smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000738050902 945178601 /nfs/dbraw/zinc/17/86/01/945178601.db2.gz IPAXEQBZDVTHJA-KBPBESRZSA-N 1 1 358.406 0.356 20 50 FCGDMO O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000738137199 945241828 /nfs/dbraw/zinc/24/18/28/945241828.db2.gz RYHLQVFSTPKNPD-GFCCVEGCSA-N 1 1 356.390 0.047 20 50 FCGDMO C=CC1CC[NH+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819730257 945275622 /nfs/dbraw/zinc/27/56/22/945275622.db2.gz UGJIOIYFUPOKQG-UHFFFAOYSA-N 1 1 355.402 0.526 20 50 FCGDMO C[C@@H](CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[N@@H+](C)C1CC1 ZINC000736017591 944732538 /nfs/dbraw/zinc/73/25/38/944732538.db2.gz QSXMYDGXFPIKIK-JTQLQIEISA-N 1 1 358.406 0.293 20 50 FCGDMO C[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[N@H+]1C1CC1 ZINC000820656730 945511988 /nfs/dbraw/zinc/51/19/88/945511988.db2.gz GYCBOGYNSZQMEI-MFKMUULPSA-N 1 1 370.417 0.436 20 50 FCGDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820752282 945547634 /nfs/dbraw/zinc/54/76/34/945547634.db2.gz LNRYYBSYJIKBLQ-HZMBPMFUSA-N 1 1 370.417 0.293 20 50 FCGDMO C[C@@H](C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)NN=Cc1ccc(-c2nn[nH]n2)o1 ZINC000820751270 945549330 /nfs/dbraw/zinc/54/93/30/945549330.db2.gz FIXZCJJWMLJTLF-SDDRHHMPSA-N 1 1 361.406 0.655 20 50 FCGDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821255217 945660996 /nfs/dbraw/zinc/66/09/96/945660996.db2.gz WNKRZRIGZMDHRQ-CQSZACIVSA-N 1 1 372.433 0.637 20 50 FCGDMO O=C(C[N@H+]1CCC[C@H]1C1CCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410321 607922774 /nfs/dbraw/zinc/92/27/74/607922774.db2.gz JYFQQEPUEXVXIK-HNNXBMFYSA-N 1 1 369.429 0.892 20 50 FCGDMO CC[N@H+]1C[C@H](C)N(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000825445231 608236678 /nfs/dbraw/zinc/23/66/78/608236678.db2.gz YAEXSIKAIUYCEA-NEPJUHHUSA-N 1 1 372.433 0.636 20 50 FCGDMO C[C@H]1C[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1C ZINC000824957669 608377389 /nfs/dbraw/zinc/37/73/89/608377389.db2.gz YRUOLGPIUACFEE-RYUDHWBXSA-N 1 1 357.418 0.606 20 50 FCGDMO C[C@H](NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1=CC[N@@H+](C)CC1 ZINC000824498167 609316655 /nfs/dbraw/zinc/31/66/55/609316655.db2.gz CMVQLPQMFSUDEL-NSHDSACASA-N 1 1 370.417 0.461 20 50 FCGDMO Cc1[nH+]ccn1CCCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737498412 945081516 /nfs/dbraw/zinc/08/15/16/945081516.db2.gz FKTKIMJTXGUQHO-UHFFFAOYSA-N 1 1 369.389 0.406 20 50 FCGDMO CC[N@@H+](CCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C1CC1 ZINC000736537858 944841859 /nfs/dbraw/zinc/84/18/59/944841859.db2.gz XILBDTDGQRKZAO-UHFFFAOYSA-N 1 1 358.406 0.295 20 50 FCGDMO CC[N@H+]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)CC1 ZINC000736571035 944846694 /nfs/dbraw/zinc/84/66/94/944846694.db2.gz RJPSQIYXLLHMOE-XNTDXEJSSA-N 1 1 368.445 0.975 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)NCC[N@H+](C)C(C)C)cc(-c2nn[nH]n2)n1C ZINC000737212342 944991129 /nfs/dbraw/zinc/99/11/29/944991129.db2.gz ICWJQWDIRQDVIU-RIYZIHGNSA-N 1 1 356.434 0.877 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCC[N@H+]2C)cc(-c2nn[nH]n2)n1C ZINC000737212633 944994678 /nfs/dbraw/zinc/99/46/78/944994678.db2.gz LQOUDUYJXLZXOU-GUNGLEHYSA-N 1 1 354.418 0.631 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213785 945009691 /nfs/dbraw/zinc/00/96/91/945009691.db2.gz XBLNEKFNJQOXKE-QVYJARAXSA-N 1 1 368.445 0.831 20 50 FCGDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820752302 945549402 /nfs/dbraw/zinc/54/94/02/945549402.db2.gz LQKVRPFBVDTWBL-YGRLFVJLSA-N 1 1 370.417 0.293 20 50 FCGDMO CC(C)[N@@H+]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)[C@@H](C)C1 ZINC000820752951 945551769 /nfs/dbraw/zinc/55/17/69/945551769.db2.gz UTJCZOAAEOBEMS-FZMZJTMJSA-N 1 1 372.433 0.539 20 50 FCGDMO CC[C@@H](C)C[N@@H+](CC)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825060741 947063498 /nfs/dbraw/zinc/06/34/98/947063498.db2.gz RWLZTRCJPDFNRK-GFCCVEGCSA-N 1 1 359.434 0.996 20 50 FCGDMO CCC[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)CC1CC1 ZINC000825307892 607920723 /nfs/dbraw/zinc/92/07/23/607920723.db2.gz QLQZIFHMIRBPKH-UHFFFAOYSA-N 1 1 357.418 0.750 20 50 FCGDMO C[C@H]1CCCCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824936896 607922245 /nfs/dbraw/zinc/92/22/45/607922245.db2.gz MURPCCPJVZOVNI-LBPRGKRZSA-N 1 1 357.418 0.892 20 50 FCGDMO C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824908115 607923307 /nfs/dbraw/zinc/92/33/07/607923307.db2.gz MDJFZGKDWHRUBS-VXGBXAGGSA-N 1 1 357.418 0.748 20 50 FCGDMO CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825181949 607923354 /nfs/dbraw/zinc/92/33/54/607923354.db2.gz GRBNFZLYAQKDGG-BXUZGUMPSA-N 1 1 357.418 0.748 20 50 FCGDMO CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825194901 608264391 /nfs/dbraw/zinc/26/43/91/608264391.db2.gz STCJAQXWHPPMID-BXUZGUMPSA-N 1 1 357.418 0.891 20 50 FCGDMO O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000738137639 945245757 /nfs/dbraw/zinc/24/57/57/945245757.db2.gz WWERMCSZGDIYIA-AWEZNQCLSA-N 1 1 370.417 0.295 20 50 FCGDMO CC(C)[C@@H]1CC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820037248 945335026 /nfs/dbraw/zinc/33/50/26/945335026.db2.gz AGPAREDEBJVDHP-CQSZACIVSA-N 1 1 357.418 0.606 20 50 FCGDMO CCCC[N@@H+](C)CCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736453514 944826878 /nfs/dbraw/zinc/82/68/78/944826878.db2.gz OVMWGQDPTMHKTO-UHFFFAOYSA-N 1 1 360.422 0.543 20 50 FCGDMO CC[N@H+]1CCCC[C@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736572171 944846084 /nfs/dbraw/zinc/84/60/84/944846084.db2.gz VCUWBVCQOICCCO-AWEZNQCLSA-N 1 1 372.433 0.685 20 50 FCGDMO COCC[N@H+]1CCC[C@H]1CNC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000737005503 944931760 /nfs/dbraw/zinc/93/17/60/944931760.db2.gz BJKAVDWBGJHCDZ-AWEZNQCLSA-N 1 1 360.422 0.604 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)NC[C@H]2CC[N@@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213364 945000300 /nfs/dbraw/zinc/00/03/00/945000300.db2.gz RRXNQWAPSPQZJH-KXQKXUNCSA-N 1 1 354.418 0.489 20 50 FCGDMO CC1(C)CCC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820597058 945497474 /nfs/dbraw/zinc/49/74/74/945497474.db2.gz YEZWGUBLBKVTHG-UHFFFAOYSA-N 1 1 357.418 0.750 20 50 FCGDMO CC1(C)CCC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820597058 945497478 /nfs/dbraw/zinc/49/74/78/945497478.db2.gz YEZWGUBLBKVTHG-UHFFFAOYSA-N 1 1 357.418 0.750 20 50 FCGDMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820649963 945509740 /nfs/dbraw/zinc/50/97/40/945509740.db2.gz PNXKTKWNLGRHRW-TXEJJXNPSA-N 1 1 357.418 0.606 20 50 FCGDMO C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@H+]1C ZINC000820658639 945514530 /nfs/dbraw/zinc/51/45/30/945514530.db2.gz UKVOLWQGTVPQSJ-MFKMUULPSA-N 1 1 358.406 0.293 20 50 FCGDMO C[C@@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@H+]1C ZINC000820658640 945515152 /nfs/dbraw/zinc/51/51/52/945515152.db2.gz UKVOLWQGTVPQSJ-ZWNOBZJWSA-N 1 1 358.406 0.293 20 50 FCGDMO C[C@@H]1CCC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)[C@H]1C ZINC000824948827 607923204 /nfs/dbraw/zinc/92/32/04/607923204.db2.gz WBFFDXLIHPDNOM-NEPJUHHUSA-N 1 1 357.418 0.748 20 50 FCGDMO CC(C)c1[nH+]ccn1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824364687 609515795 /nfs/dbraw/zinc/51/57/95/609515795.db2.gz PZGHXODTOIHLJN-UHFFFAOYSA-N 1 1 354.374 0.648 20 50 FCGDMO O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000738136395 945233200 /nfs/dbraw/zinc/23/32/00/945233200.db2.gz LAWGKGHMWSSPHL-ZIAGYGMSSA-N 1 1 370.417 0.438 20 50 FCGDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736572261 944846982 /nfs/dbraw/zinc/84/69/82/944846982.db2.gz WQOHKCGJADFPLX-CQSZACIVSA-N 1 1 372.433 0.685 20 50 FCGDMO C[C@@H]1CC(=NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)C[N@@H+]1C1CC1 ZINC000820643103 945506876 /nfs/dbraw/zinc/50/68/76/945506876.db2.gz QAHVENCLHMSPBU-LLVKDONJSA-N 1 1 355.402 0.974 20 50 FCGDMO C[C@@H]1CC(=NNC(=O)COc2ccc(-c3nn[nH]n3)cc2)C[N@H+]1C1CC1 ZINC000820643103 945506883 /nfs/dbraw/zinc/50/68/83/945506883.db2.gz QAHVENCLHMSPBU-LLVKDONJSA-N 1 1 355.402 0.974 20 50 FCGDMO CC[C@@H]1CCC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820980703 945602858 /nfs/dbraw/zinc/60/28/58/945602858.db2.gz MQLAMCWVLATBPT-GFCCVEGCSA-N 1 1 357.418 0.750 20 50 FCGDMO CC[N@@H+]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821239808 945656140 /nfs/dbraw/zinc/65/61/40/945656140.db2.gz CZOFHMRBRMSGFL-GWCFXTLKSA-N 1 1 358.406 0.151 20 50 FCGDMO C[C@H]1C[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC(C)(C)C1 ZINC000824983804 947021843 /nfs/dbraw/zinc/02/18/43/947021843.db2.gz DAKBAUBOPVTHCZ-GFCCVEGCSA-N 1 1 371.445 0.996 20 50 FCGDMO CO[C@H]1CCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826146693 947466409 /nfs/dbraw/zinc/46/64/09/947466409.db2.gz AEIPAQWEVPTMDI-AWEZNQCLSA-N 1 1 373.417 0.129 20 50 FCGDMO CO[C@H]1CCC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826146693 947466419 /nfs/dbraw/zinc/46/64/19/947466419.db2.gz AEIPAQWEVPTMDI-AWEZNQCLSA-N 1 1 373.417 0.129 20 50 FCGDMO O=C(C[N@H+]1CCC[C@@H]1C1CC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410101 607922962 /nfs/dbraw/zinc/92/29/62/607922962.db2.gz BGFJJFGHKVEMGH-CQSZACIVSA-N 1 1 355.402 0.502 20 50 FCGDMO CC(C)C1CC[NH+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820038455 945334019 /nfs/dbraw/zinc/33/40/19/945334019.db2.gz OHKAFOUQGWJORR-UHFFFAOYSA-N 1 1 371.445 0.996 20 50 FCGDMO CC(=NNC(=O)C[NH+](C)C)c1cnn(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000735447760 944654710 /nfs/dbraw/zinc/65/47/10/944654710.db2.gz MBMGAQVYUGWGDS-UHFFFAOYSA-N 1 1 367.417 0.763 20 50 FCGDMO CC[N@H+]1CCC[C@H]1CNC(=S)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736570422 944845958 /nfs/dbraw/zinc/84/59/58/944845958.db2.gz MWKAPIKQUCSREF-ZDUSSCGKSA-N 1 1 374.474 0.460 20 50 FCGDMO C[NH+](C)CC(=O)NNC(=O)c1ccccc1-c1ccccc1-c1nn[nH]n1 ZINC000736765168 944885352 /nfs/dbraw/zinc/88/53/52/944885352.db2.gz VDNJUVKZRFJCCY-UHFFFAOYSA-N 1 1 365.397 0.856 20 50 FCGDMO C[C@@H]1CC(=NNC(=O)COc2ccccc2-c2nn[nH]n2)C[N@@H+]1C1CC1 ZINC000820641518 945504842 /nfs/dbraw/zinc/50/48/42/945504842.db2.gz CWUKNCBIYWUCPA-LLVKDONJSA-N 1 1 355.402 0.974 20 50 FCGDMO C[C@@H]1CC(=NNC(=O)COc2ccccc2-c2nn[nH]n2)C[N@H+]1C1CC1 ZINC000820641518 945504849 /nfs/dbraw/zinc/50/48/49/945504849.db2.gz CWUKNCBIYWUCPA-LLVKDONJSA-N 1 1 355.402 0.974 20 50 FCGDMO C[C@H]1CC(=NNC(=O)COc2ccccc2-c2nn[nH]n2)C[N@@H+]1C1CC1 ZINC000820641520 945505728 /nfs/dbraw/zinc/50/57/28/945505728.db2.gz CWUKNCBIYWUCPA-NSHDSACASA-N 1 1 355.402 0.974 20 50 FCGDMO C[C@H]1CC(=NNC(=O)COc2ccccc2-c2nn[nH]n2)C[N@H+]1C1CC1 ZINC000820641520 945505735 /nfs/dbraw/zinc/50/57/35/945505735.db2.gz CWUKNCBIYWUCPA-NSHDSACASA-N 1 1 355.402 0.974 20 50 FCGDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820752271 945548247 /nfs/dbraw/zinc/54/82/47/945548247.db2.gz LMSMIIJFRADKJW-BXUZGUMPSA-N 1 1 372.433 0.539 20 50 FCGDMO CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820752950 945551400 /nfs/dbraw/zinc/55/14/00/945551400.db2.gz UTJCZOAAEOBEMS-BXUZGUMPSA-N 1 1 372.433 0.539 20 50 FCGDMO CC[C@H]1CCC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820981792 945603154 /nfs/dbraw/zinc/60/31/54/945603154.db2.gz XBYFPGYDUIRKIT-LBPRGKRZSA-N 1 1 357.418 0.750 20 50 FCGDMO C[C@@H]([NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccn1 ZINC000824562653 946800832 /nfs/dbraw/zinc/80/08/32/946800832.db2.gz ICJIOSJKGOUUPX-LLVKDONJSA-N 1 1 366.385 0.374 20 50 FCGDMO C[C@@H]1CCCCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824936894 607922281 /nfs/dbraw/zinc/92/22/81/607922281.db2.gz MURPCCPJVZOVNI-GFCCVEGCSA-N 1 1 357.418 0.892 20 50 FCGDMO C[C@H]1C[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C(C)(C)C1 ZINC000824985302 607923338 /nfs/dbraw/zinc/92/33/38/607923338.db2.gz UYTIKBOSTVZPHN-LLVKDONJSA-N 1 1 357.418 0.748 20 50 FCGDMO C#CC[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCC1 ZINC000823844676 607923849 /nfs/dbraw/zinc/92/38/49/607923849.db2.gz GFYCNVMKQZCEAY-UHFFFAOYSA-N 1 1 367.413 0.506 20 50 FCGDMO C#CC[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCC1 ZINC000823844676 607923850 /nfs/dbraw/zinc/92/38/50/607923850.db2.gz GFYCNVMKQZCEAY-UHFFFAOYSA-N 1 1 367.413 0.506 20 50 FCGDMO CC[N@@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCCO1 ZINC000825395689 608154674 /nfs/dbraw/zinc/15/46/74/608154674.db2.gz UPWNJVZKTSYGEH-AWEZNQCLSA-N 1 1 373.417 0.129 20 50 FCGDMO CC[N@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCCO1 ZINC000825395689 608154675 /nfs/dbraw/zinc/15/46/75/608154675.db2.gz UPWNJVZKTSYGEH-AWEZNQCLSA-N 1 1 373.417 0.129 20 50 FCGDMO O=C(C[N@H+]1CC[C@H](C2CC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826410669 608173476 /nfs/dbraw/zinc/17/34/76/608173476.db2.gz USRXNJRKVIEDIF-AWEZNQCLSA-N 1 1 355.402 0.360 20 50 FCGDMO C[C@@H]1CC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000824954926 608377406 /nfs/dbraw/zinc/37/74/06/608377406.db2.gz MCTDQXBFYMFDSA-NEPJUHHUSA-N 1 1 357.418 0.606 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc(-c2nn[nH]n2)n1C ZINC000826235352 608637079 /nfs/dbraw/zinc/63/70/79/608637079.db2.gz IFXWLQOVKCSWBI-AZETWLKWSA-N 1 1 368.445 0.972 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)N2C[C@H](C)[N@H+](C)C[C@H]2C)cc(-c2nn[nH]n2)n1C ZINC000826235352 608637080 /nfs/dbraw/zinc/63/70/80/608637080.db2.gz IFXWLQOVKCSWBI-AZETWLKWSA-N 1 1 368.445 0.972 20 50 FCGDMO CC(C)CC(=O)NNC(=O)[C@H](C)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735759006 944699646 /nfs/dbraw/zinc/69/96/46/944699646.db2.gz ODGABTNEUWMUTO-LBPRGKRZSA-N 1 1 359.434 0.881 20 50 FCGDMO CC(C)CC(=O)NNC(=O)[C@H](C)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000735759006 944699655 /nfs/dbraw/zinc/69/96/55/944699655.db2.gz ODGABTNEUWMUTO-LBPRGKRZSA-N 1 1 359.434 0.881 20 50 FCGDMO CC[N@@H+](CCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000736537485 944841150 /nfs/dbraw/zinc/84/11/50/944841150.db2.gz UCOIWOFVPJGNRE-UHFFFAOYSA-N 1 1 360.422 0.541 20 50 FCGDMO CC[N@H+]1CCC[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000736568898 944843581 /nfs/dbraw/zinc/84/35/81/944843581.db2.gz DMBRGAUIFXDKFF-CYBMUJFWSA-N 1 1 358.406 0.295 20 50 FCGDMO CC[N@H+]1CCC[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000736568900 944843653 /nfs/dbraw/zinc/84/36/53/944843653.db2.gz DMBRGAUIFXDKFF-ZDUSSCGKSA-N 1 1 358.406 0.295 20 50 FCGDMO C[NH+](C)CC(=O)NNC(=O)CCCCOc1cccc(-c2nn[nH]n2)c1 ZINC000736762357 944886005 /nfs/dbraw/zinc/88/60/05/944886005.db2.gz HLFBXZPXVQOMLV-UHFFFAOYSA-N 1 1 361.406 0.125 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)N[C@H]2CCC[N@@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213367 945000868 /nfs/dbraw/zinc/00/08/68/945000868.db2.gz RVECKIMYBQTHJM-GUNGLEHYSA-N 1 1 354.418 0.631 20 50 FCGDMO CC1(C)CCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820596950 945496214 /nfs/dbraw/zinc/49/62/14/945496214.db2.gz WNERDYCPPJXXIZ-UHFFFAOYSA-N 1 1 357.418 0.750 20 50 FCGDMO CC1(C)CCC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820596950 945496218 /nfs/dbraw/zinc/49/62/18/945496218.db2.gz WNERDYCPPJXXIZ-UHFFFAOYSA-N 1 1 357.418 0.750 20 50 FCGDMO C[C@H]([NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cccnc1 ZINC000824562312 946801466 /nfs/dbraw/zinc/80/14/66/946801466.db2.gz FIIXOAPNLLWLEC-NSHDSACASA-N 1 1 366.385 0.374 20 50 FCGDMO C[C@@H]([NH2+]CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccn1 ZINC000824563477 946802141 /nfs/dbraw/zinc/80/21/41/946802141.db2.gz PFCHUJBCBAICIY-LLVKDONJSA-N 1 1 366.385 0.374 20 50 FCGDMO CC[N@@H+]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C[C@@H]1C ZINC000825459978 607825856 /nfs/dbraw/zinc/82/58/56/607825856.db2.gz PHSLYDRJTVESFX-IYVNWDGISA-N 1 1 368.445 0.973 20 50 FCGDMO CC[N@H+]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C[C@@H]1C ZINC000825459978 607825857 /nfs/dbraw/zinc/82/58/57/607825857.db2.gz PHSLYDRJTVESFX-IYVNWDGISA-N 1 1 368.445 0.973 20 50 FCGDMO C[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@H]1CCSC1 ZINC000825892566 608033622 /nfs/dbraw/zinc/03/36/22/608033622.db2.gz PALCISAMIMKEFQ-LBPRGKRZSA-N 1 1 361.431 0.065 20 50 FCGDMO C[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@H]1CCSC1 ZINC000825892566 608033623 /nfs/dbraw/zinc/03/36/23/608033623.db2.gz PALCISAMIMKEFQ-LBPRGKRZSA-N 1 1 361.431 0.065 20 50 FCGDMO O=C(C[N@@H+]1CCCSCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826411217 608040791 /nfs/dbraw/zinc/04/07/91/608040791.db2.gz PBFCZOYJBWLIFK-UHFFFAOYSA-N 1 1 361.431 0.067 20 50 FCGDMO O=C(C[N@H+]1CCCSCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826411217 608040792 /nfs/dbraw/zinc/04/07/92/608040792.db2.gz PBFCZOYJBWLIFK-UHFFFAOYSA-N 1 1 361.431 0.067 20 50 FCGDMO CC[C@H]1CC[C@H](C)[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825194902 608263896 /nfs/dbraw/zinc/26/38/96/608263896.db2.gz STCJAQXWHPPMID-FZMZJTMJSA-N 1 1 357.418 0.891 20 50 FCGDMO CC(C)[N@H+](CC(=O)NNC(=O)C1CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735859094 944706672 /nfs/dbraw/zinc/70/66/72/944706672.db2.gz OVISAMGTTFVNPA-UHFFFAOYSA-N 1 1 357.418 0.635 20 50 FCGDMO CC(C)[N@@H+](CC(=O)NNC(=O)C1CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735859094 944706678 /nfs/dbraw/zinc/70/66/78/944706678.db2.gz OVISAMGTTFVNPA-UHFFFAOYSA-N 1 1 357.418 0.635 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737212377 944992562 /nfs/dbraw/zinc/99/25/62/944992562.db2.gz INTNNRUQLGEJNF-XKBFBRDOSA-N 1 1 368.445 0.879 20 50 FCGDMO C[C@@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C ZINC000820657795 945510945 /nfs/dbraw/zinc/51/09/45/945510945.db2.gz MWQOSPQAPPUZJO-ZWNOBZJWSA-N 1 1 358.406 0.293 20 50 FCGDMO C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[N@H+]1C1CC1 ZINC000820656722 945511893 /nfs/dbraw/zinc/51/18/93/945511893.db2.gz GYCBOGYNSZQMEI-GWCFXTLKSA-N 1 1 370.417 0.436 20 50 FCGDMO CC(C)[N@@H+]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000820752273 945548025 /nfs/dbraw/zinc/54/80/25/945548025.db2.gz LMSMIIJFRADKJW-FZMZJTMJSA-N 1 1 372.433 0.539 20 50 FCGDMO CC[N@H+]1C[C@H](C)[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1 ZINC000821240300 945658528 /nfs/dbraw/zinc/65/85/28/945658528.db2.gz GDDMPSPJZGGEQW-ZLEYRIATSA-N 1 1 368.445 0.877 20 50 FCGDMO CC[N@@H+]1C[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)[C@@H](C)C1 ZINC000821240297 945658729 /nfs/dbraw/zinc/65/87/29/945658729.db2.gz GDDMPSPJZGGEQW-MHSFMVNASA-N 1 1 368.445 0.877 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc(-c2nn[nH]n2)n1C ZINC000822027843 945936402 /nfs/dbraw/zinc/93/64/02/945936402.db2.gz JZBFHPSZGLZIKL-IYVNWDGISA-N 1 1 368.445 0.879 20 50 FCGDMO C[C@H]([N@@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(C)(C)C ZINC000824466732 607920323 /nfs/dbraw/zinc/92/03/23/607920323.db2.gz YLJVROIZBUVFMB-NSHDSACASA-N 1 1 359.434 0.994 20 50 FCGDMO C[C@H]1C[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC[C@@H]1C ZINC000824954928 608376815 /nfs/dbraw/zinc/37/68/15/608376815.db2.gz MCTDQXBFYMFDSA-RYUDHWBXSA-N 1 1 357.418 0.606 20 50 FCGDMO C[C@H](C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000736237527 944774309 /nfs/dbraw/zinc/77/43/09/944774309.db2.gz QNEZOLXMJAVZGB-GRYCIOLGSA-N 1 1 357.418 0.889 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)NCC[N@H+](C)C(C)C)cc(-c2nn[nH]n2)n1C ZINC000737212343 944991301 /nfs/dbraw/zinc/99/13/01/944991301.db2.gz ICWJQWDIRQDVIU-ZSOIEALJSA-N 1 1 356.434 0.877 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737212372 944992591 /nfs/dbraw/zinc/99/25/91/944992591.db2.gz INTNNRUQLGEJNF-BKNIFWKGSA-N 1 1 368.445 0.879 20 50 FCGDMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820752953 945550567 /nfs/dbraw/zinc/55/05/67/945550567.db2.gz UTJCZOAAEOBEMS-SMDDNHRTSA-N 1 1 372.433 0.539 20 50 FCGDMO CC[C@@]1(C)CC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820951294 945596021 /nfs/dbraw/zinc/59/60/21/945596021.db2.gz XTVZJXDVXVWXNC-KRWDZBQOSA-N 1 1 357.418 0.750 20 50 FCGDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821255216 945661587 /nfs/dbraw/zinc/66/15/87/945661587.db2.gz WNKRZRIGZMDHRQ-AWEZNQCLSA-N 1 1 372.433 0.637 20 50 FCGDMO C[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)CC1CCCC1 ZINC000821593718 945731481 /nfs/dbraw/zinc/73/14/81/945731481.db2.gz GZUCAXLYHCAVPV-UHFFFAOYSA-N 1 1 357.418 0.750 20 50 FCGDMO C[C@@H]([N@@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1(C)CC1 ZINC000824466490 946718908 /nfs/dbraw/zinc/71/89/08/946718908.db2.gz XNBPDMZGUGXGIH-LLVKDONJSA-N 1 1 357.418 0.748 20 50 FCGDMO CO[C@H]1CCC[N@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826146964 947468620 /nfs/dbraw/zinc/46/86/20/947468620.db2.gz JXJIRFXRWDMJDA-AWEZNQCLSA-N 1 1 373.417 0.129 20 50 FCGDMO CO[C@H]1CCC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826146964 947468628 /nfs/dbraw/zinc/46/86/28/947468628.db2.gz JXJIRFXRWDMJDA-AWEZNQCLSA-N 1 1 373.417 0.129 20 50 FCGDMO O=C(C[N@H+]1CCC[C@@H]1C1CCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410322 607923031 /nfs/dbraw/zinc/92/30/31/607923031.db2.gz JYFQQEPUEXVXIK-OAHLLOKOSA-N 1 1 369.429 0.892 20 50 FCGDMO C=CC1CC[NH+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000819729078 945275566 /nfs/dbraw/zinc/27/55/66/945275566.db2.gz BNTKYEYHPLZABG-UHFFFAOYSA-N 1 1 355.402 0.526 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)N2CC[N@H+]3CCC[C@H]3C2)cc(-c2nn[nH]n2)n1C ZINC000737212607 944994617 /nfs/dbraw/zinc/99/46/17/944994617.db2.gz LGMYWYMMUZPJSO-NHXNDTTKSA-N 1 1 366.429 0.727 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213371 945000213 /nfs/dbraw/zinc/00/02/13/945000213.db2.gz RVECKIMYBQTHJM-SVSAJMPUSA-N 1 1 354.418 0.631 20 50 FCGDMO C[C@H]1CCC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820709126 945531979 /nfs/dbraw/zinc/53/19/79/945531979.db2.gz DLKIJHOUTSVZND-LBPRGKRZSA-N 1 1 357.418 0.750 20 50 FCGDMO O=C(C[N@H+]1CCC2(CCCC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000822996849 946257296 /nfs/dbraw/zinc/25/72/96/946257296.db2.gz KKFZGKMQOHCIMG-UHFFFAOYSA-N 1 1 369.429 0.894 20 50 FCGDMO C[C@@H]([NH2+]CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cccnc1 ZINC000824564487 946805293 /nfs/dbraw/zinc/80/52/93/946805293.db2.gz UQVIROFJNSYIDV-LLVKDONJSA-N 1 1 366.385 0.374 20 50 FCGDMO CC[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@H](C)C(C)C ZINC000825394387 607921622 /nfs/dbraw/zinc/92/16/22/607921622.db2.gz BMCVQYRFNKXQHV-GFCCVEGCSA-N 1 1 359.434 0.994 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc(-c2nn[nH]n2)n1C ZINC000826235802 608203371 /nfs/dbraw/zinc/20/33/71/608203371.db2.gz RLXTURCNFJXICY-WWISCJFESA-N 1 1 368.445 0.972 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc(-c2nn[nH]n2)n1C ZINC000826235802 608203373 /nfs/dbraw/zinc/20/33/73/608203373.db2.gz RLXTURCNFJXICY-WWISCJFESA-N 1 1 368.445 0.972 20 50 FCGDMO CC[N@H+]1C[C@@H](C)N(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC000825444924 608237031 /nfs/dbraw/zinc/23/70/31/608237031.db2.gz SISQSRIRHWVRFG-VXGBXAGGSA-N 1 1 372.433 0.636 20 50 FCGDMO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000738050825 945176615 /nfs/dbraw/zinc/17/66/15/945176615.db2.gz WNZUMPRIXSUKSU-LLVKDONJSA-N 1 1 370.417 0.295 20 50 FCGDMO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000738050903 945178197 /nfs/dbraw/zinc/17/81/97/945178197.db2.gz IPAXEQBZDVTHJA-KGLIPLIRSA-N 1 1 358.406 0.356 20 50 FCGDMO O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000738137642 945246381 /nfs/dbraw/zinc/24/63/81/945246381.db2.gz WWERMCSZGDIYIA-CQSZACIVSA-N 1 1 370.417 0.295 20 50 FCGDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736322993 944802384 /nfs/dbraw/zinc/80/23/84/944802384.db2.gz SPNOUEDLJGZSAV-LLVKDONJSA-N 1 1 360.422 0.541 20 50 FCGDMO 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ODGABTNEUWMUTO-GFCCVEGCSA-N 1 1 359.434 0.881 20 50 FCGDMO CC[C@H](C)[N@@H+](C)CCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736322834 944803028 /nfs/dbraw/zinc/80/30/28/944803028.db2.gz PRUJMZFYKZZPNI-NSHDSACASA-N 1 1 360.422 0.541 20 50 FCGDMO CC[N@H+]1CCCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)CC1 ZINC000736571033 944847319 /nfs/dbraw/zinc/84/73/19/944847319.db2.gz RJPSQIYXLLHMOE-GDNBJRDFSA-N 1 1 368.445 0.975 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737211248 944984949 /nfs/dbraw/zinc/98/49/49/944984949.db2.gz BIHHTQMBXKRTRN-UJMHRVFCSA-N 1 1 368.445 0.973 20 50 FCGDMO C[C@@H]1C[N@@H+](C2CC2)CC1=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000820750894 945545516 /nfs/dbraw/zinc/54/55/16/945545516.db2.gz DDCHWGSKMLZLQK-LLVKDONJSA-N 1 1 355.402 0.832 20 50 FCGDMO C[C@@H]1C[N@H+](C2CC2)CC1=NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000820750894 945545522 /nfs/dbraw/zinc/54/55/22/945545522.db2.gz DDCHWGSKMLZLQK-LLVKDONJSA-N 1 1 355.402 0.832 20 50 FCGDMO CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820752275 945548162 /nfs/dbraw/zinc/54/81/62/945548162.db2.gz LMSMIIJFRADKJW-RISCZKNCSA-N 1 1 372.433 0.539 20 50 FCGDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820752286 945548785 /nfs/dbraw/zinc/54/87/85/945548785.db2.gz LNRYYBSYJIKBLQ-QMTHXVAHSA-N 1 1 370.417 0.293 20 50 FCGDMO CC[C@@H]1CCCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825195796 607920765 /nfs/dbraw/zinc/92/07/65/607920765.db2.gz YVVSGPDOOGWDBM-CQSZACIVSA-N 1 1 357.418 0.892 20 50 FCGDMO CC[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H](C)C(C)C ZINC000825394388 607921427 /nfs/dbraw/zinc/92/14/27/607921427.db2.gz BMCVQYRFNKXQHV-LBPRGKRZSA-N 1 1 359.434 0.994 20 50 FCGDMO C[C@@H](C1CC1)[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000824377417 607921612 /nfs/dbraw/zinc/92/16/12/607921612.db2.gz DDURHQZORDKBOT-NSHDSACASA-N 1 1 369.429 0.891 20 50 FCGDMO CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825181951 607923539 /nfs/dbraw/zinc/92/35/39/607923539.db2.gz GRBNFZLYAQKDGG-FZMZJTMJSA-N 1 1 357.418 0.748 20 50 FCGDMO O=C(C[N@H+]1CCC[C@@H]2CCC[C@H]21)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410674 607923885 /nfs/dbraw/zinc/92/38/85/607923885.db2.gz UUKBGSLDITWXJO-SWLSCSKDSA-N 1 1 369.429 0.892 20 50 FCGDMO CC(C)(C)[C@H]1CC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824080133 608129280 /nfs/dbraw/zinc/12/92/80/608129280.db2.gz VCULEMLZIVKGDK-AWEZNQCLSA-N 1 1 371.445 0.996 20 50 FCGDMO O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000738136248 945232030 /nfs/dbraw/zinc/23/20/30/945232030.db2.gz IGUSXGNWPINWTJ-ZIAGYGMSSA-N 1 1 370.417 0.438 20 50 FCGDMO O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000738136390 945234250 /nfs/dbraw/zinc/23/42/50/945234250.db2.gz LAWGKGHMWSSPHL-UONOGXRCSA-N 1 1 370.417 0.438 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737212375 944993101 /nfs/dbraw/zinc/99/31/01/944993101.db2.gz INTNNRUQLGEJNF-QVYJARAXSA-N 1 1 368.445 0.879 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213373 945000624 /nfs/dbraw/zinc/00/06/24/945000624.db2.gz RVECKIMYBQTHJM-WTWVRAIASA-N 1 1 354.418 0.631 20 50 FCGDMO C[C@H](C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)NN=Cc1ccc(-c2nn[nH]n2)o1 ZINC000820751272 945546952 /nfs/dbraw/zinc/54/69/52/945546952.db2.gz FIXZCJJWMLJTLF-UTUOFQBUSA-N 1 1 361.406 0.655 20 50 FCGDMO CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820752277 945547391 /nfs/dbraw/zinc/54/73/91/945547391.db2.gz LMSMIIJFRADKJW-SMDDNHRTSA-N 1 1 372.433 0.539 20 50 FCGDMO CC[C@H]1CCC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820980705 945604055 /nfs/dbraw/zinc/60/40/55/945604055.db2.gz MQLAMCWVLATBPT-LBPRGKRZSA-N 1 1 357.418 0.750 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc(-c2nn[nH]n2)n1C ZINC000826235801 608203530 /nfs/dbraw/zinc/20/35/30/608203530.db2.gz RLXTURCNFJXICY-RCAWEQQRSA-N 1 1 368.445 0.972 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)N2CC[N@H+](C)[C@H](C)[C@@H]2C)cc(-c2nn[nH]n2)n1C ZINC000826235801 608203532 /nfs/dbraw/zinc/20/35/32/608203532.db2.gz RLXTURCNFJXICY-RCAWEQQRSA-N 1 1 368.445 0.972 20 50 FCGDMO CC[N@H+]1C[C@@H](C)N(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000825444922 608236931 /nfs/dbraw/zinc/23/69/31/608236931.db2.gz SISQSRIRHWVRFG-NWDGAFQWSA-N 1 1 372.433 0.636 20 50 FCGDMO CC[C@H]1CC[C@@H](C)[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825194905 608264171 /nfs/dbraw/zinc/26/41/71/608264171.db2.gz STCJAQXWHPPMID-RISCZKNCSA-N 1 1 357.418 0.891 20 50 FCGDMO CC(C)[N@H+]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000735873893 944709146 /nfs/dbraw/zinc/70/91/46/944709146.db2.gz BHRGOFJTEHUURT-LBPRGKRZSA-N 1 1 372.433 0.541 20 50 FCGDMO C[C@@H](C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000736236517 944771413 /nfs/dbraw/zinc/77/14/13/944771413.db2.gz KNNOUPSYBPAOOF-TUAOUCFPSA-N 1 1 357.418 0.889 20 50 FCGDMO C[C@@H](C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000736237531 944774561 /nfs/dbraw/zinc/77/45/61/944774561.db2.gz QNEZOLXMJAVZGB-TUAOUCFPSA-N 1 1 357.418 0.889 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213787 945007477 /nfs/dbraw/zinc/00/74/77/945007477.db2.gz XBLNEKFNJQOXKE-XKBFBRDOSA-N 1 1 368.445 0.831 20 50 FCGDMO C[C@@H]1CCC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820709125 945532323 /nfs/dbraw/zinc/53/23/23/945532323.db2.gz DLKIJHOUTSVZND-GFCCVEGCSA-N 1 1 357.418 0.750 20 50 FCGDMO CC[C@]1(C)CC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820951295 945596732 /nfs/dbraw/zinc/59/67/32/945596732.db2.gz XTVZJXDVXVWXNC-QGZVFWFLSA-N 1 1 357.418 0.750 20 50 FCGDMO CC[N@H+]1C[C@H](C)[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821239814 945655661 /nfs/dbraw/zinc/65/56/61/945655661.db2.gz CZOFHMRBRMSGFL-GXFFZTMASA-N 1 1 358.406 0.151 20 50 FCGDMO CC[N@H+]1CCC[C@@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821266474 945662085 /nfs/dbraw/zinc/66/20/85/945662085.db2.gz DQBPGOZIZUFAPT-CYBMUJFWSA-N 1 1 358.406 0.295 20 50 FCGDMO CC[C@H]1CCCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825195794 607920749 /nfs/dbraw/zinc/92/07/49/607920749.db2.gz YVVSGPDOOGWDBM-AWEZNQCLSA-N 1 1 357.418 0.892 20 50 FCGDMO C[C@H]1CC[C@H](C)[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824908114 607923180 /nfs/dbraw/zinc/92/31/80/607923180.db2.gz MDJFZGKDWHRUBS-RYUDHWBXSA-N 1 1 357.418 0.748 20 50 FCGDMO O=C(C[N@H+]1CC[C@H](C2CC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410644 608171639 /nfs/dbraw/zinc/17/16/39/608171639.db2.gz TYVNHLSDKJVKRD-AWEZNQCLSA-N 1 1 355.402 0.360 20 50 FCGDMO Cc1[nH+]ccn1CCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737500593 945083614 /nfs/dbraw/zinc/08/36/14/945083614.db2.gz QCYCPHNUQLINFA-UHFFFAOYSA-N 1 1 355.362 0.016 20 50 FCGDMO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000738050905 945179084 /nfs/dbraw/zinc/17/90/84/945179084.db2.gz IPAXEQBZDVTHJA-ZIAGYGMSSA-N 1 1 358.406 0.356 20 50 FCGDMO O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000738136243 945230832 /nfs/dbraw/zinc/23/08/32/945230832.db2.gz IGUSXGNWPINWTJ-KGLIPLIRSA-N 1 1 370.417 0.438 20 50 FCGDMO O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000738136316 945234599 /nfs/dbraw/zinc/23/45/99/945234599.db2.gz JCUAPTLSPSLKEK-LBPRGKRZSA-N 1 1 356.390 0.047 20 50 FCGDMO CC(C)[C@@H]1CC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820037798 945335555 /nfs/dbraw/zinc/33/55/55/945335555.db2.gz IDOTYGXQLYMXER-CQSZACIVSA-N 1 1 357.418 0.606 20 50 FCGDMO C[C@@H](CNC(=O)NNc1cccc(-c2nn[nH]n2)c1)C[NH+]1CCOCC1 ZINC000736017576 944733231 /nfs/dbraw/zinc/73/32/31/944733231.db2.gz QBYSRIYVAHGSSS-LBPRGKRZSA-N 1 1 360.422 0.461 20 50 FCGDMO C[C@H](C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000736236512 944771425 /nfs/dbraw/zinc/77/14/25/944771425.db2.gz KNNOUPSYBPAOOF-GRYCIOLGSA-N 1 1 357.418 0.889 20 50 FCGDMO CC[C@H](C)[N@@H+](C)CCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736322994 944802557 /nfs/dbraw/zinc/80/25/57/944802557.db2.gz SPNOUEDLJGZSAV-NSHDSACASA-N 1 1 360.422 0.541 20 50 FCGDMO CC[N@H+](CC(=O)NNC(=O)C1CC1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736510674 944837768 /nfs/dbraw/zinc/83/77/68/944837768.db2.gz FJZBMZVTJFFSDT-LLVKDONJSA-N 1 1 357.418 0.807 20 50 FCGDMO CC[N@@H+](CC(=O)NNC(=O)C1CC1)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000736510674 944837779 /nfs/dbraw/zinc/83/77/79/944837779.db2.gz FJZBMZVTJFFSDT-LLVKDONJSA-N 1 1 357.418 0.807 20 50 FCGDMO CC[N@@H+](CCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000736537521 944840919 /nfs/dbraw/zinc/84/09/19/944840919.db2.gz VVXFCPVMXULSRD-UHFFFAOYSA-N 1 1 360.422 0.541 20 50 FCGDMO C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[N@H+]1C1CC1 ZINC000820656839 945512243 /nfs/dbraw/zinc/51/22/43/945512243.db2.gz HREFANSGPZWZAP-GWCFXTLKSA-N 1 1 370.417 0.436 20 50 FCGDMO CC[N@H+]1CCC[C@@H]1CN(C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821254956 945657963 /nfs/dbraw/zinc/65/79/63/945657963.db2.gz QRFCDDXHXOHKKO-CQSZACIVSA-N 1 1 372.433 0.637 20 50 FCGDMO C[C@H]([NH2+]CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1ccccn1 ZINC000824563478 946802071 /nfs/dbraw/zinc/80/20/71/946802071.db2.gz PFCHUJBCBAICIY-NSHDSACASA-N 1 1 366.385 0.374 20 50 FCGDMO C[C@H]([NH2+]CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cccnc1 ZINC000824564489 946804560 /nfs/dbraw/zinc/80/45/60/946804560.db2.gz UQVIROFJNSYIDV-NSHDSACASA-N 1 1 366.385 0.374 20 50 FCGDMO CO[C@@H]1CCC[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826146694 947467439 /nfs/dbraw/zinc/46/74/39/947467439.db2.gz AEIPAQWEVPTMDI-CQSZACIVSA-N 1 1 373.417 0.129 20 50 FCGDMO CO[C@@H]1CCC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 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CC[N@H+]1C[C@@H](C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821239837 945658494 /nfs/dbraw/zinc/65/84/94/945658494.db2.gz DGAAWQJHPSQDGM-ZWNOBZJWSA-N 1 1 358.406 0.151 20 50 FCGDMO CC[N@H+]1CCC[C@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821266769 945661031 /nfs/dbraw/zinc/66/10/31/945661031.db2.gz HAXSQZNXHHRGRO-ZDUSSCGKSA-N 1 1 358.406 0.295 20 50 FCGDMO C[C@H]1C[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC(C)(C)C1 ZINC000824985897 947027141 /nfs/dbraw/zinc/02/71/41/947027141.db2.gz ZRGYAPXXHRZNKZ-GFCCVEGCSA-N 1 1 371.445 0.996 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc(-c2nn[nH]n2)n1C ZINC000826235355 608636742 /nfs/dbraw/zinc/63/67/42/608636742.db2.gz IFXWLQOVKCSWBI-SWQXEMSJSA-N 1 1 368.445 0.972 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)N2C[C@H](C)[N@H+](C)C[C@@H]2C)cc(-c2nn[nH]n2)n1C ZINC000826235355 608636746 /nfs/dbraw/zinc/63/67/46/608636746.db2.gz IFXWLQOVKCSWBI-SWQXEMSJSA-N 1 1 368.445 0.972 20 50 FCGDMO CC(C)C[N@H+](CC(=O)NNC(=O)C1CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735827544 944704190 /nfs/dbraw/zinc/70/41/90/944704190.db2.gz PWKHLNIUCKRNJD-UHFFFAOYSA-N 1 1 371.445 0.882 20 50 FCGDMO CC(C)C[N@@H+](CC(=O)NNC(=O)C1CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000735827544 944704194 /nfs/dbraw/zinc/70/41/94/944704194.db2.gz PWKHLNIUCKRNJD-UHFFFAOYSA-N 1 1 371.445 0.882 20 50 FCGDMO CC[C@@H](C)[N@@H+](C)CCNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736322833 944801466 /nfs/dbraw/zinc/80/14/66/944801466.db2.gz PRUJMZFYKZZPNI-LLVKDONJSA-N 1 1 360.422 0.541 20 50 FCGDMO CCC[N@H+]1CC[C@@H](CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000736478671 944831167 /nfs/dbraw/zinc/83/11/67/944831167.db2.gz CJGHTLLMCDKUIZ-LBPRGKRZSA-N 1 1 372.433 0.543 20 50 FCGDMO COCC[N@@H+](C)CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C ZINC000736991131 944928887 /nfs/dbraw/zinc/92/88/87/944928887.db2.gz YOAYGRDFGKHGSL-NTEUORMPSA-N 1 1 372.433 0.115 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)N2CC[N@H+]3CCC[C@@H]3C2)cc(-c2nn[nH]n2)n1C ZINC000737212603 944994491 /nfs/dbraw/zinc/99/44/91/944994491.db2.gz LGMYWYMMUZPJSO-CKNOQMABSA-N 1 1 366.429 0.727 20 50 FCGDMO CCC[N@@H+](CC)CCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821095167 945634139 /nfs/dbraw/zinc/63/41/39/945634139.db2.gz ZTRFMKYWYBCZJU-UHFFFAOYSA-N 1 1 360.422 0.543 20 50 FCGDMO CC[N@H+]1C[C@H](C)[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821239834 945657075 /nfs/dbraw/zinc/65/70/75/945657075.db2.gz DGAAWQJHPSQDGM-GXFFZTMASA-N 1 1 358.406 0.151 20 50 FCGDMO O=C(CCCC[NH+]1CCOCC1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737832198 945133416 /nfs/dbraw/zinc/13/34/16/945133416.db2.gz FVCXDTPHAYCSPT-UHFFFAOYSA-N 1 1 373.417 0.130 20 50 FCGDMO CC(C)[C@H]1CC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000820037247 945334293 /nfs/dbraw/zinc/33/42/93/945334293.db2.gz AGPAREDEBJVDHP-AWEZNQCLSA-N 1 1 357.418 0.606 20 50 FCGDMO CC(C)C1CC[NH+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820038830 945336723 /nfs/dbraw/zinc/33/67/23/945336723.db2.gz SSVDWEYQLVIAOB-UHFFFAOYSA-N 1 1 371.445 0.996 20 50 FCGDMO CC(C)[N@H+]1CC[C@H](CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000735873892 944709424 /nfs/dbraw/zinc/70/94/24/944709424.db2.gz BHRGOFJTEHUURT-GFCCVEGCSA-N 1 1 372.433 0.541 20 50 FCGDMO COCC[N@H+]1CCC[C@@H]1CNC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000737005506 944931592 /nfs/dbraw/zinc/93/15/92/944931592.db2.gz BJKAVDWBGJHCDZ-CQSZACIVSA-N 1 1 360.422 0.604 20 50 FCGDMO C[C@H]1C[C@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@H+]1C ZINC000820658638 945513533 /nfs/dbraw/zinc/51/35/33/945513533.db2.gz UKVOLWQGTVPQSJ-GXFFZTMASA-N 1 1 358.406 0.293 20 50 FCGDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820752284 945548079 /nfs/dbraw/zinc/54/80/79/945548079.db2.gz LNRYYBSYJIKBLQ-IINYFYTJSA-N 1 1 370.417 0.293 20 50 FCGDMO O=C(C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000822992670 946250088 /nfs/dbraw/zinc/25/00/88/946250088.db2.gz LPOPOMDPPFBPDX-GASCZTMLSA-N 1 1 369.429 0.750 20 50 FCGDMO O=C(C[N@@H+]1CCC2(CCC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822993916 946253392 /nfs/dbraw/zinc/25/33/92/946253392.db2.gz ZAGDNKGOJAHAKG-UHFFFAOYSA-N 1 1 355.402 0.504 20 50 FCGDMO O=C(C[N@H+]1CCC2(CCC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822993916 946253404 /nfs/dbraw/zinc/25/34/04/946253404.db2.gz ZAGDNKGOJAHAKG-UHFFFAOYSA-N 1 1 355.402 0.504 20 50 FCGDMO CC[N@@H+]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C[C@H]1C ZINC000825459977 607825950 /nfs/dbraw/zinc/82/59/50/607825950.db2.gz PHSLYDRJTVESFX-AZZDOICSSA-N 1 1 368.445 0.973 20 50 FCGDMO CC[N@H+]1CCN(C(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C[C@H]1C ZINC000825459977 607825951 /nfs/dbraw/zinc/82/59/51/607825951.db2.gz PHSLYDRJTVESFX-AZZDOICSSA-N 1 1 368.445 0.973 20 50 FCGDMO C[C@@H]1C[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C(C)(C)C1 ZINC000824985303 607923080 /nfs/dbraw/zinc/92/30/80/607923080.db2.gz UYTIKBOSTVZPHN-NSHDSACASA-N 1 1 357.418 0.748 20 50 FCGDMO CCCc1[nH+]ccn1CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825351194 607932209 /nfs/dbraw/zinc/93/22/09/607932209.db2.gz AJOWVDZBKHYMCC-UHFFFAOYSA-N 1 1 354.374 0.477 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc(-c2nn[nH]n2)n1C ZINC000826235799 608202884 /nfs/dbraw/zinc/20/28/84/608202884.db2.gz RLXTURCNFJXICY-GTZAAGPCSA-N 1 1 368.445 0.972 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)N2CC[N@H+](C)[C@H](C)[C@H]2C)cc(-c2nn[nH]n2)n1C ZINC000826235799 608202886 /nfs/dbraw/zinc/20/28/86/608202886.db2.gz RLXTURCNFJXICY-GTZAAGPCSA-N 1 1 368.445 0.972 20 50 FCGDMO CC[N@H+]1C[C@H](C)N(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@@H]1C ZINC000825444923 608236612 /nfs/dbraw/zinc/23/66/12/608236612.db2.gz SISQSRIRHWVRFG-RYUDHWBXSA-N 1 1 372.433 0.636 20 50 FCGDMO C[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C[C@@H]1CC=CCC1 ZINC000825892644 609610231 /nfs/dbraw/zinc/61/02/31/609610231.db2.gz RLAXYTSNELREFV-CYBMUJFWSA-N 1 1 369.429 0.916 20 50 FCGDMO Cc1[nH+]ccn1CCCC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737499046 945084457 /nfs/dbraw/zinc/08/44/57/945084457.db2.gz IZBGJKPMAMRZQK-UHFFFAOYSA-N 1 1 354.374 0.613 20 50 FCGDMO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000738050826 945176429 /nfs/dbraw/zinc/17/64/29/945176429.db2.gz WNZUMPRIXSUKSU-NSHDSACASA-N 1 1 370.417 0.295 20 50 FCGDMO CC[N@@H+](CCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CC1 ZINC000736536706 944840636 /nfs/dbraw/zinc/84/06/36/944840636.db2.gz NCOODWLXSYRENR-UHFFFAOYSA-N 1 1 358.406 0.295 20 50 FCGDMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000820649216 945508215 /nfs/dbraw/zinc/50/82/15/945508215.db2.gz JYTIRAUAEPEOGP-TXEJJXNPSA-N 1 1 357.418 0.606 20 50 FCGDMO C[C@H]1C[N@@H+](C2CC2)CC1=NNC(=O)COc1ccccc1-c1nn[nH]n1 ZINC000820752480 945548418 /nfs/dbraw/zinc/54/84/18/945548418.db2.gz NOHUOQJFUBQKQZ-NSHDSACASA-N 1 1 355.402 0.832 20 50 FCGDMO C[C@H]1C[N@H+](C2CC2)CC1=NNC(=O)COc1ccccc1-c1nn[nH]n1 ZINC000820752480 945548421 /nfs/dbraw/zinc/54/84/21/945548421.db2.gz NOHUOQJFUBQKQZ-NSHDSACASA-N 1 1 355.402 0.832 20 50 FCGDMO CC[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCC1 ZINC000825394371 607921462 /nfs/dbraw/zinc/92/14/62/607921462.db2.gz AWBKHHSDRYEXEN-UHFFFAOYSA-N 1 1 357.418 0.892 20 50 FCGDMO O=C(C[N@H+]1CCC[C@@H]2CCC[C@@H]21)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410675 607923873 /nfs/dbraw/zinc/92/38/73/607923873.db2.gz UUKBGSLDITWXJO-WFASDCNBSA-N 1 1 369.429 0.892 20 50 FCGDMO O=C(C[N@H+]1CC[C@@H](C2CC2)C1)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410645 608171738 /nfs/dbraw/zinc/17/17/38/608171738.db2.gz TYVNHLSDKJVKRD-CQSZACIVSA-N 1 1 355.402 0.360 20 50 FCGDMO C[C@@H]1CC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@H]1C ZINC000824954929 608377521 /nfs/dbraw/zinc/37/75/21/608377521.db2.gz MCTDQXBFYMFDSA-VXGBXAGGSA-N 1 1 357.418 0.606 20 50 FCGDMO C[C@@H]1CCC[N@@H+](CCNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000736267490 944781599 /nfs/dbraw/zinc/78/15/99/944781599.db2.gz SLKAPQSWYAMAAD-GFCCVEGCSA-N 1 1 372.433 0.543 20 50 FCGDMO C[N@H+]1CCC[C@H](CNC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736854198 944899934 /nfs/dbraw/zinc/89/99/34/944899934.db2.gz BJDYXAMFDNRKNT-LLVKDONJSA-N 1 1 358.406 0.153 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)N[C@H]2CCC[N@@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213369 945001117 /nfs/dbraw/zinc/00/11/17/945001117.db2.gz RVECKIMYBQTHJM-LVOZBFFPSA-N 1 1 354.418 0.631 20 50 FCGDMO CC[N@H+]1CCC[C@H]1CN(C)C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821254955 945658235 /nfs/dbraw/zinc/65/82/35/945658235.db2.gz QRFCDDXHXOHKKO-AWEZNQCLSA-N 1 1 372.433 0.637 20 50 FCGDMO CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000821239836 945658407 /nfs/dbraw/zinc/65/84/07/945658407.db2.gz DGAAWQJHPSQDGM-MFKMUULPSA-N 1 1 358.406 0.151 20 50 FCGDMO CC(C)[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCC1 ZINC000824289150 607924813 /nfs/dbraw/zinc/92/48/13/607924813.db2.gz VZQNBEHNLJEWDO-UHFFFAOYSA-N 1 1 357.418 0.891 20 50 FCGDMO O=C(C[NH+]1CCC2(CC2)CC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826410816 608042364 /nfs/dbraw/zinc/04/23/64/608042364.db2.gz ZIXRVMNUUMOHBY-UHFFFAOYSA-N 1 1 355.402 0.504 20 50 FCGDMO CC[C@@H](C)C[N@@H+](CC)CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825060187 608159076 /nfs/dbraw/zinc/15/90/76/608159076.db2.gz OFHYGPXZOXWRFR-GFCCVEGCSA-N 1 1 359.434 0.996 20 50 FCGDMO Cc1[nH+]ccn1CCCC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737500667 945084107 /nfs/dbraw/zinc/08/41/07/945084107.db2.gz QVOHDCNCQXYXMJ-UHFFFAOYSA-N 1 1 354.374 0.613 20 50 FCGDMO O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000738136245 945230577 /nfs/dbraw/zinc/23/05/77/945230577.db2.gz IGUSXGNWPINWTJ-UONOGXRCSA-N 1 1 370.417 0.438 20 50 FCGDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000736572172 944846303 /nfs/dbraw/zinc/84/63/03/944846303.db2.gz VCUWBVCQOICCCO-CQSZACIVSA-N 1 1 372.433 0.685 20 50 FCGDMO C[C@H]([N@@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1(C)CC1 ZINC000824466493 946720732 /nfs/dbraw/zinc/72/07/32/946720732.db2.gz XNBPDMZGUGXGIH-NSHDSACASA-N 1 1 357.418 0.748 20 50 FCGDMO C[C@@H]1C[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC(C)(C)C1 ZINC000824985898 947026458 /nfs/dbraw/zinc/02/64/58/947026458.db2.gz ZRGYAPXXHRZNKZ-LBPRGKRZSA-N 1 1 371.445 0.996 20 50 FCGDMO CC[C@H](C)C[N@@H+](CC)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825060742 947062538 /nfs/dbraw/zinc/06/25/38/947062538.db2.gz RWLZTRCJPDFNRK-LBPRGKRZSA-N 1 1 359.434 0.996 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)NCC2=CC[N@@H+](C)CC2)cc(-c2nn[nH]n2)n1C ZINC000826235844 947691580 /nfs/dbraw/zinc/69/15/80/947691580.db2.gz SIFAHTYNGVIVHR-OVCLIPMQSA-N 1 1 366.429 0.799 20 50 FCGDMO C[C@H]1CCC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)[C@H]1C ZINC000824948834 607923243 /nfs/dbraw/zinc/92/32/43/607923243.db2.gz WBFFDXLIHPDNOM-RYUDHWBXSA-N 1 1 357.418 0.748 20 50 FCGDMO O=C(C[N@H+]1CCC[C@H]2CCC[C@H]21)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826410673 607923923 /nfs/dbraw/zinc/92/39/23/607923923.db2.gz UUKBGSLDITWXJO-IUODEOHRSA-N 1 1 369.429 0.892 20 50 FCGDMO CC(C)(C)[C@H]1CC[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824077699 608129197 /nfs/dbraw/zinc/12/91/97/608129197.db2.gz DPQHCRWDRNHQFI-AWEZNQCLSA-N 1 1 371.445 0.996 20 50 FCGDMO Cc1[nH+]ccn1CCNC(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)n(C)c1C ZINC000737501937 945083950 /nfs/dbraw/zinc/08/39/50/945083950.db2.gz WQPSBPCRAGGRRV-ZSOIEALJSA-N 1 1 365.401 0.742 20 50 FCGDMO O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000738136315 945233863 /nfs/dbraw/zinc/23/38/63/945233863.db2.gz JCUAPTLSPSLKEK-GFCCVEGCSA-N 1 1 356.390 0.047 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc(-c2nn[nH]n2)n1C ZINC000737212865 944996557 /nfs/dbraw/zinc/99/65/57/944996557.db2.gz NDVWISQNKQRBGQ-WTWVRAIASA-N 1 1 366.429 0.774 20 50 FCGDMO C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[N@H+]1C1CC1 ZINC000820656732 945511573 /nfs/dbraw/zinc/51/15/73/945511573.db2.gz GYCBOGYNSZQMEI-ZWNOBZJWSA-N 1 1 370.417 0.436 20 50 FCGDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820752297 945548374 /nfs/dbraw/zinc/54/83/74/945548374.db2.gz LQKVRPFBVDTWBL-HZMBPMFUSA-N 1 1 370.417 0.293 20 50 FCGDMO C[C@@H]([N@@H+](C)CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C(C)(C)C ZINC000824466730 607920563 /nfs/dbraw/zinc/92/05/63/607920563.db2.gz YLJVROIZBUVFMB-LLVKDONJSA-N 1 1 359.434 0.994 20 50 FCGDMO CC(C)[C@@H]1CCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824216383 607921141 /nfs/dbraw/zinc/92/11/41/607921141.db2.gz QRWXPSGVUGEHBM-AWEZNQCLSA-N 1 1 357.418 0.748 20 50 FCGDMO CC[C@H]1C[C@@H](C)C[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825181953 607923408 /nfs/dbraw/zinc/92/34/08/607923408.db2.gz GRBNFZLYAQKDGG-RISCZKNCSA-N 1 1 357.418 0.748 20 50 FCGDMO C[N@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCSC1 ZINC000825892190 608120595 /nfs/dbraw/zinc/12/05/95/608120595.db2.gz HOVNXJNORKHCPJ-GFCCVEGCSA-N 1 1 361.431 0.065 20 50 FCGDMO C[N@@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCSC1 ZINC000825892190 608120596 /nfs/dbraw/zinc/12/05/96/608120596.db2.gz HOVNXJNORKHCPJ-GFCCVEGCSA-N 1 1 361.431 0.065 20 50 FCGDMO C[N@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CC=CCC1 ZINC000825892313 609610280 /nfs/dbraw/zinc/61/02/80/609610280.db2.gz JTEUKNZSTUZKPW-CYBMUJFWSA-N 1 1 369.429 0.916 20 50 FCGDMO O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000738136057 945229293 /nfs/dbraw/zinc/22/92/93/945229293.db2.gz DUPABEWPFWEAMI-CQSZACIVSA-N 1 1 370.417 0.295 20 50 FCGDMO O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000738137202 945241284 /nfs/dbraw/zinc/24/12/84/945241284.db2.gz RYHLQVFSTPKNPD-LBPRGKRZSA-N 1 1 356.390 0.047 20 50 FCGDMO C[C@H](CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)C1CC1 ZINC000736017923 944734374 /nfs/dbraw/zinc/73/43/74/944734374.db2.gz RUDRMVVZHXXYCI-SNVBAGLBSA-N 1 1 358.406 0.293 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213366 945002007 /nfs/dbraw/zinc/00/20/07/945002007.db2.gz RRXNQWAPSPQZJH-VWBIBIBXSA-N 1 1 354.418 0.489 20 50 FCGDMO C[C@H]1C[C@@H](NC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC[N@H+]1C ZINC000820658637 945515175 /nfs/dbraw/zinc/51/51/75/945515175.db2.gz UKVOLWQGTVPQSJ-GWCFXTLKSA-N 1 1 358.406 0.293 20 50 FCGDMO CC[N@@H+]1C[C@H](NC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)[C@@H](C)C1 ZINC000821240292 945658859 /nfs/dbraw/zinc/65/88/59/945658859.db2.gz GDDMPSPJZGGEQW-BDITXVESSA-N 1 1 368.445 0.877 20 50 FCGDMO C[N@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)CC1CCCC1 ZINC000821594001 945733096 /nfs/dbraw/zinc/73/30/96/945733096.db2.gz TWGBFJMJCSYCGC-UHFFFAOYSA-N 1 1 357.418 0.750 20 50 FCGDMO C[N@@H+]1CCO[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821628227 945756254 /nfs/dbraw/zinc/75/62/54/945756254.db2.gz CTKSGSJOILAYHH-LLVKDONJSA-N 1 1 371.323 0.659 20 50 FCGDMO C[N@H+]1CCO[C@@H](C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821628227 945756265 /nfs/dbraw/zinc/75/62/65/945756265.db2.gz CTKSGSJOILAYHH-LLVKDONJSA-N 1 1 371.323 0.659 20 50 FCGDMO C[N@@H+]1CCO[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821628228 945756375 /nfs/dbraw/zinc/75/63/75/945756375.db2.gz CTKSGSJOILAYHH-NSHDSACASA-N 1 1 371.323 0.659 20 50 FCGDMO C[N@H+]1CCO[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)C1 ZINC000821628228 945756387 /nfs/dbraw/zinc/75/63/87/945756387.db2.gz CTKSGSJOILAYHH-NSHDSACASA-N 1 1 371.323 0.659 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)NCC[N@@H+]2CC[C@H](C)C2)cc(-c2nn[nH]n2)n1C ZINC000822027839 945935837 /nfs/dbraw/zinc/93/58/37/945935837.db2.gz JZBFHPSZGLZIKL-AAWHYMEISA-N 1 1 368.445 0.879 20 50 FCGDMO C[C@H]([NH2+]CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1ccccn1 ZINC000824562655 946800905 /nfs/dbraw/zinc/80/09/05/946800905.db2.gz ICJIOSJKGOUUPX-NSHDSACASA-N 1 1 366.385 0.374 20 50 FCGDMO O=C(C[N@H+]1CC[C@@H](C2CC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826410670 608173701 /nfs/dbraw/zinc/17/37/01/608173701.db2.gz USRXNJRKVIEDIF-CQSZACIVSA-N 1 1 355.402 0.360 20 50 FCGDMO CC(C)c1[nH+]ccn1CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824364326 609516025 /nfs/dbraw/zinc/51/60/25/609516025.db2.gz BCNBAPLHBZYKDD-UHFFFAOYSA-N 1 1 354.374 0.648 20 50 FCGDMO C[N@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)C[C@H]1CC=CCC1 ZINC000825892314 609610364 /nfs/dbraw/zinc/61/03/64/609610364.db2.gz JTEUKNZSTUZKPW-ZDUSSCGKSA-N 1 1 369.429 0.916 20 50 FCGDMO C[C@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C ZINC000820657790 945511494 /nfs/dbraw/zinc/51/14/94/945511494.db2.gz MWQOSPQAPPUZJO-GWCFXTLKSA-N 1 1 358.406 0.293 20 50 FCGDMO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NNC(=O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000820683739 945523674 /nfs/dbraw/zinc/52/36/74/945523674.db2.gz GPGVITDUBZGQGG-TXEJJXNPSA-N 1 1 373.417 0.266 20 50 FCGDMO CCC1CC[NH+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820988496 945607167 /nfs/dbraw/zinc/60/71/67/945607167.db2.gz FPPXVVSZGJIKHS-UHFFFAOYSA-N 1 1 357.418 0.750 20 50 FCGDMO CC[N@H+]1CCC[C@@H]1CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821266767 945660883 /nfs/dbraw/zinc/66/08/83/945660883.db2.gz HAXSQZNXHHRGRO-CYBMUJFWSA-N 1 1 358.406 0.295 20 50 FCGDMO CCC[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)CC(C)C ZINC000825307744 607921632 /nfs/dbraw/zinc/92/16/32/607921632.db2.gz OJNDTSZPIWYRPJ-UHFFFAOYSA-N 1 1 359.434 0.996 20 50 FCGDMO C[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824908113 607923292 /nfs/dbraw/zinc/92/32/92/607923292.db2.gz MDJFZGKDWHRUBS-NWDGAFQWSA-N 1 1 357.418 0.748 20 50 FCGDMO O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000738136382 945232875 /nfs/dbraw/zinc/23/28/75/945232875.db2.gz LAWGKGHMWSSPHL-KBPBESRZSA-N 1 1 370.417 0.438 20 50 FCGDMO CCC[N@H+](CC(=O)NNC(=O)C1CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736468357 944829191 /nfs/dbraw/zinc/82/91/91/944829191.db2.gz AFVZBYSNXBRYMM-UHFFFAOYSA-N 1 1 357.418 0.636 20 50 FCGDMO CCC[N@@H+](CC(=O)NNC(=O)C1CC1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736468357 944829194 /nfs/dbraw/zinc/82/91/94/944829194.db2.gz AFVZBYSNXBRYMM-UHFFFAOYSA-N 1 1 357.418 0.636 20 50 FCGDMO CCC[N@H+]1CC[C@H](CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000736478669 944830086 /nfs/dbraw/zinc/83/00/86/944830086.db2.gz CJGHTLLMCDKUIZ-GFCCVEGCSA-N 1 1 372.433 0.543 20 50 FCGDMO CC[N@H+]1CC[C@@H](CNC(=O)C(C#N)=Cc2cc(-c3nn[nH]n3)n(C)c2C)C1 ZINC000736565526 944844055 /nfs/dbraw/zinc/84/40/55/944844055.db2.gz LFWQFFQXUDZPQO-FEZXJWFHSA-N 1 1 368.445 0.879 20 50 FCGDMO CC[N@H+]1CCC[C@@H]1CNC(=S)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736570421 944846591 /nfs/dbraw/zinc/84/65/91/944846591.db2.gz MWKAPIKQUCSREF-CYBMUJFWSA-N 1 1 374.474 0.460 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)N[C@H]2CC[N@H+](C3CC3)C2)cc(-c2nn[nH]n2)n1C ZINC000737212859 944996310 /nfs/dbraw/zinc/99/63/10/944996310.db2.gz NDVWISQNKQRBGQ-GUNGLEHYSA-N 1 1 366.429 0.774 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)NC[C@H]2CC[N@@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213360 945000798 /nfs/dbraw/zinc/00/07/98/945000798.db2.gz RRXNQWAPSPQZJH-CHJAJTDHSA-N 1 1 354.418 0.489 20 50 FCGDMO C[C@@H](CNC(=O)NNc1cccc(-c2nn[nH]n2)c1)CN1CC[NH+](C)CC1 ZINC000820269270 945402497 /nfs/dbraw/zinc/40/24/97/945402497.db2.gz INMCXQGWWKXZSB-ZDUSSCGKSA-N 1 1 373.465 0.376 20 50 FCGDMO CC1(C)CC[NH+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820595897 945494616 /nfs/dbraw/zinc/49/46/16/945494616.db2.gz LBEAFGZBYMLTDI-UHFFFAOYSA-N 1 1 357.418 0.750 20 50 FCGDMO CC1(C)CC[NH+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820597168 945496772 /nfs/dbraw/zinc/49/67/72/945496772.db2.gz ZKTDPBAVXSVLTF-UHFFFAOYSA-N 1 1 357.418 0.750 20 50 FCGDMO CC[N@H+]1CCC[C@H]1CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821266475 945661914 /nfs/dbraw/zinc/66/19/14/945661914.db2.gz DQBPGOZIZUFAPT-ZDUSSCGKSA-N 1 1 358.406 0.295 20 50 FCGDMO CC(C)[C@H]1CCC[N@H+]1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824216384 607921033 /nfs/dbraw/zinc/92/10/33/607921033.db2.gz QRWXPSGVUGEHBM-CQSZACIVSA-N 1 1 357.418 0.748 20 50 FCGDMO C[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000824908112 607923330 /nfs/dbraw/zinc/92/33/30/607923330.db2.gz MDJFZGKDWHRUBS-NEPJUHHUSA-N 1 1 357.418 0.748 20 50 FCGDMO CCCc1[nH+]ccn1CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000825353352 607932475 /nfs/dbraw/zinc/93/24/75/607932475.db2.gz WTANOMMIYUZYJF-UHFFFAOYSA-N 1 1 354.374 0.477 20 50 FCGDMO C[N@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCSC1 ZINC000825892192 608120661 /nfs/dbraw/zinc/12/06/61/608120661.db2.gz HOVNXJNORKHCPJ-LBPRGKRZSA-N 1 1 361.431 0.065 20 50 FCGDMO C[N@@H+](CC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCSC1 ZINC000825892192 608120662 /nfs/dbraw/zinc/12/06/62/608120662.db2.gz HOVNXJNORKHCPJ-LBPRGKRZSA-N 1 1 361.431 0.065 20 50 FCGDMO CC[N@H+]1C[C@@H](C)N(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C[C@H]1C ZINC000825445234 608236590 /nfs/dbraw/zinc/23/65/90/608236590.db2.gz YAEXSIKAIUYCEA-VXGBXAGGSA-N 1 1 372.433 0.636 20 50 FCGDMO C[C@H](CNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)[N@@H+](C)C1CC1 ZINC000736017594 944732406 /nfs/dbraw/zinc/73/24/06/944732406.db2.gz QSXMYDGXFPIKIK-SNVBAGLBSA-N 1 1 358.406 0.293 20 50 FCGDMO C[C@@H](CNC(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)C1CC1 ZINC000736017922 944735232 /nfs/dbraw/zinc/73/52/32/944735232.db2.gz RUDRMVVZHXXYCI-JTQLQIEISA-N 1 1 358.406 0.293 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)cc(-c2nn[nH]n2)n1C ZINC000737212863 944996593 /nfs/dbraw/zinc/99/65/93/944996593.db2.gz NDVWISQNKQRBGQ-SVSAJMPUSA-N 1 1 366.429 0.774 20 50 FCGDMO C[C@@H]1C[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C ZINC000820657793 945510404 /nfs/dbraw/zinc/51/04/04/945510404.db2.gz MWQOSPQAPPUZJO-MFKMUULPSA-N 1 1 358.406 0.293 20 50 FCGDMO O=C(C[N@H+]1CCC2(CCCC2)C1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822997088 946257841 /nfs/dbraw/zinc/25/78/41/946257841.db2.gz MWLIGWHNGIYEIL-UHFFFAOYSA-N 1 1 369.429 0.894 20 50 FCGDMO C[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCCC1 ZINC000825892608 607920834 /nfs/dbraw/zinc/92/08/34/607920834.db2.gz PXEIBVSGQJSKBJ-UHFFFAOYSA-N 1 1 357.418 0.892 20 50 FCGDMO O=C(CCCC[NH+]1CCOCC1)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737833490 945135323 /nfs/dbraw/zinc/13/53/23/945135323.db2.gz UDYBUBFRIZPGGV-UHFFFAOYSA-N 1 1 373.417 0.130 20 50 FCGDMO C[N@@H+](CCNC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCC1 ZINC000736801476 944893912 /nfs/dbraw/zinc/89/39/12/944893912.db2.gz WJQDPHADLBQJOQ-UHFFFAOYSA-N 1 1 372.433 0.685 20 50 FCGDMO C[N@H+]1CCC[C@@H](CNC(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)C1 ZINC000736858598 944901362 /nfs/dbraw/zinc/90/13/62/944901362.db2.gz UGBBLLVNZDJHGN-NSHDSACASA-N 1 1 358.406 0.153 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737211233 944984866 /nfs/dbraw/zinc/98/48/66/944984866.db2.gz BIHHTQMBXKRTRN-CKNOQMABSA-N 1 1 368.445 0.973 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737212373 944992374 /nfs/dbraw/zinc/99/23/74/944992374.db2.gz INTNNRUQLGEJNF-FEZXJWFHSA-N 1 1 368.445 0.879 20 50 FCGDMO Cc1c(C=C(C#N)C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)cc(-c2nn[nH]n2)n1C ZINC000737213780 945009240 /nfs/dbraw/zinc/00/92/40/945009240.db2.gz XBLNEKFNJQOXKE-BKNIFWKGSA-N 1 1 368.445 0.831 20 50 FCGDMO C[C@H]1C[C@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1C ZINC000820657791 945512362 /nfs/dbraw/zinc/51/23/62/945512362.db2.gz MWQOSPQAPPUZJO-GXFFZTMASA-N 1 1 358.406 0.293 20 50 FCGDMO C[C@H]1CCC[N@@H+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820709813 945532248 /nfs/dbraw/zinc/53/22/48/945532248.db2.gz MESZDDYDCMIGQY-LBPRGKRZSA-N 1 1 357.418 0.750 20 50 FCGDMO C[C@@H]1C[N@@H+](C2CC2)CC1=NNC(=O)COc1ccccc1-c1nn[nH]n1 ZINC000820752479 945547659 /nfs/dbraw/zinc/54/76/59/945547659.db2.gz NOHUOQJFUBQKQZ-LLVKDONJSA-N 1 1 355.402 0.832 20 50 FCGDMO C[C@@H]1C[N@H+](C2CC2)CC1=NNC(=O)COc1ccccc1-c1nn[nH]n1 ZINC000820752479 945547673 /nfs/dbraw/zinc/54/76/73/945547673.db2.gz NOHUOQJFUBQKQZ-LLVKDONJSA-N 1 1 355.402 0.832 20 50 FCGDMO CCC1CC[NH+](CC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820988660 945607335 /nfs/dbraw/zinc/60/73/35/945607335.db2.gz GXCJIUAIUDIGBP-UHFFFAOYSA-N 1 1 357.418 0.750 20 50 FCGDMO CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821239816 945655289 /nfs/dbraw/zinc/65/52/89/945655289.db2.gz CZOFHMRBRMSGFL-MFKMUULPSA-N 1 1 358.406 0.151 20 50 FCGDMO CC[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C[C@H]1CCCO1 ZINC000825395682 607922543 /nfs/dbraw/zinc/92/25/43/607922543.db2.gz UMKRKKXCVBCWTQ-CQSZACIVSA-N 1 1 373.417 0.129 20 50 FCGDMO CC[N@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C[C@H]1CCCO1 ZINC000825395682 607922544 /nfs/dbraw/zinc/92/25/44/607922544.db2.gz UMKRKKXCVBCWTQ-CQSZACIVSA-N 1 1 373.417 0.129 20 50 FCGDMO