smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1NNC(=O)[C@H](Cc1cn(Cc2ccccc2)c[nH+]1)NC(=O)[O-] ZINC000830586682 604000333 /nfs/dbraw/zinc/00/03/33/604000333.db2.gz NRPDRMMDSJPTBV-IBGZPJMESA-N 0 2 393.447 2.562 20 50 GFGDLN CC(C)[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000833621188 605245980 /nfs/dbraw/zinc/24/59/80/605245980.db2.gz IORURHGAQFMBRJ-HSMVNMDESA-N 0 2 383.876 2.615 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccccc1OC1CCC1 ZINC000826445714 608577602 /nfs/dbraw/zinc/57/76/02/608577602.db2.gz GTGGKYWQPGURBH-UHFFFAOYSA-N 0 2 385.815 2.603 20 50 GFGDLN Cc1cc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c(Cl)cc1F ZINC000826259897 608581989 /nfs/dbraw/zinc/58/19/89/608581989.db2.gz LKYGNVUOBFBLIS-UHFFFAOYSA-N 0 2 382.186 2.773 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000826445122 608575214 /nfs/dbraw/zinc/57/52/14/608575214.db2.gz HNSWXWXDGHVGFW-SDDRHHMPSA-N 0 2 375.864 2.965 20 50 GFGDLN Cc1ccc2c(CCC(=O)NNc3cc(-c4nn[nH]n4)cc(Cl)n3)c[nH]c2c1 ZINC000826293589 608578610 /nfs/dbraw/zinc/57/86/10/608578610.db2.gz UXBIOMPTXCYAEC-UHFFFAOYSA-N 0 2 396.842 2.781 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1(Cc2ccccc2)CCC1 ZINC000826445143 608580164 /nfs/dbraw/zinc/58/01/64/608580164.db2.gz IROUPFHUKQSLBF-UHFFFAOYSA-N 0 2 383.843 2.771 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 ZINC000826445516 608580251 /nfs/dbraw/zinc/58/02/51/608580251.db2.gz XPWGNPHUMZTUPZ-VXGBXAGGSA-N 0 2 390.234 2.815 20 50 GFGDLN O=C(C=Cc1ccc2[nH]ccc2c1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826401126 608627596 /nfs/dbraw/zinc/62/75/96/608627596.db2.gz QGCZAGLBADTXTG-DUXPYHPUSA-N 0 2 380.799 2.553 20 50 GFGDLN C[C@@H](Cc1cccc(Cl)c1)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824457477 608575608 /nfs/dbraw/zinc/57/56/08/608575608.db2.gz NPSFBAFATZLJTL-VIFPVBQESA-N 0 2 392.250 2.890 20 50 GFGDLN C[C@H](C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccc(Cl)c1 ZINC000824038962 608578189 /nfs/dbraw/zinc/57/81/89/608578189.db2.gz BJWHTIHYDAYBLG-QMMMGPOBSA-N 0 2 378.223 2.815 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc(Cl)cc(Cl)c1 ZINC000826446016 608578943 /nfs/dbraw/zinc/57/89/43/608578943.db2.gz VLVBPABGABMEPC-UHFFFAOYSA-N 0 2 384.614 2.979 20 50 GFGDLN CC(C)COc1ccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000824270692 608579540 /nfs/dbraw/zinc/57/95/40/608579540.db2.gz DZCOXIMMQYVFLJ-UHFFFAOYSA-N 0 2 387.831 2.707 20 50 GFGDLN C[C@H](c1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000833548903 605711070 /nfs/dbraw/zinc/71/10/70/605711070.db2.gz UHQQCFIGRHSXIA-CQSZACIVSA-N 0 2 384.436 2.927 20 50 GFGDLN CCSc1ccc(CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000825673837 608574141 /nfs/dbraw/zinc/57/41/41/608574141.db2.gz DHKHSDYVYGMGJC-UHFFFAOYSA-N 0 2 389.872 2.713 20 50 GFGDLN O=C(CSc1ccccc1Cl)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826420872 608576563 /nfs/dbraw/zinc/57/65/63/608576563.db2.gz GYUICVYDAHSFSU-UHFFFAOYSA-N 0 2 396.263 2.804 20 50 GFGDLN CC(C)(C)c1ccc(CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000824136775 608579379 /nfs/dbraw/zinc/57/93/79/608579379.db2.gz VOXCOLJTKOEFIK-UHFFFAOYSA-N 0 2 385.859 2.898 20 50 GFGDLN COc1ccc([C@H](C)CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000826188527 608579949 /nfs/dbraw/zinc/57/99/49/608579949.db2.gz ZMJQAGSCHBIXCI-SNVBAGLBSA-N 0 2 387.831 2.561 20 50 GFGDLN COc1ccccc1[C@H](C)CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826219227 608581156 /nfs/dbraw/zinc/58/11/56/608581156.db2.gz WGGUHUWCKYBROH-SNVBAGLBSA-N 0 2 387.831 2.561 20 50 GFGDLN CCc1ccc(C(C)(C)C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000825704224 608581697 /nfs/dbraw/zinc/58/16/97/608581697.db2.gz DQYJITMPSADUGO-UHFFFAOYSA-N 0 2 385.859 2.898 20 50 GFGDLN Cc1cc(Cl)c(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1C ZINC000826267727 609297059 /nfs/dbraw/zinc/29/70/59/609297059.db2.gz SQWWCZLAWRTONT-UHFFFAOYSA-N 0 2 378.223 2.942 20 50 GFGDLN CC(C)c1ccccc1OCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824352859 608574275 /nfs/dbraw/zinc/57/42/75/608574275.db2.gz PZLLFVSRPXQQSD-UHFFFAOYSA-N 0 2 387.831 2.561 20 50 GFGDLN C[C@H](CCc1ccccc1F)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824413844 608575468 /nfs/dbraw/zinc/57/54/68/608575468.db2.gz QSAWAFHHKUCNFF-SNVBAGLBSA-N 0 2 389.822 2.766 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccn1Cc1ccccc1 ZINC000826446056 608578972 /nfs/dbraw/zinc/57/89/72/608578972.db2.gz XYNGZYJVDRQMQI-UHFFFAOYSA-N 0 2 394.826 2.522 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1c(Cl)cccc1Cl ZINC000826445631 608628608 /nfs/dbraw/zinc/62/86/08/608628608.db2.gz CIHJUUPDKFAOCU-UHFFFAOYSA-N 0 2 384.614 2.979 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1(c2ccccc2)CCCC1 ZINC000826445021 608628619 /nfs/dbraw/zinc/62/86/19/608628619.db2.gz DBGKSUIHGQAUOE-UHFFFAOYSA-N 0 2 383.843 2.870 20 50 GFGDLN Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826316046 608576107 /nfs/dbraw/zinc/57/61/07/608576107.db2.gz BKSJUQMDFMHMKO-UWVGGRQHSA-N 0 2 375.845 2.532 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000826445171 608582143 /nfs/dbraw/zinc/58/21/43/608582143.db2.gz JOJQNRLIBFAJME-LIRRHRJNSA-N 0 2 395.854 2.652 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1CCSc2ccccc21 ZINC000826445991 608575412 /nfs/dbraw/zinc/57/54/12/608575412.db2.gz UKTALZLTJOOVKW-LLVKDONJSA-N 0 2 387.856 2.638 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@H]1C[C@H]1c1cccc(Cl)c1 ZINC000826445515 608580304 /nfs/dbraw/zinc/58/03/04/608580304.db2.gz XPWGNPHUMZTUPZ-RYUDHWBXSA-N 0 2 390.234 2.815 20 50 GFGDLN Cn1c(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)ccc1-c1ccccc1 ZINC000826355263 608582005 /nfs/dbraw/zinc/58/20/05/608582005.db2.gz QUGLWUUZUUJHNS-UHFFFAOYSA-N 0 2 394.826 2.678 20 50 GFGDLN CCN(CC)c1ccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000825417806 608571929 /nfs/dbraw/zinc/57/19/29/608571929.db2.gz VKCBSFJLOYSJCL-UHFFFAOYSA-N 0 2 386.847 2.518 20 50 GFGDLN O=C(COc1ccc2ccccc2c1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826417966 608573699 /nfs/dbraw/zinc/57/36/99/608573699.db2.gz MMWZRCWJXKRMCG-UHFFFAOYSA-N 0 2 395.810 2.590 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1c[nH]cc1-c1ccc(F)cc1 ZINC000826446032 608574230 /nfs/dbraw/zinc/57/42/30/608574230.db2.gz WHBVGTXYVYCFSM-UHFFFAOYSA-N 0 2 398.789 2.806 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc(F)c(Cl)cc1F ZINC000826446088 608575500 /nfs/dbraw/zinc/57/55/00/608575500.db2.gz ZFCTZMTTXJLGJT-UHFFFAOYSA-N 0 2 386.149 2.604 20 50 GFGDLN Cc1ccc(OCCCC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000826292492 608575990 /nfs/dbraw/zinc/57/59/90/608575990.db2.gz WUGZZACCXYOPER-UHFFFAOYSA-N 0 2 387.831 2.526 20 50 GFGDLN CC[C@H](C)Oc1ccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000825076551 608581302 /nfs/dbraw/zinc/58/13/02/608581302.db2.gz WNDPJYSEQXOSIQ-JTQLQIEISA-N 0 2 387.831 2.849 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc([C@H]2CCCOC2)cc1 ZINC000826445678 609166713 /nfs/dbraw/zinc/16/67/13/609166713.db2.gz FJWLFZRNCHOZGV-ZDUSSCGKSA-N 0 2 399.842 2.566 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1CCCc2sccc21 ZINC000826445564 608577662 /nfs/dbraw/zinc/57/76/62/608577662.db2.gz ZFJNTHNDDNVNSJ-SNVBAGLBSA-N 0 2 375.845 2.540 20 50 GFGDLN CCc1ccc(C(=O)CCC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000825704902 608579443 /nfs/dbraw/zinc/57/94/43/608579443.db2.gz PNEHEQSHFLNLCY-UHFFFAOYSA-N 0 2 399.842 2.584 20 50 GFGDLN O=C(Cc1ccccc1C(F)(F)F)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826423225 608580143 /nfs/dbraw/zinc/58/01/43/608580143.db2.gz DQOSEPWGCIPDMC-UHFFFAOYSA-N 0 2 397.748 2.620 20 50 GFGDLN CSc1ccc(C)c(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000826230090 608573339 /nfs/dbraw/zinc/57/33/39/608573339.db2.gz DAOQZTZLRFSWCQ-UHFFFAOYSA-N 0 2 375.845 2.702 20 50 GFGDLN COc1ccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c2ccccc12 ZINC000826187574 608573342 /nfs/dbraw/zinc/57/33/42/608573342.db2.gz WUWBTLMJQFNCDG-UHFFFAOYSA-N 0 2 395.810 2.834 20 50 GFGDLN C[C@H](Cc1ccccc1Cl)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824457581 608574374 /nfs/dbraw/zinc/57/43/74/608574374.db2.gz QEZXEJNZUTUXFT-SECBINFHSA-N 0 2 392.250 2.890 20 50 GFGDLN Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826316045 608576007 /nfs/dbraw/zinc/57/60/07/608576007.db2.gz BKSJUQMDFMHMKO-NXEZZACHSA-N 0 2 375.845 2.532 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc(Cl)ccc1Cl ZINC000826445981 608578976 /nfs/dbraw/zinc/57/89/76/608578976.db2.gz UALDOXWRZMNZHT-UHFFFAOYSA-N 0 2 384.614 2.979 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc(F)c(F)cc1Cl ZINC000826445966 608580278 /nfs/dbraw/zinc/58/02/78/608580278.db2.gz SNTFNDUKBMITDU-UHFFFAOYSA-N 0 2 386.149 2.604 20 50 GFGDLN Cc1cc(C)c(C=CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1C ZINC000826263261 608630567 /nfs/dbraw/zinc/63/05/67/608630567.db2.gz SAPZNGCQCIAZRI-PLNGDYQASA-N 0 2 383.843 2.997 20 50 GFGDLN CCSc1cccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000825674898 608574372 /nfs/dbraw/zinc/57/43/72/608574372.db2.gz ULIZOWLLDHPYIV-UHFFFAOYSA-N 0 2 375.845 2.784 20 50 GFGDLN CCCCc1ccc(CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000825296906 608575450 /nfs/dbraw/zinc/57/54/50/608575450.db2.gz ZZOBHLNEMBUQDA-UHFFFAOYSA-N 0 2 385.859 2.944 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccc(OC2CCCC2)c1 ZINC000826445998 608576293 /nfs/dbraw/zinc/57/62/93/608576293.db2.gz UOVMBCCQIDMVHA-UHFFFAOYSA-N 0 2 399.842 2.993 20 50 GFGDLN COc1cccc([C@@H](C)CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000826214461 608578559 /nfs/dbraw/zinc/57/85/59/608578559.db2.gz MMPHHEKXBIMDFI-JTQLQIEISA-N 0 2 387.831 2.561 20 50 GFGDLN Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826316048 608575889 /nfs/dbraw/zinc/57/58/89/608575889.db2.gz BKSJUQMDFMHMKO-ZJUUUORDSA-N 0 2 375.845 2.532 20 50 GFGDLN Cc1oc(-c2ccccc2)nc1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826340002 608575931 /nfs/dbraw/zinc/57/59/31/608575931.db2.gz CSPCSBWTIJSMSB-UHFFFAOYSA-N 0 2 396.798 2.635 20 50 GFGDLN CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825154862 608581516 /nfs/dbraw/zinc/58/15/16/608581516.db2.gz VDGVCKJOZOZSPG-DRZSPHRISA-N 0 2 393.879 2.732 20 50 GFGDLN CC[C@@H](Oc1ccccc1C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825159372 608581533 /nfs/dbraw/zinc/58/15/33/608581533.db2.gz OCQJQXYMTMOCSZ-GFCCVEGCSA-N 0 2 387.831 2.524 20 50 GFGDLN C[C@H](CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccccc1F ZINC000824384740 608571510 /nfs/dbraw/zinc/57/15/10/608571510.db2.gz GSTKFDXDMLCHKI-SECBINFHSA-N 0 2 375.795 2.691 20 50 GFGDLN O=C(Cc1c(Cl)cccc1Cl)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826421332 608572339 /nfs/dbraw/zinc/57/23/39/608572339.db2.gz CSOCLLUOXSKZJF-UHFFFAOYSA-N 0 2 398.641 2.908 20 50 GFGDLN Cc1ccsc1CCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826316575 608576044 /nfs/dbraw/zinc/57/60/44/608576044.db2.gz RXVJOSDYRFLSSY-UHFFFAOYSA-N 0 2 377.861 2.751 20 50 GFGDLN C[C@@H](C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccc(Cl)c1 ZINC000824038960 608578142 /nfs/dbraw/zinc/57/81/42/608578142.db2.gz BJWHTIHYDAYBLG-MRVPVSSYSA-N 0 2 378.223 2.815 20 50 GFGDLN O=C(CCc1ccc(Cl)cc1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826408454 608579904 /nfs/dbraw/zinc/57/99/04/608579904.db2.gz HGNUXDYXUANWJE-UHFFFAOYSA-N 0 2 378.223 2.644 20 50 GFGDLN O=C(CCc1cc(Cl)cs1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826407891 608582079 /nfs/dbraw/zinc/58/20/79/608582079.db2.gz GOXHJEHSVZZJDL-UHFFFAOYSA-N 0 2 384.252 2.706 20 50 GFGDLN CC(C)[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000833621190 605245919 /nfs/dbraw/zinc/24/59/19/605245919.db2.gz IORURHGAQFMBRJ-OZVIIMIRSA-N 0 2 383.876 2.615 20 50 GFGDLN CC(C)[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000833621190 605245922 /nfs/dbraw/zinc/24/59/22/605245922.db2.gz IORURHGAQFMBRJ-OZVIIMIRSA-N 0 2 383.876 2.615 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc2sccc2s1 ZINC000826445805 608577566 /nfs/dbraw/zinc/57/75/66/608577566.db2.gz LCXKXASRTPFXOB-UHFFFAOYSA-N 0 2 377.842 2.948 20 50 GFGDLN O=C(C=Cc1ccc(Cl)s1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826401197 608625399 /nfs/dbraw/zinc/62/53/99/608625399.db2.gz RVWUTYUTTYYVHZ-RQOWECAXSA-N 0 2 382.236 2.787 20 50 GFGDLN Cc1[nH]c2c(cccc2C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1C ZINC000826232997 608577301 /nfs/dbraw/zinc/57/73/01/608577301.db2.gz PZDUBSOHCIMPJS-UHFFFAOYSA-N 0 2 382.815 2.770 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccccc1N1CCCCC1 ZINC000826445906 608630444 /nfs/dbraw/zinc/63/04/44/608630444.db2.gz QFELAJXSGWPLST-UHFFFAOYSA-N 0 2 398.858 2.662 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc2ccccc2cc1O ZINC000826445757 608573730 /nfs/dbraw/zinc/57/37/30/608573730.db2.gz IQTKDXMUMBZMSQ-UHFFFAOYSA-N 0 2 381.783 2.531 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccc(C(F)(F)F)c1 ZINC000826446021 608577659 /nfs/dbraw/zinc/57/76/59/608577659.db2.gz VQAYTMWORJCSFL-UHFFFAOYSA-N 0 2 383.721 2.691 20 50 GFGDLN Cc1cccc(C2(C(=O)NNc3cc(-c4nn[nH]n4)cc(Cl)n3)CCC2)c1 ZINC000826296693 608578526 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GFGDLN C[C@@H](Cc1ccccc1Cl)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824457582 608574198 /nfs/dbraw/zinc/57/41/98/608574198.db2.gz QEZXEJNZUTUXFT-VIFPVBQESA-N 0 2 392.250 2.890 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc2cc(Cl)ccc2[nH]1 ZINC000826446055 608578028 /nfs/dbraw/zinc/57/80/28/608578028.db2.gz XWNKOLMFCOMDSJ-UHFFFAOYSA-N 0 2 389.206 2.807 20 50 GFGDLN CC(C)(C)Oc1ccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000824120002 608578161 /nfs/dbraw/zinc/57/81/61/608578161.db2.gz WQFMKOSWZQKKMZ-UHFFFAOYSA-N 0 2 387.831 2.849 20 50 GFGDLN Cc1nc2ccccc2cc1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826328833 608578695 /nfs/dbraw/zinc/57/86/95/608578695.db2.gz FWORHMRIIKCGOI-UHFFFAOYSA-N 0 2 380.799 2.529 20 50 GFGDLN CCc1cccc2c(CC(=O)NNc3cc(-c4nn[nH]n4)cc(Cl)n3)c[nH]c21 ZINC000825722980 608581369 /nfs/dbraw/zinc/58/13/69/608581369.db2.gz PMACNHBCVDXSGS-UHFFFAOYSA-N 0 2 396.842 2.645 20 50 GFGDLN Cc1ncc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c(Cl)c1Cl ZINC000826329589 608582100 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384.436 2.927 20 50 GFGDLN O=C(C[C@H]1CCCc2ccccc21)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826405059 608572251 /nfs/dbraw/zinc/57/22/51/608572251.db2.gz UUYNBHQFECBRAX-GFCCVEGCSA-N 0 2 383.843 2.868 20 50 GFGDLN C[C@H]1C[C@H]1c1ccc(CCC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)o1 ZINC000824900000 608572807 /nfs/dbraw/zinc/57/28/07/608572807.db2.gz RGKQZRRPYOBHHN-JOYOIKCWSA-N 0 2 387.831 2.707 20 50 GFGDLN C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)o1 ZINC000824900001 608572926 /nfs/dbraw/zinc/57/29/26/608572926.db2.gz RGKQZRRPYOBHHN-SKDRFNHKSA-N 0 2 387.831 2.707 20 50 GFGDLN Cc1ccc(N2CCCC2)c(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000826290574 608582168 /nfs/dbraw/zinc/58/21/68/608582168.db2.gz QQNKBWMAWAWAKR-UHFFFAOYSA-N 0 2 398.858 2.581 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc(-n2cccc2)c(F)c1 ZINC000826445949 608572369 /nfs/dbraw/zinc/57/23/69/608572369.db2.gz SBIBLJKTVUCDMW-UHFFFAOYSA-N 0 2 398.789 2.602 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cc2c(s1)CCCC2 ZINC000826445990 608576327 /nfs/dbraw/zinc/57/63/27/608576327.db2.gz UKHJAVSRTSSWGP-UHFFFAOYSA-N 0 2 375.845 2.612 20 50 GFGDLN CCn1cc(CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c2ccccc21 ZINC000825799054 608579403 /nfs/dbraw/zinc/57/94/03/608579403.db2.gz BCONRNQCLIGPDO-UHFFFAOYSA-N 0 2 396.842 2.576 20 50 GFGDLN CC[C@H](Oc1ccccc1C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825159374 608581138 /nfs/dbraw/zinc/58/11/38/608581138.db2.gz OCQJQXYMTMOCSZ-LBPRGKRZSA-N 0 2 387.831 2.524 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@H]1CCCc2sccc21 ZINC000826445563 608577614 /nfs/dbraw/zinc/57/76/14/608577614.db2.gz ZFJNTHNDDNVNSJ-JTQLQIEISA-N 0 2 375.845 2.540 20 50 GFGDLN COc1cccc([C@H](C)CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000826214462 608578535 /nfs/dbraw/zinc/57/85/35/608578535.db2.gz MMPHHEKXBIMDFI-SNVBAGLBSA-N 0 2 387.831 2.561 20 50 GFGDLN Cc1nc(C(C)C)sc1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826323619 608573772 /nfs/dbraw/zinc/57/37/72/608573772.db2.gz LBQRJRHHAIVRAP-UHFFFAOYSA-N 0 2 378.849 2.560 20 50 GFGDLN O=C(Cc1cc(Cl)ccc1Cl)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826421577 608576323 /nfs/dbraw/zinc/57/63/23/608576323.db2.gz OIBLHNAXDGPEMF-UHFFFAOYSA-N 0 2 398.641 2.908 20 50 GFGDLN C[C@@H](CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc(F)cc1F ZINC000824385741 608578109 /nfs/dbraw/zinc/57/81/09/608578109.db2.gz ZZXJLOYRBQDJSU-QMMMGPOBSA-N 0 2 393.785 2.830 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1(c2ccc(F)cc2)CCC1 ZINC000826445253 608579058 /nfs/dbraw/zinc/57/90/58/608579058.db2.gz MHYPJDICVPMMGW-UHFFFAOYSA-N 0 2 387.806 2.619 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccc(-c2cscn2)c1 ZINC000826445839 608582049 /nfs/dbraw/zinc/58/20/49/608582049.db2.gz NCGIMFMUPJAMRV-UHFFFAOYSA-N 0 2 398.839 2.796 20 50 GFGDLN CCC(=CC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc(OC)cc1 ZINC000825028431 608627254 /nfs/dbraw/zinc/62/72/54/608627254.db2.gz IDEYAFUUXFGUQE-ZHACJKMWSA-N 0 2 399.842 2.860 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccccc1OC(F)(F)F ZINC000826445996 608561232 /nfs/dbraw/zinc/56/12/32/608561232.db2.gz UOBPHUHHGDLJEV-UHFFFAOYSA-N 0 2 399.720 2.571 20 50 GFGDLN CC(C)(C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc(Cl)cc1 ZINC000824065210 608572850 /nfs/dbraw/zinc/57/28/50/608572850.db2.gz WINZFDAJQSXTSJ-UHFFFAOYSA-N 0 2 392.250 2.989 20 50 GFGDLN CC(C)c1cccc(OCC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c1 ZINC000824348050 608572875 /nfs/dbraw/zinc/57/28/75/608572875.db2.gz XWUFYTMKXCMFCY-UHFFFAOYSA-N 0 2 387.831 2.561 20 50 GFGDLN C[C@]1(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CCCc2ccccc21 ZINC000824783643 608572885 /nfs/dbraw/zinc/57/28/85/608572885.db2.gz HRZLAVCRSOIUEY-SFHVURJKSA-N 0 2 383.843 2.652 20 50 GFGDLN Cc1ccc(SCC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c(C)c1 ZINC000826292773 608574858 /nfs/dbraw/zinc/57/48/58/608574858.db2.gz KZDRLDRAJGXOEX-UHFFFAOYSA-N 0 2 389.872 2.767 20 50 GFGDLN CSc1cc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)ccc1F ZINC000826229389 608579866 /nfs/dbraw/zinc/57/98/66/608579866.db2.gz CCKNVRHPYXGRLM-UHFFFAOYSA-N 0 2 379.808 2.533 20 50 GFGDLN O=C(C=Cc1ccc(Cl)cc1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826400143 608627897 /nfs/dbraw/zinc/62/78/97/608627897.db2.gz QIEICYOOCKTOBC-UTCJRWHESA-N 0 2 376.207 2.725 20 50 GFGDLN Cc1cc(C)c(C=CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1C ZINC000826263262 608630426 /nfs/dbraw/zinc/63/04/26/608630426.db2.gz SAPZNGCQCIAZRI-SNAWJCMRSA-N 0 2 383.843 2.997 20 50 GFGDLN O=C(Cc1cccc2ccccc21)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826423297 608577786 /nfs/dbraw/zinc/57/77/86/608577786.db2.gz HZPHHXPKTGXERA-UHFFFAOYSA-N 0 2 379.811 2.754 20 50 GFGDLN COc1ccc([C@@H](C)CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000826188526 608579940 /nfs/dbraw/zinc/57/99/40/608579940.db2.gz ZMJQAGSCHBIXCI-JTQLQIEISA-N 0 2 387.831 2.561 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccc(C(F)(F)F)cc1 ZINC000826446023 608580541 /nfs/dbraw/zinc/58/05/41/608580541.db2.gz VUOQJECYGOIUQB-UHFFFAOYSA-N 0 2 383.721 2.691 20 50 GFGDLN C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)o1 ZINC000824899999 608572787 /nfs/dbraw/zinc/57/27/87/608572787.db2.gz RGKQZRRPYOBHHN-CABZTGNLSA-N 0 2 387.831 2.707 20 50 GFGDLN CC(C)OCc1ccc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cc1 ZINC000824315748 608575566 /nfs/dbraw/zinc/57/55/66/608575566.db2.gz XACUQHPGWXQETF-UHFFFAOYSA-N 0 2 387.831 2.597 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccc(-c2ccoc2)c1 ZINC000826445853 608580489 /nfs/dbraw/zinc/58/04/89/608580489.db2.gz NOJWRBZCJHBPRJ-UHFFFAOYSA-N 0 2 381.783 2.932 20 50 GFGDLN CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825154865 608581287 /nfs/dbraw/zinc/58/12/87/608581287.db2.gz VDGVCKJOZOZSPG-WXHSDQCUSA-N 0 2 393.879 2.732 20 50 GFGDLN Cc1ccc2[nH]cc(CCC(=O)NNc3cc(-c4nn[nH]n4)cc(Cl)n3)c2c1 ZINC000826293370 608582182 /nfs/dbraw/zinc/58/21/82/608582182.db2.gz MRHZPICLUJZUJY-UHFFFAOYSA-N 0 2 396.842 2.781 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccc(Cl)c1Cl ZINC000826445920 608579158 /nfs/dbraw/zinc/57/91/58/608579158.db2.gz QVYWYUZDPKMCBM-UHFFFAOYSA-N 0 2 384.614 2.979 20 50 GFGDLN Cc1nc(CC(C)C)sc1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826325000 608577114 /nfs/dbraw/zinc/57/71/14/608577114.db2.gz LDKFPXDCIHHRHG-UHFFFAOYSA-N 0 2 392.876 2.635 20 50 GFGDLN Cc1ccc(CC(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)c(Cl)c1 ZINC000826286847 608577176 /nfs/dbraw/zinc/57/71/76/608577176.db2.gz SPQBXWWDSIESIC-UHFFFAOYSA-N 0 2 378.223 2.563 20 50 GFGDLN Cc1ccc2[nH]c(C(=O)NNc3cc(-c4nn[nH]n4)cc(Cl)n3)cc2c1C ZINC000826293681 608578665 /nfs/dbraw/zinc/57/86/65/608578665.db2.gz YDQGSRQASHPRGL-UHFFFAOYSA-N 0 2 382.815 2.770 20 50 GFGDLN O=C(C=Cc1ccc2ccccc2n1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826401305 608630643 /nfs/dbraw/zinc/63/06/43/608630643.db2.gz VDWPYNYGQAPYOT-FPLPWBNLSA-N 0 2 392.810 2.620 20 50 GFGDLN O=C(Cc1ccc(Cl)cc1Cl)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826422875 608575129 /nfs/dbraw/zinc/57/51/29/608575129.db2.gz PMTASIACIGXHQA-UHFFFAOYSA-N 0 2 398.641 2.908 20 50 GFGDLN Cc1onc(-c2ccccc2)c1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826343051 608576052 /nfs/dbraw/zinc/57/60/52/608576052.db2.gz KKAQDLKTEQQQFG-UHFFFAOYSA-N 0 2 396.798 2.635 20 50 GFGDLN Cc1ccsc1[C@H]1C[C@H]1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826316047 608576099 /nfs/dbraw/zinc/57/60/99/608576099.db2.gz BKSJUQMDFMHMKO-VHSXEESVSA-N 0 2 375.845 2.532 20 50 GFGDLN O=C(C=Cc1ccccc1Cl)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826402138 608628124 /nfs/dbraw/zinc/62/81/24/608628124.db2.gz NPIHCJDSPVNEKV-AATRIKPKSA-N 0 2 376.207 2.725 20 50 GFGDLN O=C(C=Cc1nc2ccccc2s1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826403288 608630455 /nfs/dbraw/zinc/63/04/55/608630455.db2.gz OFIZLYQJCIFTAB-AATRIKPKSA-N 0 2 398.839 2.681 20 50 GFGDLN C[C@@H]1CCc2sc(C(=O)NNc3cc(-c4nn[nH]n4)cc(Cl)n3)cc2C1 ZINC000824967773 608572991 /nfs/dbraw/zinc/57/29/91/608572991.db2.gz NBAUPHSPTNASHP-MRVPVSSYSA-N 0 2 389.872 2.858 20 50 GFGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cccc([C@H]2CCCOC2)c1 ZINC000826445954 608573873 /nfs/dbraw/zinc/57/38/73/608573873.db2.gz SGUSWNVROATJSM-ZDUSSCGKSA-N 0 2 399.842 2.566 20 50 GFGDLN Cc1c(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cnc2ccccc12 ZINC000826234690 608576061 /nfs/dbraw/zinc/57/60/61/608576061.db2.gz JMGNQQRYTQKDKA-UHFFFAOYSA-N 0 2 380.799 2.529 20 50 GFGDLN O=C(Cc1ccc(C(F)(F)F)cc1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826422702 608577726 /nfs/dbraw/zinc/57/77/26/608577726.db2.gz JBZMNWRXOGERGB-UHFFFAOYSA-N 0 2 397.748 2.620 20 50 GFGDLN