smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc([C@@H]([NH2+]CC(=O)NNC(=O)C(C)C)C(=O)[O-])c1 ZINC001594399604 958833893 /nfs/dbraw/zinc/83/38/93/958833893.db2.gz QSVCFQCVCUHFNE-CYBMUJFWSA-N 0 2 307.350 0.514 20 50 DCGDLN CC(C)(C)C[N@H+](CC(=O)[O-])CC(=O)NNC(=O)C(C)(C)C ZINC001588655659 960410004 /nfs/dbraw/zinc/41/00/04/960410004.db2.gz HQFKJXYYUHWDAG-UHFFFAOYSA-N 0 2 301.387 0.613 20 50 DCGDLN CC(C)(C)C[N@@H+](CC(=O)[O-])CC(=O)NNC(=O)C(C)(C)C ZINC001588655659 960410012 /nfs/dbraw/zinc/41/00/12/960410012.db2.gz HQFKJXYYUHWDAG-UHFFFAOYSA-N 0 2 301.387 0.613 20 50 DCGDLN C=C(CBr)C[N@H+]1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001588605665 983693830 /nfs/dbraw/zinc/69/38/30/983693830.db2.gz MIXSJQRGEHALET-VIFPVBQESA-N 0 2 305.172 0.603 20 50 DCGDLN C=C(CBr)C[N@@H+]1CCC[C@H]1C(=O)NCC(=O)[O-] ZINC001588605665 983693832 /nfs/dbraw/zinc/69/38/32/983693832.db2.gz MIXSJQRGEHALET-VIFPVBQESA-N 0 2 305.172 0.603 20 50 DCGDLN CCC[N@H+](CC(=O)[O-])CC(=O)NNC(=O)c1ccc(C)cc1 ZINC000737825013 978447190 /nfs/dbraw/zinc/44/71/90/978447190.db2.gz IUAPAVHEICHGHB-UHFFFAOYSA-N 0 2 307.350 0.553 20 50 DCGDLN CCC[N@@H+](CC(=O)[O-])CC(=O)NNC(=O)c1ccc(C)cc1 ZINC000737825013 978447193 /nfs/dbraw/zinc/44/71/93/978447193.db2.gz IUAPAVHEICHGHB-UHFFFAOYSA-N 0 2 307.350 0.553 20 50 DCGDLN CC[C@@H](C)[N@H+](CC(=O)[O-])CC(=O)NNC(=O)c1cccc(C)c1 ZINC001594979700 982771783 /nfs/dbraw/zinc/77/17/83/982771783.db2.gz YTPLOHURUHBSME-GFCCVEGCSA-N 0 2 321.377 0.941 20 50 DCGDLN CC[C@@H](C)[N@@H+](CC(=O)[O-])CC(=O)NNC(=O)c1cccc(C)c1 ZINC001594979700 982771793 /nfs/dbraw/zinc/77/17/93/982771793.db2.gz YTPLOHURUHBSME-GFCCVEGCSA-N 0 2 321.377 0.941 20 50 DCGDLN CC(C)C(=O)NNC(=O)C[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001590938268 990960961 /nfs/dbraw/zinc/96/09/61/990960961.db2.gz AUCXIOIBKAIBQF-ZDUSSCGKSA-N 0 2 319.361 0.474 20 50 DCGDLN CC(C)C(=O)NNC(=O)C[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001590938268 990960969 /nfs/dbraw/zinc/96/09/69/990960969.db2.gz AUCXIOIBKAIBQF-ZDUSSCGKSA-N 0 2 319.361 0.474 20 50 DCGDLN CC(C)CC(=O)NNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)[O-] ZINC000824170978 603570689 /nfs/dbraw/zinc/57/06/89/603570689.db2.gz VWWKEGGXHMGPAR-MNOVXSKESA-N 0 2 314.386 0.300 20 50 DCGDLN CC(C)CC(=O)NNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)[O-] ZINC000824170978 603570692 /nfs/dbraw/zinc/57/06/92/603570692.db2.gz VWWKEGGXHMGPAR-MNOVXSKESA-N 0 2 314.386 0.300 20 50 DCGDLN CC(C)CC(=O)NNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)[O-] ZINC000824170973 603571108 /nfs/dbraw/zinc/57/11/08/603571108.db2.gz VWWKEGGXHMGPAR-GHMZBOCLSA-N 0 2 314.386 0.300 20 50 DCGDLN CC(C)CC(=O)NNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)[O-] ZINC000824170973 603571112 /nfs/dbraw/zinc/57/11/12/603571112.db2.gz VWWKEGGXHMGPAR-GHMZBOCLSA-N 0 2 314.386 0.300 20 50 DCGDLN Cc1cc(NNC(=O)CN(C[C@H]2CCCO2)C(=O)[O-])nc(C)[nH+]1 ZINC000830121675 603639351 /nfs/dbraw/zinc/63/93/51/603639351.db2.gz GYVDWCOVELJIAO-LLVKDONJSA-N 0 2 323.353 0.696 20 50 DCGDLN COCCN(CC(=O)NNc1cc[nH+]cc1Cl)C(=O)[O-] ZINC000828976721 603804949 /nfs/dbraw/zinc/80/49/49/603804949.db2.gz QVPXIHQZDFFSDI-UHFFFAOYSA-N 0 2 302.718 0.226 20 50 DCGDLN CC[N@H+]([C@@H](C)C(=O)NNC(=O)CC(C)C)C1CN(C(=O)[O-])C1 ZINC000833856818 606094823 /nfs/dbraw/zinc/09/48/23/606094823.db2.gz VMRHVUBGYFHDMF-JTQLQIEISA-N 0 2 314.386 0.253 20 50 DCGDLN CC[N@@H+]([C@@H](C)C(=O)NNC(=O)CC(C)C)C1CN(C(=O)[O-])C1 ZINC000833856818 606094828 /nfs/dbraw/zinc/09/48/28/606094828.db2.gz VMRHVUBGYFHDMF-JTQLQIEISA-N 0 2 314.386 0.253 20 50 DCGDLN Cn1nccc1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826366574 608574647 /nfs/dbraw/zinc/57/46/47/608574647.db2.gz OLPVRKUWPQBNJC-UHFFFAOYSA-N 0 2 319.716 0.406 20 50 DCGDLN CC[C@]([NH2+]CC(=O)NNC(=O)C1CC1)(C(=O)[O-])c1ccccc1 ZINC000736917882 978366418 /nfs/dbraw/zinc/36/64/18/978366418.db2.gz PKKYVQHEMSHXEP-MRXNPFEDSA-N 0 2 319.361 0.524 20 50 DCGDLN O=C(NNc1ccc(-c2nn[nH]n2)cc1)c1ccc2[nH]nnc2c1 ZINC000826446965 607342430 /nfs/dbraw/zinc/34/24/30/607342430.db2.gz HKPYUDWZPWVONF-UHFFFAOYSA-N 0 2 321.304 0.895 20 50 DCGDLN CC[C@@H](OC)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825154612 608574314 /nfs/dbraw/zinc/57/43/14/608574314.db2.gz RGYIMOJYGOXGQD-SSDOTTSWSA-N 0 2 311.733 0.783 20 50 DCGDLN CC[C@H](C(=O)[O-])[N@H+](C)CC(=O)NNC(=O)c1cccc(C)c1 ZINC001589440798 954709178 /nfs/dbraw/zinc/70/91/78/954709178.db2.gz MBZZFAOGSHBDNW-GFCCVEGCSA-N 0 2 307.350 0.551 20 50 DCGDLN CC[C@H](C(=O)[O-])[N@@H+](C)CC(=O)NNC(=O)c1cccc(C)c1 ZINC001589440798 954709194 /nfs/dbraw/zinc/70/91/94/954709194.db2.gz MBZZFAOGSHBDNW-GFCCVEGCSA-N 0 2 307.350 0.551 20 50 DCGDLN CC[C@H](C(=O)[O-])[N@H+](C)CC(=O)NNC(=O)c1cccc(C#N)c1 ZINC001589441297 954721889 /nfs/dbraw/zinc/72/18/89/954721889.db2.gz YDXKIPUAVZDYLE-GFCCVEGCSA-N 0 2 318.333 0.114 20 50 DCGDLN CC[C@H](C(=O)[O-])[N@@H+](C)CC(=O)NNC(=O)c1cccc(C#N)c1 ZINC001589441297 954721895 /nfs/dbraw/zinc/72/18/95/954721895.db2.gz YDXKIPUAVZDYLE-GFCCVEGCSA-N 0 2 318.333 0.114 20 50 DCGDLN CC[N@H+](CC(=O)NNC(=O)Cc1ccccc1C)[C@H](C)C(=O)[O-] ZINC001603724174 974158845 /nfs/dbraw/zinc/15/88/45/974158845.db2.gz MLKXHENTVOXIPS-GFCCVEGCSA-N 0 2 321.377 0.480 20 50 DCGDLN CC[N@@H+](CC(=O)NNC(=O)Cc1ccccc1C)[C@H](C)C(=O)[O-] ZINC001603724174 974158847 /nfs/dbraw/zinc/15/88/47/974158847.db2.gz MLKXHENTVOXIPS-GFCCVEGCSA-N 0 2 321.377 0.480 20 50 DCGDLN CSCC[C@@H](NC(=O)[O-])C(=O)NNc1cc[nH+]cc1Cl ZINC000829731454 603804879 /nfs/dbraw/zinc/80/48/79/603804879.db2.gz RAAGHSUDXVHRCK-SECBINFHSA-N 0 2 318.786 0.989 20 50 DCGDLN CC(C)CC(=O)NNC(=O)[C@@H](C)[N@@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000833472881 605848042 /nfs/dbraw/zinc/84/80/42/605848042.db2.gz GBXWPKDENWMQKZ-VXGBXAGGSA-N 0 2 313.398 0.898 20 50 DCGDLN CC(C)CC(=O)NNC(=O)[C@@H](C)[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000833472881 605848044 /nfs/dbraw/zinc/84/80/44/605848044.db2.gz GBXWPKDENWMQKZ-VXGBXAGGSA-N 0 2 313.398 0.898 20 50 DCGDLN O=C(COCC1CC1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826416749 608573903 /nfs/dbraw/zinc/57/39/03/608573903.db2.gz NDYDOZVUGHVVRR-UHFFFAOYSA-N 0 2 323.744 0.785 20 50 DCGDLN Cc1ocnc1C(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000737556490 945095627 /nfs/dbraw/zinc/09/56/27/945095627.db2.gz KDGZEFDAKSYEHA-UHFFFAOYSA-N 0 2 313.277 0.238 20 50 DCGDLN O=C(C=CC[NH+]1CCOCC1)NN=c1[nH]cccc1C(=O)[O-] ZINC001594668789 956603187 /nfs/dbraw/zinc/60/31/87/956603187.db2.gz WWBJOXDQEBSHQT-DUXPYHPUSA-N 0 2 306.322 0.111 20 50 DCGDLN CCC(=O)NNC(=O)[C@@H](C)[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001328436758 961205906 /nfs/dbraw/zinc/20/59/06/961205906.db2.gz LZFYGXOZZWFSRP-MFKMUULPSA-N 0 2 319.361 0.616 20 50 DCGDLN CCC(=O)NNC(=O)[C@@H](C)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001328436758 961205924 /nfs/dbraw/zinc/20/59/24/961205924.db2.gz LZFYGXOZZWFSRP-MFKMUULPSA-N 0 2 319.361 0.616 20 50 DCGDLN O=C([O-])N[C@H](CC(F)F)C(=O)NNc1cc[nH+]cc1Cl ZINC000834134389 605319046 /nfs/dbraw/zinc/31/90/46/605319046.db2.gz IYSMCPCCHNIOAT-SSDOTTSWSA-N 0 2 308.672 0.891 20 50 DCGDLN O=C(Cc1cc[nH]n1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826423878 608572476 /nfs/dbraw/zinc/57/24/76/608572476.db2.gz LBVDYIHRDRBLLQ-UHFFFAOYSA-N 0 2 319.716 0.324 20 50 DCGDLN CCC1(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)COC1 ZINC000825164910 608573243 /nfs/dbraw/zinc/57/32/43/608573243.db2.gz MIRWMEKLVHBSKZ-UHFFFAOYSA-N 0 2 323.744 0.785 20 50 DCGDLN CC(C)[N@H+](CC(=O)[O-])CC(=O)NNC(=O)c1ccc(F)cc1 ZINC001609817160 970542569 /nfs/dbraw/zinc/54/25/69/970542569.db2.gz JOVGMLVYXPYDCY-UHFFFAOYSA-N 0 2 311.313 0.382 20 50 DCGDLN CC(C)[N@@H+](CC(=O)[O-])CC(=O)NNC(=O)c1ccc(F)cc1 ZINC001609817160 970542574 /nfs/dbraw/zinc/54/25/74/970542574.db2.gz JOVGMLVYXPYDCY-UHFFFAOYSA-N 0 2 311.313 0.382 20 50 DCGDLN CC(C)CC(=O)NNC(=O)[C@H](C)[N@@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000833472879 605847861 /nfs/dbraw/zinc/84/78/61/605847861.db2.gz GBXWPKDENWMQKZ-NWDGAFQWSA-N 0 2 313.398 0.898 20 50 DCGDLN CC(C)CC(=O)NNC(=O)[C@H](C)[N@H+]1CCCCC[C@@H]1C(=O)[O-] ZINC000833472879 605847863 /nfs/dbraw/zinc/84/78/63/605847863.db2.gz GBXWPKDENWMQKZ-NWDGAFQWSA-N 0 2 313.398 0.898 20 50 DCGDLN O=C([O-])NCCCC(=O)NNC(=O)c1cccc2[nH+]ccn21 ZINC000834229944 605981039 /nfs/dbraw/zinc/98/10/39/605981039.db2.gz LEGOTHDLNFGVFZ-UHFFFAOYSA-N 0 2 305.294 0.143 20 50 DCGDLN C=CCCOCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000823899153 608578232 /nfs/dbraw/zinc/57/82/32/608578232.db2.gz NSSYWAYEKTWLHZ-UHFFFAOYSA-N 0 2 323.744 0.951 20 50 DCGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@H]1CCOC1 ZINC000826445249 608580285 /nfs/dbraw/zinc/58/02/85/608580285.db2.gz MBDYECVCMUXLOM-LURJTMIESA-N 0 2 309.717 0.395 20 50 DCGDLN O=C(NNC(=O)c1ccccn1)c1cc(-c2nn[nH]n2)cs1 ZINC000823277037 946393709 /nfs/dbraw/zinc/39/37/09/946393709.db2.gz CODSNAJPHQNBDX-UHFFFAOYSA-N 0 2 315.318 0.398 20 50 DCGDLN CC(C)(C)C(=O)NNC(=O)C[NH2+][C@H](C(=O)[O-])c1ccccc1 ZINC000819901445 955460582 /nfs/dbraw/zinc/46/05/82/955460582.db2.gz DZSKOLVIXSXZSF-LBPRGKRZSA-N 0 2 307.350 0.595 20 50 DCGDLN CN(C)[C@@H](C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1c[nH+]cn1C ZINC001598162600 990661295 /nfs/dbraw/zinc/66/12/95/990661295.db2.gz HVHIKUNMVLWJDX-GFCCVEGCSA-N 0 2 318.337 0.259 20 50 DCGDLN CN(C)[C@H](C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)c1c[nH+]cn1C ZINC001598162610 990661545 /nfs/dbraw/zinc/66/15/45/990661545.db2.gz HVHIKUNMVLWJDX-LBPRGKRZSA-N 0 2 318.337 0.259 20 50 DCGDLN O=C(NNc1ncc(F)cn1)c1cc(-c2nn[nH]n2)cs1 ZINC000826450081 608037849 /nfs/dbraw/zinc/03/78/49/608037849.db2.gz WLYNQXCXYLHRKE-UHFFFAOYSA-N 0 2 306.286 0.614 20 50 DCGDLN C[C@H]1OCC[C@@H]1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825014519 608168518 /nfs/dbraw/zinc/16/85/18/608168518.db2.gz WTOMGYKVMXCCJN-SVRRBLITSA-N 0 2 323.744 0.783 20 50 DCGDLN C[C@@H]1OCC[C@@H]1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825014520 608168603 /nfs/dbraw/zinc/16/86/03/608168603.db2.gz WTOMGYKVMXCCJN-XPUUQOCRSA-N 0 2 323.744 0.783 20 50 DCGDLN Cc1ccccc1CC(=O)NNC(=O)C[N@@H+](CC(=O)[O-])C(C)C ZINC001605355754 973265028 /nfs/dbraw/zinc/26/50/28/973265028.db2.gz NDPDYKPWYNPDRN-UHFFFAOYSA-N 0 2 321.377 0.480 20 50 DCGDLN Cc1ccccc1CC(=O)NNC(=O)C[N@H+](CC(=O)[O-])C(C)C ZINC001605355754 973265035 /nfs/dbraw/zinc/26/50/35/973265035.db2.gz NDPDYKPWYNPDRN-UHFFFAOYSA-N 0 2 321.377 0.480 20 50 DCGDLN CC1(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)COC1 ZINC000824784539 946931986 /nfs/dbraw/zinc/93/19/86/946931986.db2.gz WBGNBERZQIYWHV-UHFFFAOYSA-N 0 2 309.717 0.395 20 50 DCGDLN CCOCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825589782 947247604 /nfs/dbraw/zinc/24/76/04/947247604.db2.gz JCUPXRBKYHUZIP-UHFFFAOYSA-N 0 2 311.733 0.785 20 50 DCGDLN O=C([O-])NCCC(=O)NN=Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000834227387 605749324 /nfs/dbraw/zinc/74/93/24/605749324.db2.gz RJEBHPOEXJUVNF-UHFFFAOYSA-N 0 2 301.306 0.980 20 50 DCGDLN CCC[N@H+](C)CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736472816 944830336 /nfs/dbraw/zinc/83/03/36/944830336.db2.gz SWIGWVMHAYRYFT-UHFFFAOYSA-N 0 2 322.373 0.763 20 50 DCGDLN CCC[N@@H+](C)CC(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1 ZINC000736472816 944830340 /nfs/dbraw/zinc/83/03/40/944830340.db2.gz SWIGWVMHAYRYFT-UHFFFAOYSA-N 0 2 322.373 0.763 20 50 DCGDLN Cc1ccc(C(=O)NNC(=O)c2cc(-c3nn[nH]n3)cs2)o1 ZINC000822226541 946008868 /nfs/dbraw/zinc/00/88/68/946008868.db2.gz XUIXUESHNBUKPW-UHFFFAOYSA-N 0 2 318.318 0.904 20 50 DCGDLN CC(C)[N@H+](CC(=O)[O-])CC(=O)NNC(=O)c1cccc(C#N)c1 ZINC000820014882 955463910 /nfs/dbraw/zinc/46/39/10/955463910.db2.gz HPEOAOGTGWRPNF-UHFFFAOYSA-N 0 2 318.333 0.114 20 50 DCGDLN CC(C)[N@@H+](CC(=O)[O-])CC(=O)NNC(=O)c1cccc(C#N)c1 ZINC000820014882 955463916 /nfs/dbraw/zinc/46/39/16/955463916.db2.gz HPEOAOGTGWRPNF-UHFFFAOYSA-N 0 2 318.333 0.114 20 50 DCGDLN Nc1cn[nH+]c(NNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1Cl ZINC001594666590 956582606 /nfs/dbraw/zinc/58/26/06/956582606.db2.gz RRERJDFYUQWKDN-RITPCOANSA-N 0 2 314.733 0.592 20 50 DCGDLN CCC[N@H+](CC(=O)[O-])CC(=O)NNC(=O)c1ccc(C#N)cc1 ZINC001595855230 982783638 /nfs/dbraw/zinc/78/36/38/982783638.db2.gz IZCPBNVEOLXYCT-UHFFFAOYSA-N 0 2 318.333 0.116 20 50 DCGDLN CCC[N@@H+](CC(=O)[O-])CC(=O)NNC(=O)c1ccc(C#N)cc1 ZINC001595855230 982783645 /nfs/dbraw/zinc/78/36/45/982783645.db2.gz IZCPBNVEOLXYCT-UHFFFAOYSA-N 0 2 318.333 0.116 20 50 DCGDLN N#Cc1cccc(NNC(=O)C[NH+]2CCC(NC(=O)[O-])CC2)c1 ZINC000833977169 605716781 /nfs/dbraw/zinc/71/67/81/605716781.db2.gz VZSLCUBCAMFXRT-UHFFFAOYSA-N 0 2 317.349 0.733 20 50 DCGDLN O=C([O-])NCCC(=O)NN=C1CCN(c2cccc[nH+]2)CC1 ZINC000834227287 605749060 /nfs/dbraw/zinc/74/90/60/605749060.db2.gz BJPIXNJUTUNFJI-UHFFFAOYSA-N 0 2 305.338 0.812 20 50 DCGDLN C[C@@H]1OCC[C@H]1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825014517 608168636 /nfs/dbraw/zinc/16/86/36/608168636.db2.gz WTOMGYKVMXCCJN-POYBYMJQSA-N 0 2 323.744 0.783 20 50 DCGDLN Cc1cccc(C(=O)NNC(=O)C[N@@H+]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC001600512077 970819900 /nfs/dbraw/zinc/81/99/00/970819900.db2.gz TYXMDTFCSXQYTN-INIZCTEOSA-N 0 2 319.361 0.695 20 50 DCGDLN Cc1cccc(C(=O)NNC(=O)C[N@H+]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC001600512077 970819907 /nfs/dbraw/zinc/81/99/07/970819907.db2.gz TYXMDTFCSXQYTN-INIZCTEOSA-N 0 2 319.361 0.695 20 50 DCGDLN Cc1cccc(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)n1 ZINC000737384173 945053943 /nfs/dbraw/zinc/05/39/43/945053943.db2.gz IAHLQCXHPPBPRP-UHFFFAOYSA-N 0 2 323.316 0.645 20 50 DCGDLN O=C([O-])CC[C@@H]1C[C@@H](C(=O)NNc2cc[nH+]cc2Cl)CO1 ZINC001606111707 973322340 /nfs/dbraw/zinc/32/23/40/973322340.db2.gz MVERRVAEFYNJEP-RKDXNWHRSA-N 0 2 313.741 0.870 20 50 DCGDLN Cc1ccc(C(=O)NNC(=O)C[N@@H+]2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC000863533646 979673582 /nfs/dbraw/zinc/67/35/82/979673582.db2.gz VASOBJBCSFPYNF-INIZCTEOSA-N 0 2 319.361 0.695 20 50 DCGDLN Cc1ccc(C(=O)NNC(=O)C[N@H+]2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC000863533646 979673587 /nfs/dbraw/zinc/67/35/87/979673587.db2.gz VASOBJBCSFPYNF-INIZCTEOSA-N 0 2 319.361 0.695 20 50 DCGDLN C[C@@]1(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CCCO1 ZINC000824782889 608573001 /nfs/dbraw/zinc/57/30/01/608573001.db2.gz AAWDEQHBDKAZTR-LBPRGKRZSA-N 0 2 323.744 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O=C([O-])[C@@H]1C[N@H+](CC(=O)NNC(=O)C2CC2)Cc2ccccc21 ZINC001118568554 957175885 /nfs/dbraw/zinc/17/58/85/957175885.db2.gz CPFWYCKYOGJDJO-CYBMUJFWSA-N 0 2 317.345 0.228 20 50 DCGDLN O=C([O-])[C@@H]1C[N@@H+](CC(=O)NNC(=O)C2CC2)Cc2ccccc21 ZINC001118568554 957175891 /nfs/dbraw/zinc/17/58/91/957175891.db2.gz CPFWYCKYOGJDJO-CYBMUJFWSA-N 0 2 317.345 0.228 20 50 DCGDLN CC(C)[C@H](CNC(=O)NNc1[nH+]ncc(N)c1Cl)C(=O)[O-] ZINC001588825660 961671799 /nfs/dbraw/zinc/67/17/99/961671799.db2.gz ZTWXAQVXXVPTSP-LURJTMIESA-N 0 2 316.749 0.695 20 50 DCGDLN CCCOCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825338553 608578594 /nfs/dbraw/zinc/57/85/94/608578594.db2.gz CKSMMGQYZWRTRX-UHFFFAOYSA-N 0 2 311.733 0.785 20 50 DCGDLN Cc1ccc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)s2)o1 ZINC000822226160 946001503 /nfs/dbraw/zinc/00/15/03/946001503.db2.gz FLEURLMVYWPPIS-UHFFFAOYSA-N 0 2 318.318 0.904 20 50 DCGDLN CCC(=O)NNC(=O)[C@H](C)[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001328436754 961206297 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O=C([O-])CC[C@H]1C[C@@H](C(=O)NNc2cc[nH+]cc2Cl)CO1 ZINC001606111704 973323264 /nfs/dbraw/zinc/32/32/64/973323264.db2.gz MVERRVAEFYNJEP-BDAKNGLRSA-N 0 2 313.741 0.870 20 50 DCGDLN CC(C)C(=O)NNC(=O)C[N@@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001590939522 990976007 /nfs/dbraw/zinc/97/60/07/990976007.db2.gz YFQHOWKALRUUNW-UHFFFAOYSA-N 0 2 319.361 0.546 20 50 DCGDLN CC(C)C(=O)NNC(=O)C[N@H+]1CCc2cccc(C(=O)[O-])c2C1 ZINC001590939522 990976017 /nfs/dbraw/zinc/97/60/17/990976017.db2.gz YFQHOWKALRUUNW-UHFFFAOYSA-N 0 2 319.361 0.546 20 50 DCGDLN O=C(NNc1ncc(F)cn1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826450025 608023010 /nfs/dbraw/zinc/02/30/10/608023010.db2.gz UDURGBDUPGTFQK-UHFFFAOYSA-N 0 2 315.272 0.944 20 50 DCGDLN Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNc1ncc(F)cn1 ZINC000826249684 608038187 /nfs/dbraw/zinc/03/81/87/608038187.db2.gz ONCSMCGVIKUXFO-UHFFFAOYSA-N 0 2 314.284 0.861 20 50 DCGDLN Cc1ocnc1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000737557295 945096758 /nfs/dbraw/zinc/09/67/58/945096758.db2.gz RCLONLTWBVZHTG-UHFFFAOYSA-N 0 2 313.277 0.238 20 50 DCGDLN C[C@@H]1C[N@H+](CC(=O)NNC(=O)C(C)(C)C)CC[C@@H]1NC(=O)[O-] ZINC000826049916 603565384 /nfs/dbraw/zinc/56/53/84/603565384.db2.gz PFQSCQQORBJIRG-ZJUUUORDSA-N 0 2 314.386 0.158 20 50 DCGDLN C[C@@H]1C[N@@H+](CC(=O)NNC(=O)C(C)(C)C)CC[C@@H]1NC(=O)[O-] ZINC000826049916 603565385 /nfs/dbraw/zinc/56/53/85/603565385.db2.gz PFQSCQQORBJIRG-ZJUUUORDSA-N 0 2 314.386 0.158 20 50 DCGDLN Cc1cc(C)[nH]c(=NNC(=O)C[NH+]2CCC(NC(=O)[O-])CC2)n1 ZINC000830025849 605602488 /nfs/dbraw/zinc/60/24/88/605602488.db2.gz QXTZYNGNMYJWGJ-UHFFFAOYSA-N 0 2 322.369 0.269 20 50 DCGDLN C[C@H]1CC[C@@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)O1 ZINC000824898405 608578059 /nfs/dbraw/zinc/57/80/59/608578059.db2.gz FIPYXYBKSXREOW-XPUUQOCRSA-N 0 2 323.744 0.926 20 50 DCGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1CC(=O)C1 ZINC000826478478 608626699 /nfs/dbraw/zinc/62/66/99/608626699.db2.gz CEQNVIGKJKTVBO-UHFFFAOYSA-N 0 2 307.701 0.337 20 50 DCGDLN CC[C@H](C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)[NH+](C)C ZINC000820841750 945567180 /nfs/dbraw/zinc/56/71/80/945567180.db2.gz DBXUJCGWFLIRFE-MRVPVSSYSA-N 0 2 322.373 0.761 20 50 DCGDLN Cc1cc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)s2)[nH]n1 ZINC000822177133 945971248 /nfs/dbraw/zinc/97/12/48/945971248.db2.gz UTHYQSMKIIHMJX-UHFFFAOYSA-N 0 2 318.322 0.035 20 50 DCGDLN Cc1cc(-c2nn[nH]n2)ccc1C(=O)NNC(=O)c1ccccn1 ZINC000826249629 607644308 /nfs/dbraw/zinc/64/43/08/607644308.db2.gz LXCCSGICGQBDPG-UHFFFAOYSA-N 0 2 323.316 0.645 20 50 DCGDLN O=C(C[C@H]1CCOC1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826404626 608572382 /nfs/dbraw/zinc/57/23/82/608572382.db2.gz HGQBPKXBFFVPFP-SSDOTTSWSA-N 0 2 323.744 0.785 20 50 DCGDLN O=C(Cn1cc[nH+]c1)NN=c1cc(-c2nnn[n-]2)cc(Cl)[nH]1 ZINC000826424595 608628498 /nfs/dbraw/zinc/62/84/98/608628498.db2.gz TYYIVZQFFLNOJY-UHFFFAOYSA-N 0 2 319.716 0.255 20 50 DCGDLN Cc1ccc(C(=O)NNC(=O)c2sccc2-c2nn[nH]n2)o1 ZINC000822226406 946004697 /nfs/dbraw/zinc/00/46/97/946004697.db2.gz QYEGVYSGCMJYOZ-UHFFFAOYSA-N 0 2 318.318 0.904 20 50 DCGDLN CC(C)(C)[C@@H](C(=O)[O-])C(=O)NNc1[nH+]ncc(N)c1Cl ZINC001261645868 969689866 /nfs/dbraw/zinc/68/98/66/969689866.db2.gz QQHORGFKTUUTFD-ZCFIWIBFSA-N 0 2 301.734 0.902 20 50 DCGDLN CC[C@@]([NH2+]CC(=O)NNC(=O)C1CC1)(C(=O)[O-])c1ccccc1 ZINC000736917879 978366665 /nfs/dbraw/zinc/36/66/65/978366665.db2.gz PKKYVQHEMSHXEP-INIZCTEOSA-N 0 2 319.361 0.524 20 50 DCGDLN CC(C)CC(=O)NNC(=O)[C@H](C)[N@@H+]1C2CCC1(C(=O)[O-])CC2 ZINC001591111304 991768275 /nfs/dbraw/zinc/76/82/75/991768275.db2.gz JVKZFTUPQFEECM-NLTNOIMHSA-N 0 2 311.382 0.650 20 50 DCGDLN CC(C)CC(=O)NNC(=O)[C@H](C)[N@H+]1C2CCC1(C(=O)[O-])CC2 ZINC001591111304 991768285 /nfs/dbraw/zinc/76/82/85/991768285.db2.gz JVKZFTUPQFEECM-NLTNOIMHSA-N 0 2 311.382 0.650 20 50 DCGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1=COCC1 ZINC000826445449 608628703 /nfs/dbraw/zinc/62/87/03/608628703.db2.gz VBDCWDPCLLROSB-UHFFFAOYSA-N 0 2 307.701 0.662 20 50 DCGDLN Cc1ccc(C(=O)NNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)o1 ZINC000822226524 946004749 /nfs/dbraw/zinc/00/47/49/946004749.db2.gz WPQVTLHOQHNCFY-UHFFFAOYSA-N 0 2 301.266 0.171 20 50 DCGDLN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1CC(=O)NNC(=O)c1ccccc1 ZINC000844837245 955680867 /nfs/dbraw/zinc/68/08/67/955680867.db2.gz XCPGTLVKCNNWFW-ZYHUDNBSSA-N 0 2 305.334 0.385 20 50 DCGDLN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CC(=O)NNC(=O)c1ccccc1 ZINC000844837245 955680873 /nfs/dbraw/zinc/68/08/73/955680873.db2.gz XCPGTLVKCNNWFW-ZYHUDNBSSA-N 0 2 305.334 0.385 20 50 DCGDLN Cc1cccc(C(=O)NNC(=O)C[N@H+](CC(=O)[O-])C2CCC2)c1 ZINC001594388548 958696533 /nfs/dbraw/zinc/69/65/33/958696533.db2.gz ZRBJUMDCKOYELO-UHFFFAOYSA-N 0 2 319.361 0.695 20 50 DCGDLN Cc1cccc(C(=O)NNC(=O)C[N@@H+](CC(=O)[O-])C2CCC2)c1 ZINC001594388548 958696538 /nfs/dbraw/zinc/69/65/38/958696538.db2.gz ZRBJUMDCKOYELO-UHFFFAOYSA-N 0 2 319.361 0.695 20 50 DCGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@H]1CCCOC1 ZINC000826445053 608572458 /nfs/dbraw/zinc/57/24/58/608572458.db2.gz FDCMCZFMVXNXDT-ZETCQYMHSA-N 0 2 323.744 0.785 20 50 DCGDLN CCO[C@H]1C[C@@H]1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825583223 608575935 /nfs/dbraw/zinc/57/59/35/608575935.db2.gz SFRMIUOZMQMKGO-YUMQZZPRSA-N 0 2 323.744 0.783 20 50 DCGDLN N#CCSCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826382247 608627923 /nfs/dbraw/zinc/62/79/23/608627923.db2.gz VKTPOFSBBOBRGA-UHFFFAOYSA-N 0 2 324.757 0.615 20 50 DCGDLN CC(C)CC(=O)NNC(=O)[C@H](C)[NH2+][C@H](C(=O)[O-])c1ccccc1 ZINC000819967486 955463810 /nfs/dbraw/zinc/46/38/10/955463810.db2.gz YBULWCWANOEKAR-FZMZJTMJSA-N 0 2 321.377 0.984 20 50 DCGDLN O=C([O-])c1ccc[nH]c1=NNC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001606528440 974032277 /nfs/dbraw/zinc/03/22/77/974032277.db2.gz HHFPUTZXSUIITH-VIFPVBQESA-N 0 2 301.306 0.682 20 50 DCGDLN CCC[N@H+](CC(=O)[O-])CC(=O)NNC(=O)c1cccc(C#N)c1 ZINC001603666599 974036037 /nfs/dbraw/zinc/03/60/37/974036037.db2.gz HVVOBGDHRJNQPI-UHFFFAOYSA-N 0 2 318.333 0.116 20 50 DCGDLN CCC[N@@H+](CC(=O)[O-])CC(=O)NNC(=O)c1cccc(C#N)c1 ZINC001603666599 974036046 /nfs/dbraw/zinc/03/60/46/974036046.db2.gz HVVOBGDHRJNQPI-UHFFFAOYSA-N 0 2 318.333 0.116 20 50 DCGDLN CC(C)CC(=O)NNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000824170124 603838412 /nfs/dbraw/zinc/83/84/12/603838412.db2.gz FSNPBCIVDJQRLR-GHMZBOCLSA-N 0 2 314.386 0.253 20 50 DCGDLN CC(C)CC(=O)NNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000824170124 603838416 /nfs/dbraw/zinc/83/84/16/603838416.db2.gz FSNPBCIVDJQRLR-GHMZBOCLSA-N 0 2 314.386 0.253 20 50 DCGDLN Cn1cc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)cn1 ZINC000826358825 608573809 /nfs/dbraw/zinc/57/38/09/608573809.db2.gz KGVIBHQUURCPKU-UHFFFAOYSA-N 0 2 319.716 0.406 20 50 DCGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cn[nH]c1 ZINC000826446067 608579078 /nfs/dbraw/zinc/57/90/78/608579078.db2.gz YHQGGTBCOIZSDN-UHFFFAOYSA-N 0 2 305.689 0.395 20 50 DCGDLN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1CC(=O)NNC(=O)c1ccc(F)cc1 ZINC001594219090 959354219 /nfs/dbraw/zinc/35/42/19/959354219.db2.gz BAHLVRZYBLOCDK-BXKDBHETSA-N 0 2 323.324 0.524 20 50 DCGDLN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CC(=O)NNC(=O)c1ccc(F)cc1 ZINC001594219090 959354234 /nfs/dbraw/zinc/35/42/34/959354234.db2.gz BAHLVRZYBLOCDK-BXKDBHETSA-N 0 2 323.324 0.524 20 50 DCGDLN C[C@@]1(C(=O)[O-])CCC[N@@H+]1CC(=O)NNC(=O)c1ccccc1 ZINC000315606619 963919283 /nfs/dbraw/zinc/91/92/83/963919283.db2.gz NPPSQLFLRRFTEZ-HNNXBMFYSA-N 0 2 305.334 0.387 20 50 DCGDLN C[C@@]1(C(=O)[O-])CCC[N@H+]1CC(=O)NNC(=O)c1ccccc1 ZINC000315606619 963919287 /nfs/dbraw/zinc/91/92/87/963919287.db2.gz NPPSQLFLRRFTEZ-HNNXBMFYSA-N 0 2 305.334 0.387 20 50 DCGDLN O=C([O-])NCCC(=O)NNC(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000834229085 605844325 /nfs/dbraw/zinc/84/43/25/605844325.db2.gz UZNZLIPYVLUBFQ-UHFFFAOYSA-N 0 2 317.305 0.291 20 50 DCGDLN CC[N@H+]([C@H](C)C(=O)NNC(=O)CC(C)C)C1CN(C(=O)[O-])C1 ZINC000833856819 606094172 /nfs/dbraw/zinc/09/41/72/606094172.db2.gz VMRHVUBGYFHDMF-SNVBAGLBSA-N 0 2 314.386 0.253 20 50 DCGDLN CC[N@@H+]([C@H](C)C(=O)NNC(=O)CC(C)C)C1CN(C(=O)[O-])C1 ZINC000833856819 606094174 /nfs/dbraw/zinc/09/41/74/606094174.db2.gz VMRHVUBGYFHDMF-SNVBAGLBSA-N 0 2 314.386 0.253 20 50 DCGDLN O=C(NNc1ncc(F)cn1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000826449887 608023145 /nfs/dbraw/zinc/02/31/45/608023145.db2.gz NPMMGXNEINISMO-UHFFFAOYSA-N 0 2 315.272 0.944 20 50 DCGDLN C[C@]([NH2+]CC(=O)NNC(=O)C1CC1)(C(=O)[O-])c1ccccc1 ZINC001589121924 956131503 /nfs/dbraw/zinc/13/15/03/956131503.db2.gz AJEWHKCTPCDKFS-OAHLLOKOSA-N 0 2 305.334 0.133 20 50 DCGDLN CN(C(=O)[O-])[C@H]1CC[N@H+](CC(=O)NNC(=O)c2ccccc2)C1 ZINC000827883127 603839195 /nfs/dbraw/zinc/83/91/95/603839195.db2.gz WQGCVJDEEJNXMB-LBPRGKRZSA-N 0 2 320.349 0.132 20 50 DCGDLN CN(C(=O)[O-])[C@H]1CC[N@@H+](CC(=O)NNC(=O)c2ccccc2)C1 ZINC000827883127 603839202 /nfs/dbraw/zinc/83/92/02/603839202.db2.gz WQGCVJDEEJNXMB-LBPRGKRZSA-N 0 2 320.349 0.132 20 50 DCGDLN CCC(=O)NNC(=O)[C@H](C)[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001328436756 961206575 /nfs/dbraw/zinc/20/65/75/961206575.db2.gz LZFYGXOZZWFSRP-GXFFZTMASA-N 0 2 319.361 0.616 20 50 DCGDLN CCC(=O)NNC(=O)[C@H](C)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001328436756 961206592 /nfs/dbraw/zinc/20/65/92/961206592.db2.gz LZFYGXOZZWFSRP-GXFFZTMASA-N 0 2 319.361 0.616 20 50 DCGDLN CC(C)C[N@H+](CC(=O)[O-])CC(=O)NNC(=O)c1ccccc1 ZINC000316419303 964011654 /nfs/dbraw/zinc/01/16/54/964011654.db2.gz PBXHFIGJLZQFLN-UHFFFAOYSA-N 0 2 307.350 0.490 20 50 DCGDLN CC(C)C[N@@H+](CC(=O)[O-])CC(=O)NNC(=O)c1ccccc1 ZINC000316419303 964011665 /nfs/dbraw/zinc/01/16/65/964011665.db2.gz PBXHFIGJLZQFLN-UHFFFAOYSA-N 0 2 307.350 0.490 20 50 DCGDLN CC(C)(C)C(=O)NNC(=O)C[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000826134880 601887654 /nfs/dbraw/zinc/88/76/54/601887654.db2.gz GNENBYXILBYHAI-SECBINFHSA-N 0 2 317.411 0.072 20 50 DCGDLN CC(C)(C)C(=O)NNC(=O)C[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000826134880 601887656 /nfs/dbraw/zinc/88/76/56/601887656.db2.gz GNENBYXILBYHAI-SECBINFHSA-N 0 2 317.411 0.072 20 50 DCGDLN CC(C)(C)C(=O)NNC(=O)C[NH2+][C@](C)(C(=O)[O-])c1ccccc1 ZINC001602846827 971680673 /nfs/dbraw/zinc/68/06/73/971680673.db2.gz AOHCVYLHCIAWSO-INIZCTEOSA-N 0 2 321.377 0.770 20 50 DCGDLN CC[N@H+](CC(=O)NNC(=O)Cc1ccccc1C)[C@@H](C)C(=O)[O-] ZINC001603724175 974158926 /nfs/dbraw/zinc/15/89/26/974158926.db2.gz MLKXHENTVOXIPS-LBPRGKRZSA-N 0 2 321.377 0.480 20 50 DCGDLN CC[N@@H+](CC(=O)NNC(=O)Cc1ccccc1C)[C@@H](C)C(=O)[O-] ZINC001603724175 974158928 /nfs/dbraw/zinc/15/89/28/974158928.db2.gz MLKXHENTVOXIPS-LBPRGKRZSA-N 0 2 321.377 0.480 20 50 DCGDLN CC(=CC(=O)NN=c1ccc(C(=O)[O-])c[nH]1)C[NH+]1CCOCC1 ZINC001588942300 984634923 /nfs/dbraw/zinc/63/49/23/984634923.db2.gz GKEXYMOBRNNTKG-FLIBITNWSA-N 0 2 320.349 0.501 20 50 DCGDLN CN(C[C@@H]1CCC[N@@H+]1CC(=O)NNC(=O)C(C)(C)C)C(=O)[O-] ZINC000828224422 603582757 /nfs/dbraw/zinc/58/27/57/603582757.db2.gz XHOCPMKOPJLCRC-JTQLQIEISA-N 0 2 314.386 0.254 20 50 DCGDLN CN(C[C@@H]1CCC[N@H+]1CC(=O)NNC(=O)C(C)(C)C)C(=O)[O-] ZINC000828224422 603582758 /nfs/dbraw/zinc/58/27/58/603582758.db2.gz XHOCPMKOPJLCRC-JTQLQIEISA-N 0 2 314.386 0.254 20 50 DCGDLN Cc1ccc(C(=O)NNC(=O)NC2CC[NH+](CC(=O)[O-])CC2)o1 ZINC001594346938 958323914 /nfs/dbraw/zinc/32/39/14/958323914.db2.gz OLZJYZCPRQIDJQ-UHFFFAOYSA-N 0 2 324.337 0.081 20 50 DCGDLN O=C(C[C@@H]1CCOC1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826404627 608572324 /nfs/dbraw/zinc/57/23/24/608572324.db2.gz HGQBPKXBFFVPFP-ZETCQYMHSA-N 0 2 323.744 0.785 20 50 DCGDLN C[C@]1(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)CCCO1 ZINC000824782883 608572909 /nfs/dbraw/zinc/57/29/09/608572909.db2.gz AAWDEQHBDKAZTR-GFCCVEGCSA-N 0 2 323.744 0.927 20 50 DCGDLN O=C([O-])c1ccc[nH]c1=NNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001595261459 949670723 /nfs/dbraw/zinc/67/07/23/949670723.db2.gz BDCVWIWLURQHGH-SECBINFHSA-N 0 2 301.306 0.682 20 50 DCGDLN O=C([O-])C[N@@H+](CC(=O)NNC(=O)c1ccccc1)CC1CC1 ZINC000315769538 950855070 /nfs/dbraw/zinc/85/50/70/950855070.db2.gz STNYYGWRJXPUCN-UHFFFAOYSA-N 0 2 305.334 0.244 20 50 DCGDLN O=C([O-])C[N@H+](CC(=O)NNC(=O)c1ccccc1)CC1CC1 ZINC000315769538 950855090 /nfs/dbraw/zinc/85/50/90/950855090.db2.gz STNYYGWRJXPUCN-UHFFFAOYSA-N 0 2 305.334 0.244 20 50 DCGDLN O=C([O-])Nc1cnc(C(=O)NNc2cc[nH+]cc2Cl)cn1 ZINC000834277202 606069920 /nfs/dbraw/zinc/06/99/20/606069920.db2.gz JSPWGJFGNIAVGV-UHFFFAOYSA-N 0 2 308.685 0.794 20 50 DCGDLN CC[C@H](C(=O)[O-])[N@H+](C)CC(=O)NNC(=O)c1ccc(C)cc1 ZINC000844838931 955679946 /nfs/dbraw/zinc/67/99/46/955679946.db2.gz RWDDFBIZJHZVTB-GFCCVEGCSA-N 0 2 307.350 0.551 20 50 DCGDLN CC[C@H](C(=O)[O-])[N@@H+](C)CC(=O)NNC(=O)c1ccc(C)cc1 ZINC000844838931 955679952 /nfs/dbraw/zinc/67/99/52/955679952.db2.gz RWDDFBIZJHZVTB-GFCCVEGCSA-N 0 2 307.350 0.551 20 50 DCGDLN CC(C)C(=O)NNC(=O)C[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001590938267 990961163 /nfs/dbraw/zinc/96/11/63/990961163.db2.gz AUCXIOIBKAIBQF-CYBMUJFWSA-N 0 2 319.361 0.474 20 50 DCGDLN CC(C)C(=O)NNC(=O)C[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001590938267 990961171 /nfs/dbraw/zinc/96/11/71/990961171.db2.gz AUCXIOIBKAIBQF-CYBMUJFWSA-N 0 2 319.361 0.474 20 50 DCGDLN O=C(C[C@@H]1CCCO1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826404653 608574718 /nfs/dbraw/zinc/57/47/18/608574718.db2.gz HWQONSFWVHVJMQ-QMMMGPOBSA-N 0 2 323.744 0.927 20 50 DCGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1csnn1 ZINC000826445994 608628627 /nfs/dbraw/zinc/62/86/27/608628627.db2.gz UMRUETAWHZMILD-UHFFFAOYSA-N 0 2 323.729 0.524 20 50 DCGDLN CC[C@@H](C(=O)NNc1oc(C(C)C)nc1-c1nn[n-]n1)[NH+](C)C ZINC000820841752 945567911 /nfs/dbraw/zinc/56/79/11/945567911.db2.gz DBXUJCGWFLIRFE-QMMMGPOBSA-N 0 2 322.373 0.761 20 50 DCGDLN O=C([O-])C[N@H+](CC(=O)NNC(=O)c1ccc(F)cc1)C1CCC1 ZINC001595069357 951584545 /nfs/dbraw/zinc/58/45/45/951584545.db2.gz NIRYXDUMVLDQFX-UHFFFAOYSA-N 0 2 323.324 0.526 20 50 DCGDLN O=C([O-])C[N@@H+](CC(=O)NNC(=O)c1ccc(F)cc1)C1CCC1 ZINC001595069357 951584552 /nfs/dbraw/zinc/58/45/52/951584552.db2.gz NIRYXDUMVLDQFX-UHFFFAOYSA-N 0 2 323.324 0.526 20 50 DCGDLN O=C([O-])c1ccc[nH]c1=NNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001606528597 974036170 /nfs/dbraw/zinc/03/61/70/974036170.db2.gz MZDSQGSEHAJXKK-VIFPVBQESA-N 0 2 301.306 0.682 20 50 DCGDLN C[C@H]1C[N@H+](CC(=O)NNC(=O)C(C)(C)C)CC[C@@H]1NC(=O)[O-] ZINC000826049914 603564742 /nfs/dbraw/zinc/56/47/42/603564742.db2.gz PFQSCQQORBJIRG-UWVGGRQHSA-N 0 2 314.386 0.158 20 50 DCGDLN C[C@H]1C[N@@H+](CC(=O)NNC(=O)C(C)(C)C)CC[C@@H]1NC(=O)[O-] ZINC000826049914 603564745 /nfs/dbraw/zinc/56/47/45/603564745.db2.gz PFQSCQQORBJIRG-UWVGGRQHSA-N 0 2 314.386 0.158 20 50 DCGDLN CSCC[C@H](NC(=O)[O-])C(=O)NNc1cc[nH+]cc1Cl ZINC000829731458 603805103 /nfs/dbraw/zinc/80/51/03/603805103.db2.gz RAAGHSUDXVHRCK-VIFPVBQESA-N 0 2 318.786 0.989 20 50 DCGDLN O=C([O-])NC[C@H]1CCC[N@@H+]1CC(=O)NNC(=O)c1ccccc1 ZINC000834219016 605341714 /nfs/dbraw/zinc/34/17/14/605341714.db2.gz FIMYHQSIGPPRSI-GFCCVEGCSA-N 0 2 320.349 0.180 20 50 DCGDLN O=C([O-])NC[C@H]1CCC[N@H+]1CC(=O)NNC(=O)c1ccccc1 ZINC000834219016 605341721 /nfs/dbraw/zinc/34/17/21/605341721.db2.gz FIMYHQSIGPPRSI-GFCCVEGCSA-N 0 2 320.349 0.180 20 50 DCGDLN CCO[C@@H]1C[C@@H]1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825583221 608575971 /nfs/dbraw/zinc/57/59/71/608575971.db2.gz SFRMIUOZMQMKGO-JGVFFNPUSA-N 0 2 323.744 0.783 20 50 DCGDLN C[C@@H](C(=O)NN=c1[nH]cccc1C(=O)[O-])[NH+]1CCSCC1 ZINC001602793123 971553066 /nfs/dbraw/zinc/55/30/66/971553066.db2.gz QMVHTRYLRPSSNX-VIFPVBQESA-N 0 2 310.379 0.660 20 50 DCGDLN Nc1cn[nH+]c(NNC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)c1Cl ZINC001594666816 956583761 /nfs/dbraw/zinc/58/37/61/956583761.db2.gz YQECIPUAWDXSFX-URHBZAFASA-N 0 2 300.706 0.202 20 50 DCGDLN O=C([O-])c1ccc[nH]c1=NNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001606528596 974035165 /nfs/dbraw/zinc/03/51/65/974035165.db2.gz MZDSQGSEHAJXKK-SECBINFHSA-N 0 2 301.306 0.682 20 50 DCGDLN Cc1ccc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)o1 ZINC000826281856 607748899 /nfs/dbraw/zinc/74/88/99/607748899.db2.gz MOGPGEAMDYKQJX-UHFFFAOYSA-N 0 2 301.266 0.171 20 50 DCGDLN COCC[N@H+](CCCI)CC(=O)[O-] ZINC000820730138 955476516 /nfs/dbraw/zinc/47/65/16/955476516.db2.gz KNOFLQXXQJPLQA-UHFFFAOYSA-N 0 2 301.124 0.845 20 50 DCGDLN COCC[N@@H+](CCCI)CC(=O)[O-] ZINC000820730138 955476531 /nfs/dbraw/zinc/47/65/31/955476531.db2.gz KNOFLQXXQJPLQA-UHFFFAOYSA-N 0 2 301.124 0.845 20 50 DCGDLN C[C@@]([NH2+]CC(=O)NNC(=O)C1CC1)(C(=O)[O-])c1ccccc1 ZINC001589121923 956130830 /nfs/dbraw/zinc/13/08/30/956130830.db2.gz AJEWHKCTPCDKFS-HNNXBMFYSA-N 0 2 305.334 0.133 20 50 DCGDLN C[C@H]1COCC[N@@H+]1CCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833632666 605744438 /nfs/dbraw/zinc/74/44/38/605744438.db2.gz ZVTBEGVHWQPNNI-NSHDSACASA-N 0 2 322.365 0.732 20 50 DCGDLN C[C@H]1COCC[N@H+]1CCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833632666 605744444 /nfs/dbraw/zinc/74/44/44/605744444.db2.gz ZVTBEGVHWQPNNI-NSHDSACASA-N 0 2 322.365 0.732 20 50 DCGDLN Cc1ccc(C(=O)NNC(=O)c2ccc(-c3nn[nH]n3)nc2)o1 ZINC000822226205 946006045 /nfs/dbraw/zinc/00/60/45/946006045.db2.gz HTNJIROYQZHHNX-UHFFFAOYSA-N 0 2 313.277 0.238 20 50 DCGDLN O=C([O-])CC[C@@H]1C[C@H](C(=O)NNc2cc[nH+]cc2Cl)CO1 ZINC001606111705 973322809 /nfs/dbraw/zinc/32/28/09/973322809.db2.gz MVERRVAEFYNJEP-DTWKUNHWSA-N 0 2 313.741 0.870 20 50 DCGDLN CC(C)CC(=O)NNC(=O)[C@@H](C)[N@@H+]1C2CCC1(C(=O)[O-])CC2 ZINC001591111305 991768339 /nfs/dbraw/zinc/76/83/39/991768339.db2.gz JVKZFTUPQFEECM-RWWNRMGGSA-N 0 2 311.382 0.650 20 50 DCGDLN CC(C)CC(=O)NNC(=O)[C@@H](C)[N@H+]1C2CCC1(C(=O)[O-])CC2 ZINC001591111305 991768348 /nfs/dbraw/zinc/76/83/48/991768348.db2.gz JVKZFTUPQFEECM-RWWNRMGGSA-N 0 2 311.382 0.650 20 50 DCGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cnns1 ZINC000826445845 608572211 /nfs/dbraw/zinc/57/22/11/608572211.db2.gz NGPUSEIBHQYXOK-UHFFFAOYSA-N 0 2 323.729 0.524 20 50 DCGDLN O=C(Cc1ccon1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826423808 608628539 /nfs/dbraw/zinc/62/85/39/608628539.db2.gz HSWRAMOOXTYRNB-UHFFFAOYSA-N 0 2 320.700 0.589 20 50 DCGDLN CC(C)(C#N)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824059098 946573274 /nfs/dbraw/zinc/57/32/74/946573274.db2.gz MITQTWKMZPGGMT-UHFFFAOYSA-N 0 2 306.717 0.908 20 50 DCGDLN O=C([O-])N[C@@H](CC(F)F)C(=O)NNc1cc[nH+]cc1Cl ZINC000834134390 605319328 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Cc1ccc(C(=O)NNC(=O)C[N@@H+](CC(=O)[O-])CC(C)C)cc1 ZINC000738260817 978509022 /nfs/dbraw/zinc/50/90/22/978509022.db2.gz WYUBOXFKSRSJBU-UHFFFAOYSA-N 0 2 321.377 0.799 20 50 DCGDLN Cc1ccc(C(=O)NNC(=O)C[N@H+](CC(=O)[O-])CC(C)C)cc1 ZINC000738260817 978509026 /nfs/dbraw/zinc/50/90/26/978509026.db2.gz WYUBOXFKSRSJBU-UHFFFAOYSA-N 0 2 321.377 0.799 20 50 DCGDLN CCC(=O)NNC(=O)[C@@H](C)[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC001594712604 987177869 /nfs/dbraw/zinc/17/78/69/987177869.db2.gz ULWMEFLBCOVRLG-SNVBAGLBSA-N 0 2 319.361 0.689 20 50 DCGDLN CCC(=O)NNC(=O)[C@@H](C)[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC001594712604 987177872 /nfs/dbraw/zinc/17/78/72/987177872.db2.gz ULWMEFLBCOVRLG-SNVBAGLBSA-N 0 2 319.361 0.689 20 50 DCGDLN CN(C(=O)[O-])[C@H]1CCC[N@H+](CC(=O)NNC(=O)C(C)(C)C)C1 ZINC000827822111 603557208 /nfs/dbraw/zinc/55/72/08/603557208.db2.gz GQTKTGPAPWFWRR-JTQLQIEISA-N 0 2 314.386 0.254 20 50 DCGDLN CN(C(=O)[O-])[C@H]1CCC[N@@H+](CC(=O)NNC(=O)C(C)(C)C)C1 ZINC000827822111 603557209 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319.361 0.616 20 50 DCGDLN CC[C@H](CNC(=O)NNc1[nH+]ncc(N)c1Cl)C(=O)[O-] ZINC001589538304 955178659 /nfs/dbraw/zinc/17/86/59/955178659.db2.gz HJUFXJYFWOJJPY-RXMQYKEDSA-N 0 2 302.722 0.449 20 50 DCGDLN Cc1ccc(C(=O)NNC(=O)C[N@@H+]2CCC[C@]2(C)C(=O)[O-])cc1 ZINC000863533647 969310380 /nfs/dbraw/zinc/31/03/80/969310380.db2.gz VASOBJBCSFPYNF-MRXNPFEDSA-N 0 2 319.361 0.695 20 50 DCGDLN Cc1ccc(C(=O)NNC(=O)C[N@H+]2CCC[C@]2(C)C(=O)[O-])cc1 ZINC000863533647 969310385 /nfs/dbraw/zinc/31/03/85/969310385.db2.gz VASOBJBCSFPYNF-MRXNPFEDSA-N 0 2 319.361 0.695 20 50 DCGDLN O=C(Cc1cccc(-c2nn[nH]n2)c1)NNc1ncc(F)cn1 ZINC000826423359 608038214 /nfs/dbraw/zinc/03/82/14/608038214.db2.gz LEGNNSVFUKHBHM-UHFFFAOYSA-N 0 2 314.284 0.482 20 50 DCGDLN CCO[C@H]1C[C@H]1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825583222 608575938 /nfs/dbraw/zinc/57/59/38/608575938.db2.gz SFRMIUOZMQMKGO-SFYZADRCSA-N 0 2 323.744 0.783 20 50 DCGDLN Cc1ccc(C(=O)NNC(=O)c2cc(-c3nn[nH]n3)cn2C)o1 ZINC000822226061 946003265 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CC(C)CC(=O)NNC(=O)[C@@H](C)[N@@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000833472878 605847579 /nfs/dbraw/zinc/84/75/79/605847579.db2.gz GBXWPKDENWMQKZ-NEPJUHHUSA-N 0 2 313.398 0.898 20 50 DCGDLN CC(C)CC(=O)NNC(=O)[C@@H](C)[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000833472878 605847584 /nfs/dbraw/zinc/84/75/84/605847584.db2.gz GBXWPKDENWMQKZ-NEPJUHHUSA-N 0 2 313.398 0.898 20 50 DCGDLN C=CCOCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000823925950 608574384 /nfs/dbraw/zinc/57/43/84/608574384.db2.gz SAEQJBHOYYWOER-UHFFFAOYSA-N 0 2 309.717 0.561 20 50 DCGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1(O)CCCC1 ZINC000826445373 608576357 /nfs/dbraw/zinc/57/63/57/608576357.db2.gz RGKMQXRKVNIEEE-UHFFFAOYSA-N 0 2 323.744 0.663 20 50 DCGDLN O=C(Cc1cccc(-c2nn[nH]n2)c1)NNC(=O)c1ccccn1 ZINC000823103844 946309659 /nfs/dbraw/zinc/30/96/59/946309659.db2.gz MMEQOHHRLMJJDI-UHFFFAOYSA-N 0 2 323.316 0.265 20 50 DCGDLN Cc1ccc(C(=O)NNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])cc1 ZINC000844837224 955680484 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20 50 DCGDLN CC(C)CC(=O)NNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)[O-] ZINC000824170980 603570811 /nfs/dbraw/zinc/57/08/11/603570811.db2.gz VWWKEGGXHMGPAR-WDEREUQCSA-N 0 2 314.386 0.300 20 50 DCGDLN O=C([O-])NCCNC(=O)NN=Cc1cc(-n2cc[nH+]c2)cs1 ZINC000834243377 606080831 /nfs/dbraw/zinc/08/08/31/606080831.db2.gz LZGOWBJVQCBXRT-UHFFFAOYSA-N 0 2 322.350 0.835 20 50 DCGDLN C[C@]1(C(=O)[O-])CCC[N@@H+]1CC(=O)NNC(=O)c1ccccc1 ZINC000315606620 950848690 /nfs/dbraw/zinc/84/86/90/950848690.db2.gz NPPSQLFLRRFTEZ-OAHLLOKOSA-N 0 2 305.334 0.387 20 50 DCGDLN C[C@]1(C(=O)[O-])CCC[N@H+]1CC(=O)NNC(=O)c1ccccc1 ZINC000315606620 950848703 /nfs/dbraw/zinc/84/87/03/950848703.db2.gz NPPSQLFLRRFTEZ-OAHLLOKOSA-N 0 2 305.334 0.387 20 50 DCGDLN O=C([O-])c1ccc[nH]c1=NNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001606528439 974032319 /nfs/dbraw/zinc/03/23/19/974032319.db2.gz HHFPUTZXSUIITH-SECBINFHSA-N 0 2 301.306 0.682 20 50 DCGDLN CCC(=O)NNC(=O)[C@H](C)[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC001594712603 987178068 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314.386 0.253 20 50 DCGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1CCCOC1 ZINC000826445052 608572598 /nfs/dbraw/zinc/57/25/98/608572598.db2.gz FDCMCZFMVXNXDT-SSDOTTSWSA-N 0 2 323.744 0.785 20 50 DCGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1CCCCO1 ZINC000826445200 608577650 /nfs/dbraw/zinc/57/76/50/608577650.db2.gz KMCVHKINTCVKMU-QMMMGPOBSA-N 0 2 323.744 0.927 20 50 DCGDLN C[C@@H]1CC[C@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)O1 ZINC000824898398 608578107 /nfs/dbraw/zinc/57/81/07/608578107.db2.gz FIPYXYBKSXREOW-HTRCEHHLSA-N 0 2 323.744 0.926 20 50 DCGDLN CC[C@@H](C(=O)[O-])[N@H+](C)CC(=O)NNC(=O)c1cccc(C)c1 ZINC001589440799 954709748 /nfs/dbraw/zinc/70/97/48/954709748.db2.gz MBZZFAOGSHBDNW-LBPRGKRZSA-N 0 2 307.350 0.551 20 50 DCGDLN CC[C@@H](C(=O)[O-])[N@@H+](C)CC(=O)NNC(=O)c1cccc(C)c1 ZINC001589440799 954709763 /nfs/dbraw/zinc/70/97/63/954709763.db2.gz MBZZFAOGSHBDNW-LBPRGKRZSA-N 0 2 307.350 0.551 20 50 DCGDLN O=C([O-])C[N@H+](CC(=O)NNC(=O)c1ccccc1)C1CCCC1 ZINC000319711175 970564280 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C=C(CBr)C[N@H+]1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001588605664 983694006 /nfs/dbraw/zinc/69/40/06/983694006.db2.gz MIXSJQRGEHALET-SECBINFHSA-N 0 2 305.172 0.603 20 50 DCGDLN C=C(CBr)C[N@@H+]1CCC[C@@H]1C(=O)NCC(=O)[O-] ZINC001588605664 983694008 /nfs/dbraw/zinc/69/40/08/983694008.db2.gz MIXSJQRGEHALET-SECBINFHSA-N 0 2 305.172 0.603 20 50 DCGDLN CC(C)C(=O)NNC(=O)C[N@H+](CCc1ccccc1)CC(=O)[O-] ZINC001590939890 990976697 /nfs/dbraw/zinc/97/66/97/990976697.db2.gz BZRQWMJIMNBIGI-UHFFFAOYSA-N 0 2 321.377 0.419 20 50 DCGDLN CC(C)C(=O)NNC(=O)C[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC001590939890 990976708 /nfs/dbraw/zinc/97/67/08/990976708.db2.gz BZRQWMJIMNBIGI-UHFFFAOYSA-N 0 2 321.377 0.419 20 50 DCGDLN C[C@@H]1COCC[N@@H+]1CCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833632664 605744818 /nfs/dbraw/zinc/74/48/18/605744818.db2.gz ZVTBEGVHWQPNNI-LLVKDONJSA-N 0 2 322.365 0.732 20 50 DCGDLN C[C@@H]1COCC[N@H+]1CCNC(=O)NNc1cccc(C(=O)[O-])c1 ZINC000833632664 605744820 /nfs/dbraw/zinc/74/48/20/605744820.db2.gz ZVTBEGVHWQPNNI-LLVKDONJSA-N 0 2 322.365 0.732 20 50 DCGDLN O=C(CC(F)(F)F)NNC(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000822935711 946222289 /nfs/dbraw/zinc/22/22/89/946222289.db2.gz MKYJQLXQFQDVNI-UHFFFAOYSA-N 0 2 320.256 0.642 20 50 DCGDLN CC(C)(C)C(=O)NNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[O-] ZINC000823754039 603550771 /nfs/dbraw/zinc/55/07/71/603550771.db2.gz BPWQPLLEAVSNRE-SNVBAGLBSA-N 0 2 314.386 0.302 20 50 DCGDLN CC(C)(C)C(=O)NNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[O-] ZINC000823754039 603550776 /nfs/dbraw/zinc/55/07/76/603550776.db2.gz BPWQPLLEAVSNRE-SNVBAGLBSA-N 0 2 314.386 0.302 20 50 DCGDLN O=C(Cc1ccc(-c2nn[nH]n2)cc1)NNc1ncc(F)cn1 ZINC000826421977 608038441 /nfs/dbraw/zinc/03/84/41/608038441.db2.gz IETHVTHYRPOJPP-UHFFFAOYSA-N 0 2 314.284 0.482 20 50 DCGDLN CC[C@@H](C(=O)[O-])[N@H+](C)CC(=O)NNC(=O)c1ccc(C)cc1 ZINC000844838932 955680071 /nfs/dbraw/zinc/68/00/71/955680071.db2.gz RWDDFBIZJHZVTB-LBPRGKRZSA-N 0 2 307.350 0.551 20 50 DCGDLN CC[C@@H](C(=O)[O-])[N@@H+](C)CC(=O)NNC(=O)c1ccc(C)cc1 ZINC000844838932 955680079 /nfs/dbraw/zinc/68/00/79/955680079.db2.gz RWDDFBIZJHZVTB-LBPRGKRZSA-N 0 2 307.350 0.551 20 50 DCGDLN Nc1cn[nH+]c(NNC(=O)[C@]2(C(=O)[O-])CC=CCC2)c1Cl ZINC001346333071 958066697 /nfs/dbraw/zinc/06/66/97/958066697.db2.gz ONZMVTSSXZYTKL-LBPRGKRZSA-N 0 2 311.729 0.966 20 50 DCGDLN C[N@H+](CC(=O)NNC(=O)C1CC1)Cc1ccc(C(=O)[O-])cc1 ZINC000737393658 978404683 /nfs/dbraw/zinc/40/46/83/978404683.db2.gz RPSNJUSPPXMTTN-UHFFFAOYSA-N 0 2 305.334 0.374 20 50 DCGDLN C[N@@H+](CC(=O)NNC(=O)C1CC1)Cc1ccc(C(=O)[O-])cc1 ZINC000737393658 978404685 /nfs/dbraw/zinc/40/46/85/978404685.db2.gz RPSNJUSPPXMTTN-UHFFFAOYSA-N 0 2 305.334 0.374 20 50 DCGDLN CC(C)(C)C(=O)NNC(=O)C[N@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC001589693697 987767929 /nfs/dbraw/zinc/76/79/29/987767929.db2.gz XODSLMBABRKEJZ-UHFFFAOYSA-N 0 2 311.382 0.652 20 50 DCGDLN CC(C)(C)C(=O)NNC(=O)C[N@@H+](C1CC1)C1(C(=O)[O-])CCC1 ZINC001589693697 987767935 /nfs/dbraw/zinc/76/79/35/987767935.db2.gz XODSLMBABRKEJZ-UHFFFAOYSA-N 0 2 311.382 0.652 20 50 DCGDLN C[C@@H]1CC[C@@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)O1 ZINC000824898403 608578165 /nfs/dbraw/zinc/57/81/65/608578165.db2.gz FIPYXYBKSXREOW-SVRRBLITSA-N 0 2 323.744 0.926 20 50 DCGDLN O=C([O-])N1CCO[C@H](CC(=O)NNc2cc[nH+]cc2Cl)C1 ZINC000831387531 605395489 /nfs/dbraw/zinc/39/54/89/605395489.db2.gz MGWCUVRWZLFXQX-MRVPVSSYSA-N 0 2 314.729 0.369 20 50 DCGDLN O=C(C[C@H]1CCCO1)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826404652 608574849 /nfs/dbraw/zinc/57/48/49/608574849.db2.gz HWQONSFWVHVJMQ-MRVPVSSYSA-N 0 2 323.744 0.927 20 50 DCGDLN C#CCOCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000823849921 608575531 /nfs/dbraw/zinc/57/55/31/608575531.db2.gz CPYIFNHUTOSMNI-UHFFFAOYSA-N 0 2 321.728 0.398 20 50 DCGDLN CCO[C@@H](C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825576434 608576042 /nfs/dbraw/zinc/57/60/42/608576042.db2.gz GUCRGEJZUNTYSG-LURJTMIESA-N 0 2 311.733 0.783 20 50 DCGDLN Cc1n[nH]cc1C(=O)NNC(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000822418881 946082335 /nfs/dbraw/zinc/08/23/35/946082335.db2.gz HUVNSZVDANHXFK-UHFFFAOYSA-N 0 2 318.322 0.035 20 50 DCGDLN C[C@H](C(=O)NN=c1[nH]cccc1C(=O)[O-])[NH+]1CCSCC1 ZINC001602793122 971553168 /nfs/dbraw/zinc/55/31/68/971553168.db2.gz QMVHTRYLRPSSNX-SECBINFHSA-N 0 2 310.379 0.660 20 50 DCGDLN CC(C)CC(=O)NNC(=O)[C@@H](C)[NH2+][C@H](C(=O)[O-])c1ccccc1 ZINC000819967488 955464670 /nfs/dbraw/zinc/46/46/70/955464670.db2.gz YBULWCWANOEKAR-RISCZKNCSA-N 0 2 321.377 0.984 20 50 DCGDLN CC(C)CC(=O)NNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)[O-] ZINC000824170979 603570613 /nfs/dbraw/zinc/57/06/13/603570613.db2.gz VWWKEGGXHMGPAR-QWRGUYRKSA-N 0 2 314.386 0.300 20 50 DCGDLN CC(C)CC(=O)NNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)[O-] ZINC000824170979 603570617 /nfs/dbraw/zinc/57/06/17/603570617.db2.gz VWWKEGGXHMGPAR-QWRGUYRKSA-N 0 2 314.386 0.300 20 50 DCGDLN Cc1cc(C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)[nH]n1 ZINC000826260041 608573493 /nfs/dbraw/zinc/57/34/93/608573493.db2.gz SOHDKQBMFIZKSO-UHFFFAOYSA-N 0 2 319.716 0.704 20 50 DCGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)C1CCOCC1 ZINC000826445319 608575199 /nfs/dbraw/zinc/57/51/99/608575199.db2.gz PEGFZPVBCSFSGB-UHFFFAOYSA-N 0 2 323.744 0.785 20 50 DCGDLN C[C@H]1CC[C@H](C(=O)NNc2cc(-c3nn[nH]n3)cc(Cl)n2)O1 ZINC000824898401 608578022 /nfs/dbraw/zinc/57/80/22/608578022.db2.gz FIPYXYBKSXREOW-POYBYMJQSA-N 0 2 323.744 0.926 20 50 DCGDLN CC[C@@H](C(=O)[O-])[N@H+](C)CC(=O)NNC(=O)c1cccc(C#N)c1 ZINC001589441300 954722006 /nfs/dbraw/zinc/72/20/06/954722006.db2.gz YDXKIPUAVZDYLE-LBPRGKRZSA-N 0 2 318.333 0.114 20 50 DCGDLN CC[C@@H](C(=O)[O-])[N@@H+](C)CC(=O)NNC(=O)c1cccc(C#N)c1 ZINC001589441300 954722014 /nfs/dbraw/zinc/72/20/14/954722014.db2.gz YDXKIPUAVZDYLE-LBPRGKRZSA-N 0 2 318.333 0.114 20 50 DCGDLN O=C([O-])N1CC[C@@](F)(C(=O)NNc2cc[nH+]cc2Cl)C1 ZINC000831909256 603804981 /nfs/dbraw/zinc/80/49/81/603804981.db2.gz XRJCPYKFJMOPAZ-NSHDSACASA-N 0 2 302.693 0.692 20 50 DCGDLN O=C([O-])N1CCO[C@@H](CC(=O)NNc2cc[nH+]cc2Cl)C1 ZINC000831387532 605395865 /nfs/dbraw/zinc/39/58/65/605395865.db2.gz MGWCUVRWZLFXQX-QMMMGPOBSA-N 0 2 314.729 0.369 20 50 DCGDLN Cc1ccc(C(=O)NNC(=O)C[N@@H+](CC(=O)[O-])C(C)C)cc1 ZINC000738260358 955236044 /nfs/dbraw/zinc/23/60/44/955236044.db2.gz PGNJXJNSVZBTBX-UHFFFAOYSA-N 0 2 307.350 0.551 20 50 DCGDLN Cc1ccc(C(=O)NNC(=O)C[N@H+](CC(=O)[O-])C(C)C)cc1 ZINC000738260358 955236053 /nfs/dbraw/zinc/23/60/53/955236053.db2.gz PGNJXJNSVZBTBX-UHFFFAOYSA-N 0 2 307.350 0.551 20 50 DCGDLN C[C@](CCF)([NH2+]CC(=O)NNC(=O)c1cccs1)C(=O)[O-] ZINC001592498377 978310598 /nfs/dbraw/zinc/31/05/98/978310598.db2.gz ZQZSFACPEGHWFF-GFCCVEGCSA-N 0 2 317.342 0.302 20 50 DCGDLN CC[C@H](C)[N@H+](CC(=O)[O-])CC(=O)NNC(=O)c1cccc(C)c1 ZINC001594979701 982772247 /nfs/dbraw/zinc/77/22/47/982772247.db2.gz YTPLOHURUHBSME-LBPRGKRZSA-N 0 2 321.377 0.941 20 50 DCGDLN CC[C@H](C)[N@@H+](CC(=O)[O-])CC(=O)NNC(=O)c1cccc(C)c1 ZINC001594979701 982772250 /nfs/dbraw/zinc/77/22/50/982772250.db2.gz YTPLOHURUHBSME-LBPRGKRZSA-N 0 2 321.377 0.941 20 50 DCGDLN O=C(NNC(=O)c1ccc(-c2nn[nH]n2)cc1)c1cscn1 ZINC000738134214 945217683 /nfs/dbraw/zinc/21/76/83/945217683.db2.gz GRHBXTHOAOKVSH-UHFFFAOYSA-N 0 2 315.318 0.398 20 50 DCGDLN O=C(NNC(=O)c1cccc(-c2nn[nH]n2)c1)c1cscn1 ZINC000738134734 945222678 /nfs/dbraw/zinc/22/26/78/945222678.db2.gz RTPSDNIOILLWBY-UHFFFAOYSA-N 0 2 315.318 0.398 20 50 DCGDLN Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NN=c1[nH]cccc1C(=O)[O-] ZINC001594558570 955787583 /nfs/dbraw/zinc/78/75/83/955787583.db2.gz LNAYPFNFLOLOPH-NXEZZACHSA-N 0 2 301.306 0.760 20 50 DCGDLN Cc1cccc([C@H]([NH2+]CC(=O)NNC(=O)C2CC2)C(=O)[O-])c1 ZINC001594398635 958809759 /nfs/dbraw/zinc/80/97/59/958809759.db2.gz CXZLAUCVOFHPRV-ZDUSSCGKSA-N 0 2 305.334 0.268 20 50 DCGDLN CN(C(=O)[O-])C1CC[NH+](CC(=O)NNC(=O)C(C)(C)C)CC1 ZINC000827883407 603557055 /nfs/dbraw/zinc/55/70/55/603557055.db2.gz XSRCISLTQLOLRE-UHFFFAOYSA-N 0 2 314.386 0.254 20 50 DCGDLN CN(C[C@H]1CCC[N@@H+]1CC(=O)NNC(=O)C(C)(C)C)C(=O)[O-] ZINC000828224423 603582754 /nfs/dbraw/zinc/58/27/54/603582754.db2.gz 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608577840 /nfs/dbraw/zinc/57/78/40/608577840.db2.gz KMCVHKINTCVKMU-MRVPVSSYSA-N 0 2 323.744 0.927 20 50 DCGDLN CC(C)(C)C(=O)NNC(=O)C[NH2+][C@@](C)(C(=O)[O-])c1ccccc1 ZINC001602846829 971680600 /nfs/dbraw/zinc/68/06/00/971680600.db2.gz AOHCVYLHCIAWSO-MRXNPFEDSA-N 0 2 321.377 0.770 20 50 DCGDLN Cc1ccc(C(=O)NNC(=O)C[N@H+](CC(=O)[O-])C2CCC2)cc1 ZINC000848597904 969271064 /nfs/dbraw/zinc/27/10/64/969271064.db2.gz FBVNYEUJUXCSQJ-UHFFFAOYSA-N 0 2 319.361 0.695 20 50 DCGDLN Cc1ccc(C(=O)NNC(=O)C[N@@H+](CC(=O)[O-])C2CCC2)cc1 ZINC000848597904 969271073 /nfs/dbraw/zinc/27/10/73/969271073.db2.gz FBVNYEUJUXCSQJ-UHFFFAOYSA-N 0 2 319.361 0.695 20 50 DCGDLN Cc1ccc(C(=O)NNC(=O)C[N@@H+](C)C(C)(C)C(=O)[O-])cc1 ZINC000738513460 978550718 /nfs/dbraw/zinc/55/07/18/978550718.db2.gz LIPSIDBFBLHGMM-UHFFFAOYSA-N 0 2 307.350 0.551 20 50 DCGDLN Cc1ccc(C(=O)NNC(=O)C[N@H+](C)C(C)(C)C(=O)[O-])cc1 ZINC000738513460 978550720 /nfs/dbraw/zinc/55/07/20/978550720.db2.gz LIPSIDBFBLHGMM-UHFFFAOYSA-N 0 2 307.350 0.551 20 50 DCGDLN C[C@H](C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)[NH+]1CCSCC1 ZINC001589422769 986669896 /nfs/dbraw/zinc/66/98/96/986669896.db2.gz IGLDNXMKRIFPRJ-SECBINFHSA-N 0 2 310.379 0.660 20 50 DCGDLN CC(=NNC(=O)NCC(=O)[O-])c1ccc(-n2cc[nH+]c2)cc1 ZINC000833384365 605586180 /nfs/dbraw/zinc/58/61/80/605586180.db2.gz HUMKXDGDBPTWAH-UHFFFAOYSA-N 0 2 301.306 0.980 20 50 DCGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cnsn1 ZINC000826445679 608580217 /nfs/dbraw/zinc/58/02/17/608580217.db2.gz FKGSHNYGYOCYSA-UHFFFAOYSA-N 0 2 323.729 0.524 20 50 DCGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1ccon1 ZINC000826445971 948311294 /nfs/dbraw/zinc/31/12/94/948311294.db2.gz SXJARPIDVRJBTB-UHFFFAOYSA-N 0 2 306.673 0.660 20 50 DCGDLN O=C([O-])c1ccc[nH]c1=NNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001606528500 974034110 /nfs/dbraw/zinc/03/41/10/974034110.db2.gz JYRRSMJUDFEZAB-SECBINFHSA-N 0 2 301.306 0.682 20 50 DCGDLN COC[C@H](C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826148340 608575977 /nfs/dbraw/zinc/57/59/77/608575977.db2.gz GDFAYXAUGCGVME-LURJTMIESA-N 0 2 311.733 0.641 20 50 DCGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)c1cnccn1 ZINC000826446006 608577654 /nfs/dbraw/zinc/57/76/54/608577654.db2.gz VCJHSJXYIIAEGU-UHFFFAOYSA-N 0 2 317.700 0.462 20 50 DCGDLN Cc1cccc(C(=O)NNC(=O)C[N@@H+](CC(=O)[O-])C(C)C)c1 ZINC000821107154 955491699 /nfs/dbraw/zinc/49/16/99/955491699.db2.gz LCYRGWVXLHJYII-UHFFFAOYSA-N 0 2 307.350 0.551 20 50 DCGDLN Cc1cccc(C(=O)NNC(=O)C[N@H+](CC(=O)[O-])C(C)C)c1 ZINC000821107154 955491704 /nfs/dbraw/zinc/49/17/04/955491704.db2.gz LCYRGWVXLHJYII-UHFFFAOYSA-N 0 2 307.350 0.551 20 50 DCGDLN C[C@@](CCF)([NH2+]CC(=O)NNC(=O)c1cccs1)C(=O)[O-] ZINC001592498378 978310474 /nfs/dbraw/zinc/31/04/74/978310474.db2.gz ZQZSFACPEGHWFF-LBPRGKRZSA-N 0 2 317.342 0.302 20 50 DCGDLN C[C@@H](C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)[NH+]1CCSCC1 ZINC001589422771 986669671 /nfs/dbraw/zinc/66/96/71/986669671.db2.gz IGLDNXMKRIFPRJ-VIFPVBQESA-N 0 2 310.379 0.660 20 50 DCGDLN C[C@@H]1C[N@H+](CC(=O)NNC(=O)C(C)(C)C)CC[C@H]1NC(=O)[O-] ZINC000826049913 603564694 /nfs/dbraw/zinc/56/46/94/603564694.db2.gz PFQSCQQORBJIRG-NXEZZACHSA-N 0 2 314.386 0.158 20 50 DCGDLN C[C@@H]1C[N@@H+](CC(=O)NNC(=O)C(C)(C)C)CC[C@H]1NC(=O)[O-] ZINC000826049913 603564697 /nfs/dbraw/zinc/56/46/97/603564697.db2.gz PFQSCQQORBJIRG-NXEZZACHSA-N 0 2 314.386 0.158 20 50 DCGDLN Nc1cn[nH+]c(NNC(=O)NCC2(C(=O)[O-])CCC2)c1Cl ZINC001605655638 974047028 /nfs/dbraw/zinc/04/70/28/974047028.db2.gz SGSHYKHYCXHEJI-UHFFFAOYSA-N 0 2 314.733 0.593 20 50 DCGDLN O=C(NNc1ncc(F)cn1)c1sccc1-c1nn[nH]n1 ZINC000826449890 608038494 /nfs/dbraw/zinc/03/84/94/608038494.db2.gz NQDFQBIPLMLMHA-UHFFFAOYSA-N 0 2 306.286 0.614 20 50 DCGDLN O=C(NN=c1ncc(F)c[nH]1)c1sccc1-c1nn[nH]n1 ZINC000826449890 608038495 /nfs/dbraw/zinc/03/84/95/608038495.db2.gz NQDFQBIPLMLMHA-UHFFFAOYSA-N 0 2 306.286 0.614 20 50 DCGDLN O=C([O-])[C@@H]1CCCCC[N@@H+]1CC(=O)NNC(=O)c1ccccc1 ZINC000322028437 970839174 /nfs/dbraw/zinc/83/91/74/970839174.db2.gz SEGWUDAGTDAINI-ZDUSSCGKSA-N 0 2 319.361 0.777 20 50 DCGDLN O=C([O-])[C@@H]1CCCCC[N@H+]1CC(=O)NNC(=O)c1ccccc1 ZINC000322028437 970839184 /nfs/dbraw/zinc/83/91/84/970839184.db2.gz SEGWUDAGTDAINI-ZDUSSCGKSA-N 0 2 319.361 0.777 20 50 DCGDLN CC[C@@H](CNC(=O)NNc1[nH+]ncc(N)c1Cl)C(=O)[O-] ZINC001589538308 955179628 /nfs/dbraw/zinc/17/96/28/955179628.db2.gz HJUFXJYFWOJJPY-YFKPBYRVSA-N 0 2 302.722 0.449 20 50 DCGDLN Cc1cc(NNC(=O)c2cccn(CC(=O)[O-])c2=O)nc(C)[nH+]1 ZINC001605213462 972955636 /nfs/dbraw/zinc/95/56/36/972955636.db2.gz LCNGYAXAKILBPX-UHFFFAOYSA-N 0 2 317.305 0.097 20 50 DCGDLN CC[N@H+](CC(=O)NNC(=O)c1ccc(C)cc1)C(C)(C)C(=O)[O-] ZINC001596207499 983595484 /nfs/dbraw/zinc/59/54/84/983595484.db2.gz VVHVFZGKDIVMPE-UHFFFAOYSA-N 0 2 321.377 0.941 20 50 DCGDLN CC[N@@H+](CC(=O)NNC(=O)c1ccc(C)cc1)C(C)(C)C(=O)[O-] ZINC001596207499 983595486 /nfs/dbraw/zinc/59/54/86/983595486.db2.gz VVHVFZGKDIVMPE-UHFFFAOYSA-N 0 2 321.377 0.941 20 50 DCGDLN C[C@H]1OCC[C@H]1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825014515 608168655 /nfs/dbraw/zinc/16/86/55/608168655.db2.gz WTOMGYKVMXCCJN-HTRCEHHLSA-N 0 2 323.744 0.783 20 50 DCGDLN Nc1cn[nH+]c(NNC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c1Cl ZINC001346333070 958065775 /nfs/dbraw/zinc/06/57/75/958065775.db2.gz ONZMVTSSXZYTKL-GFCCVEGCSA-N 0 2 311.729 0.966 20 50 DCGDLN Cc1cccc([C@@H]([NH2+]CC(=O)NNC(=O)C2CC2)C(=O)[O-])c1 ZINC001594398630 958809187 /nfs/dbraw/zinc/80/91/87/958809187.db2.gz CXZLAUCVOFHPRV-CYBMUJFWSA-N 0 2 305.334 0.268 20 50 DCGDLN CC(C)(C)C(=O)NNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[O-] ZINC000823754038 603550520 /nfs/dbraw/zinc/55/05/20/603550520.db2.gz BPWQPLLEAVSNRE-JTQLQIEISA-N 0 2 314.386 0.302 20 50 DCGDLN CC(C)(C)C(=O)NNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[O-] ZINC000823754038 603550523 /nfs/dbraw/zinc/55/05/23/603550523.db2.gz BPWQPLLEAVSNRE-JTQLQIEISA-N 0 2 314.386 0.302 20 50 DCGDLN O=C(NNc1cccc(-c2nn[nH]n2)c1)c1ccc2[nH]nnc2c1 ZINC000826448958 607716684 /nfs/dbraw/zinc/71/66/84/607716684.db2.gz VAHVRZPWKNPGTL-UHFFFAOYSA-N 0 2 321.304 0.895 20 50 DCGDLN Cc1cccc([C@H]([NH2+]CC(=O)NNC(=O)C(C)C)C(=O)[O-])c1 ZINC001594399605 958833369 /nfs/dbraw/zinc/83/33/69/958833369.db2.gz QSVCFQCVCUHFNE-ZDUSSCGKSA-N 0 2 307.350 0.514 20 50 DCGDLN O=C([O-])c1ccc[nH]c1=NNC(=O)[C@H]1CCc2c[nH+]cn2C1 ZINC001606528501 974033865 /nfs/dbraw/zinc/03/38/65/974033865.db2.gz JYRRSMJUDFEZAB-VIFPVBQESA-N 0 2 301.306 0.682 20 50 DCGDLN C[C@H]1C[N@H+](CC(=O)NNC(=O)C(C)(C)C)CC[C@H]1NC(=O)[O-] ZINC000826049915 603565437 /nfs/dbraw/zinc/56/54/37/603565437.db2.gz PFQSCQQORBJIRG-VHSXEESVSA-N 0 2 314.386 0.158 20 50 DCGDLN C[C@H]1C[N@@H+](CC(=O)NNC(=O)C(C)(C)C)CC[C@H]1NC(=O)[O-] ZINC000826049915 603565439 /nfs/dbraw/zinc/56/54/39/603565439.db2.gz PFQSCQQORBJIRG-VHSXEESVSA-N 0 2 314.386 0.158 20 50 DCGDLN O=C([O-])N1CC[C@](F)(C(=O)NNc2cc[nH+]cc2Cl)C1 ZINC000831909255 603805096 /nfs/dbraw/zinc/80/50/96/603805096.db2.gz XRJCPYKFJMOPAZ-LLVKDONJSA-N 0 2 302.693 0.692 20 50 DCGDLN CC(C)CC(=O)NNC(=O)[C@H](C)[N@@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000833472880 605847270 /nfs/dbraw/zinc/84/72/70/605847270.db2.gz GBXWPKDENWMQKZ-RYUDHWBXSA-N 0 2 313.398 0.898 20 50 DCGDLN CC(C)CC(=O)NNC(=O)[C@H](C)[N@H+]1CCCCC[C@H]1C(=O)[O-] ZINC000833472880 605847273 /nfs/dbraw/zinc/84/72/73/605847273.db2.gz GBXWPKDENWMQKZ-RYUDHWBXSA-N 0 2 313.398 0.898 20 50 DCGDLN COC[C@@H](C)C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826148341 608575996 /nfs/dbraw/zinc/57/59/96/608575996.db2.gz GDFAYXAUGCGVME-ZCFIWIBFSA-N 0 2 311.733 0.641 20 50 DCGDLN O=C([O-])[C@H]1CCCCC[N@@H+]1CC(=O)NNC(=O)c1ccccc1 ZINC000322028436 970839553 /nfs/dbraw/zinc/83/95/53/970839553.db2.gz SEGWUDAGTDAINI-CYBMUJFWSA-N 0 2 319.361 0.777 20 50 DCGDLN O=C([O-])[C@H]1CCCCC[N@H+]1CC(=O)NNC(=O)c1ccccc1 ZINC000322028436 970839565 /nfs/dbraw/zinc/83/95/65/970839565.db2.gz SEGWUDAGTDAINI-CYBMUJFWSA-N 0 2 319.361 0.777 20 50 DCGDLN Cc1ccc(C(=O)NNC(=O)c2cccc(-c3nn[nH]n3)c2)o1 ZINC000737313695 945037193 /nfs/dbraw/zinc/03/71/93/945037193.db2.gz YEHDCOGWLCTQSZ-UHFFFAOYSA-N 0 2 312.289 0.843 20 50 DCGDLN CC[N@H+](CC(=O)NNC(=O)c1cccc(C)c1)[C@@H](C)C(=O)[O-] ZINC001603724232 974160291 /nfs/dbraw/zinc/16/02/91/974160291.db2.gz RBOLEJOEMXTIOQ-NSHDSACASA-N 0 2 307.350 0.551 20 50 DCGDLN CC[N@@H+](CC(=O)NNC(=O)c1cccc(C)c1)[C@@H](C)C(=O)[O-] ZINC001603724232 974160295 /nfs/dbraw/zinc/16/02/95/974160295.db2.gz RBOLEJOEMXTIOQ-NSHDSACASA-N 0 2 307.350 0.551 20 50 DCGDLN O=C(NNc1ncc(F)cn1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826449871 608038248 /nfs/dbraw/zinc/03/82/48/608038248.db2.gz MXCWPXWSJVVOJX-UHFFFAOYSA-N 0 2 300.257 0.553 20 50 DCGDLN COCCCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000826155433 608574738 /nfs/dbraw/zinc/57/47/38/608574738.db2.gz QANPWYYTFLCTHX-UHFFFAOYSA-N 0 2 311.733 0.785 20 50 DCGDLN CC(C)OCC(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000824308982 608577024 /nfs/dbraw/zinc/57/70/24/608577024.db2.gz CUECZYDYEQBEFS-UHFFFAOYSA-N 0 2 311.733 0.783 20 50 DCGDLN O=C(NNc1cc(-c2nn[nH]n2)cc(Cl)n1)[C@@H]1CCOC1 ZINC000826445250 608580385 /nfs/dbraw/zinc/58/03/85/608580385.db2.gz MBDYECVCMUXLOM-ZCFIWIBFSA-N 0 2 309.717 0.395 20 50 DCGDLN O=C([O-])c1ccc[nH]c1=NNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001595261460 949670464 /nfs/dbraw/zinc/67/04/64/949670464.db2.gz BDCVWIWLURQHGH-VIFPVBQESA-N 0 2 301.306 0.682 20 50 DCGDLN CC(C)CC(=O)NNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000824170126 603838094 /nfs/dbraw/zinc/83/80/94/603838094.db2.gz FSNPBCIVDJQRLR-QWRGUYRKSA-N 0 2 314.386 0.253 20 50 DCGDLN CC(C)CC(=O)NNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000824170126 603838095 /nfs/dbraw/zinc/83/80/95/603838095.db2.gz FSNPBCIVDJQRLR-QWRGUYRKSA-N 0 2 314.386 0.253 20 50 DCGDLN CCO[C@@H]1C[C@H]1C(=O)NNc1cc(-c2nn[nH]n2)cc(Cl)n1 ZINC000825583220 608576093 /nfs/dbraw/zinc/57/60/93/608576093.db2.gz SFRMIUOZMQMKGO-HTQZYQBOSA-N 0 2 323.744 0.783 20 50 DCGDLN Nc1cn[nH+]c(NNC(=O)C2(C(=O)[O-])CCOCC2)c1Cl ZINC001594666747 956581759 /nfs/dbraw/zinc/58/17/59/956581759.db2.gz VRTBKONRPFAKSX-UHFFFAOYSA-N 0 2 315.717 0.037 20 50 DCGDLN CC(C)(C)C(=O)NNC(=O)C[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000826134881 601887893 /nfs/dbraw/zinc/88/78/93/601887893.db2.gz GNENBYXILBYHAI-VIFPVBQESA-N 0 2 317.411 0.072 20 50 DCGDLN CC(C)(C)C(=O)NNC(=O)C[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000826134881 601887897 /nfs/dbraw/zinc/88/78/97/601887897.db2.gz GNENBYXILBYHAI-VIFPVBQESA-N 0 2 317.411 0.072 20 50 DCGDLN CN(C(=O)[O-])[C@@H]1CC[N@H+](CC(=O)NNC(=O)c2ccccc2)C1 ZINC000827883126 603838790 /nfs/dbraw/zinc/83/87/90/603838790.db2.gz WQGCVJDEEJNXMB-GFCCVEGCSA-N 0 2 320.349 0.132 20 50 DCGDLN CN(C(=O)[O-])[C@@H]1CC[N@@H+](CC(=O)NNC(=O)c2ccccc2)C1 ZINC000827883126 603838791 /nfs/dbraw/zinc/83/87/91/603838791.db2.gz WQGCVJDEEJNXMB-GFCCVEGCSA-N 0 2 320.349 0.132 20 50 DCGDLN O=C(NNc1ncc(F)cn1)c1ccc(-c2nn[nH]n2)s1 ZINC000826450174 608038423 /nfs/dbraw/zinc/03/84/23/608038423.db2.gz ZVCKEJHTKNBCEX-UHFFFAOYSA-N 0 2 306.286 0.614 20 50 DCGDLN O=C(NN=c1ncc(F)c[nH]1)c1ccc(-c2nn[nH]n2)s1 ZINC000826450174 608038424 /nfs/dbraw/zinc/03/84/24/608038424.db2.gz ZVCKEJHTKNBCEX-UHFFFAOYSA-N 0 2 306.286 0.614 20 50 DCGDLN