-UHFFFAOYSA-N -1 3 370.764 0.737 20 50 FCGDHM COc1cccc(NNC(=O)COc2ccc(-c3nnn[n-]3)cc2OC)n1 ZINC000826216514 609174184 /nfs/dbraw/zinc/17/41/84/609174184.db2.gz CBBDCQMAGNZSMM-UHFFFAOYSA-N -1 3 371.357 0.801 20 50 FCGDHM COc1cccc(NNC(=O)COc2ccc(-c3nn[n-]n3)cc2OC)n1 ZINC000826216514 609174186 /nfs/dbraw/zinc/17/41/86/609174186.db2.gz CBBDCQMAGNZSMM-UHFFFAOYSA-N -1 3 371.357 0.801 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H]([C@@H](C)O)C2)cc(-c2nnn[n-]2)n1C ZINC000826236073 609264698 /nfs/dbraw/zinc/26/46/98/609264698.db2.gz XWOOYIZUJFYIHL-OYPJRYJSSA-N -1 3 355.402 0.650 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H]([C@@H](C)O)C2)cc(-c2nn[n-]n2)n1C ZINC000826236073 609264699 /nfs/dbraw/zinc/26/46/99/609264699.db2.gz XWOOYIZUJFYIHL-OYPJRYJSSA-N -1 3 355.402 0.650 20 50 FCGDHM Cn1cc(C=NNC(=O)c2cnccn2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826359694 609304966 /nfs/dbraw/zinc/30/49/66/609304966.db2.gz OAECKQOTFPLVPE-UHFFFAOYSA-N -1 3 374.368 0.821 20 50 FCGDHM C[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@H]1F ZINC000824953222 609373889 /nfs/dbraw/zinc/37/38/89/609373889.db2.gz CRQRDGUIMMAYCP-ZWNOBZJWSA-N -1 3 361.381 0.308 20 50 FCGDHM C[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@H]1F ZINC000824953222 609373892 /nfs/dbraw/zinc/37/38/92/609373892.db2.gz CRQRDGUIMMAYCP-ZWNOBZJWSA-N -1 3 361.381 0.308 20 50 FCGDHM O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826421514 609411207 /nfs/dbraw/zinc/41/12/07/609411207.db2.gz LUWLQYFNNMCOHG-UHFFFAOYSA-N -1 3 350.342 0.680 20 50 FCGDHM O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826421514 609411209 /nfs/dbraw/zinc/41/12/09/609411209.db2.gz LUWLQYFNNMCOHG-UHFFFAOYSA-N -1 3 350.342 0.680 20 50 FCGDHM Cc1cnc([C@H](C)NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826318113 609446471 /nfs/dbraw/zinc/44/64/71/609446471.db2.gz WJZNAWQJJVQNHY-VIFPVBQESA-N -1 3 356.346 0.868 20 50 FCGDHM Cc1cnc([C@H](C)NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000826318113 609446472 /nfs/dbraw/zinc/44/64/72/609446472.db2.gz WJZNAWQJJVQNHY-VIFPVBQESA-N -1 3 356.346 0.868 20 50 FCGDHM COc1cccc(NNC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826216860 609605236 /nfs/dbraw/zinc/60/52/36/609605236.db2.gz QFSATZGUIHKVAO-UHFFFAOYSA-N -1 3 370.373 0.975 20 50 FCGDHM Cc1nc(CNC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)no1 ZINC000737477241 945077193 /nfs/dbraw/zinc/07/71/93/945077193.db2.gz LPKKSHHOBJTSLC-WCIBSUBMSA-N -1 3 353.346 0.428 20 50 FCGDHM Cc1nc(CNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)no1 ZINC000737477241 945077200 /nfs/dbraw/zinc/07/72/00/945077200.db2.gz LPKKSHHOBJTSLC-WCIBSUBMSA-N -1 3 353.346 0.428 20 50 FCGDHM N#Cc1cccc(C(=O)NNC(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000737721854 945116777 /nfs/dbraw/zinc/11/67/77/945116777.db2.gz COIZBZQHUQOIHF-UHFFFAOYSA-N -1 3 362.353 0.883 20 50 FCGDHM N#Cc1cccc(C(=O)NNC(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000737721854 945116785 /nfs/dbraw/zinc/11/67/85/945116785.db2.gz COIZBZQHUQOIHF-UHFFFAOYSA-N -1 3 362.353 0.883 20 50 FCGDHM O=C(CCOC[C@H]1CCCO1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737848021 945137104 /nfs/dbraw/zinc/13/71/04/945137104.db2.gz NQUPAKIUWOCVRH-CYBMUJFWSA-N -1 3 360.374 0.213 20 50 FCGDHM O=C(CCOC[C@H]1CCCO1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737848021 945137108 /nfs/dbraw/zinc/13/71/08/945137108.db2.gz NQUPAKIUWOCVRH-CYBMUJFWSA-N -1 3 360.374 0.213 20 50 FCGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNc1ncccc1Cl ZINC000737888840 945144297 /nfs/dbraw/zinc/14/42/97/945144297.db2.gz GTJCRSPIMZQBDU-UHFFFAOYSA-N -1 3 372.776 0.788 20 50 FCGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNc1ncccc1Cl ZINC000737888840 945144305 /nfs/dbraw/zinc/14/43/05/945144305.db2.gz GTJCRSPIMZQBDU-UHFFFAOYSA-N -1 3 372.776 0.788 20 50 FCGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNc1nccnc1Cl ZINC000737890645 945146125 /nfs/dbraw/zinc/14/61/25/945146125.db2.gz WUJPGNNRKVNHRL-UHFFFAOYSA-N -1 3 373.764 0.183 20 50 FCGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNc1nccnc1Cl ZINC000737890645 945146138 /nfs/dbraw/zinc/14/61/38/945146138.db2.gz WUJPGNNRKVNHRL-UHFFFAOYSA-N -1 3 373.764 0.183 20 50 FCGDHM O=C(CSc1ccncc1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737953203 945164312 /nfs/dbraw/zinc/16/43/12/945164312.db2.gz HQZZSYSDUUYHKR-UHFFFAOYSA-N -1 3 355.383 0.815 20 50 FCGDHM O=C(CSc1ccncc1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737953203 945164321 /nfs/dbraw/zinc/16/43/21/945164321.db2.gz HQZZSYSDUUYHKR-UHFFFAOYSA-N -1 3 355.383 0.815 20 50 FCGDHM O=C(NCc1cccc(CO)c1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000738116917 945193241 /nfs/dbraw/zinc/19/32/41/945193241.db2.gz MHDATMREDLPMCU-UHFFFAOYSA-N -1 3 367.369 0.503 20 50 FCGDHM O=C(NCc1cccc(CO)c1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000738116917 945193247 /nfs/dbraw/zinc/19/32/47/945193247.db2.gz MHDATMREDLPMCU-UHFFFAOYSA-N -1 3 367.369 0.503 20 50 FCGDHM O=C(NNC(=O)[C@@H]1Cc2cc(F)ccc2O1)c1cccc(-c2nnn[n-]2)c1 ZINC000738129681 945204877 /nfs/dbraw/zinc/20/48/77/945204877.db2.gz HDMFZUAUDSPJAK-AWEZNQCLSA-N -1 3 368.328 0.771 20 50 FCGDHM O=C(NNC(=O)[C@@H]1Cc2cc(F)ccc2O1)c1cccc(-c2nn[n-]n2)c1 ZINC000738129681 945204880 /nfs/dbraw/zinc/20/48/80/945204880.db2.gz HDMFZUAUDSPJAK-AWEZNQCLSA-N -1 3 368.328 0.771 20 50 FCGDHM O=C(NNC(=O)[C@@H]1COc2ccccc2C1)c1cccc(-c2nnn[n-]2)c1 ZINC000738130785 945211937 /nfs/dbraw/zinc/21/19/37/945211937.db2.gz WBBUQULBKGQRQQ-AWEZNQCLSA-N -1 3 364.365 0.879 20 50 FCGDHM O=C(NNC(=O)[C@@H]1COc2ccccc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000738130785 945211946 /nfs/dbraw/zinc/21/19/46/945211946.db2.gz WBBUQULBKGQRQQ-AWEZNQCLSA-N -1 3 364.365 0.879 20 50 FCGDHM O=C(NNC(=O)c1ccc2ccccc2n1)c1ccc(-c2nnn[n-]2)nc1 ZINC000738135710 945227215 /nfs/dbraw/zinc/22/72/15/945227215.db2.gz BBTKTBNKVRDPMO-UHFFFAOYSA-N -1 3 360.337 0.885 20 50 FCGDHM O=Cc1ccccc1OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738316498 945260036 /nfs/dbraw/zinc/26/00/36/945260036.db2.gz BSWCXFNHVJWKQP-UHFFFAOYSA-N -1 3 366.337 0.519 20 50 FCGDHM O=Cc1ccccc1OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738316498 945260045 /nfs/dbraw/zinc/26/00/45/945260045.db2.gz BSWCXFNHVJWKQP-UHFFFAOYSA-N -1 3 366.337 0.519 20 50 FCGDHM CC(C)[C@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820045913 945336698 /nfs/dbraw/zinc/33/66/98/945336698.db2.gz OMOPKGFTADWCDB-ZIAGYGMSSA-N -1 3 373.417 0.872 20 50 FCGDHM CC(C)[C@H]1OCC[C@@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820045913 945336707 /nfs/dbraw/zinc/33/67/07/945336707.db2.gz OMOPKGFTADWCDB-ZIAGYGMSSA-N -1 3 373.417 0.872 20 50 FCGDHM CC(C)c1cc(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)n(C)n1 ZINC000820187807 945369136 /nfs/dbraw/zinc/36/91/36/945369136.db2.gz TUAADHNLTWOHNM-UHFFFAOYSA-N -1 3 354.374 0.798 20 50 FCGDHM CC(C)c1cc(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)n(C)n1 ZINC000820187807 945369151 /nfs/dbraw/zinc/36/91/51/945369151.db2.gz TUAADHNLTWOHNM-UHFFFAOYSA-N -1 3 354.374 0.798 20 50 FCGDHM C#CCN1CCN(C(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)CC1 ZINC000735380791 944642990 /nfs/dbraw/zinc/64/29/90/944642990.db2.gz JECIDOYTJMENKQ-GDNBJRDFSA-N -1 3 364.413 0.198 20 50 FCGDHM C#CCN1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)CC1 ZINC000735380791 944642997 /nfs/dbraw/zinc/64/29/97/944642997.db2.gz JECIDOYTJMENKQ-GDNBJRDFSA-N -1 3 364.413 0.198 20 50 FCGDHM C#Cc1ccc(C(=O)[N-]NC(=O)COc2ccc(-c3nn[nH]n3)cc2)nc1 ZINC000735390351 944644534 /nfs/dbraw/zinc/64/45/34/944644534.db2.gz XXDVOIPPBHCGSK-UHFFFAOYSA-N -1 3 363.337 0.083 20 50 FCGDHM CC(=O)N[C@@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000735474164 944663164 /nfs/dbraw/zinc/66/31/64/944663164.db2.gz IEOJOBODQHEQGC-CQSZACIVSA-N -1 3 371.401 0.323 20 50 FCGDHM CC(=O)N[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000735474164 944663170 /nfs/dbraw/zinc/66/31/70/944663170.db2.gz IEOJOBODQHEQGC-CQSZACIVSA-N -1 3 371.401 0.323 20 50 FCGDHM CC(=O)NCCCCCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735475671 944664161 /nfs/dbraw/zinc/66/41/61/944664161.db2.gz YKMYGEGBTAJTCE-UHFFFAOYSA-N -1 3 359.390 0.324 20 50 FCGDHM CC(=O)NCCCCCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735475671 944664170 /nfs/dbraw/zinc/66/41/70/944664170.db2.gz YKMYGEGBTAJTCE-UHFFFAOYSA-N -1 3 359.390 0.324 20 50 FCGDHM CC(C)CCC(=O)NNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735797418 944703833 /nfs/dbraw/zinc/70/38/33/944703833.db2.gz PBFDDQOISKXBER-UHFFFAOYSA-N -1 3 360.378 0.278 20 50 FCGDHM CC(C)CCC(=O)NNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735797418 944703841 /nfs/dbraw/zinc/70/38/41/944703841.db2.gz PBFDDQOISKXBER-UHFFFAOYSA-N -1 3 360.378 0.278 20 50 FCGDHM C[C@H](Cn1cccn1)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736076836 944737090 /nfs/dbraw/zinc/73/70/90/944737090.db2.gz DACNSUFBIGLDHD-SNVBAGLBSA-N -1 3 355.362 0.096 20 50 FCGDHM C[C@H](Cn1cccn1)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736076836 944737099 /nfs/dbraw/zinc/73/70/99/944737099.db2.gz DACNSUFBIGLDHD-SNVBAGLBSA-N -1 3 355.362 0.096 20 50 FCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)Cc1cccnc1 ZINC000736167229 944751126 /nfs/dbraw/zinc/75/11/26/944751126.db2.gz CNLYCTHYFJVKQH-NSHDSACASA-N -1 3 367.369 0.419 20 50 FCGDHM CCCCN(C)S(=O)(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736454424 944825099 /nfs/dbraw/zinc/82/50/99/944825099.db2.gz YRBYSMSNBVYWFS-UHFFFAOYSA-N -1 3 353.408 0.078 20 50 FCGDHM CCCCN(C)S(=O)(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736454424 944825105 /nfs/dbraw/zinc/82/51/05/944825105.db2.gz YRBYSMSNBVYWFS-UHFFFAOYSA-N -1 3 353.408 0.078 20 50 FCGDHM CCO[C@H]1CCCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736609231 944854728 /nfs/dbraw/zinc/85/47/28/944854728.db2.gz DTPXDFIKWMZPGQ-ZDUSSCGKSA-N -1 3 359.390 0.722 20 50 FCGDHM CCO[C@H]1CCCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736609231 944854734 /nfs/dbraw/zinc/85/47/34/944854734.db2.gz DTPXDFIKWMZPGQ-ZDUSSCGKSA-N -1 3 359.390 0.722 20 50 FCGDHM CCS(=O)(=O)CC(C)=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736657498 944864261 /nfs/dbraw/zinc/86/42/61/944864261.db2.gz SCWFGGUPMQUKRJ-UHFFFAOYSA-N -1 3 366.403 0.172 20 50 FCGDHM CC[S@](=O)CCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736665916 944865645 /nfs/dbraw/zinc/86/56/45/944865645.db2.gz WETUHHJMEFZMEP-VWFRCSCGSA-N -1 3 361.431 0.305 20 50 FCGDHM CC[S@](=O)CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736665916 944865650 /nfs/dbraw/zinc/86/56/50/944865650.db2.gz WETUHHJMEFZMEP-VWFRCSCGSA-N -1 3 361.431 0.305 20 50 FCGDHM CN(CCn1cccn1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000736814474 944892809 /nfs/dbraw/zinc/89/28/09/944892809.db2.gz JYNOOIDCRJDRCX-UHFFFAOYSA-N -1 3 355.362 0.050 20 50 FCGDHM CN(CCn1cccn1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000736814474 944892813 /nfs/dbraw/zinc/89/28/13/944892813.db2.gz JYNOOIDCRJDRCX-UHFFFAOYSA-N -1 3 355.362 0.050 20 50 FCGDHM COc1ccc(NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cn1 ZINC000737103949 944959089 /nfs/dbraw/zinc/95/90/89/944959089.db2.gz MDKLACRYOJYDCD-UHFFFAOYSA-N -1 3 354.330 0.737 20 50 FCGDHM COc1ccc(NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cn1 ZINC000737103949 944959092 /nfs/dbraw/zinc/95/90/92/944959092.db2.gz MDKLACRYOJYDCD-UHFFFAOYSA-N -1 3 354.330 0.737 20 50 FCGDHM COc1cccc(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737129964 944963346 /nfs/dbraw/zinc/96/33/46/944963346.db2.gz OEGUUCOPSRPUFS-UHFFFAOYSA-N -1 3 352.354 0.879 20 50 FCGDHM COc1cccc(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737129964 944963360 /nfs/dbraw/zinc/96/33/60/944963360.db2.gz OEGUUCOPSRPUFS-UHFFFAOYSA-N -1 3 352.354 0.879 20 50 FCGDHM Cc1c(/C=C(/C#N)C(=O)Nc2cccn(C)c2=O)cc(-c2nn[n-]n2)n1C ZINC000737211600 944987368 /nfs/dbraw/zinc/98/73/68/944987368.db2.gz DJKYDNHRJKKGFH-GHXNOFRVSA-N -1 3 364.369 0.758 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCO[C@H](C#N)C2)cc(-c2nnn[n-]2)n1C ZINC000737212095 944991568 /nfs/dbraw/zinc/99/15/68/944991568.db2.gz HRDNRINCAMCBLB-YQJFHSMKSA-N -1 3 352.358 0.172 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCO[C@H](C#N)C2)cc(-c2nn[n-]n2)n1C ZINC000737212095 944991572 /nfs/dbraw/zinc/99/15/72/944991572.db2.gz HRDNRINCAMCBLB-YQJFHSMKSA-N -1 3 352.358 0.172 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)Cc2ncc[nH]2)cc(-c2nn[n-]n2)n1C ZINC000737213053 944998222 /nfs/dbraw/zinc/99/82/22/944998222.db2.gz QAFQLEIMGGTRIC-SDQBBNPISA-N -1 3 351.374 0.802 20 50 FCGDHM Cc1ccc(NCC(=O)NNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000737362042 945048911 /nfs/dbraw/zinc/04/89/11/945048911.db2.gz LZDKCQRTZZOUPB-UHFFFAOYSA-N -1 3 365.397 0.977 20 50 FCGDHM Cc1ccc(NCC(=O)NNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000737362042 945048922 /nfs/dbraw/zinc/04/89/22/945048922.db2.gz LZDKCQRTZZOUPB-UHFFFAOYSA-N -1 3 365.397 0.977 20 50 FCGDHM CC(C)n1ccc(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000820215629 945387884 /nfs/dbraw/zinc/38/78/84/945387884.db2.gz XXSFXERHXRWXHF-UHFFFAOYSA-N -1 3 354.374 0.648 20 50 FCGDHM CC(C)n1ccc(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000820215629 945387896 /nfs/dbraw/zinc/38/78/96/945387896.db2.gz XXSFXERHXRWXHF-UHFFFAOYSA-N -1 3 354.374 0.648 20 50 FCGDHM C[C@H](NC(N)=O)C(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000820410738 945445839 /nfs/dbraw/zinc/44/58/39/945445839.db2.gz GEYXNIKVWNBSNU-YFKPBYRVSA-N -1 3 358.284 0.385 20 50 FCGDHM C[C@H](NC(N)=O)C(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000820410738 945445847 /nfs/dbraw/zinc/44/58/47/945445847.db2.gz GEYXNIKVWNBSNU-YFKPBYRVSA-N -1 3 358.284 0.385 20 50 FCGDHM C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820536075 945478975 /nfs/dbraw/zinc/47/89/75/945478975.db2.gz RUZFRCBZIKQVHP-MRVPVSSYSA-N -1 3 359.321 0.562 20 50 FCGDHM C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820536075 945478980 /nfs/dbraw/zinc/47/89/80/945478980.db2.gz RUZFRCBZIKQVHP-MRVPVSSYSA-N -1 3 359.321 0.562 20 50 FCGDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNC(=O)Cc1ccncc1 ZINC000820542996 945481194 /nfs/dbraw/zinc/48/11/94/945481194.db2.gz SNHTYVKGQORGLA-NSHDSACASA-N -1 3 367.369 0.419 20 50 FCGDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNC(=O)Cc1ccncc1 ZINC000820542996 945481200 /nfs/dbraw/zinc/48/12/00/945481200.db2.gz SNHTYVKGQORGLA-NSHDSACASA-N -1 3 367.369 0.419 20 50 FCGDHM C[C@H]1CC[C@@H](CCC(=O)NNC(=O)COc2ccc(-c3nn[n-]n3)cc2)O1 ZINC000820690966 945529948 /nfs/dbraw/zinc/52/99/48/945529948.db2.gz URHADOYAYXAJLO-FZMZJTMJSA-N -1 3 374.401 0.741 20 50 FCGDHM CC[C@H](C)[C@@H](O)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000820862927 945577635 /nfs/dbraw/zinc/57/76/35/945577635.db2.gz RXWJJTCPQLZPGU-BYFNLVKBSA-N -1 3 357.418 0.944 20 50 FCGDHM CC[C@H](C)[C@@H](O)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000820862927 945577640 /nfs/dbraw/zinc/57/76/40/945577640.db2.gz RXWJJTCPQLZPGU-BYFNLVKBSA-N -1 3 357.418 0.944 20 50 FCGDHM CC[C@H](C)[C@@H](O)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000820862929 945577691 /nfs/dbraw/zinc/57/76/91/945577691.db2.gz RXWJJTCPQLZPGU-FLUOHAGQSA-N -1 3 357.418 0.944 20 50 FCGDHM CC[C@H](C)[C@@H](O)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000820862929 945577697 /nfs/dbraw/zinc/57/76/97/945577697.db2.gz RXWJJTCPQLZPGU-FLUOHAGQSA-N -1 3 357.418 0.944 20 50 FCGDHM CCC[C@H](NNC(=O)COc1ccccc1-c1nnn[n-]1)C(=O)OCC ZINC000821021200 945614075 /nfs/dbraw/zinc/61/40/75/945614075.db2.gz LQAVBRVFJLXDMR-LBPRGKRZSA-N -1 3 362.390 0.598 20 50 FCGDHM CCC[C@H](NNC(=O)COc1ccccc1-c1nn[n-]n1)C(=O)OCC ZINC000821021200 945614078 /nfs/dbraw/zinc/61/40/78/945614078.db2.gz LQAVBRVFJLXDMR-LBPRGKRZSA-N -1 3 362.390 0.598 20 50 FCGDHM CCOC(=O)[C@@H](C)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821313891 945667865 /nfs/dbraw/zinc/66/78/65/945667865.db2.gz JEYYIBBQZHTGSI-FYTLYHSASA-N -1 3 371.401 0.736 20 50 FCGDHM CCOC(=O)[C@@H](C)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821313891 945667871 /nfs/dbraw/zinc/66/78/71/945667871.db2.gz JEYYIBBQZHTGSI-FYTLYHSASA-N -1 3 371.401 0.736 20 50 FCGDHM CCc1ccccc1OCC(=O)NNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000821497257 945710384 /nfs/dbraw/zinc/71/03/84/945710384.db2.gz ROIYDQYFSOBSRK-UHFFFAOYSA-N -1 3 369.385 0.608 20 50 FCGDHM CCc1ccccc1OCC(=O)NNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000821497257 945710389 /nfs/dbraw/zinc/71/03/89/945710389.db2.gz ROIYDQYFSOBSRK-UHFFFAOYSA-N -1 3 369.385 0.608 20 50 FCGDHM CN(Cc1nccs1)C(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000821617910 945747103 /nfs/dbraw/zinc/74/71/03/945747103.db2.gz HSIJCWIFBDRHMY-UHFFFAOYSA-N -1 3 358.387 0.810 20 50 FCGDHM CN(Cc1nccs1)C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000821617910 945747112 /nfs/dbraw/zinc/74/71/12/945747112.db2.gz HSIJCWIFBDRHMY-UHFFFAOYSA-N -1 3 358.387 0.810 20 50 FCGDHM COC(=O)C(C)(C)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821637849 945763595 /nfs/dbraw/zinc/76/35/95/945763595.db2.gz WIMYRYHMYRGBTO-WUXMJOGZSA-N -1 3 371.401 0.736 20 50 FCGDHM COC(=O)C(C)(C)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821637849 945763606 /nfs/dbraw/zinc/76/36/06/945763606.db2.gz WIMYRYHMYRGBTO-WUXMJOGZSA-N -1 3 371.401 0.736 20 50 FCGDHM COC(=O)[C@H](NNC(=O)c1scnc1C)c1cccc(-c2nnn[n-]2)c1 ZINC000821644817 945770181 /nfs/dbraw/zinc/77/01/81/945770181.db2.gz JXUGRWUGLRQPRG-LLVKDONJSA-N -1 3 373.398 0.780 20 50 FCGDHM COC(=O)[C@H](NNC(=O)c1scnc1C)c1cccc(-c2nn[n-]n2)c1 ZINC000821644817 945770185 /nfs/dbraw/zinc/77/01/85/945770185.db2.gz JXUGRWUGLRQPRG-LLVKDONJSA-N -1 3 373.398 0.780 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)c2ccco2)cc(-c2nnn[n-]2)n1C ZINC000822027799 945936860 /nfs/dbraw/zinc/93/68/60/945936860.db2.gz JIRCNGKTFCUKBB-TZWLIRKLSA-N -1 3 367.369 0.863 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H](O)c2ccco2)cc(-c2nn[n-]n2)n1C ZINC000822027799 945936868 /nfs/dbraw/zinc/93/68/68/945936868.db2.gz JIRCNGKTFCUKBB-TZWLIRKLSA-N -1 3 367.369 0.863 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)C(=O)N(C)C)cc(-c2nnn[n-]2)n1C ZINC000822027687 945937312 /nfs/dbraw/zinc/93/73/12/945937312.db2.gz IXQRRYFCJCXZOG-TZZQWBKVSA-N -1 3 356.390 0.014 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H](C)C(=O)N(C)C)cc(-c2nn[n-]n2)n1C ZINC000822027687 945937321 /nfs/dbraw/zinc/93/73/21/945937321.db2.gz IXQRRYFCJCXZOG-TZZQWBKVSA-N -1 3 356.390 0.014 20 50 FCGDHM Cc1nc(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c(C)s1 ZINC000822436243 946088299 /nfs/dbraw/zinc/08/82/99/946088299.db2.gz JRYCPCQLHMTGBU-UHFFFAOYSA-N -1 3 357.399 0.944 20 50 FCGDHM Cc1nc(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c(C)s1 ZINC000822436243 946088312 /nfs/dbraw/zinc/08/83/12/946088312.db2.gz JRYCPCQLHMTGBU-UHFFFAOYSA-N -1 3 357.399 0.944 20 50 FCGDHM Cc1nn(C)c(C)c1OCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000822491973 946103921 /nfs/dbraw/zinc/10/39/21/946103921.db2.gz LWFIDDLRAHINEF-UHFFFAOYSA-N -1 3 370.373 0.057 20 50 FCGDHM Cc1nn(C)c(C)c1OCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000822491973 946103926 /nfs/dbraw/zinc/10/39/26/946103926.db2.gz LWFIDDLRAHINEF-UHFFFAOYSA-N -1 3 370.373 0.057 20 50 FCGDHM NC(=O)c1ccc(CNC(=O)NNc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000822885956 946210369 /nfs/dbraw/zinc/21/03/69/946210369.db2.gz WHPALPXGCLMIRI-UHFFFAOYSA-N -1 3 353.346 0.187 20 50 FCGDHM NC(=O)c1ccc(CNC(=O)NNc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000822885956 946210378 /nfs/dbraw/zinc/21/03/78/946210378.db2.gz WHPALPXGCLMIRI-UHFFFAOYSA-N -1 3 353.346 0.187 20 50 FCGDHM O=C(CNC(=O)c1cccs1)NN=Cc1ccc(-c2nnn[n-]2)s1 ZINC000823005174 946261242 /nfs/dbraw/zinc/26/12/42/946261242.db2.gz FUYKCJQZNNHTHC-UHFFFAOYSA-N -1 3 361.412 0.870 20 50 FCGDHM O=C(COC(=O)[C@H]1C[C@@H]1C1CC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018366 946270210 /nfs/dbraw/zinc/27/02/10/946270210.db2.gz LQFHLCSTRKOYQB-OLZOCXBDSA-N -1 3 370.369 0.217 20 50 FCGDHM O=C(COC(=O)[C@H]1C[C@@H]1C1CC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018366 946270220 /nfs/dbraw/zinc/27/02/20/946270220.db2.gz LQFHLCSTRKOYQB-OLZOCXBDSA-N -1 3 370.369 0.217 20 50 FCGDHM O=C(COC(=O)[C@H]1CC12CCC2)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823018069 946270461 /nfs/dbraw/zinc/27/04/61/946270461.db2.gz HGVJZCCVYYFJIX-GFCCVEGCSA-N -1 3 370.369 0.361 20 50 FCGDHM O=C(COC(=O)[C@H]1CC12CCC2)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823018069 946270471 /nfs/dbraw/zinc/27/04/71/946270471.db2.gz HGVJZCCVYYFJIX-GFCCVEGCSA-N -1 3 370.369 0.361 20 50 FCGDHM O=C(COC(=O)[C@H]1C[C@H]1C1CC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823018370 946271808 /nfs/dbraw/zinc/27/18/08/946271808.db2.gz LQFHLCSTRKOYQB-STQMWFEESA-N -1 3 370.369 0.217 20 50 FCGDHM O=C(COC(=O)[C@H]1C[C@H]1C1CC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823018370 946271818 /nfs/dbraw/zinc/27/18/18/946271818.db2.gz LQFHLCSTRKOYQB-STQMWFEESA-N -1 3 370.369 0.217 20 50 FCGDHM O=C(COC(=O)c1ccco1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823026775 946280713 /nfs/dbraw/zinc/28/07/13/946280713.db2.gz GTXLGBLYPCUYGN-UHFFFAOYSA-N -1 3 356.298 0.078 20 50 FCGDHM O=C(COC(=O)c1ccco1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823026775 946280722 /nfs/dbraw/zinc/28/07/22/946280722.db2.gz GTXLGBLYPCUYGN-UHFFFAOYSA-N -1 3 356.298 0.078 20 50 FCGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNC(=O)N[C@@H]1CCSC1 ZINC000823049340 946294758 /nfs/dbraw/zinc/29/47/58/946294758.db2.gz COAGKCIVSRPUAW-SECBINFHSA-N -1 3 363.403 0.081 20 50 FCGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNC(=O)N[C@@H]1CCSC1 ZINC000823049340 946294769 /nfs/dbraw/zinc/29/47/69/946294769.db2.gz COAGKCIVSRPUAW-SECBINFHSA-N -1 3 363.403 0.081 20 50 FCGDHM O=C(Cc1ccccn1)NNC(=O)NCc1cc(-c2nnn[n-]2)ccc1F ZINC000823114766 946315274 /nfs/dbraw/zinc/31/52/74/946315274.db2.gz DALXNXKTKAEQAI-UHFFFAOYSA-N -1 3 370.348 0.474 20 50 FCGDHM O=C(Cc1ccccn1)NNC(=O)NCc1cc(-c2nn[n-]n2)ccc1F ZINC000823114766 946315287 /nfs/dbraw/zinc/31/52/87/946315287.db2.gz DALXNXKTKAEQAI-UHFFFAOYSA-N -1 3 370.348 0.474 20 50 FCGDHM O=C(Cc1csc2nccn12)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823118970 946320379 /nfs/dbraw/zinc/32/03/79/946320379.db2.gz XTGWXCUBTVLOTM-UHFFFAOYSA-N -1 3 368.382 0.580 20 50 FCGDHM O=C(Cc1csc2nccn12)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823118970 946320392 /nfs/dbraw/zinc/32/03/92/946320392.db2.gz XTGWXCUBTVLOTM-UHFFFAOYSA-N -1 3 368.382 0.580 20 50 FCGDHM O=C(NNC(=O)[C@@H]1CCCc2n[nH]cc21)c1ccc(-c2nn[n-]n2)cc1 ZINC000823273310 946378959 /nfs/dbraw/zinc/37/89/59/946378959.db2.gz JPLQVAQWFBMOCP-LLVKDONJSA-N -1 3 352.358 0.471 20 50 FCGDHM CC[C@@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)[C@H]1CCCO1 ZINC000825134649 947093550 /nfs/dbraw/zinc/09/35/50/947093550.db2.gz WCSWXIXCILWMBE-CHWSQXEVSA-N -1 3 359.390 0.768 20 50 FCGDHM CC[C@@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@H]1CCCO1 ZINC000825134649 947093561 /nfs/dbraw/zinc/09/35/61/947093561.db2.gz WCSWXIXCILWMBE-CHWSQXEVSA-N -1 3 359.390 0.768 20 50 FCGDHM CC[C@@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCO1 ZINC000825134650 947094913 /nfs/dbraw/zinc/09/49/13/947094913.db2.gz WCSWXIXCILWMBE-OLZOCXBDSA-N -1 3 359.390 0.768 20 50 FCGDHM CC[C@@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCO1 ZINC000825134650 947094923 /nfs/dbraw/zinc/09/49/23/947094923.db2.gz WCSWXIXCILWMBE-OLZOCXBDSA-N -1 3 359.390 0.768 20 50 FCGDHM Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)NN=c2[nH]cccc2C(=O)[O-])cn1 ZINC001574022650 961979137 /nfs/dbraw/zinc/97/91/37/961979137.db2.gz OSTHLZFRLFXQEP-JSGCOSHPSA-N -1 3 358.402 0.692 20 50 FCGDHM COc1cc(C(=O)[O-])ccc1NNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC001599376827 998501270 /nfs/dbraw/zinc/50/12/70/998501270.db2.gz ZZQDIEWODCHJKW-LBPRGKRZSA-N -1 3 364.402 0.247 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000826447564 607336415 /nfs/dbraw/zinc/33/64/15/607336415.db2.gz LNDPLNKGRABKNY-SECBINFHSA-N -1 3 369.307 0.721 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CC(=O)N(CC(F)(F)F)C1 ZINC000826447564 607336417 /nfs/dbraw/zinc/33/64/17/607336417.db2.gz LNDPLNKGRABKNY-SECBINFHSA-N -1 3 369.307 0.721 20 50 FCGDHM NS(=O)(=O)Cc1cccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826394372 607348337 /nfs/dbraw/zinc/34/83/37/607348337.db2.gz HUEVJZQIUWHMJZ-UHFFFAOYSA-N -1 3 373.398 0.412 20 50 FCGDHM Cn1nc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c2ccccc2c1=O ZINC000826365748 607349588 /nfs/dbraw/zinc/34/95/88/607349588.db2.gz BJIGIASGRKSSDJ-UHFFFAOYSA-N -1 3 362.353 0.871 20 50 FCGDHM O=C(Cn1nnc(-c2ccccc2)n1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826425602 607353071 /nfs/dbraw/zinc/35/30/71/607353071.db2.gz KSKDKKUYKXLLAN-UHFFFAOYSA-N -1 3 362.357 0.664 20 50 FCGDHM O=C(NNC(=O)[C@@H]1OCCc2ccccc21)c1cccc(-c2nnn[n-]2)c1 ZINC000826444809 607538006 /nfs/dbraw/zinc/53/80/06/607538006.db2.gz VGRRGSLITNCKJF-OAHLLOKOSA-N -1 3 364.365 0.942 20 50 FCGDHM O=C(NNC(=O)[C@@H]1OCCc2ccccc21)c1cccc(-c2nn[n-]n2)c1 ZINC000826444809 607538009 /nfs/dbraw/zinc/53/80/09/607538009.db2.gz VGRRGSLITNCKJF-OAHLLOKOSA-N -1 3 364.365 0.942 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCc3c[nH]nc3C2)cc(-c2nn[n-]n2)n1C ZINC000826235874 607569098 /nfs/dbraw/zinc/56/90/98/607569098.db2.gz TUBGYYGYPFVVCF-WLRTZDKTSA-N -1 3 363.385 0.729 20 50 FCGDHM Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)c1 ZINC000826284819 607683243 /nfs/dbraw/zinc/68/32/43/607683243.db2.gz HEJYKXFZBXCNCX-UHFFFAOYSA-N -1 3 355.358 0.652 20 50 FCGDHM Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)c1 ZINC000826284819 607683245 /nfs/dbraw/zinc/68/32/45/607683245.db2.gz HEJYKXFZBXCNCX-UHFFFAOYSA-N -1 3 355.358 0.652 20 50 FCGDHM O=C(CN1CCCc2ccccc21)NNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826410880 607683411 /nfs/dbraw/zinc/68/34/11/607683411.db2.gz BFSPLIGDXYRBQS-UHFFFAOYSA-N -1 3 366.385 0.409 20 50 FCGDHM O=C(CN1CCCc2ccccc21)NNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826410880 607683413 /nfs/dbraw/zinc/68/34/13/607683413.db2.gz BFSPLIGDXYRBQS-UHFFFAOYSA-N -1 3 366.385 0.409 20 50 FCGDHM O=C(CCCNC(=O)c1cccnc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406203 607719374 /nfs/dbraw/zinc/71/93/74/607719374.db2.gz MMFJQSQUPRITTO-UHFFFAOYSA-N -1 3 366.385 0.915 20 50 FCGDHM O=C(CCCNC(=O)c1cccnc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406203 607719376 /nfs/dbraw/zinc/71/93/76/607719376.db2.gz MMFJQSQUPRITTO-UHFFFAOYSA-N -1 3 366.385 0.915 20 50 FCGDHM NC(=O)COc1ccccc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826391534 607722802 /nfs/dbraw/zinc/72/28/02/607722802.db2.gz PFGRIGCNLORXSW-UHFFFAOYSA-N -1 3 353.342 0.488 20 50 FCGDHM NC(=O)COc1ccccc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826391534 607722804 /nfs/dbraw/zinc/72/28/04/607722804.db2.gz PFGRIGCNLORXSW-UHFFFAOYSA-N -1 3 353.342 0.488 20 50 FCGDHM O=C(COc1ccccc1)NCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826418398 607724545 /nfs/dbraw/zinc/72/45/45/607724545.db2.gz DYLOAYUNXAWFSK-UHFFFAOYSA-N -1 3 367.369 0.505 20 50 FCGDHM O=C(COc1ccccc1)NCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826418398 607724547 /nfs/dbraw/zinc/72/45/47/607724547.db2.gz DYLOAYUNXAWFSK-UHFFFAOYSA-N -1 3 367.369 0.505 20 50 FCGDHM NS(=O)(=O)Cc1cccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826394443 607724584 /nfs/dbraw/zinc/72/45/84/607724584.db2.gz KGNSQOUEMHQAFU-UHFFFAOYSA-N -1 3 373.398 0.412 20 50 FCGDHM NS(=O)(=O)Cc1cccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826394443 607724586 /nfs/dbraw/zinc/72/45/86/607724586.db2.gz KGNSQOUEMHQAFU-UHFFFAOYSA-N -1 3 373.398 0.412 20 50 FCGDHM CCOC(=O)C1(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCC1 ZINC000825494303 607725440 /nfs/dbraw/zinc/72/54/40/607725440.db2.gz VPLZGBCPMZHPKA-UHFFFAOYSA-N -1 3 358.358 0.361 20 50 FCGDHM CCOC(=O)C1(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCC1 ZINC000825494303 607725442 /nfs/dbraw/zinc/72/54/42/607725442.db2.gz VPLZGBCPMZHPKA-UHFFFAOYSA-N -1 3 358.358 0.361 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000826481960 607732186 /nfs/dbraw/zinc/73/21/86/607732186.db2.gz NVODGSCGSILRIO-UHFFFAOYSA-N -1 3 351.326 0.955 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccc2c(c1)OCC(=O)N2 ZINC000826481960 607732188 /nfs/dbraw/zinc/73/21/88/607732188.db2.gz NVODGSCGSILRIO-UHFFFAOYSA-N -1 3 351.326 0.955 20 50 FCGDHM O=C(NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1cc(Br)c[nH]1 ZINC000823277774 606249139 /nfs/dbraw/zinc/24/91/39/606249139.db2.gz WQIIBKDVNUOGGS-UHFFFAOYSA-N -1 3 365.151 0.360 20 50 FCGDHM O=C(NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1cc(Br)c[nH]1 ZINC000823277774 606249140 /nfs/dbraw/zinc/24/91/40/606249140.db2.gz WQIIBKDVNUOGGS-UHFFFAOYSA-N -1 3 365.151 0.360 20 50 FCGDHM O=C(NNC(=O)c1ccc(-c2nn[n-]n2)cc1)N[C@@H]1CCc2n[nH]cc2C1 ZINC000823277864 607052474 /nfs/dbraw/zinc/05/24/74/607052474.db2.gz ZTKMNQVXVZFBEW-GFCCVEGCSA-N -1 3 367.373 0.091 20 50 FCGDHM Cc1c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cccc1S(N)(=O)=O ZINC000826234633 607822844 /nfs/dbraw/zinc/82/28/44/607822844.db2.gz HHUIMRSUJLOUDL-UHFFFAOYSA-N -1 3 373.398 0.579 20 50 FCGDHM Cc1c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cccc1S(N)(=O)=O ZINC000826234633 607822845 /nfs/dbraw/zinc/82/28/45/607822845.db2.gz HHUIMRSUJLOUDL-UHFFFAOYSA-N -1 3 373.398 0.579 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCOC[C@H](C)C2)cc(-c2nnn[n-]2)n1C ZINC000826235212 607825883 /nfs/dbraw/zinc/82/58/83/607825883.db2.gz FHVANHGJTVBNKB-MQOXYSQQSA-N -1 3 355.402 0.916 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCOC[C@H](C)C2)cc(-c2nn[n-]n2)n1C ZINC000826235212 607825884 /nfs/dbraw/zinc/82/58/84/607825884.db2.gz FHVANHGJTVBNKB-MQOXYSQQSA-N -1 3 355.402 0.916 20 50 FCGDHM CC(C)CN(CCC#N)CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824255513 607923136 /nfs/dbraw/zinc/92/31/36/607923136.db2.gz MJGQNGDXCMRZQZ-UHFFFAOYSA-N -1 3 370.417 0.499 20 50 FCGDHM CC(C)CN(CCC#N)CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824255513 607923137 /nfs/dbraw/zinc/92/31/37/607923137.db2.gz MJGQNGDXCMRZQZ-UHFFFAOYSA-N -1 3 370.417 0.499 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccc(O)c1 ZINC000825892020 607925178 /nfs/dbraw/zinc/92/51/78/607925178.db2.gz CBCSUFNHAHMISL-UHFFFAOYSA-N -1 3 367.369 0.470 20 50 FCGDHM CN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccc(O)c1 ZINC000825892020 607925179 /nfs/dbraw/zinc/92/51/79/607925179.db2.gz CBCSUFNHAHMISL-UHFFFAOYSA-N -1 3 367.369 0.470 20 50 FCGDHM O=C(NNC(=S)NC[C@H]1CCCCO1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826445511 607967501 /nfs/dbraw/zinc/96/75/01/607967501.db2.gz XPINEBXQMMHSAW-GFCCVEGCSA-N -1 3 361.431 0.545 20 50 FCGDHM O=C(NNC(=S)NC[C@H]1CCCCO1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826445511 607967502 /nfs/dbraw/zinc/96/75/02/607967502.db2.gz XPINEBXQMMHSAW-GFCCVEGCSA-N -1 3 361.431 0.545 20 50 FCGDHM CCC[C@@H]1CN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825254538 607979207 /nfs/dbraw/zinc/97/92/07/607979207.db2.gz UDNXYYDREBNBBN-CYBMUJFWSA-N -1 3 359.390 0.722 20 50 FCGDHM CCC[C@@H]1CN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825254538 607979208 /nfs/dbraw/zinc/97/92/08/607979208.db2.gz UDNXYYDREBNBBN-CYBMUJFWSA-N -1 3 359.390 0.722 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@@H](CCO)C2)cc(-c2nnn[n-]2)n1C ZINC000826235951 607995055 /nfs/dbraw/zinc/99/50/55/607995055.db2.gz VCSNCIWGMLLWSJ-OBTCNRAFSA-N -1 3 355.402 0.652 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@@H](CCO)C2)cc(-c2nn[n-]n2)n1C ZINC000826235951 607995056 /nfs/dbraw/zinc/99/50/56/607995056.db2.gz VCSNCIWGMLLWSJ-OBTCNRAFSA-N -1 3 355.402 0.652 20 50 FCGDHM CNC(=O)c1cccc(OCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826073167 607995424 /nfs/dbraw/zinc/99/54/24/607995424.db2.gz HNRYCJKRIVNJEK-UHFFFAOYSA-N -1 3 367.369 0.748 20 50 FCGDHM O=C(CN1CCC[C@H]1C(F)F)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826411464 608045456 /nfs/dbraw/zinc/04/54/56/608045456.db2.gz ZGLAZNRUGUKNCC-NSHDSACASA-N -1 3 365.344 0.357 20 50 FCGDHM O=C(CN1CCC[C@H]1C(F)F)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826411464 608045457 /nfs/dbraw/zinc/04/54/57/608045457.db2.gz ZGLAZNRUGUKNCC-NSHDSACASA-N -1 3 365.344 0.357 20 50 FCGDHM O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000826449353 608142350 /nfs/dbraw/zinc/14/23/50/608142350.db2.gz ODSUFKUFHHLKFJ-UHFFFAOYSA-N -1 3 368.313 0.857 20 50 FCGDHM O=C(NNc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(-c2nn[n-]n2)cc1 ZINC000826449353 608142351 /nfs/dbraw/zinc/14/23/51/608142351.db2.gz ODSUFKUFHHLKFJ-UHFFFAOYSA-N -1 3 368.313 0.857 20 50 FCGDHM CCN(CCC(=O)OC)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000825419177 608194050 /nfs/dbraw/zinc/19/40/50/608194050.db2.gz JRQHGLCIXUZOJP-JYRVWZFOSA-N -1 3 371.401 0.832 20 50 FCGDHM CCN(CCC(=O)OC)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000825419177 608194051 /nfs/dbraw/zinc/19/40/51/608194051.db2.gz JRQHGLCIXUZOJP-JYRVWZFOSA-N -1 3 371.401 0.832 20 50 FCGDHM CS[C@H](C)CCC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826225734 608289586 /nfs/dbraw/zinc/28/95/86/608289586.db2.gz JOUQWIDRKMTKEU-SNVBAGLBSA-N -1 3 364.431 0.925 20 50 FCGDHM Cc1cccn2c(=O)c(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)cnc12 ZINC000826308245 608318760 /nfs/dbraw/zinc/31/87/60/608318760.db2.gz PSGDVYVYULVSQA-UHFFFAOYSA-N -1 3 362.353 0.940 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@](C)(O)C2)cc(-c2nnn[n-]2)n1C ZINC000826235516 608385684 /nfs/dbraw/zinc/38/56/84/608385684.db2.gz LHILWGAIUHHGEQ-FUIJVIPGSA-N -1 3 355.402 0.794 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CCC[C@](C)(O)C2)cc(-c2nn[n-]n2)n1C ZINC000826235516 608385685 /nfs/dbraw/zinc/38/56/85/608385685.db2.gz LHILWGAIUHHGEQ-FUIJVIPGSA-N -1 3 355.402 0.794 20 50 FCGDHM O=C(CO)NN=Cc1cccc(OCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826415138 609161529 /nfs/dbraw/zinc/16/15/29/609161529.db2.gz SMIRLYQDEQRZIO-UHFFFAOYSA-N -1 3 352.354 0.888 20 50 FCGDHM O=C(CO)NN=Cc1cccc(OCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826415138 609161531 /nfs/dbraw/zinc/16/15/31/609161531.db2.gz SMIRLYQDEQRZIO-UHFFFAOYSA-N -1 3 352.354 0.888 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1ccccc1O ZINC000826417633 609183769 /nfs/dbraw/zinc/18/37/69/609183769.db2.gz YESQSFJIAMPRRB-UHFFFAOYSA-N -1 3 368.353 0.341 20 50 FCGDHM O=C(NNC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1)NC1CCCCC1 ZINC000826444848 609184434 /nfs/dbraw/zinc/18/44/34/609184434.db2.gz XDXCMTYTMDWYHY-CYBMUJFWSA-N -1 3 359.390 0.563 20 50 FCGDHM O=C(NNC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1)NC1CCCCC1 ZINC000826444848 609184436 /nfs/dbraw/zinc/18/44/36/609184436.db2.gz XDXCMTYTMDWYHY-CYBMUJFWSA-N -1 3 359.390 0.563 20 50 FCGDHM O=C(NC[C@H]1CC(=O)N(C2CC2)C1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826434723 609198269 /nfs/dbraw/zinc/19/82/69/609198269.db2.gz VUEDJNSJTKADOB-SNVBAGLBSA-N -1 3 356.390 0.504 20 50 FCGDHM O=C(NC[C@H]1CC(=O)N(C2CC2)C1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826434723 609198270 /nfs/dbraw/zinc/19/82/70/609198270.db2.gz VUEDJNSJTKADOB-SNVBAGLBSA-N -1 3 356.390 0.504 20 50 FCGDHM N#Cc1ccc([C@H](O)C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000826384592 609224396 /nfs/dbraw/zinc/22/43/96/609224396.db2.gz BOGTUUDHAHATNY-AWEZNQCLSA-N -1 3 363.337 0.233 20 50 FCGDHM N#Cc1ccc([C@H](O)C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826384592 609224397 /nfs/dbraw/zinc/22/43/97/609224397.db2.gz BOGTUUDHAHATNY-AWEZNQCLSA-N -1 3 363.337 0.233 20 50 FCGDHM COC[C@@H](CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C)OC ZINC000826149186 609311909 /nfs/dbraw/zinc/31/19/09/609311909.db2.gz BFEINHPFHIOPBW-YQJFHSMKSA-N -1 3 359.390 0.198 20 50 FCGDHM COC[C@@H](CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C)OC ZINC000826149186 609311910 /nfs/dbraw/zinc/31/19/10/609311910.db2.gz BFEINHPFHIOPBW-YQJFHSMKSA-N -1 3 359.390 0.198 20 50 FCGDHM C[C@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C[C@@H]1F ZINC000824953218 609372508 /nfs/dbraw/zinc/37/25/08/609372508.db2.gz CRQRDGUIMMAYCP-GWCFXTLKSA-N -1 3 361.381 0.308 20 50 FCGDHM C[C@H]1CCN(CC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C[C@@H]1F ZINC000824953218 609372511 /nfs/dbraw/zinc/37/25/11/609372511.db2.gz CRQRDGUIMMAYCP-GWCFXTLKSA-N -1 3 361.381 0.308 20 50 FCGDHM C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000824756929 609410729 /nfs/dbraw/zinc/41/07/29/609410729.db2.gz SEZNPZPJVGZZNE-MRVPVSSYSA-N -1 3 359.321 0.562 20 50 FCGDHM C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000824756929 609410731 /nfs/dbraw/zinc/41/07/31/609410731.db2.gz SEZNPZPJVGZZNE-MRVPVSSYSA-N -1 3 359.321 0.562 20 50 FCGDHM CC(C)[C@H]1CN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000824223331 609444996 /nfs/dbraw/zinc/44/49/96/609444996.db2.gz GUUROGJJLYOJQV-CYBMUJFWSA-N -1 3 359.390 0.578 20 50 FCGDHM CC(C)[C@H]1CN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000824223331 609444998 /nfs/dbraw/zinc/44/49/98/609444998.db2.gz GUUROGJJLYOJQV-CYBMUJFWSA-N -1 3 359.390 0.578 20 50 FCGDHM O=C(CS[C@H]1CCCOC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826419587 609526336 /nfs/dbraw/zinc/52/63/36/609526336.db2.gz DRIULHYJORELFI-LBPRGKRZSA-N -1 3 362.415 0.540 20 50 FCGDHM O=C(CS[C@H]1CCCOC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826419587 609526339 /nfs/dbraw/zinc/52/63/39/609526339.db2.gz DRIULHYJORELFI-LBPRGKRZSA-N -1 3 362.415 0.540 20 50 FCGDHM O=C(NCC[C@H]1CCCCO1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826436332 609599064 /nfs/dbraw/zinc/59/90/64/609599064.db2.gz PZTPPTUBYBLTKD-CYBMUJFWSA-N -1 3 359.390 0.770 20 50 FCGDHM O=C(NCC[C@H]1CCCCO1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826436332 609599066 /nfs/dbraw/zinc/59/90/66/609599066.db2.gz PZTPPTUBYBLTKD-CYBMUJFWSA-N -1 3 359.390 0.770 20 50 FCGDHM Cc1cnn(CCNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)c1 ZINC000737447416 945069996 /nfs/dbraw/zinc/06/99/96/945069996.db2.gz BCNDTJXTHZVLGA-NSIKDUERSA-N -1 3 365.401 0.742 20 50 FCGDHM Cc1cnc(SCC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)nc1 ZINC000737444978 945070149 /nfs/dbraw/zinc/07/01/49/945070149.db2.gz DTMXFXMFKGZIIW-UHFFFAOYSA-N -1 3 370.398 0.518 20 50 FCGDHM Cc1cnc(SCC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)nc1 ZINC000737444978 945070155 /nfs/dbraw/zinc/07/01/55/945070155.db2.gz DTMXFXMFKGZIIW-UHFFFAOYSA-N -1 3 370.398 0.518 20 50 FCGDHM Cc1cnn(CCNC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)c1 ZINC000737447415 945071476 /nfs/dbraw/zinc/07/14/76/945071476.db2.gz BCNDTJXTHZVLGA-MKMNVTDBSA-N -1 3 365.401 0.742 20 50 FCGDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NNC(=O)Cc1ccccn1 ZINC000737855092 945138727 /nfs/dbraw/zinc/13/87/27/945138727.db2.gz ZMEQIVRMQGHXEN-UHFFFAOYSA-N -1 3 351.370 0.584 20 50 FCGDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NNC(=O)Cc1ccccn1 ZINC000737855092 945138736 /nfs/dbraw/zinc/13/87/36/945138736.db2.gz ZMEQIVRMQGHXEN-UHFFFAOYSA-N -1 3 351.370 0.584 20 50 FCGDHM O=C(COc1cccc(-c2nnn[n-]2)c1)NNC(=O)Cc1ccccc1F ZINC000737925015 945155517 /nfs/dbraw/zinc/15/55/17/945155517.db2.gz MAROOCFMSKZURS-UHFFFAOYSA-N -1 3 370.344 0.775 20 50 FCGDHM O=C(COc1cccc(-c2nn[n-]n2)c1)NNC(=O)Cc1ccccc1F ZINC000737925015 945155529 /nfs/dbraw/zinc/15/55/29/945155529.db2.gz MAROOCFMSKZURS-UHFFFAOYSA-N -1 3 370.344 0.775 20 50 FCGDHM O=C(CSc1ncccn1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000737954300 945164757 /nfs/dbraw/zinc/16/47/57/945164757.db2.gz XJJSQEFAMYXDTR-UHFFFAOYSA-N -1 3 356.371 0.210 20 50 FCGDHM O=C(CSc1ncccn1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000737954300 945164760 /nfs/dbraw/zinc/16/47/60/945164760.db2.gz XJJSQEFAMYXDTR-UHFFFAOYSA-N -1 3 356.371 0.210 20 50 FCGDHM O=C(Cc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000737968407 945168252 /nfs/dbraw/zinc/16/82/52/945168252.db2.gz GJLQEUBGSWAFQF-UHFFFAOYSA-N -1 3 367.325 0.779 20 50 FCGDHM O=C(Cc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000737968407 945168265 /nfs/dbraw/zinc/16/82/65/945168265.db2.gz GJLQEUBGSWAFQF-UHFFFAOYSA-N -1 3 367.325 0.779 20 50 FCGDHM O=C(NCC1CCSCC1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000738052861 945178702 /nfs/dbraw/zinc/17/87/02/945178702.db2.gz WDCFKSUCCRBXMS-UHFFFAOYSA-N -1 3 361.431 0.954 20 50 FCGDHM O=C(NCC1CCSCC1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000738052861 945178708 /nfs/dbraw/zinc/17/87/08/945178708.db2.gz WDCFKSUCCRBXMS-UHFFFAOYSA-N -1 3 361.431 0.954 20 50 FCGDHM O=C(NNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1)C1CCC1 ZINC000738129692 945205363 /nfs/dbraw/zinc/20/53/63/945205363.db2.gz HKUDUZMNOZRXJK-CQSZACIVSA-N -1 3 355.402 0.783 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccc(NC2CC2)nc1 ZINC000738134039 945214664 /nfs/dbraw/zinc/21/46/64/945214664.db2.gz DFSZUQZPLRXXNH-UHFFFAOYSA-N -1 3 364.369 0.911 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccc(NC2CC2)nc1 ZINC000738134039 945214676 /nfs/dbraw/zinc/21/46/76/945214676.db2.gz DFSZUQZPLRXXNH-UHFFFAOYSA-N -1 3 364.369 0.911 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nnn[n-]2)c1)Nn1cnc2ccccc21 ZINC000738134714 945223163 /nfs/dbraw/zinc/22/31/63/945223163.db2.gz RMLIMNYLXALMQG-UHFFFAOYSA-N -1 3 363.341 0.815 20 50 FCGDHM O=C(NNC(=O)c1cccc(-c2nn[n-]n2)c1)Nn1cnc2ccccc21 ZINC000738134714 945223183 /nfs/dbraw/zinc/22/31/83/945223183.db2.gz RMLIMNYLXALMQG-UHFFFAOYSA-N -1 3 363.341 0.815 20 50 FCGDHM CC(C)(C)S(=O)(=O)CCNC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000819950336 945317433 /nfs/dbraw/zinc/31/74/33/945317433.db2.gz IVQSDGLTDNENPL-UHFFFAOYSA-N -1 3 367.435 0.706 20 50 FCGDHM CC(C)(C)S(=O)(=O)CCNC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000819950336 945317441 /nfs/dbraw/zinc/31/74/41/945317441.db2.gz IVQSDGLTDNENPL-UHFFFAOYSA-N -1 3 367.435 0.706 20 50 FCGDHM CC(C)(CO)CCCNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000819984624 945323880 /nfs/dbraw/zinc/32/38/80/945323880.db2.gz ZJYMSRLIJVTCPR-UHFFFAOYSA-N -1 3 361.406 0.609 20 50 FCGDHM CC(C)(CO)CCCNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000819984624 945323893 /nfs/dbraw/zinc/32/38/93/945323893.db2.gz ZJYMSRLIJVTCPR-UHFFFAOYSA-N -1 3 361.406 0.609 20 50 FCGDHM CC(C)[C@H]1OCC[C@H]1CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000820045912 945336930 /nfs/dbraw/zinc/33/69/30/945336930.db2.gz OMOPKGFTADWCDB-UONOGXRCSA-N -1 3 373.417 0.872 20 50 FCGDHM CC(C)[C@H]1OCC[C@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000820045912 945336938 /nfs/dbraw/zinc/33/69/38/945336938.db2.gz OMOPKGFTADWCDB-UONOGXRCSA-N -1 3 373.417 0.872 20 50 FCGDHM CC(C)CO[C@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000820096900 945349566 /nfs/dbraw/zinc/34/95/66/945349566.db2.gz ICDJTNUPSNMKOT-AWEZNQCLSA-N -1 3 373.417 0.968 20 50 FCGDHM CC(C)CO[C@H]1CCN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000820096900 945349580 /nfs/dbraw/zinc/34/95/80/945349580.db2.gz ICDJTNUPSNMKOT-AWEZNQCLSA-N -1 3 373.417 0.968 20 50 FCGDHM CC(C)(C)C(=O)NCCCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735589926 944676595 /nfs/dbraw/zinc/67/65/95/944676595.db2.gz RBOOCXOZHGYBOE-UHFFFAOYSA-N -1 3 373.417 0.570 20 50 FCGDHM CC(C)(C)C(=O)NCCCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735589926 944676601 /nfs/dbraw/zinc/67/66/01/944676601.db2.gz RBOOCXOZHGYBOE-UHFFFAOYSA-N -1 3 373.417 0.570 20 50 FCGDHM CC(C)C(=O)NNC(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735684887 944691630 /nfs/dbraw/zinc/69/16/30/944691630.db2.gz KKFDKSSVDPUUFB-UHFFFAOYSA-N -1 3 373.421 0.217 20 50 FCGDHM CC(C)C(=O)NNC(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735684887 944691635 /nfs/dbraw/zinc/69/16/35/944691635.db2.gz KKFDKSSVDPUUFB-UHFFFAOYSA-N -1 3 373.421 0.217 20 50 FCGDHM CC(C)CCOCCNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735819984 944702944 /nfs/dbraw/zinc/70/29/44/944702944.db2.gz NGXWHHPKEVRBFH-UHFFFAOYSA-N -1 3 361.406 0.873 20 50 FCGDHM CC(C)CCOCCNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735819984 944702951 /nfs/dbraw/zinc/70/29/51/944702951.db2.gz NGXWHHPKEVRBFH-UHFFFAOYSA-N -1 3 361.406 0.873 20 50 FCGDHM CC(C)CN(CC(=O)NNC(=O)C1CC1)c1ccc(-c2nn[n-]n2)cc1 ZINC000735827065 944703858 /nfs/dbraw/zinc/70/38/58/944703858.db2.gz CGKWYTASPSGSSB-UHFFFAOYSA-N -1 3 357.418 0.887 20 50 FCGDHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736096508 944737261 /nfs/dbraw/zinc/73/72/61/944737261.db2.gz MVXALCTVFQWCCJ-SECBINFHSA-N -1 3 359.390 0.179 20 50 FCGDHM C[C@@H](NC(=O)C(C)(C)C)C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736096508 944737264 /nfs/dbraw/zinc/73/72/64/944737264.db2.gz MVXALCTVFQWCCJ-SECBINFHSA-N -1 3 359.390 0.179 20 50 FCGDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNC(=O)Cc1ccccn1 ZINC000736184869 944755090 /nfs/dbraw/zinc/75/50/90/944755090.db2.gz ONEUEJULYNYKBW-NSHDSACASA-N -1 3 367.369 0.419 20 50 FCGDHM C[C@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNC(=O)Cc1ccccn1 ZINC000736184869 944755104 /nfs/dbraw/zinc/75/51/04/944755104.db2.gz ONEUEJULYNYKBW-NSHDSACASA-N -1 3 367.369 0.419 20 50 FCGDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNC(=O)Cc1cccnc1 ZINC000736184826 944756277 /nfs/dbraw/zinc/75/62/77/944756277.db2.gz OAGGLINXXBVOBY-LLVKDONJSA-N -1 3 367.369 0.419 20 50 FCGDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNC(=O)Cc1cccnc1 ZINC000736184826 944756280 /nfs/dbraw/zinc/75/62/80/944756280.db2.gz OAGGLINXXBVOBY-LLVKDONJSA-N -1 3 367.369 0.419 20 50 FCGDHM CCC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736304287 944794626 /nfs/dbraw/zinc/79/46/26/944794626.db2.gz OHGQRFZHYLVWGT-CYBMUJFWSA-N -1 3 371.401 0.276 20 50 FCGDHM CCC(=O)N1CCC[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736304287 944794633 /nfs/dbraw/zinc/79/46/33/944794633.db2.gz OHGQRFZHYLVWGT-CYBMUJFWSA-N -1 3 371.401 0.276 20 50 FCGDHM CCC(CC)[C@H](O)CNC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000736338573 944805138 /nfs/dbraw/zinc/80/51/38/944805138.db2.gz XXCWSKVRNJOMLE-CYBMUJFWSA-N -1 3 361.406 0.608 20 50 FCGDHM CCC(CC)[C@H](O)CNC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000736338573 944805148 /nfs/dbraw/zinc/80/51/48/944805148.db2.gz XXCWSKVRNJOMLE-CYBMUJFWSA-N -1 3 361.406 0.608 20 50 FCGDHM CCN(CC(=O)N(C)C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736512554 944838071 /nfs/dbraw/zinc/83/80/71/944838071.db2.gz QDMPCFZHELXNHK-NTUHNPAUSA-N -1 3 370.417 0.357 20 50 FCGDHM CCN(CC(=O)N(C)C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736512554 944838080 /nfs/dbraw/zinc/83/80/80/944838080.db2.gz QDMPCFZHELXNHK-NTUHNPAUSA-N -1 3 370.417 0.357 20 50 FCGDHM CCOC(=O)[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736587800 944848629 /nfs/dbraw/zinc/84/86/29/944848629.db2.gz ZNBVNCJTZRNMAF-TXEUWIOXSA-N -1 3 357.374 0.488 20 50 FCGDHM CCOC(=O)[C@H](C)NC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736587800 944848632 /nfs/dbraw/zinc/84/86/32/944848632.db2.gz ZNBVNCJTZRNMAF-TXEUWIOXSA-N -1 3 357.374 0.488 20 50 FCGDHM CCOC[C@H]1CCCN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000736609713 944854249 /nfs/dbraw/zinc/85/42/49/944854249.db2.gz QUPMKDZTFNNQMD-LBPRGKRZSA-N -1 3 373.417 0.970 20 50 FCGDHM CCOC[C@H]1CCCN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000736609713 944854257 /nfs/dbraw/zinc/85/42/57/944854257.db2.gz QUPMKDZTFNNQMD-LBPRGKRZSA-N -1 3 373.417 0.970 20 50 FCGDHM CN(C)c1nccc(=NNC(=O)COc2cccc(-c3nn[n-]n3)c2)[nH]1 ZINC000736777759 944888553 /nfs/dbraw/zinc/88/85/53/944888553.db2.gz BWUURVRZWCNZQQ-UHFFFAOYSA-N -1 3 355.362 0.245 20 50 FCGDHM CN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)NNC(=O)Cc1ccccn1 ZINC000736817495 944896023 /nfs/dbraw/zinc/89/60/23/944896023.db2.gz BCZLDOSXPQUSTC-UHFFFAOYSA-N -1 3 366.385 0.677 20 50 FCGDHM CN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)Cc1ccccn1 ZINC000736817495 944896030 /nfs/dbraw/zinc/89/60/30/944896030.db2.gz BCZLDOSXPQUSTC-UHFFFAOYSA-N -1 3 366.385 0.677 20 50 FCGDHM CNC(=O)CCN(C)C(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000736870393 944903682 /nfs/dbraw/zinc/90/36/82/944903682.db2.gz HECJYMNQAVATKE-KPKJPENVSA-N -1 3 356.390 0.015 20 50 FCGDHM CNC(=O)CCN(C)C(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000736870393 944903693 /nfs/dbraw/zinc/90/36/93/944903693.db2.gz HECJYMNQAVATKE-KPKJPENVSA-N -1 3 356.390 0.015 20 50 FCGDHM CO[C@@H](C)CCNC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000736957716 944919387 /nfs/dbraw/zinc/91/93/87/944919387.db2.gz KDGSZUZGPMLWPP-JTQLQIEISA-N -1 3 363.378 0.001 20 50 FCGDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NNc1cnccn1 ZINC000737032877 944937676 /nfs/dbraw/zinc/93/76/76/944937676.db2.gz LFOVDQWXFDTAOS-UHFFFAOYSA-N -1 3 370.373 0.968 20 50 FCGDHM COc1cc(-c2nn[n-]n2)ccc1OCCCC(=O)NNc1cnccn1 ZINC000737032877 944937679 /nfs/dbraw/zinc/93/76/79/944937679.db2.gz LFOVDQWXFDTAOS-UHFFFAOYSA-N -1 3 370.373 0.968 20 50 FCGDHM COc1ccc2c(c1)C(=NNC(=O)c1cccc(-c3nnn[n-]3)c1)C(=O)N2 ZINC000737117295 944961303 /nfs/dbraw/zinc/96/13/03/944961303.db2.gz ZOMJCWBLSBETOO-UHFFFAOYSA-N -1 3 363.337 0.962 20 50 FCGDHM COc1ccc2c(c1)C(=NNC(=O)c1cccc(-c3nn[n-]n3)c1)C(=O)N2 ZINC000737117295 944961306 /nfs/dbraw/zinc/96/13/06/944961306.db2.gz ZOMJCWBLSBETOO-UHFFFAOYSA-N -1 3 363.337 0.962 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCOCC2CC2)cc(-c2nnn[n-]2)n1C ZINC000737212338 944991260 /nfs/dbraw/zinc/99/12/60/944991260.db2.gz ICTMMIMXTKRJGU-AUWJEWJLSA-N -1 3 355.402 0.963 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCCOCC2CC2)cc(-c2nn[n-]n2)n1C ZINC000737212338 944991263 /nfs/dbraw/zinc/99/12/63/944991263.db2.gz ICTMMIMXTKRJGU-AUWJEWJLSA-N -1 3 355.402 0.963 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC(=O)OC(C)(C)C)cc(-c2nnn[n-]2)n1C ZINC000737213528 945003416 /nfs/dbraw/zinc/00/34/16/945003416.db2.gz UZKKIHQENJYQEV-WUXMJOGZSA-N -1 3 371.401 0.879 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NCC(=O)OC(C)(C)C)cc(-c2nn[n-]n2)n1C ZINC000737213528 945003421 /nfs/dbraw/zinc/00/34/21/945003421.db2.gz UZKKIHQENJYQEV-WUXMJOGZSA-N -1 3 371.401 0.879 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCC(=O)N(C)C2)cc(-c2nnn[n-]2)n1C ZINC000737214002 945011681 /nfs/dbraw/zinc/01/16/81/945011681.db2.gz ZLWNETDZWCYKON-XEVNVYFWSA-N -1 3 368.401 0.158 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H]2CCC(=O)N(C)C2)cc(-c2nn[n-]n2)n1C ZINC000737214002 945011691 /nfs/dbraw/zinc/01/16/91/945011691.db2.gz ZLWNETDZWCYKON-XEVNVYFWSA-N -1 3 368.401 0.158 20 50 FCGDHM Cc1ccc([C@@H](O)CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000737318082 945036446 /nfs/dbraw/zinc/03/64/46/945036446.db2.gz AZVZTZXGTOSNCU-LBPRGKRZSA-N -1 3 371.357 0.446 20 50 FCGDHM Cc1ccc([C@@H](O)CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000737318082 945036463 /nfs/dbraw/zinc/03/64/63/945036463.db2.gz AZVZTZXGTOSNCU-LBPRGKRZSA-N -1 3 371.357 0.446 20 50 FCGDHM Cc1cccc(CNC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000737394842 945055833 /nfs/dbraw/zinc/05/58/33/945055833.db2.gz YJKIXXGDUDPQAG-UHFFFAOYSA-N -1 3 352.358 0.714 20 50 FCGDHM Cc1cccc(CNC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000737394842 945055846 /nfs/dbraw/zinc/05/58/46/945055846.db2.gz YJKIXXGDUDPQAG-UHFFFAOYSA-N -1 3 352.358 0.714 20 50 FCGDHM CC(C)c1nnc(CCC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820206755 945383466 /nfs/dbraw/zinc/38/34/66/945383466.db2.gz ZDWAFJCUGVSZIT-UHFFFAOYSA-N -1 3 370.373 0.767 20 50 FCGDHM CC(C)c1nnc(CCC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000820206755 945383475 /nfs/dbraw/zinc/38/34/75/945383475.db2.gz ZDWAFJCUGVSZIT-UHFFFAOYSA-N -1 3 370.373 0.767 20 50 FCGDHM CC(C)n1ccc(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000820215099 945385907 /nfs/dbraw/zinc/38/59/07/945385907.db2.gz SZEGCRPWPRWQGO-UHFFFAOYSA-N -1 3 354.374 0.648 20 50 FCGDHM CC(C)n1ccc(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000820215099 945385918 /nfs/dbraw/zinc/38/59/18/945385918.db2.gz SZEGCRPWPRWQGO-UHFFFAOYSA-N -1 3 354.374 0.648 20 50 FCGDHM C[C@@H](O)[C@H](C)SCC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000820467538 945457161 /nfs/dbraw/zinc/45/71/61/945457161.db2.gz JKFCFRKCKKTMQK-BDAKNGLRSA-N -1 3 350.404 0.130 20 50 FCGDHM C[C@@H](O)[C@H](C)SCC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000820467538 945457173 /nfs/dbraw/zinc/45/71/73/945457173.db2.gz JKFCFRKCKKTMQK-BDAKNGLRSA-N -1 3 350.404 0.130 20 50 FCGDHM C[C@@](O)(CNC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccco1 ZINC000820467475 945457883 /nfs/dbraw/zinc/45/78/83/945457883.db2.gz HZVYQOYBUGVDRK-MRXNPFEDSA-N -1 3 371.357 0.311 20 50 FCGDHM C[C@@](O)(CNC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccco1 ZINC000820467475 945457888 /nfs/dbraw/zinc/45/78/88/945457888.db2.gz HZVYQOYBUGVDRK-MRXNPFEDSA-N -1 3 371.357 0.311 20 50 FCGDHM C[C@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNC(=O)[C@H]1CCCS1 ZINC000820529227 945477256 /nfs/dbraw/zinc/47/72/56/945477256.db2.gz PUWXOBXMSDPXFK-JOYOIKCWSA-N -1 3 362.415 0.677 20 50 FCGDHM C[C@@H]1CN(C2CC2)CC1=NNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000820752479 945547684 /nfs/dbraw/zinc/54/76/84/945547684.db2.gz NOHUOQJFUBQKQZ-LLVKDONJSA-N -1 3 355.402 0.832 20 50 FCGDHM C[C@@H]1CN(C2CC2)CC1=NNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000820752479 945547694 /nfs/dbraw/zinc/54/76/94/945547694.db2.gz NOHUOQJFUBQKQZ-LLVKDONJSA-N -1 3 355.402 0.832 20 50 FCGDHM CC[C@H](C(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)N1CCCC1=O ZINC000820843454 945570753 /nfs/dbraw/zinc/57/07/53/945570753.db2.gz ZTSFDAYVQXYHBS-GFCCVEGCSA-N -1 3 357.374 0.029 20 50 FCGDHM CC[C@H](C(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)N1CCCC1=O ZINC000820843454 945570758 /nfs/dbraw/zinc/57/07/58/945570758.db2.gz ZTSFDAYVQXYHBS-GFCCVEGCSA-N -1 3 357.374 0.029 20 50 FCGDHM CCC[C@@H](C)CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000821014248 945611177 /nfs/dbraw/zinc/61/11/77/945611177.db2.gz CMVCLUCVRJZILI-LLVKDONJSA-N -1 3 374.401 0.997 20 50 FCGDHM CCC[C@@H](C)CC(=O)OCC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000821014248 945611184 /nfs/dbraw/zinc/61/11/84/945611184.db2.gz CMVCLUCVRJZILI-LLVKDONJSA-N -1 3 374.401 0.997 20 50 FCGDHM CCCNC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821114331 945637907 /nfs/dbraw/zinc/63/79/07/945637907.db2.gz OJFYNPWWHJNJGA-HKMIMPICSA-N -1 3 371.401 0.879 20 50 FCGDHM CCCNC(=O)[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821114331 945637913 /nfs/dbraw/zinc/63/79/13/945637913.db2.gz OJFYNPWWHJNJGA-HKMIMPICSA-N -1 3 371.401 0.879 20 50 FCGDHM CCCNC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000821114332 945638398 /nfs/dbraw/zinc/63/83/98/945638398.db2.gz OJFYNPWWHJNJGA-NUBYWOLOSA-N -1 3 371.401 0.879 20 50 FCGDHM CCCNC(=O)[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000821114332 945638400 /nfs/dbraw/zinc/63/84/00/945638400.db2.gz OJFYNPWWHJNJGA-NUBYWOLOSA-N -1 3 371.401 0.879 20 50 FCGDHM COc1ccc(C(=O)NNC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1OC ZINC000821772744 945857985 /nfs/dbraw/zinc/85/79/85/945857985.db2.gz OASDHGKNAFWRSS-UHFFFAOYSA-N -1 3 371.357 0.297 20 50 FCGDHM COc1ccc(C(=O)NNC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1OC ZINC000821772744 945858000 /nfs/dbraw/zinc/85/80/00/945858000.db2.gz OASDHGKNAFWRSS-UHFFFAOYSA-N -1 3 371.357 0.297 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@@H]2CCOC2)cc(-c2nnn[n-]2)n1C ZINC000822020699 945923538 /nfs/dbraw/zinc/92/35/38/945923538.db2.gz HDNDFVDLTVLQRY-VWBIBIBXSA-N -1 3 355.402 0.916 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@@H]2CCOC2)cc(-c2nn[n-]n2)n1C ZINC000822020699 945923547 /nfs/dbraw/zinc/92/35/47/945923547.db2.gz HDNDFVDLTVLQRY-VWBIBIBXSA-N -1 3 355.402 0.916 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@@H](O)C2CC2)cc(-c2nnn[n-]2)n1C ZINC000822020645 945923705 /nfs/dbraw/zinc/92/37/05/945923705.db2.gz GBMLOHXJJQFXLG-MRHLJLSQSA-N -1 3 355.402 0.650 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N(C)C[C@@H](O)C2CC2)cc(-c2nn[n-]n2)n1C ZINC000822020645 945923716 /nfs/dbraw/zinc/92/37/16/945923716.db2.gz GBMLOHXJJQFXLG-MRHLJLSQSA-N -1 3 355.402 0.650 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCC[C@@H]2O)cc(-c2nnn[n-]2)n1C ZINC000822028273 945942386 /nfs/dbraw/zinc/94/23/86/945942386.db2.gz MXKMUSQNRYLELD-LWAZWVBVSA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCC[C@@H]2O)cc(-c2nn[n-]n2)n1C ZINC000822028273 945942394 /nfs/dbraw/zinc/94/23/94/945942394.db2.gz MXKMUSQNRYLELD-LWAZWVBVSA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000822462654 946096250 /nfs/dbraw/zinc/09/62/50/946096250.db2.gz KQJBWWZMKGHCBA-LBPRGKRZSA-N -1 3 354.378 0.928 20 50 FCGDHM Cc1nc2n(n1)CCC[C@@H]2NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000822462654 946096263 /nfs/dbraw/zinc/09/62/63/946096263.db2.gz KQJBWWZMKGHCBA-LBPRGKRZSA-N -1 3 354.378 0.928 20 50 FCGDHM Cc1nc2ccccn2c1C(=O)NNC(=O)c1cc(-c2nnn[n-]2)cn1C ZINC000822462661 946097771 /nfs/dbraw/zinc/09/77/71/946097771.db2.gz KZBZACKNAHDWEF-UHFFFAOYSA-N -1 3 365.357 0.236 20 50 FCGDHM Cc1nc2ccccn2c1C(=O)NNC(=O)c1cc(-c2nn[n-]n2)cn1C ZINC000822462661 946097780 /nfs/dbraw/zinc/09/77/80/946097780.db2.gz KZBZACKNAHDWEF-UHFFFAOYSA-N -1 3 365.357 0.236 20 50 FCGDHM Cc1nnc([C@@H](C)NC(=O)C(C#N)=Cc2cc(-c3nnn[n-]3)n(C)c2C)o1 ZINC000822510246 946107766 /nfs/dbraw/zinc/10/77/66/946107766.db2.gz KGALDYHORKBVQG-ZXWSLBRVSA-N -1 3 367.373 0.989 20 50 FCGDHM Cc1nnc([C@@H](C)NC(=O)C(C#N)=Cc2cc(-c3nn[n-]n3)n(C)c2C)o1 ZINC000822510246 946107774 /nfs/dbraw/zinc/10/77/74/946107774.db2.gz KGALDYHORKBVQG-ZXWSLBRVSA-N -1 3 367.373 0.989 20 50 FCGDHM Cc1nncn1CCNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000822519226 946112012 /nfs/dbraw/zinc/11/20/12/946112012.db2.gz CIMBQLMDQIBOLR-AWNIVKPZSA-N -1 3 366.389 0.137 20 50 FCGDHM Cc1nncn1CCNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000822519226 946112019 /nfs/dbraw/zinc/11/20/19/946112019.db2.gz CIMBQLMDQIBOLR-AWNIVKPZSA-N -1 3 366.389 0.137 20 50 FCGDHM Cn1ncc2cc(C(=O)NNC(=O)c3cccc(-c4nnn[n-]4)c3)cnc21 ZINC000822709565 946164504 /nfs/dbraw/zinc/16/45/04/946164504.db2.gz NTHHRVLCQLEYRY-UHFFFAOYSA-N -1 3 363.341 0.223 20 50 FCGDHM Cn1ncc2cc(C(=O)NNC(=O)c3cccc(-c4nn[n-]n4)c3)cnc21 ZINC000822709565 946164517 /nfs/dbraw/zinc/16/45/17/946164517.db2.gz NTHHRVLCQLEYRY-UHFFFAOYSA-N -1 3 363.341 0.223 20 50 FCGDHM O=C(COC(=O)Cc1ccco1)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823022781 946279707 /nfs/dbraw/zinc/27/97/07/946279707.db2.gz OIULYDAJBADIBZ-UHFFFAOYSA-N -1 3 370.325 0.007 20 50 FCGDHM O=C(COC(=O)Cc1ccco1)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823022781 946279717 /nfs/dbraw/zinc/27/97/17/946279717.db2.gz OIULYDAJBADIBZ-UHFFFAOYSA-N -1 3 370.325 0.007 20 50 FCGDHM O=C(COc1ccc(-c2nn[n-]n2)cc1)NN=c1nc[nH]c2[nH]cnc21 ZINC000823036990 946287809 /nfs/dbraw/zinc/28/78/09/946287809.db2.gz PHWBKGHTQHWTSA-UHFFFAOYSA-N -1 3 352.318 0.055 20 50 FCGDHM O=C(Cc1ccc(F)cc1)NNC(=O)Cc1cccc(-c2nnn[n-]2)c1 ZINC000823082824 946306783 /nfs/dbraw/zinc/30/67/83/946306783.db2.gz RXHYXKOKIMIBDL-UHFFFAOYSA-N -1 3 354.345 0.938 20 50 FCGDHM O=C(Cc1ccc(F)cc1)NNC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000823082824 946306789 /nfs/dbraw/zinc/30/67/89/946306789.db2.gz RXHYXKOKIMIBDL-UHFFFAOYSA-N -1 3 354.345 0.938 20 50 FCGDHM O=C(Cn1ccc2ccccc21)NNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823123150 946323882 /nfs/dbraw/zinc/32/38/82/946323882.db2.gz PMZZDKBWKFLYTF-UHFFFAOYSA-N -1 3 350.342 0.611 20 50 FCGDHM O=C(Cn1ccc2ccccc21)NNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823123150 946323891 /nfs/dbraw/zinc/32/38/91/946323891.db2.gz PMZZDKBWKFLYTF-UHFFFAOYSA-N -1 3 350.342 0.611 20 50 FCGDHM O=C(NCCCc1ccccn1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823196917 946340790 /nfs/dbraw/zinc/34/07/90/946340790.db2.gz MPQNLRSKKPBITG-UHFFFAOYSA-N -1 3 366.385 0.839 20 50 FCGDHM O=C(NCCCc1ccccn1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823196917 946340798 /nfs/dbraw/zinc/34/07/98/946340798.db2.gz MPQNLRSKKPBITG-UHFFFAOYSA-N -1 3 366.385 0.839 20 50 FCGDHM C[C@@H]1N(CC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCOC1(C)C ZINC000825011941 947042388 /nfs/dbraw/zinc/04/23/88/947042388.db2.gz ANRUOWYSDDUSQA-NSHDSACASA-N -1 3 373.417 0.127 20 50 FCGDHM C[C@@H]1N(CC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCOC1(C)C ZINC000825011941 947042402 /nfs/dbraw/zinc/04/24/02/947042402.db2.gz ANRUOWYSDDUSQA-NSHDSACASA-N -1 3 373.417 0.127 20 50 FCGDHM CC(C)(C)OC(=O)N1CCO[C@](C(=O)[O-])(C(=O)NNc2ccncc2)C1 ZINC001602893517 971812290 /nfs/dbraw/zinc/81/22/90/971812290.db2.gz ZZFLIOFDHRNVAO-INIZCTEOSA-N -1 3 366.374 0.037 20 50 FCGDHM CC(C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)S(=O)(=O)C1CCOCC1 ZINC001589422640 986667216 /nfs/dbraw/zinc/66/72/16/986667216.db2.gz GWNXPSMBAZXBQU-VIFPVBQESA-N -1 3 357.388 0.205 20 50 FCGDHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826233890 607334224 /nfs/dbraw/zinc/33/42/24/607334224.db2.gz YTOLYEZAIKLMNC-UHFFFAOYSA-N -1 3 365.357 0.197 20 50 FCGDHM Cc1[nH]c2ccnn2c(=O)c1CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826233890 607334226 /nfs/dbraw/zinc/33/42/26/607334226.db2.gz YTOLYEZAIKLMNC-UHFFFAOYSA-N -1 3 365.357 0.197 20 50 FCGDHM Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c2c(=O)[nH]n(C)c2n1 ZINC000826259887 607342836 /nfs/dbraw/zinc/34/28/36/607342836.db2.gz LBQXDRLPARTZGA-UHFFFAOYSA-N -1 3 365.357 0.919 20 50 FCGDHM O=C(CNC(=O)NC1CCCCC1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826412042 607345729 /nfs/dbraw/zinc/34/57/29/607345729.db2.gz YYDPOIQWZUTJPV-UHFFFAOYSA-N -1 3 358.406 0.942 20 50 FCGDHM C[C@]1(C2CC2)NC(=O)N(CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000824816561 607350031 /nfs/dbraw/zinc/35/00/31/607350031.db2.gz GEOWOPSFFOECDG-MRXNPFEDSA-N -1 3 370.373 0.030 20 50 FCGDHM CNS(=O)(=O)c1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826090633 607355105 /nfs/dbraw/zinc/35/51/05/607355105.db2.gz KEAFMXFWAFXURP-UHFFFAOYSA-N -1 3 373.398 0.532 20 50 FCGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)[C@@H]1CCNC(=O)C1 ZINC000826479131 607395704 /nfs/dbraw/zinc/39/57/04/607395704.db2.gz RBUNICJWDFKZPN-SSDOTTSWSA-N -1 3 369.307 0.855 20 50 FCGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)[C@@H]1CCNC(=O)C1 ZINC000826479131 607395706 /nfs/dbraw/zinc/39/57/06/607395706.db2.gz RBUNICJWDFKZPN-SSDOTTSWSA-N -1 3 369.307 0.855 20 50 FCGDHM O=C(CNC(=O)c1ccc(-c2nnn[n-]2)cc1)NNc1ccc(F)cc1 ZINC000826411705 607456146 /nfs/dbraw/zinc/45/61/46/607456146.db2.gz JPVUUXXLNVLROC-UHFFFAOYSA-N -1 3 355.333 0.879 20 50 FCGDHM O=C(CNC(=O)c1ccc(-c2nn[n-]n2)cc1)NNc1ccc(F)cc1 ZINC000826411705 607456148 /nfs/dbraw/zinc/45/61/48/607456148.db2.gz JPVUUXXLNVLROC-UHFFFAOYSA-N -1 3 355.333 0.879 20 50 FCGDHM O=C(NNC(=O)N1CC[C@@H]([C@H]2CCOC2)C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826444756 607538289 /nfs/dbraw/zinc/53/82/89/607538289.db2.gz SOQYPOFHZFLHAP-KGLIPLIRSA-N -1 3 371.401 0.580 20 50 FCGDHM O=C(NNC(=O)N1CC[C@@H]([C@H]2CCOC2)C1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826444756 607538290 /nfs/dbraw/zinc/53/82/90/607538290.db2.gz SOQYPOFHZFLHAP-KGLIPLIRSA-N -1 3 371.401 0.580 20 50 FCGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000826448540 607723732 /nfs/dbraw/zinc/72/37/32/607723732.db2.gz ZEYKKHXVBNYTMM-GFCCVEGCSA-N -1 3 367.369 0.952 20 50 FCGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000826448540 607723734 /nfs/dbraw/zinc/72/37/34/607723734.db2.gz ZEYKKHXVBNYTMM-GFCCVEGCSA-N -1 3 367.369 0.952 20 50 FCGDHM NS(=O)(=O)c1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826394748 607724907 /nfs/dbraw/zinc/72/49/07/607724907.db2.gz XIWAMVINYASFGZ-UHFFFAOYSA-N -1 3 365.400 0.333 20 50 FCGDHM CS(=O)(=O)Nc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000826223785 607731323 /nfs/dbraw/zinc/73/13/23/607731323.db2.gz ZTMMXCHEEMLBEU-UHFFFAOYSA-N -1 3 373.398 0.995 20 50 FCGDHM Cc1cccnc1C(=O)[N-]NC(=O)CNc1ccc(-c2nn[nH]n2)cc1 ZINC000826308372 607763454 /nfs/dbraw/zinc/76/34/54/607763454.db2.gz WOQJMOJCZCXKPO-UHFFFAOYSA-N -1 3 352.358 0.443 20 50 FCGDHM O=C(NN=c1nc(N2CCOCC2)cc[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000823285389 606830714 /nfs/dbraw/zinc/83/07/14/606830714.db2.gz RTEMGOUVYREXPA-UHFFFAOYSA-N -1 3 367.373 0.250 20 50 FCGDHM O=C(NN=c1nc(N2CCOCC2)cc[nH]1)c1cccc(-c2nn[n-]n2)c1 ZINC000823285389 606830716 /nfs/dbraw/zinc/83/07/16/606830716.db2.gz RTEMGOUVYREXPA-UHFFFAOYSA-N -1 3 367.373 0.250 20 50 FCGDHM O=C(CCC(=O)NC1CCCC1)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826404961 607894116 /nfs/dbraw/zinc/89/41/16/607894116.db2.gz RDHIAPOVBVJBRC-UHFFFAOYSA-N -1 3 371.401 0.467 20 50 FCGDHM O=C(CCC(=O)NC1CCCC1)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826404961 607894117 /nfs/dbraw/zinc/89/41/17/607894117.db2.gz RDHIAPOVBVJBRC-UHFFFAOYSA-N -1 3 371.401 0.467 20 50 FCGDHM CCN(CC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)C[C@H]1CCCO1 ZINC000825395682 607922545 /nfs/dbraw/zinc/92/25/45/607922545.db2.gz UMKRKKXCVBCWTQ-CQSZACIVSA-N -1 3 373.417 0.129 20 50 FCGDHM CS[C@@H](C)CC(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826224933 607931023 /nfs/dbraw/zinc/93/10/23/607931023.db2.gz PIIAQOFSTVUUQL-VIFPVBQESA-N -1 3 350.404 0.535 20 50 FCGDHM O=C(NNC(=O)[C@@H]1CCc2n[nH]cc2C1)c1cccc(-c2nn[n-]n2)c1 ZINC000826444585 607938564 /nfs/dbraw/zinc/93/85/64/607938564.db2.gz MGLVUJFIWRWSSP-LLVKDONJSA-N -1 3 352.358 0.156 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CCO)C2CC2)cc(-c2nnn[n-]2)n1C ZINC000826235776 607940875 /nfs/dbraw/zinc/94/08/75/607940875.db2.gz QUCSIWXXSNGOKQ-GUNGLEHYSA-N -1 3 355.402 0.698 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@@H](CCO)C2CC2)cc(-c2nn[n-]n2)n1C ZINC000826235776 607940876 /nfs/dbraw/zinc/94/08/76/607940876.db2.gz QUCSIWXXSNGOKQ-GUNGLEHYSA-N -1 3 355.402 0.698 20 50 FCGDHM CCC[C@H]1CN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCO1 ZINC000825254539 607979151 /nfs/dbraw/zinc/97/91/51/607979151.db2.gz UDNXYYDREBNBBN-ZDUSSCGKSA-N -1 3 359.390 0.722 20 50 FCGDHM CCC[C@H]1CN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCO1 ZINC000825254539 607979152 /nfs/dbraw/zinc/97/91/52/607979152.db2.gz UDNXYYDREBNBBN-ZDUSSCGKSA-N -1 3 359.390 0.722 20 50 FCGDHM CCC[C@H]1CN(C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000825251601 607979241 /nfs/dbraw/zinc/97/92/41/607979241.db2.gz CQDDJXQSKBXEFD-ZDUSSCGKSA-N -1 3 359.390 0.722 20 50 FCGDHM CCC[C@H]1CN(C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000825251601 607979242 /nfs/dbraw/zinc/97/92/42/607979242.db2.gz CQDDJXQSKBXEFD-ZDUSSCGKSA-N -1 3 359.390 0.722 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H](CCO)C2)cc(-c2nnn[n-]2)n1C ZINC000826235948 607995034 /nfs/dbraw/zinc/99/50/34/607995034.db2.gz VCSNCIWGMLLWSJ-AISSWFOISA-N -1 3 355.402 0.652 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N2CC[C@H](CCO)C2)cc(-c2nn[n-]n2)n1C ZINC000826235948 607995035 /nfs/dbraw/zinc/99/50/35/607995035.db2.gz VCSNCIWGMLLWSJ-AISSWFOISA-N -1 3 355.402 0.652 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC(C)(C)OC2=O)cc(-c2nnn[n-]2)n1C ZINC000826235521 608075701 /nfs/dbraw/zinc/07/57/01/608075701.db2.gz LKXDGSIMUJKATA-JVOXIWMLSA-N -1 3 369.385 0.631 20 50 FCGDHM Cc1c(C=C(C#N)C(=O)N[C@H]2CC(C)(C)OC2=O)cc(-c2nn[n-]n2)n1C ZINC000826235521 608075702 /nfs/dbraw/zinc/07/57/02/608075702.db2.gz LKXDGSIMUJKATA-JVOXIWMLSA-N -1 3 369.385 0.631 20 50 FCGDHM CC(=NNC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948789 608094531 /nfs/dbraw/zinc/09/45/31/608094531.db2.gz YBLLDLPFUXQOHH-QMMMGPOBSA-N -1 3 354.417 0.203 20 50 FCGDHM O=C(NNc1ccccn1)C(=O)Nc1cc(-c2nnn[n-]2)ccc1Cl ZINC000826449245 608141267 /nfs/dbraw/zinc/14/12/67/608141267.db2.gz JARBZQZTQBVPTA-UHFFFAOYSA-N -1 3 358.749 0.997 20 50 FCGDHM O=C(NNc1ccccn1)C(=O)Nc1cc(-c2nn[n-]n2)ccc1Cl ZINC000826449245 608141268 /nfs/dbraw/zinc/14/12/68/608141268.db2.gz JARBZQZTQBVPTA-UHFFFAOYSA-N -1 3 358.749 0.997 20 50 FCGDHM C#CCN1CCC(C(=O)NN=c2cc(-c3nnn[n-]3)cc(Cl)[nH]2)CC1 ZINC000823850005 608578124 /nfs/dbraw/zinc/57/81/24/608578124.db2.gz GSTRJHOIFYIPNA-UHFFFAOYSA-N -1 3 360.809 0.703 20 50 FCGDHM CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948447 609158879 /nfs/dbraw/zinc/15/88/79/609158879.db2.gz NDBJMJPVCLKCHI-UHFFFAOYSA-N -1 3 371.332 0.869 20 50 FCGDHM CC(=NNC(=O)CNC(=O)c1ccco1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948447 609158881 /nfs/dbraw/zinc/15/88/81/609158881.db2.gz NDBJMJPVCLKCHI-UHFFFAOYSA-N -1 3 371.332 0.869 20 50 FCGDHM CC(=NNC(=O)COc1ccc(-c2nn[n-]n2)cc1)c1cnn(C)c1C ZINC000823948225 609409560 /nfs/dbraw/zinc/40/95/60/609409560.db2.gz IEHSHXSMRIMPIM-UHFFFAOYSA-N -1 3 354.374 0.828 20 50 FCGDHM CC(C)(C)C[C@@H](CO)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824078921 609443720 /nfs/dbraw/zinc/44/37/20/609443720.db2.gz LIRXKRZHZQTPAU-LBPRGKRZSA-N -1 3 361.406 0.608 20 50 FCGDHM CC(C)(C)C[C@@H](CO)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824078921 609443722 /nfs/dbraw/zinc/44/37/22/609443722.db2.gz LIRXKRZHZQTPAU-LBPRGKRZSA-N -1 3 361.406 0.608 20 50 FCGDHM Cc1cnc([C@H](C)NC(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000826317511 609445347 /nfs/dbraw/zinc/44/53/47/609445347.db2.gz FRAARGJWUAMCHC-VIFPVBQESA-N -1 3 356.346 0.868 20 50 FCGDHM Cc1cnc([C@H](C)NC(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826317511 609445350 /nfs/dbraw/zinc/44/53/50/609445350.db2.gz FRAARGJWUAMCHC-VIFPVBQESA-N -1 3 356.346 0.868 20 50 FCGDHM Cc1cnc([C@@H](C)NC(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000826318112 609446939 /nfs/dbraw/zinc/44/69/39/609446939.db2.gz WJZNAWQJJVQNHY-SECBINFHSA-N -1 3 356.346 0.868 20 50 FCGDHM Cc1cnc([C@@H](C)NC(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000826318112 609446940 /nfs/dbraw/zinc/44/69/40/609446940.db2.gz WJZNAWQJJVQNHY-SECBINFHSA-N -1 3 356.346 0.868 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCOC1 ZINC000824498893 609600962 /nfs/dbraw/zinc/60/09/62/609600962.db2.gz MABIREVNNJYPOQ-ZWNOBZJWSA-N -1 3 359.390 0.626 20 50 FCGDHM C[C@@H](NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCOC1 ZINC000824498893 609600963 /nfs/dbraw/zinc/60/09/63/609600963.db2.gz MABIREVNNJYPOQ-ZWNOBZJWSA-N -1 3 359.390 0.626 20 50 FCGDHM