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(-c2nn[nH]n2)c1 ZINC000820589287 945494848 /nfs/dbraw/zinc/49/48/48/945494848.db2.gz BPGFPKCLLPFUKD-GFCCVEGCSA-N 0 0 315.381 2.072 20 50 DEGDRN CCCCCNC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)s1 ZINC000821056802 945625044 /nfs/dbraw/zinc/62/50/44/945625044.db2.gz XQHZAMLNYUYYTQ-NTMALXAHSA-N 0 0 316.390 2.142 20 50 DEGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)o1)C(=O)c1ccc(F)cc1 ZINC000822796145 946182922 /nfs/dbraw/zinc/18/29/22/946182922.db2.gz MJQJOHRBTQAPHT-JXMROGBWSA-N 0 0 309.260 2.389 20 50 DEGDRN O=C(CCC1CCCCC1)NN=Cc1ccc(-c2nn[nH]n2)o1 ZINC000822950281 946230945 /nfs/dbraw/zinc/23/09/45/946230945.db2.gz IJWJHDFUZZEVRS-UHFFFAOYSA-N 0 0 316.365 2.270 20 50 DEGDRN O=C([O-])c1ccc(C(=O)NNc2cc[nH+]c3ccccc23)cc1 ZINC000740110539 955257802 /nfs/dbraw/zinc/25/78/02/955257802.db2.gz YCCJQIHIPQDNPX-UHFFFAOYSA-N 0 0 307.309 2.112 20 50 DEGDRN C[C@H](CBr)C[N@@H+]1[C@@H]2C[C@@H](C(=O)[O-])O[C@H]2CC[C@H]1C ZINC001592211095 977258393 /nfs/dbraw/zinc/25/83/93/977258393.db2.gz ITIFQTSFDJXLAW-JCIQBVFBSA-N 0 0 320.227 2.112 20 50 DEGDRN C[C@@H](C(=O)NNc1ccc(C(=O)[O-])cc1F)[NH+]1CCCCCC1 ZINC001589422387 986664791 /nfs/dbraw/zinc/66/47/91/986664791.db2.gz GDYXBCCUQSDHRC-NSHDSACASA-N 0 0 323.368 2.232 20 50 DEGDRN CCc1oc(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)cc1C ZINC000825776303 607341884 /nfs/dbraw/zinc/34/18/84/607341884.db2.gz FMIHAUOELLWRPQ-UHFFFAOYSA-N 0 0 312.333 2.087 20 50 DEGDRN Cc1ccc(F)cc1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826290095 607714064 /nfs/dbraw/zinc/71/40/64/607714064.db2.gz ZWNFEFMMNAUAGO-UHFFFAOYSA-N 0 0 312.308 2.071 20 50 DEGDRN CCc1oc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1C ZINC000825776294 607715306 /nfs/dbraw/zinc/71/53/06/607715306.db2.gz FGWMSEIYGYKJIT-UHFFFAOYSA-N 0 0 312.333 2.087 20 50 DEGDRN O=C(CCCc1ccccc1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826406512 607731813 /nfs/dbraw/zinc/73/18/13/607731813.db2.gz ADFXSRFYSUHQSS-UHFFFAOYSA-N 0 0 322.372 2.333 20 50 DEGDRN CC[C@H](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)C(C)C ZINC000825083237 607732938 /nfs/dbraw/zinc/73/29/38/607732938.db2.gz YVGABZSDCHCBEK-LLVKDONJSA-N 0 0 302.382 2.382 20 50 DEGDRN O=C(CCCC(F)(F)F)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826405480 608165094 /nfs/dbraw/zinc/16/50/94/608165094.db2.gz HJGBAIKARRIXMS-UHFFFAOYSA-N 0 0 314.271 2.042 20 50 DEGDRN CCCC(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1 ZINC000821009677 945612156 /nfs/dbraw/zinc/61/21/56/945612156.db2.gz YHSLWLMSROOVAN-UHFFFAOYSA-N 0 0 314.271 2.129 20 50 DEGDRN CCc1ccc(C(C)=NNC(=O)c2cccc(-c3nn[nH]n3)c2)o1 ZINC000821477072 945704534 /nfs/dbraw/zinc/70/45/34/945704534.db2.gz XIMXHMMKTQOXOY-UHFFFAOYSA-N 0 0 324.344 2.176 20 50 DEGDRN Cc1ccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)s1 ZINC000822248681 946033062 /nfs/dbraw/zinc/03/30/62/946033062.db2.gz IKYHYTTVUJBTFA-UHFFFAOYSA-N 0 0 315.362 2.385 20 50 DEGDRN C[C@H]1C(=NNC(=O)CC[NH+]2CCC(C)CC2)CC[C@@H]1CC(=O)[O-] ZINC001343878430 962170809 /nfs/dbraw/zinc/17/08/09/962170809.db2.gz XEWUOILNMDGULN-ZIAGYGMSSA-N 0 0 323.437 2.101 20 50 DEGDRN CC[C@H](C(=O)NNc1cccc(C(=O)[O-])c1C)[NH+](CC)CC ZINC001594737546 987281377 /nfs/dbraw/zinc/28/13/77/987281377.db2.gz YEUYRSUQZSKBLK-CQSZACIVSA-N 0 0 307.394 2.257 20 50 DEGDRN CN(CCI)Cc1ccc(C(=O)[O-])cc1 ZINC001598485498 992200496 /nfs/dbraw/zinc/20/04/96/992200496.db2.gz FFWISNNEZINYTR-UHFFFAOYSA-N 0 0 319.142 2.252 20 50 DEGDRN O=C(C=CC1CCCCC1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826399876 607334496 /nfs/dbraw/zinc/33/44/96/607334496.db2.gz IUDUGAIDNSFKME-MDZDMXLPSA-N 0 0 312.377 2.446 20 50 DEGDRN O=C(NNc1cccc(Cl)c1)c1cc(-c2nn[nH]n2)cs1 ZINC000823280534 606554631 /nfs/dbraw/zinc/55/46/31/606554631.db2.gz ADOKMQDLOHCEOM-UHFFFAOYSA-N 0 0 320.765 2.339 20 50 DEGDRN CCC(CC)[C@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000825096615 608074520 /nfs/dbraw/zinc/07/45/20/608074520.db2.gz ONJIZVFUPMFZAR-JTQLQIEISA-N 0 0 302.382 2.382 20 50 DEGDRN CC(C)(C)C(=O)NN=C1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000819899103 945309276 /nfs/dbraw/zinc/30/92/76/945309276.db2.gz NJGKJKGSRFCDOF-UHFFFAOYSA-N 0 0 312.377 2.069 20 50 DEGDRN C[C@H](C(=O)NNc1ccc(C(=O)[O-])cc1F)[NH+]1CCCCCC1 ZINC001589422386 986664671 /nfs/dbraw/zinc/66/46/71/986664671.db2.gz GDYXBCCUQSDHRC-LLVKDONJSA-N 0 0 323.368 2.232 20 50 DEGDRN C[C@H](C(=O)NNc1cccc(F)c1C(=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC001594303302 999173990 /nfs/dbraw/zinc/17/39/90/999173990.db2.gz SXGVNDCXYIZPQA-OUAUKWLOSA-N 0 0 323.368 2.228 20 50 DEGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)C(F)=C1CCCC1 ZINC000826447504 607338165 /nfs/dbraw/zinc/33/81/65/607338165.db2.gz IVUVKFBORCBZLT-UHFFFAOYSA-N 0 0 302.313 2.107 20 50 DEGDRN CC(C)CCSCC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000824249802 607344860 /nfs/dbraw/zinc/34/48/60/607344860.db2.gz UWRXHTUZPKNOKI-UHFFFAOYSA-N 0 0 320.422 2.089 20 50 DEGDRN Cc1ccc(C)c(NNC(=O)Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826284859 607381784 /nfs/dbraw/zinc/38/17/84/607381784.db2.gz IKHHNXBPZLYZGR-UHFFFAOYSA-N 0 0 322.372 2.169 20 50 DEGDRN Cc1cc(F)ccc1NNC(=O)c1sccc1-c1nn[nH]n1 ZINC000826268589 607392896 /nfs/dbraw/zinc/39/28/96/607392896.db2.gz DIZCSZWGTAWVHH-UHFFFAOYSA-N 0 0 318.337 2.133 20 50 DEGDRN Cc1cccc(NNC(=O)c2ccc(-c3nn[nH]n3)cc2C)c1 ZINC000826299598 607457368 /nfs/dbraw/zinc/45/73/68/607457368.db2.gz MCVBNDJYINDFLV-UHFFFAOYSA-N 0 0 308.345 2.240 20 50 DEGDRN C[C@H]1CC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@@H](C)C1 ZINC000824859888 607654246 /nfs/dbraw/zinc/65/42/46/607654246.db2.gz RSLAMKPVOYFZHP-PHIMTYICSA-N 0 0 312.377 2.409 20 50 DEGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cccc2[nH]ccc21 ZINC000826449061 607732259 /nfs/dbraw/zinc/73/22/59/607732259.db2.gz ZQWJPODCLLLZLA-UHFFFAOYSA-N 0 0 319.328 2.105 20 50 DEGDRN O=C(NNc1ccc(-c2nn[nH]n2)cc1)C1CCC(F)(F)CC1 ZINC000826446363 607995719 /nfs/dbraw/zinc/99/57/19/607995719.db2.gz IUMXDNTWFMBVLO-UHFFFAOYSA-N 0 0 322.319 2.135 20 50 DEGDRN C[C@@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000737194963 944981504 /nfs/dbraw/zinc/98/15/04/944981504.db2.gz XZJJQRZJUWFDCU-LLVKDONJSA-N 0 0 323.360 2.254 20 50 DEGDRN C[C@H](NC(=O)NNc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820373427 945433802 /nfs/dbraw/zinc/43/38/02/945433802.db2.gz HEWWIHNELJAYEK-NSHDSACASA-N 0 0 323.360 2.254 20 50 DEGDRN CCCCOC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)s1 ZINC000821071948 945630618 /nfs/dbraw/zinc/63/06/18/945630618.db2.gz OKTLLJQAUGEDNG-VQHVLOKHSA-N 0 0 303.347 2.178 20 50 DEGDRN Cc1ccccc1NC(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)o1 ZINC000822362455 946069477 /nfs/dbraw/zinc/06/94/77/946069477.db2.gz UFPDEJYNNKOSKJ-FLIBITNWSA-N 0 0 320.312 2.314 20 50 DEGDRN CCOc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000825632078 607335873 /nfs/dbraw/zinc/33/58/73/607335873.db2.gz KNMYKTBPOTVQRA-UHFFFAOYSA-N 0 0 324.344 2.022 20 50 DEGDRN CCc1cc(C)c(C(=O)NNc2ccc(-c3nn[nH]n3)cc2)o1 ZINC000825700928 607344351 /nfs/dbraw/zinc/34/43/51/607344351.db2.gz ZTZIVXPOSKJVFL-UHFFFAOYSA-N 0 0 312.333 2.087 20 50 DEGDRN CC(=CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1ccccc1 ZINC000823942738 607348778 /nfs/dbraw/zinc/34/87/78/607348778.db2.gz IFMYYAWYAUUYNK-VAWYXSNFSA-N 0 0 320.356 2.413 20 50 DEGDRN C[C@H]1CCC[C@H](C(=O)NNc2cccc(-c3nn[nH]n3)c2)C1 ZINC000824929689 607723930 /nfs/dbraw/zinc/72/39/30/607723930.db2.gz XXIAUDMYFNYKLZ-JQWIXIFHSA-N 0 0 300.366 2.136 20 50 DEGDRN O=C(C=Cc1ccccc1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826401378 607732073 /nfs/dbraw/zinc/73/20/73/607732073.db2.gz WVXKMNYWCKABOX-KTKRTIGZSA-N 0 0 306.329 2.023 20 50 DEGDRN CC(C)[C@H](C(=O)NNc1ccccc1C(=O)[O-])[NH+]1CCCCC1 ZINC000833466413 605282192 /nfs/dbraw/zinc/28/21/92/605282192.db2.gz YUNUEVFBBMYCGP-OAHLLOKOSA-N 0 0 319.405 2.338 20 50 DEGDRN C[C@@H](C(=O)NNc1ccccc1C(=O)[O-])[N@H+]1[C@H](C)CC[C@@H]1C ZINC000833602340 605722014 /nfs/dbraw/zinc/72/20/14/605722014.db2.gz HMFFUXKCWUMSJT-TUAOUCFPSA-N 0 0 305.378 2.089 20 50 DEGDRN CCCCCNC(=O)C(C#N)=Cc1ccccc1-c1nn[nH]n1 ZINC000825276120 607884212 /nfs/dbraw/zinc/88/42/12/607884212.db2.gz QLNZLEUNIDHTFX-RAXLEYEMSA-N 0 0 310.361 2.080 20 50 DEGDRN CN(N=Cc1ccccc1-c1nn[nH]n1)C(=O)OC(C)(C)C ZINC000826004057 607886918 /nfs/dbraw/zinc/88/69/18/607886918.db2.gz GVXDNBWWYNSDPM-UHFFFAOYSA-N 0 0 302.338 2.068 20 50 DEGDRN C[C@@H]1CCC[C@@H](C=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824925984 608533607 /nfs/dbraw/zinc/53/36/07/608533607.db2.gz HYGXQWCIQRYWRD-VXGBXAGGSA-N 0 0 312.377 2.409 20 50 DEGDRN CC[C@H](C)C(=O)C(C#N)=Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000736318064 944799746 /nfs/dbraw/zinc/79/97/46/944799746.db2.gz BDKSTCPGSILXBS-PQTFEYQYSA-N 0 0 321.344 2.037 20 50 DEGDRN CN(N=Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)OC(C)(C)C ZINC000821619479 945748298 /nfs/dbraw/zinc/74/82/98/945748298.db2.gz YULDQCHIJIERID-UHFFFAOYSA-N 0 0 320.328 2.207 20 50 DEGDRN CCC[N@@H+]1CCCC[C@H]1C(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001595909603 982997601 /nfs/dbraw/zinc/99/76/01/982997601.db2.gz NWMPJSPONLJHRH-HNNXBMFYSA-N 0 0 319.405 2.021 20 50 DEGDRN CC[NH+](CC)C[C@@H](C)NC(=O)NNc1cccc(C(=O)[O-])c1C ZINC001596260213 983673668 /nfs/dbraw/zinc/67/36/68/983673668.db2.gz LYXMMPHQMFFBGN-LLVKDONJSA-N 0 0 322.409 2.050 20 50 DEGDRN C[NH+](C)[C@H]1CCC[C@@H](C(=O)NNc2ccc(C(=O)[O-])cc2F)C1 ZINC001598190791 990779210 /nfs/dbraw/zinc/77/92/10/990779210.db2.gz LLYOJJYQXZHPLX-PWSUYJOCSA-N 0 0 323.368 2.087 20 50 DEGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1cccc2cc[nH]c21 ZINC000826449006 607336588 /nfs/dbraw/zinc/33/65/88/607336588.db2.gz XKTOPYHQAWGWIX-UHFFFAOYSA-N 0 0 319.328 2.105 20 50 DEGDRN Cc1cccc([C@@H](C)C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826296396 607337888 /nfs/dbraw/zinc/33/78/88/607337888.db2.gz VALGPMZIJLPZCB-GFCCVEGCSA-N 0 0 322.372 2.422 20 50 DEGDRN Cc1cc(F)ccc1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826268771 607338103 /nfs/dbraw/zinc/33/81/03/607338103.db2.gz MQTVGLUYCKSKPR-UHFFFAOYSA-N 0 0 312.308 2.071 20 50 DEGDRN O=C(C=C(C1CC1)C1CC1)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000826398668 607343373 /nfs/dbraw/zinc/34/33/73/607343373.db2.gz BMBWOAKTPPROIX-UHFFFAOYSA-N 0 0 310.361 2.056 20 50 DEGDRN C[C@@H]1CCC[C@H](C(=O)NNc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824929172 607348682 /nfs/dbraw/zinc/34/86/82/607348682.db2.gz WWHSOKRREXNMMG-PWSUYJOCSA-N 0 0 300.366 2.136 20 50 DEGDRN C[C@H](C(=O)NNc1ccc(-c2nn[nH]n2)cc1)c1cccs1 ZINC000824040908 607352192 /nfs/dbraw/zinc/35/21/92/607352192.db2.gz VAFXZHSTAJWJKV-VIFPVBQESA-N 0 0 314.374 2.175 20 50 DEGDRN Cc1cc(C)cc(NNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826264545 607381519 /nfs/dbraw/zinc/38/15/19/607381519.db2.gz RSEHVKYPGOULFT-UHFFFAOYSA-N 0 0 322.372 2.169 20 50 DEGDRN CCOc1cccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825648751 607713704 /nfs/dbraw/zinc/71/37/04/607713704.db2.gz ALLJPBAXWVVTGT-UHFFFAOYSA-N 0 0 324.344 2.022 20 50 DEGDRN Cc1cc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)sc1C ZINC000826260147 607715618 /nfs/dbraw/zinc/71/56/18/607715618.db2.gz YQNSNRVWCQPPEQ-UHFFFAOYSA-N 0 0 314.374 2.302 20 50 DEGDRN O=C(C=Cc1cccc(F)c1)NNc1cccc(-c2nn[nH]n2)c1 ZINC000826401418 607723172 /nfs/dbraw/zinc/72/31/72/607723172.db2.gz XYEUDZXVJGFBRW-BQYQJAHWSA-N 0 0 324.319 2.162 20 50 DEGDRN O=C(NNc1ccccc1)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000826449139 608078749 /nfs/dbraw/zinc/07/87/49/608078749.db2.gz DBOKTUBNWBEYOM-UHFFFAOYSA-N 0 0 313.296 2.154 20 50 DEGDRN C[C@H]1CC(C(=O)NNc2cccc(-c3nn[nH]n3)c2)C[C@H](C)C1 ZINC000824875705 609164118 /nfs/dbraw/zinc/16/41/18/609164118.db2.gz NUVLQEVBLZVINQ-GHMZBOCLSA-N 0 0 314.393 2.382 20 50 DEGDRN C[C@@H]1CCC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000824900313 609469029 /nfs/dbraw/zinc/46/90/29/609469029.db2.gz UTJPOVNOLSQFFP-GHMZBOCLSA-N 0 0 312.377 2.409 20 50 DEGDRN CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cccs1 ZINC000735450618 944658724 /nfs/dbraw/zinc/65/87/24/944658724.db2.gz BFIPQLDNVNBCIA-UHFFFAOYSA-N 0 0 312.358 2.082 20 50 DEGDRN C[C@@H](NC(=O)NNc1ccccc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820373426 945434622 /nfs/dbraw/zinc/43/46/22/945434622.db2.gz HEWWIHNELJAYEK-LLVKDONJSA-N 0 0 323.360 2.254 20 50 DEGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)o1)C(=O)Nc1ccccc1F ZINC000822795770 946177318 /nfs/dbraw/zinc/17/73/18/946177318.db2.gz 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/nfs/dbraw/zinc/72/78/44/607727844.db2.gz RUCGTPZOBZZDHN-UHFFFAOYSA-N 0 0 308.345 2.186 20 50 DEGDRN C[C@H](C(=O)NNc1ccccc1C(=O)[O-])[NH+]1[C@H](C)CC[C@H]1C ZINC000833602052 605721919 /nfs/dbraw/zinc/72/19/19/605721919.db2.gz HMFFUXKCWUMSJT-IJLUTSLNSA-N 0 0 305.378 2.089 20 50 DEGDRN Cc1ccccc1NC(=O)NN=Cc1ccccc1-c1nn[nH]n1 ZINC000826307396 607886355 /nfs/dbraw/zinc/88/63/55/607886355.db2.gz GWCGAGDQAOWRAJ-UHFFFAOYSA-N 0 0 321.344 2.331 20 50 DEGDRN Cc1noc(C)c1C=C(C#N)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826338741 608216918 /nfs/dbraw/zinc/21/69/18/608216918.db2.gz GRPMTNYSBVYRJT-QPEQYQDCSA-N 0 0 320.312 2.261 20 50 DEGDRN CC[C@@H](C)C(=O)C(C#N)=Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC000736319458 944799480 /nfs/dbraw/zinc/79/94/80/944799480.db2.gz KXWDZVLMHHZUBR-CEXMDJMXSA-N 0 0 311.345 2.397 20 50 DEGDRN Cc1cccc(NC(=O)C(C#N)=Cc2ccc(-c3nn[nH]n3)o2)c1 ZINC000822324148 946054486 /nfs/dbraw/zinc/05/44/86/946054486.db2.gz WPTKRYDXEBONQB-FLIBITNWSA-N 0 0 320.312 2.314 20 50 DEGDRN 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CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NNc1ccc(C(=O)[O-])c(F)c1 ZINC001591365125 992366515 /nfs/dbraw/zinc/36/65/15/992366515.db2.gz VTTNFXPYLZZYGL-CQSZACIVSA-N 0 0 323.368 2.087 20 50 DEGDRN CO[C@@]1(C(=O)[O-])CC[N@H+](CCO[Si](C)(C)C(C)(C)C)C1 ZINC001599077754 996916605 /nfs/dbraw/zinc/91/66/05/996916605.db2.gz KXZPKHPFQZWRJW-AWEZNQCLSA-N 0 0 303.475 2.184 20 50 DEGDRN O=C(NNc1cccc(-c2nn[nH]n2)c1)C1CCCCCC1 ZINC000826448216 607336449 /nfs/dbraw/zinc/33/64/49/607336449.db2.gz MKOMZNYBINLMJV-UHFFFAOYSA-N 0 0 300.366 2.280 20 50 DEGDRN C[C@@H]1CC(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)C[C@@H](C)C1 ZINC000824859889 607654619 /nfs/dbraw/zinc/65/46/19/607654619.db2.gz RSLAMKPVOYFZHP-QWRGUYRKSA-N 0 0 312.377 2.409 20 50 DEGDRN CC(C)n1cccc1C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000824371751 608197819 /nfs/dbraw/zinc/19/78/19/608197819.db2.gz QUJWGZWQSWTGRK-UHFFFAOYSA-N 0 0 311.349 2.006 20 50 DEGDRN C[C@H]1C(=NNC(=O)c2cccc(-c3nn[nH]n3)c2)CCC[C@@H]1C ZINC000824919758 609277641 /nfs/dbraw/zinc/27/76/41/609277641.db2.gz 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607717837 /nfs/dbraw/zinc/71/78/37/607717837.db2.gz HPXSEWAXXZUZBU-UHFFFAOYSA-N 0 0 310.361 2.056 20 50 DEGDRN Cc1ccc(C(=O)NNc2cccc(-c3nn[nH]n3)c2)c(C)c1 ZINC000826281664 607718822 /nfs/dbraw/zinc/71/88/22/607718822.db2.gz DOMZOURPJDKPRY-UHFFFAOYSA-N 0 0 308.345 2.240 20 50 DEGDRN N#CC(=Cc1ccccc1-c1nn[nH]n1)C(=O)NC1CCCCC1 ZINC000826379022 607883527 /nfs/dbraw/zinc/88/35/27/607883527.db2.gz HKEPBFNCFQDLNL-JLHYYAGUSA-N 0 0 322.372 2.223 20 50 DEGDRN CCC(CC)[C@@H](C)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825097636 608074383 /nfs/dbraw/zinc/07/43/83/608074383.db2.gz XTXIGTLNMFXXSR-SNVBAGLBSA-N 0 0 302.382 2.382 20 50 DEGDRN CC(C)(C)C(=O)C(C#N)=Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000735586343 944672766 /nfs/dbraw/zinc/67/27/66/944672766.db2.gz LMGXNYXNHPYAIW-WDZFZDKYSA-N 0 0 321.344 2.037 20 50 DEGDRN CN(C(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)o1)c1ccccc1 ZINC000821569835 945719017 /nfs/dbraw/zinc/71/90/17/945719017.db2.gz XMFPDXLVCUYCFQ-PKNBQFBNSA-N 0 0 320.312 2.030 20 50 DEGDRN C[C@H]1C(=NNC(=O)CC[NH+]2CCC(C)CC2)CC[C@H]1CC(=O)[O-] ZINC001343878428 962170584 /nfs/dbraw/zinc/17/05/84/962170584.db2.gz XEWUOILNMDGULN-KGLIPLIRSA-N 0 0 323.437 2.101 20 50 DEGDRN C=C(CBr)C[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001588606339 983697287 /nfs/dbraw/zinc/69/72/87/983697287.db2.gz XPMVCCQZMKJDAW-VIFPVBQESA-N 0 0 316.117 2.277 20 50 DEGDRN CC(C)(C(=O)[O-])[NH+]1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1 ZINC001589616575 987481633 /nfs/dbraw/zinc/48/16/33/987481633.db2.gz IKQPJXFLUZUYIR-VIZOYTHASA-N 0 0 317.364 2.171 20 50 DEGDRN C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NNc2ccc(C(=O)[O-])cc2F)C1 ZINC001598190792 990778956 /nfs/dbraw/zinc/77/89/56/990778956.db2.gz LLYOJJYQXZHPLX-ZYHUDNBSSA-N 0 0 323.368 2.087 20 50 DEGDRN C[N@H+](CCC(=O)NNc1cccc(C(=O)[O-])c1)C1CCCCC1 ZINC001598469832 992007776 /nfs/dbraw/zinc/00/77/76/992007776.db2.gz MOCIONDYWKHUFG-UHFFFAOYSA-N 0 0 319.405 2.483 20 50 DEGDRN CC1CCC(=CC(=O)NNc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000824898291 607337559 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DEGDRN CC(CCc1ccco1)=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000735992346 944733361 /nfs/dbraw/zinc/73/33/61/944733361.db2.gz COHIPHKCEZUOGC-UHFFFAOYSA-N 0 0 324.344 2.198 20 50 DEGDRN Cc1cc(C)cc(C=NNC(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000737254421 945023081 /nfs/dbraw/zinc/02/30/81/945023081.db2.gz XIUMWLZCPNFCQH-UHFFFAOYSA-N 0 0 320.356 2.247 20 50 DEGDRN CC[C@H]1CCC[C@H]1NC(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000820981319 945604467 /nfs/dbraw/zinc/60/44/67/945604467.db2.gz QZEZBENAYJFPNU-GXFFZTMASA-N 0 0 315.381 2.072 20 50 DEGDRN C[C@H](C[NH+]1CCC(C)CC1)C(=O)NN=C1CCC(C(=O)[O-])CC1 ZINC000814762937 955361055 /nfs/dbraw/zinc/36/10/55/955361055.db2.gz OHVRMWZHMGMXAD-KWCCSABGSA-N 0 0 323.437 2.101 20 50 DEGDRN CCC(CC)(C[NH2+]CCCI)C(=O)[O-] ZINC001595080140 979367142 /nfs/dbraw/zinc/36/71/42/979367142.db2.gz FJPUVRWCIRTGID-UHFFFAOYSA-N 0 0 313.179 2.292 20 50 DEGDRN C[NH+](C)[C@@H]1CCC[C@H](C(=O)NNc2ccc(C(=O)[O-])cc2F)C1 ZINC001598190789 990778963 /nfs/dbraw/zinc/77/89/63/990778963.db2.gz 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