smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)CCC[C@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000820589287 945494852 /nfs/dbraw/zinc/49/48/52/945494852.db2.gz BPGFPKCLLPFUKD-GFCCVEGCSA-N -1 3 315.381 2.072 20 50 DEGDHM CC1(C)CCC[C@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000820589287 945494858 /nfs/dbraw/zinc/49/48/58/945494858.db2.gz BPGFPKCLLPFUKD-GFCCVEGCSA-N -1 3 315.381 2.072 20 50 DEGDHM CCCCCNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821056802 945625068 /nfs/dbraw/zinc/62/50/68/945625068.db2.gz XQHZAMLNYUYYTQ-NTMALXAHSA-N -1 3 316.390 2.142 20 50 DEGDHM CCc1oc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1C ZINC000825776303 607341885 /nfs/dbraw/zinc/34/18/85/607341885.db2.gz FMIHAUOELLWRPQ-UHFFFAOYSA-N -1 3 312.333 2.087 20 50 DEGDHM Cc1ccc(F)cc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826290095 607714066 /nfs/dbraw/zinc/71/40/66/607714066.db2.gz ZWNFEFMMNAUAGO-UHFFFAOYSA-N -1 3 312.308 2.071 20 50 DEGDHM Cc1ccc(F)cc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826290095 607714067 /nfs/dbraw/zinc/71/40/67/607714067.db2.gz ZWNFEFMMNAUAGO-UHFFFAOYSA-N -1 3 312.308 2.071 20 50 DEGDHM CCc1oc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825776294 607715308 /nfs/dbraw/zinc/71/53/08/607715308.db2.gz FGWMSEIYGYKJIT-UHFFFAOYSA-N -1 3 312.333 2.087 20 50 DEGDHM CCc1oc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825776294 607715309 /nfs/dbraw/zinc/71/53/09/607715309.db2.gz FGWMSEIYGYKJIT-UHFFFAOYSA-N -1 3 312.333 2.087 20 50 DEGDHM O=C(CCCc1ccccc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826406512 607731814 /nfs/dbraw/zinc/73/18/14/607731814.db2.gz ADFXSRFYSUHQSS-UHFFFAOYSA-N -1 3 322.372 2.333 20 50 DEGDHM O=C(CCCc1ccccc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826406512 607731816 /nfs/dbraw/zinc/73/18/16/607731816.db2.gz ADFXSRFYSUHQSS-UHFFFAOYSA-N -1 3 322.372 2.333 20 50 DEGDHM CC[C@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000825083237 607732940 /nfs/dbraw/zinc/73/29/40/607732940.db2.gz YVGABZSDCHCBEK-LLVKDONJSA-N -1 3 302.382 2.382 20 50 DEGDHM CC[C@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000825083237 607732942 /nfs/dbraw/zinc/73/29/42/607732942.db2.gz YVGABZSDCHCBEK-LLVKDONJSA-N -1 3 302.382 2.382 20 50 DEGDHM O=C(CCCC(F)(F)F)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826405480 608165096 /nfs/dbraw/zinc/16/50/96/608165096.db2.gz HJGBAIKARRIXMS-UHFFFAOYSA-N -1 3 314.271 2.042 20 50 DEGDHM O=C(CCCC(F)(F)F)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826405480 608165097 /nfs/dbraw/zinc/16/50/97/608165097.db2.gz HJGBAIKARRIXMS-UHFFFAOYSA-N -1 3 314.271 2.042 20 50 DEGDHM CCCC(=O)NNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821009677 945612168 /nfs/dbraw/zinc/61/21/68/945612168.db2.gz YHSLWLMSROOVAN-UHFFFAOYSA-N -1 3 314.271 2.129 20 50 DEGDHM CCCC(=O)NNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821009677 945612176 /nfs/dbraw/zinc/61/21/76/945612176.db2.gz YHSLWLMSROOVAN-UHFFFAOYSA-N -1 3 314.271 2.129 20 50 DEGDHM CCc1ccc(C(C)=NNC(=O)c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821477072 945704542 /nfs/dbraw/zinc/70/45/42/945704542.db2.gz XIMXHMMKTQOXOY-UHFFFAOYSA-N -1 3 324.344 2.176 20 50 DEGDHM CCc1ccc(C(C)=NNC(=O)c2cccc(-c3nn[n-]n3)c2)o1 ZINC000821477072 945704555 /nfs/dbraw/zinc/70/45/55/945704555.db2.gz XIMXHMMKTQOXOY-UHFFFAOYSA-N -1 3 324.344 2.176 20 50 DEGDHM Cc1ccc(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC000822248681 946033076 /nfs/dbraw/zinc/03/30/76/946033076.db2.gz IKYHYTTVUJBTFA-UHFFFAOYSA-N -1 3 315.362 2.385 20 50 DEGDHM Cc1ccc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC000822248681 946033088 /nfs/dbraw/zinc/03/30/88/946033088.db2.gz IKYHYTTVUJBTFA-UHFFFAOYSA-N -1 3 315.362 2.385 20 50 DEGDHM CC[C@H](C(=O)NNc1cccc(C(=O)[O-])c1C)N(CC)CC ZINC001594737546 987281381 /nfs/dbraw/zinc/28/13/81/987281381.db2.gz YEUYRSUQZSKBLK-CQSZACIVSA-N -1 3 307.394 2.257 20 50 DEGDHM O=C(C=CC1CCCCC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826399876 607334498 /nfs/dbraw/zinc/33/44/98/607334498.db2.gz IUDUGAIDNSFKME-MDZDMXLPSA-N -1 3 312.377 2.446 20 50 DEGDHM O=C(C=CC1CCCCC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826399876 607334500 /nfs/dbraw/zinc/33/45/00/607334500.db2.gz IUDUGAIDNSFKME-MDZDMXLPSA-N -1 3 312.377 2.446 20 50 DEGDHM O=C(NNc1cccc(Cl)c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823280534 606554632 /nfs/dbraw/zinc/55/46/32/606554632.db2.gz ADOKMQDLOHCEOM-UHFFFAOYSA-N -1 3 320.765 2.339 20 50 DEGDHM O=C(NNc1cccc(Cl)c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823280534 606554633 /nfs/dbraw/zinc/55/46/33/606554633.db2.gz ADOKMQDLOHCEOM-UHFFFAOYSA-N -1 3 320.765 2.339 20 50 DEGDHM CCC(CC)[C@H](C)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825096615 608074521 /nfs/dbraw/zinc/07/45/21/608074521.db2.gz ONJIZVFUPMFZAR-JTQLQIEISA-N -1 3 302.382 2.382 20 50 DEGDHM CC(C)(C)C(=O)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000819899103 945309287 /nfs/dbraw/zinc/30/92/87/945309287.db2.gz NJGKJKGSRFCDOF-UHFFFAOYSA-N -1 3 312.377 2.069 20 50 DEGDHM CC(C)(C)C(=O)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000819899103 945309297 /nfs/dbraw/zinc/30/92/97/945309297.db2.gz NJGKJKGSRFCDOF-UHFFFAOYSA-N -1 3 312.377 2.069 20 50 DEGDHM C[C@H](C(=O)NNc1cccc(F)c1C(=O)[O-])N1[C@H](C)CC[C@@H]1C ZINC001594303302 999173992 /nfs/dbraw/zinc/17/39/92/999173992.db2.gz SXGVNDCXYIZPQA-OUAUKWLOSA-N -1 3 323.368 2.228 20 50 DEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C(F)=C1CCCC1 ZINC000826447504 607338167 /nfs/dbraw/zinc/33/81/67/607338167.db2.gz IVUVKFBORCBZLT-UHFFFAOYSA-N -1 3 302.313 2.107 20 50 DEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C(F)=C1CCCC1 ZINC000826447504 607338169 /nfs/dbraw/zinc/33/81/69/607338169.db2.gz IVUVKFBORCBZLT-UHFFFAOYSA-N -1 3 302.313 2.107 20 50 DEGDHM CC(C)CCSCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824249802 607344862 /nfs/dbraw/zinc/34/48/62/607344862.db2.gz UWRXHTUZPKNOKI-UHFFFAOYSA-N -1 3 320.422 2.089 20 50 DEGDHM Cc1ccc(C)c(NNC(=O)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826284859 607381787 /nfs/dbraw/zinc/38/17/87/607381787.db2.gz IKHHNXBPZLYZGR-UHFFFAOYSA-N -1 3 322.372 2.169 20 50 DEGDHM Cc1ccc(C)c(NNC(=O)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826284859 607381789 /nfs/dbraw/zinc/38/17/89/607381789.db2.gz IKHHNXBPZLYZGR-UHFFFAOYSA-N -1 3 322.372 2.169 20 50 DEGDHM Cc1cc(F)ccc1NNC(=O)c1sccc1-c1nnn[n-]1 ZINC000826268589 607392898 /nfs/dbraw/zinc/39/28/98/607392898.db2.gz DIZCSZWGTAWVHH-UHFFFAOYSA-N -1 3 318.337 2.133 20 50 DEGDHM Cc1cc(F)ccc1NNC(=O)c1sccc1-c1nn[n-]n1 ZINC000826268589 607392901 /nfs/dbraw/zinc/39/29/01/607392901.db2.gz DIZCSZWGTAWVHH-UHFFFAOYSA-N -1 3 318.337 2.133 20 50 DEGDHM Cc1cccc(NNC(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000826299598 607457369 /nfs/dbraw/zinc/45/73/69/607457369.db2.gz MCVBNDJYINDFLV-UHFFFAOYSA-N -1 3 308.345 2.240 20 50 DEGDHM Cc1cccc(NNC(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000826299598 607457370 /nfs/dbraw/zinc/45/73/70/607457370.db2.gz MCVBNDJYINDFLV-UHFFFAOYSA-N -1 3 308.345 2.240 20 50 DEGDHM C[C@H]1CC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H](C)C1 ZINC000824859888 607654248 /nfs/dbraw/zinc/65/42/48/607654248.db2.gz RSLAMKPVOYFZHP-PHIMTYICSA-N -1 3 312.377 2.409 20 50 DEGDHM C[C@H]1CC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H](C)C1 ZINC000824859888 607654250 /nfs/dbraw/zinc/65/42/50/607654250.db2.gz RSLAMKPVOYFZHP-PHIMTYICSA-N -1 3 312.377 2.409 20 50 DEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccc2[nH]ccc21 ZINC000826449061 607732260 /nfs/dbraw/zinc/73/22/60/607732260.db2.gz ZQWJPODCLLLZLA-UHFFFAOYSA-N -1 3 319.328 2.105 20 50 DEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccc2[nH]ccc21 ZINC000826449061 607732262 /nfs/dbraw/zinc/73/22/62/607732262.db2.gz ZQWJPODCLLLZLA-UHFFFAOYSA-N -1 3 319.328 2.105 20 50 DEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)C1CCC(F)(F)CC1 ZINC000826446363 607995720 /nfs/dbraw/zinc/99/57/20/607995720.db2.gz IUMXDNTWFMBVLO-UHFFFAOYSA-N -1 3 322.319 2.135 20 50 DEGDHM C[C@@H](NC(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000737194963 944981513 /nfs/dbraw/zinc/98/15/13/944981513.db2.gz XZJJQRZJUWFDCU-LLVKDONJSA-N -1 3 323.360 2.254 20 50 DEGDHM C[C@@H](NC(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000737194963 944981517 /nfs/dbraw/zinc/98/15/17/944981517.db2.gz XZJJQRZJUWFDCU-LLVKDONJSA-N -1 3 323.360 2.254 20 50 DEGDHM C[C@H](NC(=O)NNc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820373427 945433817 /nfs/dbraw/zinc/43/38/17/945433817.db2.gz HEWWIHNELJAYEK-NSHDSACASA-N -1 3 323.360 2.254 20 50 DEGDHM C[C@H](NC(=O)NNc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820373427 945433823 /nfs/dbraw/zinc/43/38/23/945433823.db2.gz HEWWIHNELJAYEK-NSHDSACASA-N -1 3 323.360 2.254 20 50 DEGDHM CCCCOC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821071948 945630627 /nfs/dbraw/zinc/63/06/27/945630627.db2.gz OKTLLJQAUGEDNG-VQHVLOKHSA-N -1 3 303.347 2.178 20 50 DEGDHM CCOc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825632078 607335876 /nfs/dbraw/zinc/33/58/76/607335876.db2.gz KNMYKTBPOTVQRA-UHFFFAOYSA-N -1 3 324.344 2.022 20 50 DEGDHM CCOc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825632078 607335878 /nfs/dbraw/zinc/33/58/78/607335878.db2.gz KNMYKTBPOTVQRA-UHFFFAOYSA-N -1 3 324.344 2.022 20 50 DEGDHM CCc1cc(C)c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000825700928 607344352 /nfs/dbraw/zinc/34/43/52/607344352.db2.gz ZTZIVXPOSKJVFL-UHFFFAOYSA-N -1 3 312.333 2.087 20 50 DEGDHM CC(=CC(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823942738 607348779 /nfs/dbraw/zinc/34/87/79/607348779.db2.gz IFMYYAWYAUUYNK-VAWYXSNFSA-N -1 3 320.356 2.413 20 50 DEGDHM C[C@H]1CCC[C@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824929689 607723932 /nfs/dbraw/zinc/72/39/32/607723932.db2.gz XXIAUDMYFNYKLZ-JQWIXIFHSA-N -1 3 300.366 2.136 20 50 DEGDHM C[C@H]1CCC[C@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824929689 607723934 /nfs/dbraw/zinc/72/39/34/607723934.db2.gz XXIAUDMYFNYKLZ-JQWIXIFHSA-N -1 3 300.366 2.136 20 50 DEGDHM O=C(C=Cc1ccccc1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826401378 607732075 /nfs/dbraw/zinc/73/20/75/607732075.db2.gz WVXKMNYWCKABOX-KTKRTIGZSA-N -1 3 306.329 2.023 20 50 DEGDHM O=C(C=Cc1ccccc1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826401378 607732077 /nfs/dbraw/zinc/73/20/77/607732077.db2.gz WVXKMNYWCKABOX-KTKRTIGZSA-N -1 3 306.329 2.023 20 50 DEGDHM CC(C)[C@H](C(=O)NNc1ccccc1C(=O)[O-])N1CCCCC1 ZINC000833466413 605282194 /nfs/dbraw/zinc/28/21/94/605282194.db2.gz YUNUEVFBBMYCGP-OAHLLOKOSA-N -1 3 319.405 2.338 20 50 DEGDHM C[C@@H](C(=O)NNc1ccccc1C(=O)[O-])N1[C@H](C)CC[C@@H]1C ZINC000833602340 605722017 /nfs/dbraw/zinc/72/20/17/605722017.db2.gz HMFFUXKCWUMSJT-TUAOUCFPSA-N -1 3 305.378 2.089 20 50 DEGDHM CCCCCNC(=O)C(C#N)=Cc1ccccc1-c1nnn[n-]1 ZINC000825276120 607884213 /nfs/dbraw/zinc/88/42/13/607884213.db2.gz QLNZLEUNIDHTFX-RAXLEYEMSA-N -1 3 310.361 2.080 20 50 DEGDHM CCCCCNC(=O)C(C#N)=Cc1ccccc1-c1nn[n-]n1 ZINC000825276120 607884214 /nfs/dbraw/zinc/88/42/14/607884214.db2.gz QLNZLEUNIDHTFX-RAXLEYEMSA-N -1 3 310.361 2.080 20 50 DEGDHM CN(N=Cc1ccccc1-c1nnn[n-]1)C(=O)OC(C)(C)C ZINC000826004057 607886919 /nfs/dbraw/zinc/88/69/19/607886919.db2.gz GVXDNBWWYNSDPM-UHFFFAOYSA-N -1 3 302.338 2.068 20 50 DEGDHM CN(N=Cc1ccccc1-c1nn[n-]n1)C(=O)OC(C)(C)C ZINC000826004057 607886920 /nfs/dbraw/zinc/88/69/20/607886920.db2.gz GVXDNBWWYNSDPM-UHFFFAOYSA-N -1 3 302.338 2.068 20 50 DEGDHM C[C@@H]1CCC[C@@H](C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)C1 ZINC000824925984 608533608 /nfs/dbraw/zinc/53/36/08/608533608.db2.gz HYGXQWCIQRYWRD-VXGBXAGGSA-N -1 3 312.377 2.409 20 50 DEGDHM C[C@@H]1CCC[C@@H](C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824925984 608533609 /nfs/dbraw/zinc/53/36/09/608533609.db2.gz HYGXQWCIQRYWRD-VXGBXAGGSA-N -1 3 312.377 2.409 20 50 DEGDHM CC[C@H](C)C(=O)C(C#N)=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000736318064 944799755 /nfs/dbraw/zinc/79/97/55/944799755.db2.gz BDKSTCPGSILXBS-PQTFEYQYSA-N -1 3 321.344 2.037 20 50 DEGDHM CC[C@H](C)C(=O)C(C#N)=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000736318064 944799761 /nfs/dbraw/zinc/79/97/61/944799761.db2.gz BDKSTCPGSILXBS-PQTFEYQYSA-N -1 3 321.344 2.037 20 50 DEGDHM CN(N=Cc1ccc(-c2nnn[n-]2)cc1F)C(=O)OC(C)(C)C ZINC000821619479 945748304 /nfs/dbraw/zinc/74/83/04/945748304.db2.gz YULDQCHIJIERID-UHFFFAOYSA-N -1 3 320.328 2.207 20 50 DEGDHM CN(N=Cc1ccc(-c2nn[n-]n2)cc1F)C(=O)OC(C)(C)C ZINC000821619479 945748306 /nfs/dbraw/zinc/74/83/06/945748306.db2.gz YULDQCHIJIERID-UHFFFAOYSA-N -1 3 320.328 2.207 20 50 DEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccc2cc[nH]c21 ZINC000826449006 607336589 /nfs/dbraw/zinc/33/65/89/607336589.db2.gz XKTOPYHQAWGWIX-UHFFFAOYSA-N -1 3 319.328 2.105 20 50 DEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccc2cc[nH]c21 ZINC000826449006 607336590 /nfs/dbraw/zinc/33/65/90/607336590.db2.gz XKTOPYHQAWGWIX-UHFFFAOYSA-N -1 3 319.328 2.105 20 50 DEGDHM Cc1cccc([C@@H](C)C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826296396 607337890 /nfs/dbraw/zinc/33/78/90/607337890.db2.gz VALGPMZIJLPZCB-GFCCVEGCSA-N -1 3 322.372 2.422 20 50 DEGDHM Cc1cccc([C@@H](C)C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826296396 607337892 /nfs/dbraw/zinc/33/78/92/607337892.db2.gz VALGPMZIJLPZCB-GFCCVEGCSA-N -1 3 322.372 2.422 20 50 DEGDHM Cc1cc(F)ccc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826268771 607338105 /nfs/dbraw/zinc/33/81/05/607338105.db2.gz MQTVGLUYCKSKPR-UHFFFAOYSA-N -1 3 312.308 2.071 20 50 DEGDHM Cc1cc(F)ccc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826268771 607338107 /nfs/dbraw/zinc/33/81/07/607338107.db2.gz MQTVGLUYCKSKPR-UHFFFAOYSA-N -1 3 312.308 2.071 20 50 DEGDHM O=C(C=C(C1CC1)C1CC1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826398668 607343376 /nfs/dbraw/zinc/34/33/76/607343376.db2.gz BMBWOAKTPPROIX-UHFFFAOYSA-N -1 3 310.361 2.056 20 50 DEGDHM C[C@@H]1CCC[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824929172 607348685 /nfs/dbraw/zinc/34/86/85/607348685.db2.gz WWHSOKRREXNMMG-PWSUYJOCSA-N -1 3 300.366 2.136 20 50 DEGDHM C[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000824040908 607352194 /nfs/dbraw/zinc/35/21/94/607352194.db2.gz VAFXZHSTAJWJKV-VIFPVBQESA-N -1 3 314.374 2.175 20 50 DEGDHM Cc1cc(C)cc(NNC(=O)Cc2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826264545 607381522 /nfs/dbraw/zinc/38/15/22/607381522.db2.gz RSEHVKYPGOULFT-UHFFFAOYSA-N -1 3 322.372 2.169 20 50 DEGDHM Cc1cc(C)cc(NNC(=O)Cc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826264545 607381524 /nfs/dbraw/zinc/38/15/24/607381524.db2.gz RSEHVKYPGOULFT-UHFFFAOYSA-N -1 3 322.372 2.169 20 50 DEGDHM CCOc1cccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000825648751 607713708 /nfs/dbraw/zinc/71/37/08/607713708.db2.gz ALLJPBAXWVVTGT-UHFFFAOYSA-N -1 3 324.344 2.022 20 50 DEGDHM CCOc1cccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000825648751 607713709 /nfs/dbraw/zinc/71/37/09/607713709.db2.gz ALLJPBAXWVVTGT-UHFFFAOYSA-N -1 3 324.344 2.022 20 50 DEGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)sc1C ZINC000826260147 607715619 /nfs/dbraw/zinc/71/56/19/607715619.db2.gz YQNSNRVWCQPPEQ-UHFFFAOYSA-N -1 3 314.374 2.302 20 50 DEGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)sc1C ZINC000826260147 607715620 /nfs/dbraw/zinc/71/56/20/607715620.db2.gz YQNSNRVWCQPPEQ-UHFFFAOYSA-N -1 3 314.374 2.302 20 50 DEGDHM O=C(C=Cc1cccc(F)c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826401418 607723174 /nfs/dbraw/zinc/72/31/74/607723174.db2.gz XYEUDZXVJGFBRW-BQYQJAHWSA-N -1 3 324.319 2.162 20 50 DEGDHM O=C(C=Cc1cccc(F)c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826401418 607723176 /nfs/dbraw/zinc/72/31/76/607723176.db2.gz XYEUDZXVJGFBRW-BQYQJAHWSA-N -1 3 324.319 2.162 20 50 DEGDHM O=C(NNc1ccccc1)Nc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000826449139 608078750 /nfs/dbraw/zinc/07/87/50/608078750.db2.gz DBOKTUBNWBEYOM-UHFFFAOYSA-N -1 3 313.296 2.154 20 50 DEGDHM O=C(NNc1ccccc1)Nc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000826449139 608078751 /nfs/dbraw/zinc/07/87/51/608078751.db2.gz DBOKTUBNWBEYOM-UHFFFAOYSA-N -1 3 313.296 2.154 20 50 DEGDHM C[C@H]1CC(C(=O)NNc2cccc(-c3nnn[n-]3)c2)C[C@H](C)C1 ZINC000824875705 609164120 /nfs/dbraw/zinc/16/41/20/609164120.db2.gz NUVLQEVBLZVINQ-GHMZBOCLSA-N -1 3 314.393 2.382 20 50 DEGDHM C[C@H]1CC(C(=O)NNc2cccc(-c3nn[n-]n3)c2)C[C@H](C)C1 ZINC000824875705 609164123 /nfs/dbraw/zinc/16/41/23/609164123.db2.gz NUVLQEVBLZVINQ-GHMZBOCLSA-N -1 3 314.393 2.382 20 50 DEGDHM C[C@@H]1CCC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)[C@H](C)C1 ZINC000824900313 609469030 /nfs/dbraw/zinc/46/90/30/609469030.db2.gz UTJPOVNOLSQFFP-GHMZBOCLSA-N -1 3 312.377 2.409 20 50 DEGDHM C[C@@H]1CCC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)[C@H](C)C1 ZINC000824900313 609469031 /nfs/dbraw/zinc/46/90/31/609469031.db2.gz UTJPOVNOLSQFFP-GHMZBOCLSA-N -1 3 312.377 2.409 20 50 DEGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1cccs1 ZINC000735450618 944658731 /nfs/dbraw/zinc/65/87/31/944658731.db2.gz BFIPQLDNVNBCIA-UHFFFAOYSA-N -1 3 312.358 2.082 20 50 DEGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1cccs1 ZINC000735450618 944658734 /nfs/dbraw/zinc/65/87/34/944658734.db2.gz BFIPQLDNVNBCIA-UHFFFAOYSA-N -1 3 312.358 2.082 20 50 DEGDHM C[C@@H](NC(=O)NNc1ccccc1)c1cccc(-c2nnn[n-]2)c1 ZINC000820373426 945434625 /nfs/dbraw/zinc/43/46/25/945434625.db2.gz HEWWIHNELJAYEK-LLVKDONJSA-N -1 3 323.360 2.254 20 50 DEGDHM C[C@@H](NC(=O)NNc1ccccc1)c1cccc(-c2nn[n-]n2)c1 ZINC000820373426 945434629 /nfs/dbraw/zinc/43/46/29/945434629.db2.gz HEWWIHNELJAYEK-LLVKDONJSA-N -1 3 323.360 2.254 20 50 DEGDHM O=C(C=CC1CCCCC1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826400064 607354355 /nfs/dbraw/zinc/35/43/55/607354355.db2.gz OAOCRESCRCJOOD-IZZDOVSWSA-N -1 3 312.377 2.446 20 50 DEGDHM Cc1cc(F)cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826268115 607712033 /nfs/dbraw/zinc/71/20/33/607712033.db2.gz KIPYQMZOTMNQKJ-UHFFFAOYSA-N -1 3 312.308 2.071 20 50 DEGDHM Cc1cc(F)cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826268115 607712035 /nfs/dbraw/zinc/71/20/35/607712035.db2.gz KIPYQMZOTMNQKJ-UHFFFAOYSA-N -1 3 312.308 2.071 20 50 DEGDHM CCc1ccccc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825723123 607727846 /nfs/dbraw/zinc/72/78/46/607727846.db2.gz RUCGTPZOBZZDHN-UHFFFAOYSA-N -1 3 308.345 2.186 20 50 DEGDHM CCc1ccccc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825723123 607727847 /nfs/dbraw/zinc/72/78/47/607727847.db2.gz RUCGTPZOBZZDHN-UHFFFAOYSA-N -1 3 308.345 2.186 20 50 DEGDHM C[C@H](C(=O)NNc1ccccc1C(=O)[O-])N1[C@H](C)CC[C@H]1C ZINC000833602052 605721921 /nfs/dbraw/zinc/72/19/21/605721921.db2.gz HMFFUXKCWUMSJT-IJLUTSLNSA-N -1 3 305.378 2.089 20 50 DEGDHM Cc1ccccc1NC(=O)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826307396 607886356 /nfs/dbraw/zinc/88/63/56/607886356.db2.gz GWCGAGDQAOWRAJ-UHFFFAOYSA-N -1 3 321.344 2.331 20 50 DEGDHM Cc1ccccc1NC(=O)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826307396 607886357 /nfs/dbraw/zinc/88/63/57/607886357.db2.gz GWCGAGDQAOWRAJ-UHFFFAOYSA-N -1 3 321.344 2.331 20 50 DEGDHM Cc1noc(C)c1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826338741 608216921 /nfs/dbraw/zinc/21/69/21/608216921.db2.gz GRPMTNYSBVYRJT-QPEQYQDCSA-N -1 3 320.312 2.261 20 50 DEGDHM Cc1noc(C)c1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826338741 608216923 /nfs/dbraw/zinc/21/69/23/608216923.db2.gz GRPMTNYSBVYRJT-QPEQYQDCSA-N -1 3 320.312 2.261 20 50 DEGDHM CC[C@@H](C)C(=O)C(C#N)=Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000736319458 944799486 /nfs/dbraw/zinc/79/94/86/944799486.db2.gz KXWDZVLMHHZUBR-CEXMDJMXSA-N -1 3 311.345 2.397 20 50 DEGDHM CC[C@@H](C)C(=O)C(C#N)=Cc1ccc(OC)c(-c2nn[n-]n2)c1 ZINC000736319458 944799497 /nfs/dbraw/zinc/79/94/97/944799497.db2.gz KXWDZVLMHHZUBR-CEXMDJMXSA-N -1 3 311.345 2.397 20 50 DEGDHM C=C/C=C\CC(=O)NNc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001573314693 947234098 /nfs/dbraw/zinc/23/40/98/947234098.db2.gz DZZKRWXTZRJBAX-ARJAWSKDSA-N -1 3 304.741 2.096 20 50 DEGDHM C=C/C=C\CC(=O)NNc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001573314693 947234110 /nfs/dbraw/zinc/23/41/10/947234110.db2.gz DZZKRWXTZRJBAX-ARJAWSKDSA-N -1 3 304.741 2.096 20 50 DEGDHM CC(C)C[C@@H](C)CC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824227995 607336557 /nfs/dbraw/zinc/33/65/57/607336557.db2.gz CRPHAMGGHPRWDK-LLVKDONJSA-N -1 3 302.382 2.382 20 50 DEGDHM CC(C)C[C@@H](C)CC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824227995 607336558 /nfs/dbraw/zinc/33/65/58/607336558.db2.gz CRPHAMGGHPRWDK-LLVKDONJSA-N -1 3 302.382 2.382 20 50 DEGDHM Cc1oc(C)c(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000826341019 607355321 /nfs/dbraw/zinc/35/53/21/607355321.db2.gz TWRMZFSKPWFQSN-UHFFFAOYSA-N -1 3 312.333 2.142 20 50 DEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1Cl ZINC000826448566 607715955 /nfs/dbraw/zinc/71/59/55/607715955.db2.gz AJLCYMUQIIBRCG-UHFFFAOYSA-N -1 3 314.736 2.277 20 50 DEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1Cl ZINC000826448566 607715957 /nfs/dbraw/zinc/71/59/57/607715957.db2.gz AJLCYMUQIIBRCG-UHFFFAOYSA-N -1 3 314.736 2.277 20 50 DEGDHM C[C@@H]1CCCC[C@@H]1C=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000824938193 609468694 /nfs/dbraw/zinc/46/86/94/609468694.db2.gz UPYDOCWYIDLYAC-BXUZGUMPSA-N -1 3 312.377 2.409 20 50 DEGDHM C[C@@H]1CCCC[C@@H]1C=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000824938193 609468696 /nfs/dbraw/zinc/46/86/96/609468696.db2.gz UPYDOCWYIDLYAC-BXUZGUMPSA-N -1 3 312.377 2.409 20 50 DEGDHM CC(C)CC(=O)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000820051264 945338181 /nfs/dbraw/zinc/33/81/81/945338181.db2.gz LWTQWNKUMVIJOI-UHFFFAOYSA-N -1 3 312.377 2.069 20 50 DEGDHM CC(C)CC(=O)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000820051264 945338189 /nfs/dbraw/zinc/33/81/89/945338189.db2.gz LWTQWNKUMVIJOI-UHFFFAOYSA-N -1 3 312.377 2.069 20 50 DEGDHM CCC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000736303000 944791597 /nfs/dbraw/zinc/79/15/97/944791597.db2.gz GLPLDLFBGHSAFL-UHFFFAOYSA-N -1 3 320.356 2.411 20 50 DEGDHM CCC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000736303000 944791603 /nfs/dbraw/zinc/79/16/03/944791603.db2.gz GLPLDLFBGHSAFL-UHFFFAOYSA-N -1 3 320.356 2.411 20 50 DEGDHM Cc1ccc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)cc1F ZINC000737331178 945041168 /nfs/dbraw/zinc/04/11/68/945041168.db2.gz VTBPIVXJNWNHEG-UHFFFAOYSA-N -1 3 324.319 2.078 20 50 DEGDHM Cc1ccc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)cc1F ZINC000737331178 945041179 /nfs/dbraw/zinc/04/11/79/945041179.db2.gz VTBPIVXJNWNHEG-UHFFFAOYSA-N -1 3 324.319 2.078 20 50 DEGDHM CC[C@@H](C)C[C@@H](C)NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000820869595 945578242 /nfs/dbraw/zinc/57/82/42/945578242.db2.gz IEBOHRBMUKQILN-GHMZBOCLSA-N -1 3 317.397 2.318 20 50 DEGDHM CC[C@@H](C)C[C@@H](C)NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000820869595 945578248 /nfs/dbraw/zinc/57/82/48/945578248.db2.gz IEBOHRBMUKQILN-GHMZBOCLSA-N -1 3 317.397 2.318 20 50 DEGDHM CN(N=Cc1ccc(-c2nnn[n-]2)s1)C(=O)OC(C)(C)C ZINC000821619500 945748246 /nfs/dbraw/zinc/74/82/46/945748246.db2.gz ZXZMUFCNQWPWOG-UHFFFAOYSA-N -1 3 308.367 2.129 20 50 DEGDHM C[C@H](C(=O)NNc1cccc(F)c1C(=O)[O-])N1[C@H](C)CC[C@H]1C ZINC001594303300 999173958 /nfs/dbraw/zinc/17/39/58/999173958.db2.gz SXGVNDCXYIZPQA-GMTAPVOTSA-N -1 3 323.368 2.228 20 50 DEGDHM C[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccsc1 ZINC000824039532 607353551 /nfs/dbraw/zinc/35/35/51/607353551.db2.gz FGARUDFEGGSETI-VIFPVBQESA-N -1 3 314.374 2.175 20 50 DEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc2ccccc2o1 ZINC000826447025 607353576 /nfs/dbraw/zinc/35/35/76/607353576.db2.gz KGQRRLTZXWLIGR-UHFFFAOYSA-N -1 3 320.312 2.370 20 50 DEGDHM O=C(C=Cc1cccs1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826403266 607355456 /nfs/dbraw/zinc/35/54/56/607355456.db2.gz NUQIAPZAFMOWNV-FPLPWBNLSA-N -1 3 312.358 2.085 20 50 DEGDHM CC(C)C[C@@H](C)CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824229669 607356131 /nfs/dbraw/zinc/35/61/31/607356131.db2.gz UKPCKGAKYGNCEJ-LLVKDONJSA-N -1 3 302.382 2.382 20 50 DEGDHM Cc1ccccc1NNC(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000826307420 607430817 /nfs/dbraw/zinc/43/08/17/607430817.db2.gz HOUTYUUNZLXEGX-UHFFFAOYSA-N -1 3 308.345 2.240 20 50 DEGDHM Cc1ccccc1NNC(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000826307420 607430819 /nfs/dbraw/zinc/43/08/19/607430819.db2.gz HOUTYUUNZLXEGX-UHFFFAOYSA-N -1 3 308.345 2.240 20 50 DEGDHM CCc1ccc(CC(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000825704464 607729423 /nfs/dbraw/zinc/72/94/23/607729423.db2.gz JFJGHAMEDLUTSC-UHFFFAOYSA-N -1 3 322.372 2.115 20 50 DEGDHM CCc1ccc(CC(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000825704464 607729425 /nfs/dbraw/zinc/72/94/25/607729425.db2.gz JFJGHAMEDLUTSC-UHFFFAOYSA-N -1 3 322.372 2.115 20 50 DEGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)Nc1ccccc1 ZINC000826378907 607883609 /nfs/dbraw/zinc/88/36/09/607883609.db2.gz DJUYIBNDCPYTCQ-JLHYYAGUSA-N -1 3 316.324 2.412 20 50 DEGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)Nc1ccccc1 ZINC000826378907 607883610 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OPDLDWXANVZYMJ-QWRGUYRKSA-N -1 3 300.366 2.136 20 50 DEGDHM C[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)C1CCCC1 ZINC000824041204 607728798 /nfs/dbraw/zinc/72/87/98/607728798.db2.gz ZHFRBLYLHDWROQ-JTQLQIEISA-N -1 3 300.366 2.136 20 50 DEGDHM C[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)C1CCCC1 ZINC000824041204 607728799 /nfs/dbraw/zinc/72/87/99/607728799.db2.gz ZHFRBLYLHDWROQ-JTQLQIEISA-N -1 3 300.366 2.136 20 50 DEGDHM CC1(C)CC[C@H](NC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824801681 608622814 /nfs/dbraw/zinc/62/28/14/608622814.db2.gz GCUQRXLOOMYRGL-LBPRGKRZSA-N -1 3 315.381 2.072 20 50 DEGDHM CC1(C)CC[C@H](NC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824801681 608622815 /nfs/dbraw/zinc/62/28/15/608622815.db2.gz GCUQRXLOOMYRGL-LBPRGKRZSA-N -1 3 315.381 2.072 20 50 DEGDHM CC1(C)CC[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824796557 609416094 /nfs/dbraw/zinc/41/60/94/609416094.db2.gz QMUDLNUNHFBNSN-LLVKDONJSA-N -1 3 300.366 2.136 20 50 DEGDHM CC(=NNC(=O)c1cccc(-c2nnn[n-]2)c1)c1ccccc1C ZINC000735451163 944661620 /nfs/dbraw/zinc/66/16/20/944661620.db2.gz QVPFEIMIDAGTNC-UHFFFAOYSA-N -1 3 320.356 2.329 20 50 DEGDHM CC(=NNC(=O)c1cccc(-c2nn[n-]n2)c1)c1ccccc1C ZINC000735451163 944661625 /nfs/dbraw/zinc/66/16/25/944661625.db2.gz QVPFEIMIDAGTNC-UHFFFAOYSA-N -1 3 320.356 2.329 20 50 DEGDHM O=C(CC1CCCCC1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826404165 607350576 /nfs/dbraw/zinc/35/05/76/607350576.db2.gz QOUVWDQGFRGRFO-UHFFFAOYSA-N -1 3 300.366 2.280 20 50 DEGDHM Cc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1C ZINC000826281714 607731434 /nfs/dbraw/zinc/73/14/34/607731434.db2.gz GWZXXSYIIFMNBB-UHFFFAOYSA-N -1 3 308.345 2.240 20 50 DEGDHM Cc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1C ZINC000826281714 607731436 /nfs/dbraw/zinc/73/14/36/607731436.db2.gz GWZXXSYIIFMNBB-UHFFFAOYSA-N -1 3 308.345 2.240 20 50 DEGDHM CCC[C@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)C(C)C ZINC000825224849 608200061 /nfs/dbraw/zinc/20/00/61/608200061.db2.gz DIYYPSJFRCQJRU-ZDUSSCGKSA-N -1 3 302.382 2.382 20 50 DEGDHM Cc1ncccc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826330220 608218991 /nfs/dbraw/zinc/21/89/91/608218991.db2.gz KOBHVBCTPFSFNB-NVNXTCNLSA-N -1 3 316.324 2.360 20 50 DEGDHM Cc1ncccc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826330220 608218992 /nfs/dbraw/zinc/21/89/92/608218992.db2.gz KOBHVBCTPFSFNB-NVNXTCNLSA-N -1 3 316.324 2.360 20 50 DEGDHM Cc1ncccc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826330221 608219056 /nfs/dbraw/zinc/21/90/56/608219056.db2.gz KOBHVBCTPFSFNB-OVCLIPMQSA-N -1 3 316.324 2.360 20 50 DEGDHM Cc1ncccc1C=C(C#N)C(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000826330221 608219058 /nfs/dbraw/zinc/21/90/58/608219058.db2.gz KOBHVBCTPFSFNB-OVCLIPMQSA-N -1 3 316.324 2.360 20 50 DEGDHM CC1(C)CC[C@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824796559 609416368 /nfs/dbraw/zinc/41/63/68/609416368.db2.gz QMUDLNUNHFBNSN-NSHDSACASA-N -1 3 300.366 2.136 20 50 DEGDHM CC[C@H](C)C[C@H](C)NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000820869597 945578752 /nfs/dbraw/zinc/57/87/52/945578752.db2.gz IEBOHRBMUKQILN-QWRGUYRKSA-N -1 3 317.397 2.318 20 50 DEGDHM CC[C@H](C)C[C@H](C)NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000820869597 945578761 /nfs/dbraw/zinc/57/87/61/945578761.db2.gz IEBOHRBMUKQILN-QWRGUYRKSA-N -1 3 317.397 2.318 20 50 DEGDHM CCCCOC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821071947 945630242 /nfs/dbraw/zinc/63/02/42/945630242.db2.gz OKTLLJQAUGEDNG-CLFYSBASSA-N -1 3 303.347 2.178 20 50 DEGDHM CC[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1C)N(CC)CC ZINC001594737545 987281443 /nfs/dbraw/zinc/28/14/43/987281443.db2.gz YEUYRSUQZSKBLK-AWEZNQCLSA-N -1 3 307.394 2.257 20 50 DEGDHM CC(C)CN1CCC[C@@H]1C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001591365125 992366535 /nfs/dbraw/zinc/36/65/35/992366535.db2.gz VTTNFXPYLZZYGL-CQSZACIVSA-N -1 3 323.368 2.087 20 50 DEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C1CCCCCC1 ZINC000826448216 607336451 /nfs/dbraw/zinc/33/64/51/607336451.db2.gz MKOMZNYBINLMJV-UHFFFAOYSA-N -1 3 300.366 2.280 20 50 DEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C1CCCCCC1 ZINC000826448216 607336453 /nfs/dbraw/zinc/33/64/53/607336453.db2.gz MKOMZNYBINLMJV-UHFFFAOYSA-N -1 3 300.366 2.280 20 50 DEGDHM C[C@@H]1CC(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)C[C@@H](C)C1 ZINC000824859889 607654620 /nfs/dbraw/zinc/65/46/20/607654620.db2.gz RSLAMKPVOYFZHP-QWRGUYRKSA-N -1 3 312.377 2.409 20 50 DEGDHM C[C@@H]1CC(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)C[C@@H](C)C1 ZINC000824859889 607654621 /nfs/dbraw/zinc/65/46/21/607654621.db2.gz RSLAMKPVOYFZHP-QWRGUYRKSA-N -1 3 312.377 2.409 20 50 DEGDHM CC(C)n1cccc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824371751 608197820 /nfs/dbraw/zinc/19/78/20/608197820.db2.gz QUJWGZWQSWTGRK-UHFFFAOYSA-N -1 3 311.349 2.006 20 50 DEGDHM CC(C)n1cccc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824371751 608197822 /nfs/dbraw/zinc/19/78/22/608197822.db2.gz QUJWGZWQSWTGRK-UHFFFAOYSA-N -1 3 311.349 2.006 20 50 DEGDHM C[C@H]1C(=NNC(=O)c2cccc(-c3nn[n-]n3)c2)CCC[C@@H]1C ZINC000824919758 609277645 /nfs/dbraw/zinc/27/76/45/609277645.db2.gz YEOPQXLEYYGQSJ-WDEREUQCSA-N -1 3 312.377 2.409 20 50 DEGDHM C[C@H]1C(=NNC(=O)c2cccc(-c3nnn[n-]3)c2)CCC[C@@H]1C ZINC000824919758 609277643 /nfs/dbraw/zinc/27/76/43/609277643.db2.gz YEOPQXLEYYGQSJ-WDEREUQCSA-N -1 3 312.377 2.409 20 50 DEGDHM CC[C@@H](C)C[C@H](C)NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000820869596 945580201 /nfs/dbraw/zinc/58/02/01/945580201.db2.gz IEBOHRBMUKQILN-MNOVXSKESA-N -1 3 317.397 2.318 20 50 DEGDHM CC[C@@H](C)C[C@H](C)NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000820869596 945580204 /nfs/dbraw/zinc/58/02/04/945580204.db2.gz IEBOHRBMUKQILN-MNOVXSKESA-N -1 3 317.397 2.318 20 50 DEGDHM O=C(C=Cc1cccs1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826402891 607335959 /nfs/dbraw/zinc/33/59/59/607335959.db2.gz FHOSPILPCSCWOR-VOTSOKGWSA-N -1 3 312.358 2.085 20 50 DEGDHM O=C(C=Cc1cccs1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826402891 607335960 /nfs/dbraw/zinc/33/59/60/607335960.db2.gz FHOSPILPCSCWOR-VOTSOKGWSA-N -1 3 312.358 2.085 20 50 DEGDHM O=C(C=Cc1ccccc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826400508 607352836 /nfs/dbraw/zinc/35/28/36/607352836.db2.gz AORLUWHBOSYJKC-IZZDOVSWSA-N -1 3 306.329 2.023 20 50 DEGDHM O=C(C=C(C1CC1)C1CC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826398861 607717840 /nfs/dbraw/zinc/71/78/40/607717840.db2.gz HPXSEWAXXZUZBU-UHFFFAOYSA-N -1 3 310.361 2.056 20 50 DEGDHM O=C(C=C(C1CC1)C1CC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826398861 607717842 /nfs/dbraw/zinc/71/78/42/607717842.db2.gz HPXSEWAXXZUZBU-UHFFFAOYSA-N -1 3 310.361 2.056 20 50 DEGDHM Cc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000826281664 607718823 /nfs/dbraw/zinc/71/88/23/607718823.db2.gz DOMZOURPJDKPRY-UHFFFAOYSA-N -1 3 308.345 2.240 20 50 DEGDHM Cc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000826281664 607718826 /nfs/dbraw/zinc/71/88/26/607718826.db2.gz DOMZOURPJDKPRY-UHFFFAOYSA-N -1 3 308.345 2.240 20 50 DEGDHM N#CC(=Cc1ccccc1-c1nnn[n-]1)C(=O)NC1CCCCC1 ZINC000826379022 607883528 /nfs/dbraw/zinc/88/35/28/607883528.db2.gz HKEPBFNCFQDLNL-JLHYYAGUSA-N -1 3 322.372 2.223 20 50 DEGDHM N#CC(=Cc1ccccc1-c1nn[n-]n1)C(=O)NC1CCCCC1 ZINC000826379022 607883529 /nfs/dbraw/zinc/88/35/29/607883529.db2.gz HKEPBFNCFQDLNL-JLHYYAGUSA-N -1 3 322.372 2.223 20 50 DEGDHM CCC(CC)[C@@H](C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825097636 608074384 /nfs/dbraw/zinc/07/43/84/608074384.db2.gz XTXIGTLNMFXXSR-SNVBAGLBSA-N -1 3 302.382 2.382 20 50 DEGDHM CCC(CC)[C@@H](C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825097636 608074385 /nfs/dbraw/zinc/07/43/85/608074385.db2.gz XTXIGTLNMFXXSR-SNVBAGLBSA-N -1 3 302.382 2.382 20 50 DEGDHM CC(C)(C)C(=O)C(C#N)=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000735586343 944672778 /nfs/dbraw/zinc/67/27/78/944672778.db2.gz LMGXNYXNHPYAIW-WDZFZDKYSA-N -1 3 321.344 2.037 20 50 DEGDHM CC(C)(C)C(=O)C(C#N)=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000735586343 944672785 /nfs/dbraw/zinc/67/27/85/944672785.db2.gz LMGXNYXNHPYAIW-WDZFZDKYSA-N -1 3 321.344 2.037 20 50 DEGDHM CC(C)(C(=O)[O-])N1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1 ZINC001589616575 987481639 /nfs/dbraw/zinc/48/16/39/987481639.db2.gz IKQPJXFLUZUYIR-VIZOYTHASA-N -1 3 317.364 2.171 20 50 DEGDHM CC1CCC(=CC(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000824898291 607337561 /nfs/dbraw/zinc/33/75/61/607337561.db2.gz DVKHHCUAYMXEGC-UHFFFAOYSA-N -1 3 312.377 2.446 20 50 DEGDHM CC1CCC(=CC(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000824898291 607337563 /nfs/dbraw/zinc/33/75/63/607337563.db2.gz DVKHHCUAYMXEGC-UHFFFAOYSA-N -1 3 312.377 2.446 20 50 DEGDHM Cc1cccc([C@H](C)C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826296397 607337961 /nfs/dbraw/zinc/33/79/61/607337961.db2.gz VALGPMZIJLPZCB-LBPRGKRZSA-N -1 3 322.372 2.422 20 50 DEGDHM Cc1cccc([C@H](C)C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826296397 607337963 /nfs/dbraw/zinc/33/79/63/607337963.db2.gz VALGPMZIJLPZCB-LBPRGKRZSA-N -1 3 322.372 2.422 20 50 DEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cccc2[nH]ccc21 ZINC000826447226 607353517 /nfs/dbraw/zinc/35/35/17/607353517.db2.gz VAHLQRPDMLRKSC-UHFFFAOYSA-N -1 3 319.328 2.105 20 50 DEGDHM C[C@@H]1CC[C@H](CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824908406 607356509 /nfs/dbraw/zinc/35/65/09/607356509.db2.gz OPDLDWXANVZYMJ-MNOVXSKESA-N -1 3 300.366 2.136 20 50 DEGDHM Cc1cc(F)ccc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826268446 607356709 /nfs/dbraw/zinc/35/67/09/607356709.db2.gz XOQIVEKINRGDDG-UHFFFAOYSA-N -1 3 312.308 2.071 20 50 DEGDHM C=CCCC[C@@H](C)NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000823894328 946504422 /nfs/dbraw/zinc/50/44/22/946504422.db2.gz NJDITOQFPILECB-LLVKDONJSA-N -1 3 315.381 2.238 20 50 DEGDHM C=CCCC[C@@H](C)NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000823894328 946504429 /nfs/dbraw/zinc/50/44/29/946504429.db2.gz NJDITOQFPILECB-LLVKDONJSA-N -1 3 315.381 2.238 20 50 DEGDHM CC[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1F)N(CC)CC ZINC001594735999 987273880 /nfs/dbraw/zinc/27/38/80/987273880.db2.gz IHDNBOQZTKSVEF-LBPRGKRZSA-N -1 3 311.357 2.087 20 50 DEGDHM Cc1cc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000826259729 607335611 /nfs/dbraw/zinc/33/56/11/607335611.db2.gz CCXZRFCOUHZPBS-UHFFFAOYSA-N -1 3 314.374 2.302 20 50 DEGDHM Cc1cc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000826259729 607335613 /nfs/dbraw/zinc/33/56/13/607335613.db2.gz CCXZRFCOUHZPBS-UHFFFAOYSA-N -1 3 314.374 2.302 20 50 DEGDHM Cc1ccc([C@H](C)C(=O)NNc2ccc(-c3nn[n-]n3)cc2)o1 ZINC000826282863 607341867 /nfs/dbraw/zinc/34/18/67/607341867.db2.gz DNCPYDLAAKZPMI-JTQLQIEISA-N -1 3 312.333 2.015 20 50 DEGDHM CCc1ccc(CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825704961 607352630 /nfs/dbraw/zinc/35/26/30/607352630.db2.gz RTBPLVCFEDLYPH-UHFFFAOYSA-N -1 3 322.372 2.115 20 50 DEGDHM Cc1cccc([C@H](C)C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826296507 607356885 /nfs/dbraw/zinc/35/68/85/607356885.db2.gz ZKANCQCQGKVGQK-LBPRGKRZSA-N -1 3 322.372 2.422 20 50 DEGDHM CCC[C@@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000825225229 608198301 /nfs/dbraw/zinc/19/83/01/608198301.db2.gz OQZDMMWFOOJJHZ-CYBMUJFWSA-N -1 3 302.382 2.382 20 50 DEGDHM CCC[C@@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000825225229 608198303 /nfs/dbraw/zinc/19/83/03/608198303.db2.gz OQZDMMWFOOJJHZ-CYBMUJFWSA-N -1 3 302.382 2.382 20 50 DEGDHM C[C@H]1C[C@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)C[C@@H](C)C1 ZINC000824875706 609164101 /nfs/dbraw/zinc/16/41/01/609164101.db2.gz NUVLQEVBLZVINQ-PJXYFTJBSA-N -1 3 314.393 2.382 20 50 DEGDHM C[C@H]1C[C@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)C[C@@H](C)C1 ZINC000824875706 609164103 /nfs/dbraw/zinc/16/41/03/609164103.db2.gz NUVLQEVBLZVINQ-PJXYFTJBSA-N -1 3 314.393 2.382 20 50 DEGDHM CCS[C@H](C(=O)NNc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000825668146 607337534 /nfs/dbraw/zinc/33/75/34/607337534.db2.gz BNKJPDFOYGMOKQ-LBPRGKRZSA-N -1 3 320.422 2.088 20 50 DEGDHM CCS[C@H](C(=O)NNc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000825668146 607337537 /nfs/dbraw/zinc/33/75/37/607337537.db2.gz BNKJPDFOYGMOKQ-LBPRGKRZSA-N -1 3 320.422 2.088 20 50 DEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc2[nH]ccc2c1 ZINC000826447299 607348711 /nfs/dbraw/zinc/34/87/11/607348711.db2.gz YYBABNFIHGGHOW-UHFFFAOYSA-N -1 3 319.328 2.105 20 50 DEGDHM C[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1cccs1 ZINC000824040743 607352273 /nfs/dbraw/zinc/35/22/73/607352273.db2.gz VAFXZHSTAJWJKV-SECBINFHSA-N -1 3 314.374 2.175 20 50 DEGDHM Cc1cc(C)cc(NNC(=O)c2cc(-c3nnn[n-]3)cs2)c1 ZINC000826264442 607381571 /nfs/dbraw/zinc/38/15/71/607381571.db2.gz ORDXHNNTTRTVEW-UHFFFAOYSA-N -1 3 314.374 2.302 20 50 DEGDHM Cc1cc(C)cc(NNC(=O)c2cc(-c3nn[n-]n3)cs2)c1 ZINC000826264442 607381573 /nfs/dbraw/zinc/38/15/73/607381573.db2.gz ORDXHNNTTRTVEW-UHFFFAOYSA-N -1 3 314.374 2.302 20 50 DEGDHM CC[C@@H](CC(=O)NNc1cccc(-c2nnn[n-]2)c1)C(C)C ZINC000825083238 607733316 /nfs/dbraw/zinc/73/33/16/607733316.db2.gz YVGABZSDCHCBEK-NSHDSACASA-N -1 3 302.382 2.382 20 50 DEGDHM CC[C@@H](CC(=O)NNc1cccc(-c2nn[n-]n2)c1)C(C)C ZINC000825083238 607733317 /nfs/dbraw/zinc/73/33/17/607733317.db2.gz YVGABZSDCHCBEK-NSHDSACASA-N -1 3 302.382 2.382 20 50 DEGDHM O=C([O-])Nc1ccc(C(=O)NNc2ccncc2)c(Cl)c1 ZINC000834254625 605815204 /nfs/dbraw/zinc/81/52/04/605815204.db2.gz ARQHUHKLRFSWFJ-UHFFFAOYSA-N -1 3 306.709 2.004 20 50 DEGDHM C[C@@H]1CCc2c(sc(NC=C(C#N)C#N)c2-c2nnn[n-]2)C1 ZINC000736279597 944785099 /nfs/dbraw/zinc/78/50/99/944785099.db2.gz LNGDGSDGTJZBIB-MRVPVSSYSA-N -1 3 311.374 2.396 20 50 DEGDHM C[C@@H]1CCc2c(sc(NC=C(C#N)C#N)c2-c2nn[n-]n2)C1 ZINC000736279597 944785103 /nfs/dbraw/zinc/78/51/03/944785103.db2.gz LNGDGSDGTJZBIB-MRVPVSSYSA-N -1 3 311.374 2.396 20 50 DEGDHM COc1ccc(C=C(C#N)C(=O)CC(C)C)cc1-c1nnn[n-]1 ZINC000737074979 944945673 /nfs/dbraw/zinc/94/56/73/944945673.db2.gz ICUDMFBBVRAREX-GHXNOFRVSA-N -1 3 311.345 2.397 20 50 DEGDHM COc1ccc(C=C(C#N)C(=O)CC(C)C)cc1-c1nn[n-]n1 ZINC000737074979 944945677 /nfs/dbraw/zinc/94/56/77/944945677.db2.gz ICUDMFBBVRAREX-GHXNOFRVSA-N -1 3 311.345 2.397 20 50 DEGDHM CC[C@@H]1CCC[C@@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000820981320 945604129 /nfs/dbraw/zinc/60/41/29/945604129.db2.gz QZEZBENAYJFPNU-MFKMUULPSA-N -1 3 315.381 2.072 20 50 DEGDHM CC[C@@H]1CCC[C@@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000820981320 945604133 /nfs/dbraw/zinc/60/41/33/945604133.db2.gz 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Cc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000826281580 607722121 /nfs/dbraw/zinc/72/21/21/607722121.db2.gz AFAKMFRSRROECU-UHFFFAOYSA-N -1 3 312.308 2.071 20 50 DEGDHM O=C(CC1CCCCC1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826404189 607728031 /nfs/dbraw/zinc/72/80/31/607728031.db2.gz RHDZVFXEDVDWOB-UHFFFAOYSA-N -1 3 300.366 2.280 20 50 DEGDHM O=C(CC1CCCCC1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826404189 607728033 /nfs/dbraw/zinc/72/80/33/607728033.db2.gz RHDZVFXEDVDWOB-UHFFFAOYSA-N -1 3 300.366 2.280 20 50 DEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C1CCC(F)(F)CC1 ZINC000826448383 607995981 /nfs/dbraw/zinc/99/59/81/607995981.db2.gz SSXYNSKIBJDRFG-UHFFFAOYSA-N -1 3 322.319 2.135 20 50 DEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C1CCC(F)(F)CC1 ZINC000826448383 607995982 /nfs/dbraw/zinc/99/59/82/607995982.db2.gz SSXYNSKIBJDRFG-UHFFFAOYSA-N -1 3 322.319 2.135 20 50 DEGDHM Cc1ncsc1C=C(C#N)C(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000826331378 608214906 /nfs/dbraw/zinc/21/49/06/608214906.db2.gz FVCSYYBJAPQDKH-SDQBBNPISA-N -1 3 322.353 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C[C@@H]1CCC[C@@H](C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000824929173 607348913 /nfs/dbraw/zinc/34/89/13/607348913.db2.gz WWHSOKRREXNMMG-ZYHUDNBSSA-N -1 3 300.366 2.136 20 50 DEGDHM N#CC(=Cc1cc(-c2nnn[n-]2)cs1)C(=O)Nc1ccccc1 ZINC000822796797 946189723 /nfs/dbraw/zinc/18/97/23/946189723.db2.gz ZBVAWNRZRUNUOI-UXBLZVDNSA-N -1 3 322.353 2.474 20 50 DEGDHM N#CC(=Cc1cc(-c2nn[n-]n2)cs1)C(=O)Nc1ccccc1 ZINC000822796797 946189732 /nfs/dbraw/zinc/18/97/32/946189732.db2.gz ZBVAWNRZRUNUOI-UXBLZVDNSA-N -1 3 322.353 2.474 20 50 DEGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1coc2ccccc12 ZINC000826447591 607343843 /nfs/dbraw/zinc/34/38/43/607343843.db2.gz MNXYMNWSKMFVQS-UHFFFAOYSA-N -1 3 320.312 2.370 20 50 DEGDHM Cc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000826281601 607346774 /nfs/dbraw/zinc/34/67/74/607346774.db2.gz BGSMDJHVAFGLSI-UHFFFAOYSA-N -1 3 312.308 2.071 20 50 DEGDHM Cc1cccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1F ZINC000826295954 607356752 /nfs/dbraw/zinc/35/67/52/607356752.db2.gz DZFTZOPAZXQKCA-UHFFFAOYSA-N -1 3 312.308 2.071 20 50 DEGDHM CC(C)(C(=O)NNc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC000824065172 607714530 /nfs/dbraw/zinc/71/45/30/607714530.db2.gz VACTUHYTRWXAKM-UHFFFAOYSA-N -1 3 322.372 2.288 20 50 DEGDHM CC(C)(C(=O)NNc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC000824065172 607714531 /nfs/dbraw/zinc/71/45/31/607714531.db2.gz VACTUHYTRWXAKM-UHFFFAOYSA-N -1 3 322.372 2.288 20 50 DEGDHM Cc1cccc(CCC(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826297424 607722544 /nfs/dbraw/zinc/72/25/44/607722544.db2.gz HCXBGWJNVSMNPE-UHFFFAOYSA-N -1 3 322.372 2.251 20 50 DEGDHM Cc1cccc(CCC(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826297424 607722547 /nfs/dbraw/zinc/72/25/47/607722547.db2.gz HCXBGWJNVSMNPE-UHFFFAOYSA-N -1 3 322.372 2.251 20 50 DEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C1(c2ccccc2)CC1 ZINC000826447582 607728403 /nfs/dbraw/zinc/72/84/03/607728403.db2.gz MFHSJYPCNYWBPG-UHFFFAOYSA-N -1 3 320.356 2.042 20 50 DEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C1(c2ccccc2)CC1 ZINC000826447582 607728404 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CC(=NNC(=O)CC(C)(C)C)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948228 609276623 /nfs/dbraw/zinc/27/66/23/609276623.db2.gz IGILCDCXXGLNAV-UHFFFAOYSA-N -1 3 318.356 2.282 20 50 DEGDHM CC(=NNC(=O)CC(C)(C)C)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948228 609276624 /nfs/dbraw/zinc/27/66/24/609276624.db2.gz IGILCDCXXGLNAV-UHFFFAOYSA-N -1 3 318.356 2.282 20 50 DEGDHM C[C@@H](CNC(=O)NNc1cccc(-c2nnn[n-]2)c1)C(C)(C)C ZINC000736017920 944736071 /nfs/dbraw/zinc/73/60/71/944736071.db2.gz RSZQZGHZLHLLFQ-JTQLQIEISA-N -1 3 317.397 2.175 20 50 DEGDHM C[C@@H](CNC(=O)NNc1cccc(-c2nn[n-]n2)c1)C(C)(C)C ZINC000736017920 944736080 /nfs/dbraw/zinc/73/60/80/944736080.db2.gz RSZQZGHZLHLLFQ-JTQLQIEISA-N -1 3 317.397 2.175 20 50 DEGDHM CC[C@@H](C)C(=O)C(C#N)=Cc1cnc2ccc(-c3nnn[n-]3)cn12 ZINC000736318053 944798847 /nfs/dbraw/zinc/79/88/47/944798847.db2.gz BDKSTCPGSILXBS-GWHHBTOMSA-N -1 3 321.344 2.037 20 50 DEGDHM CC[C@@H](C)C(=O)C(C#N)=Cc1cnc2ccc(-c3nn[n-]n3)cn12 ZINC000736318053 944798857 /nfs/dbraw/zinc/79/88/57/944798857.db2.gz BDKSTCPGSILXBS-GWHHBTOMSA-N -1 3 321.344 2.037 20 50 DEGDHM CC1(C)CCC[C@@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000820589290 945495078 /nfs/dbraw/zinc/49/50/78/945495078.db2.gz BPGFPKCLLPFUKD-LBPRGKRZSA-N -1 3 315.381 2.072 20 50 DEGDHM CC1(C)CCC[C@@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000820589290 945495081 /nfs/dbraw/zinc/49/50/81/945495081.db2.gz BPGFPKCLLPFUKD-LBPRGKRZSA-N -1 3 315.381 2.072 20 50 DEGDHM CCCCCNC(=O)C(C#N)=Cc1ccc(-c2nnn[n-]2)s1 ZINC000821056801 945625429 /nfs/dbraw/zinc/62/54/29/945625429.db2.gz XQHZAMLNYUYYTQ-CSKARUKUSA-N -1 3 316.390 2.142 20 50 DEGDHM C[C@@H](C(=O)NNc1ccc(-c2nn[n-]n2)cc1)c1ccsc1 ZINC000824039531 607353487 /nfs/dbraw/zinc/35/34/87/607353487.db2.gz FGARUDFEGGSETI-SECBINFHSA-N -1 3 314.374 2.175 20 50 DEGDHM O=C(C=CC1CCCCC1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826400065 607354276 /nfs/dbraw/zinc/35/42/76/607354276.db2.gz OAOCRESCRCJOOD-WDZFZDKYSA-N -1 3 312.377 2.446 20 50 DEGDHM C[C@H]1CC(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C[C@H](C)C1 ZINC000824877599 609164151 /nfs/dbraw/zinc/16/41/51/609164151.db2.gz ZBGQQCWJSXGKMD-GHMZBOCLSA-N -1 3 314.393 2.382 20 50 DEGDHM C[C@@H]1CCCC(=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)[C@@H]1C ZINC000824915155 609275987 /nfs/dbraw/zinc/27/59/87/609275987.db2.gz BRMHHRDKECLQQZ-GHMZBOCLSA-N -1 3 312.377 2.409 20 50 DEGDHM C[C@@H]1CCCC(=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)[C@@H]1C ZINC000824915155 609275988 /nfs/dbraw/zinc/27/59/88/609275988.db2.gz BRMHHRDKECLQQZ-GHMZBOCLSA-N -1 3 312.377 2.409 20 50 DEGDHM CCc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825704477 607347972 /nfs/dbraw/zinc/34/79/72/607347972.db2.gz JNGQVOJSAMMCKB-UHFFFAOYSA-N -1 3 308.345 2.186 20 50 DEGDHM Cc1ccc(C)c(NNC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000826285230 607381930 /nfs/dbraw/zinc/38/19/30/607381930.db2.gz SNUMWYUZRTVNFK-UHFFFAOYSA-N -1 3 314.374 2.302 20 50 DEGDHM Cc1ccc(C)c(NNC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000826285230 607381932 /nfs/dbraw/zinc/38/19/32/607381932.db2.gz SNUMWYUZRTVNFK-UHFFFAOYSA-N -1 3 314.374 2.302 20 50 DEGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H]1CCc2ccccc21 ZINC000826448244 607718472 /nfs/dbraw/zinc/71/84/72/607718472.db2.gz NPSUUGHCYHLSNO-HNNXBMFYSA-N -1 3 320.356 2.040 20 50 DEGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H]1CCc2ccccc21 ZINC000826448244 607718475 /nfs/dbraw/zinc/71/84/75/607718475.db2.gz NPSUUGHCYHLSNO-HNNXBMFYSA-N -1 3 320.356 2.040 20 50 DEGDHM C[C@@H](C(=O)NNc1ccccc1C(=O)[O-])N1[C@H](C)CC[C@H]1C ZINC000833602341 605721800 /nfs/dbraw/zinc/72/18/00/605721800.db2.gz HMFFUXKCWUMSJT-UTUOFQBUSA-N -1 3 305.378 2.089 20 50 DEGDHM CC(=NNC(=O)CC1CCCC1)c1ccc(-c2nnn[n-]2)s1 ZINC000823948821 608094355 /nfs/dbraw/zinc/09/43/55/608094355.db2.gz ZPXDWMUOFJMLNP-UHFFFAOYSA-N -1 3 318.406 2.349 20 50 DEGDHM C[C@@H]1CC(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)C[C@@H](C)C1 ZINC000824877601 609164147 /nfs/dbraw/zinc/16/41/47/609164147.db2.gz ZBGQQCWJSXGKMD-QWRGUYRKSA-N -1 3 314.393 2.382 20 50 DEGDHM CC(CCc1ccco1)=NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000735992346 944733373 /nfs/dbraw/zinc/73/33/73/944733373.db2.gz COHIPHKCEZUOGC-UHFFFAOYSA-N -1 3 324.344 2.198 20 50 DEGDHM CC(CCc1ccco1)=NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000735992346 944733380 /nfs/dbraw/zinc/73/33/80/944733380.db2.gz COHIPHKCEZUOGC-UHFFFAOYSA-N -1 3 324.344 2.198 20 50 DEGDHM Cc1cc(C)cc(C=NNC(=O)c2cccc(-c3nnn[n-]3)c2)c1 ZINC000737254421 945023092 /nfs/dbraw/zinc/02/30/92/945023092.db2.gz XIUMWLZCPNFCQH-UHFFFAOYSA-N -1 3 320.356 2.247 20 50 DEGDHM Cc1cc(C)cc(C=NNC(=O)c2cccc(-c3nn[n-]n3)c2)c1 ZINC000737254421 945023103 /nfs/dbraw/zinc/02/31/03/945023103.db2.gz XIUMWLZCPNFCQH-UHFFFAOYSA-N -1 3 320.356 2.247 20 50 DEGDHM CC[C@H]1CCC[C@H]1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000820981319 945604469 /nfs/dbraw/zinc/60/44/69/945604469.db2.gz QZEZBENAYJFPNU-GXFFZTMASA-N -1 3 315.381 2.072 20 50 DEGDHM CC[C@H]1CCC[C@H]1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000820981319 945604473 /nfs/dbraw/zinc/60/44/73/945604473.db2.gz QZEZBENAYJFPNU-GXFFZTMASA-N -1 3 315.381 2.072 20 50 DEGDHM CC(C)c1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cn1 ZINC000824347712 607337276 /nfs/dbraw/zinc/33/72/76/607337276.db2.gz LIIQSCCHFXLWJL-UHFFFAOYSA-N -1 3 323.360 2.142 20 50 DEGDHM CC(C)c1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cn1 ZINC000824347712 607337278 /nfs/dbraw/zinc/33/72/78/607337278.db2.gz LIIQSCCHFXLWJL-UHFFFAOYSA-N -1 3 323.360 2.142 20 50 DEGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNc1cccc(F)c1 ZINC000826249398 607338932 /nfs/dbraw/zinc/33/89/32/607338932.db2.gz AQCWMEOCRXAPBK-UHFFFAOYSA-N -1 3 312.308 2.071 20 50 DEGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNc1cccc(F)c1 ZINC000826249398 607338933 /nfs/dbraw/zinc/33/89/33/607338933.db2.gz AQCWMEOCRXAPBK-UHFFFAOYSA-N -1 3 312.308 2.071 20 50 DEGDHM O=C(C=Cc1ccccc1-c1nnn[n-]1)NNc1cccc(F)c1 ZINC000826401566 607339687 /nfs/dbraw/zinc/33/96/87/607339687.db2.gz BPIGZBNKHDFJKU-CMDGGOBGSA-N -1 3 324.319 2.162 20 50 DEGDHM O=C(C=Cc1ccccc1-c1nn[n-]n1)NNc1cccc(F)c1 ZINC000826401566 607339688 /nfs/dbraw/zinc/33/96/88/607339688.db2.gz BPIGZBNKHDFJKU-CMDGGOBGSA-N -1 3 324.319 2.162 20 50 DEGDHM Cc1cc(C)cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826264415 607341891 /nfs/dbraw/zinc/34/18/91/607341891.db2.gz NLUIYHCHYJURQR-UHFFFAOYSA-N -1 3 308.345 2.240 20 50 DEGDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)NNc1ccc(F)cc1 ZINC000826249878 607656578 /nfs/dbraw/zinc/65/65/78/607656578.db2.gz ZHTHIIZLUBAHDA-UHFFFAOYSA-N -1 3 312.308 2.071 20 50 DEGDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)NNc1ccc(F)cc1 ZINC000826249878 607656579 /nfs/dbraw/zinc/65/65/79/607656579.db2.gz ZHTHIIZLUBAHDA-UHFFFAOYSA-N -1 3 312.308 2.071 20 50 DEGDHM N#CC(C#N)=CNc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826378814 607680138 /nfs/dbraw/zinc/68/01/38/607680138.db2.gz AWCMDTVFRZMMPZ-UHFFFAOYSA-N -1 3 320.341 2.333 20 50 DEGDHM N#CC(C#N)=CNc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826378814 607680140 /nfs/dbraw/zinc/68/01/40/607680140.db2.gz AWCMDTVFRZMMPZ-UHFFFAOYSA-N -1 3 320.341 2.333 20 50 DEGDHM CCC(CC)[C@@H](C)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825096616 608074387 /nfs/dbraw/zinc/07/43/87/608074387.db2.gz ONJIZVFUPMFZAR-SNVBAGLBSA-N -1 3 302.382 2.382 20 50 DEGDHM CCC(CC)[C@H](C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825097633 608074550 /nfs/dbraw/zinc/07/45/50/608074550.db2.gz XTXIGTLNMFXXSR-JTQLQIEISA-N -1 3 302.382 2.382 20 50 DEGDHM CCC(CC)[C@H](C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825097633 608074551 /nfs/dbraw/zinc/07/45/51/608074551.db2.gz XTXIGTLNMFXXSR-JTQLQIEISA-N -1 3 302.382 2.382 20 50 DEGDHM