smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(C[N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)ccc1C(=O)[O-] ZINC000274921847 483022294 /nfs/dbraw/zinc/02/22/94/483022294.db2.gz BKJDSLWACLJUBM-UHFFFAOYSA-N -2 1 368.371 -1.036 20 0 FAADML Cn1cc(S(=O)(=O)[N-]Cc2nc(C(=O)[O-])cs2)c(=O)n(C)c1=O ZINC000274994377 272816327 /nfs/dbraw/zinc/81/63/27/272816327.db2.gz NCBAOPULMDTZPT-UHFFFAOYSA-N -2 1 360.373 -1.283 20 0 FAADML CSCC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000275003660 483653174 /nfs/dbraw/zinc/65/31/74/483653174.db2.gz AYCRKZAIKXSUKR-SSDOTTSWSA-N -2 1 351.406 -1.431 20 0 FAADML CSCC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000275003668 483652753 /nfs/dbraw/zinc/65/27/53/483652753.db2.gz AYCRKZAIKXSUKR-ZETCQYMHSA-N -2 1 351.406 -1.431 20 0 FAADML Cn1cc(S(=O)(=O)[N-]CCN2C[C@H](C(=O)[O-])CC2=O)c(=O)n(C)c1=O ZINC000275012858 483024520 /nfs/dbraw/zinc/02/45/20/483024520.db2.gz QGXLJQZUWWOLBL-MRVPVSSYSA-N -2 1 374.375 -2.705 20 0 FAADML Cn1cc(S(=O)(=O)[N-]CCN2C[C@@H](C(=O)[O-])CC2=O)c(=O)n(C)c1=O ZINC000275012861 483024654 /nfs/dbraw/zinc/02/46/54/483024654.db2.gz QGXLJQZUWWOLBL-QMMMGPOBSA-N -2 1 374.375 -2.705 20 0 FAADML Cn1cc(S(=O)(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])c(=O)n(C)c1=O ZINC000275180850 483653587 /nfs/dbraw/zinc/65/35/87/483653587.db2.gz DKJJSGBBJVDXKI-RXMQYKEDSA-N -2 1 359.282 -1.232 20 0 FAADML Cn1cc(S(=O)(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])c(=O)n(C)c1=O ZINC000275180851 483652633 /nfs/dbraw/zinc/65/26/33/483652633.db2.gz DKJJSGBBJVDXKI-YFKPBYRVSA-N -2 1 359.282 -1.232 20 0 FAADML Cn1cc(C[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(=O)[O-])cn1 ZINC000275266820 483025826 /nfs/dbraw/zinc/02/58/26/483025826.db2.gz MSUANTRKSZUQLH-SECBINFHSA-N -2 1 371.375 -2.208 20 0 FAADML Cn1cc(C[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(=O)[O-])cn1 ZINC000275266831 483026406 /nfs/dbraw/zinc/02/64/06/483026406.db2.gz MSUANTRKSZUQLH-VIFPVBQESA-N -2 1 371.375 -2.208 20 0 FAADML COC(=O)CC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000275365817 483654674 /nfs/dbraw/zinc/65/46/74/483654674.db2.gz YADYZIDMKVEARU-SSDOTTSWSA-N -2 1 363.348 -2.231 20 0 FAADML COC(=O)CC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000275365819 483654603 /nfs/dbraw/zinc/65/46/03/483654603.db2.gz YADYZIDMKVEARU-ZETCQYMHSA-N -2 1 363.348 -2.231 20 0 FAADML Cn1cc(S(=O)(=O)[N-][C@H](CCCC(=O)[O-])C(=O)[O-])c(=O)n(C)c1=O ZINC000278795003 272819840 /nfs/dbraw/zinc/81/98/40/272819840.db2.gz VKUVOTVNQUIYNT-SSDOTTSWSA-N -3 1 363.348 -1.930 20 0 FAADML Cn1cc(S(=O)(=O)[N-]CCc2cccc(C(=O)[O-])n2)c(=O)n(C)c1=O ZINC000281787139 483045495 /nfs/dbraw/zinc/04/54/95/483045495.db2.gz HRRWVSCYRLDLOH-UHFFFAOYSA-N -2 1 368.371 -1.302 20 0 FAADML Cc1cc(C(=O)NCCC(=O)[N-]S(C)(=O)=O)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000282363126 483047099 /nfs/dbraw/zinc/04/70/99/483047099.db2.gz XQGNCRFOJXMYAQ-UHFFFAOYSA-N -3 1 369.359 -1.060 20 0 FAADML Cn1cc(S(=O)(=O)[N-][C@@H](COC(C)(C)C)C(=O)[O-])c(=O)n(C)c1=O ZINC000285047475 483305548 /nfs/dbraw/zinc/30/55/48/483305548.db2.gz JKHBBQIHHZBFHC-QMMMGPOBSA-N -2 1 363.392 -1.369 20 0 FAADML Cc1nc(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c(Br)n1C ZINC000287314531 483313777 /nfs/dbraw/zinc/31/37/77/483313777.db2.gz UNUVIWKUYUJCFX-UHFFFAOYSA-N -2 1 369.197 -1.030 20 0 FAADML Cn1cc(S(=O)(=O)[N-]CCn2cc(C(=O)[O-])nn2)c(=O)n(C)c1=O ZINC000325171054 657843594 /nfs/dbraw/zinc/84/35/94/657843594.db2.gz SNTKPZARHBOIBA-UHFFFAOYSA-N -2 1 358.336 -2.648 20 0 FAADML Cn1cc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCOCC2)c(=O)n(C)c1=O ZINC000325496325 483662338 /nfs/dbraw/zinc/66/23/38/483662338.db2.gz LLWVNDNWIZWIHF-UHFFFAOYSA-N -2 1 361.376 -1.756 20 0 FAADML Cn1cc([C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(=O)[O-])cn1 ZINC000325508501 483661921 /nfs/dbraw/zinc/66/19/21/483661921.db2.gz NKWXHVUXZQNBML-SECBINFHSA-N -2 1 357.348 -2.078 20 0 FAADML Cn1cc([C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(=O)[O-])cn1 ZINC000325508503 483662302 /nfs/dbraw/zinc/66/23/02/483662302.db2.gz NKWXHVUXZQNBML-VIFPVBQESA-N -2 1 357.348 -2.078 20 0 FAADML Cn1nccc1[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000402658750 483699272 /nfs/dbraw/zinc/69/92/72/483699272.db2.gz JYTLGXBPTVTJAL-SECBINFHSA-N -2 1 357.348 -2.078 20 0 FAADML Cn1nccc1[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000402658755 483699146 /nfs/dbraw/zinc/69/91/46/483699146.db2.gz JYTLGXBPTVTJAL-VIFPVBQESA-N -2 1 357.348 -2.078 20 0 FAADML O=C([O-])[C@H]1CN2C(=O)N=NC2CN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000424240280 483331814 /nfs/dbraw/zinc/33/18/14/483331814.db2.gz XKVYXDFXVJCNSU-SSDOTTSWSA-N -2 1 362.302 -1.690 20 0 FAADML O=C([O-])[C@@H]1CN2C(=O)N=NC2CN1C(=O)CNC(=O)c1ncccc1[O-] ZINC000424240283 483331803 /nfs/dbraw/zinc/33/18/03/483331803.db2.gz XKVYXDFXVJCNSU-ZETCQYMHSA-N -2 1 362.302 -1.690 20 0 FAADML CC(=O)NCCN(C(=O)CNC(=O)c1ncccc1[O-])[C@H](C)C(=O)[O-] ZINC000455771309 483390924 /nfs/dbraw/zinc/39/09/24/483390924.db2.gz YOWRPOUMODUNHY-SECBINFHSA-N -2 1 352.347 -1.045 20 0 FAADML CC(=O)NCCN(C(=O)CNC(=O)c1ncccc1[O-])[C@@H](C)C(=O)[O-] ZINC000455771316 483391073 /nfs/dbraw/zinc/39/10/73/483391073.db2.gz YOWRPOUMODUNHY-VIFPVBQESA-N -2 1 352.347 -1.045 20 0 FAADML COC(=O)[C@H]1CNC(=O)CN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000468669907 483417744 /nfs/dbraw/zinc/41/77/44/483417744.db2.gz YYDOQHAQEQEADC-MRVPVSSYSA-N -2 1 361.314 -1.142 20 0 FAADML COC(=O)[C@@H]1CNC(=O)CN1C(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1 ZINC000468669911 483417435 /nfs/dbraw/zinc/41/74/35/483417435.db2.gz YYDOQHAQEQEADC-QMMMGPOBSA-N -2 1 361.314 -1.142 20 0 FAADML Cc1cc(C(=O)N2CCN(S(N)(=O)=O)CC2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000469413775 483419767 /nfs/dbraw/zinc/41/97/67/483419767.db2.gz JSHKPCXUZFKHEX-UHFFFAOYSA-N -2 1 368.375 -1.294 20 0 FAADML Cc1c([C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(=O)[O-])cnn1C ZINC000515194077 483345692 /nfs/dbraw/zinc/34/56/92/483345692.db2.gz IHAKNTSABQQFAO-JTQLQIEISA-N -2 1 371.375 -1.770 20 0 FAADML Cc1c([C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(=O)[O-])cnn1C ZINC000515194078 483345588 /nfs/dbraw/zinc/34/55/88/483345588.db2.gz IHAKNTSABQQFAO-SNVBAGLBSA-N -2 1 371.375 -1.770 20 0 FAADML Cc1ncsc1[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000527052699 483192359 /nfs/dbraw/zinc/19/23/59/483192359.db2.gz HYYWMMDQBDPIDD-MRVPVSSYSA-N -2 1 374.400 -1.047 20 0 FAADML Cc1ncsc1[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000527052700 483192769 /nfs/dbraw/zinc/19/27/69/483192769.db2.gz HYYWMMDQBDPIDD-QMMMGPOBSA-N -2 1 374.400 -1.047 20 0 FAADML CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](CO)C(=O)[O-])c(F)c1 ZINC000547548567 483585730 /nfs/dbraw/zinc/58/57/30/483585730.db2.gz RLQDNLLEZNRUND-QMMMGPOBSA-N -2 1 356.353 -1.079 20 0 FAADML Cn1cc(S(=O)(=O)[N-][C@H](Cc2ccco2)C(=O)[O-])c(=O)n(C)c1=O ZINC000547567746 483585957 /nfs/dbraw/zinc/58/59/57/483585957.db2.gz FQXFRMHPQQBHLG-SECBINFHSA-N -2 1 357.344 -1.349 20 0 FAADML Cn1cc(S(=O)(=O)[N-][C@@H](Cc2ccco2)C(=O)[O-])c(=O)n(C)c1=O ZINC000547567747 483585904 /nfs/dbraw/zinc/58/59/04/483585904.db2.gz FQXFRMHPQQBHLG-VIFPVBQESA-N -2 1 357.344 -1.349 20 0 FAADML Cn1cc(S(=O)(=O)[N-][C@@H](C[C@H]2CCOC2)C(=O)[O-])c(=O)n(C)c1=O ZINC000547873521 483587133 /nfs/dbraw/zinc/58/71/33/483587133.db2.gz LZKSOLJUTRLDKM-BDAKNGLRSA-N -2 1 361.376 -1.758 20 0 FAADML Cn1cc(S(=O)(=O)[N-][C@H](C[C@@H]2CCOC2)C(=O)[O-])c(=O)n(C)c1=O ZINC000547873522 483587077 /nfs/dbraw/zinc/58/70/77/483587077.db2.gz LZKSOLJUTRLDKM-DTWKUNHWSA-N -2 1 361.376 -1.758 20 0 FAADML Cn1cc(S(=O)(=O)[N-][C@@H](C[C@@H]2CCOC2)C(=O)[O-])c(=O)n(C)c1=O ZINC000547873523 483586824 /nfs/dbraw/zinc/58/68/24/483586824.db2.gz LZKSOLJUTRLDKM-IUCAKERBSA-N -2 1 361.376 -1.758 20 0 FAADML Cn1cc(S(=O)(=O)[N-][C@H](C[C@H]2CCOC2)C(=O)[O-])c(=O)n(C)c1=O ZINC000547873524 483586862 /nfs/dbraw/zinc/58/68/62/483586862.db2.gz LZKSOLJUTRLDKM-RKDXNWHRSA-N -2 1 361.376 -1.758 20 0 FAADML Cc1cnn(C[C@@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(=O)[O-])c1 ZINC000547888581 483587788 /nfs/dbraw/zinc/58/77/88/483587788.db2.gz KEYANGRYLIWVRP-SECBINFHSA-N -2 1 371.375 -1.979 20 0 FAADML Cc1cnn(C[C@H]([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C(=O)[O-])c1 ZINC000547888586 483588258 /nfs/dbraw/zinc/58/82/58/483588258.db2.gz KEYANGRYLIWVRP-VIFPVBQESA-N -2 1 371.375 -1.979 20 0 FAADML CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]Cc1cn(CC(=O)[O-])nn1 ZINC000547936455 483588611 /nfs/dbraw/zinc/58/86/11/483588611.db2.gz HYRPEYIHWKJURW-UHFFFAOYSA-N -2 1 358.336 -1.259 20 0 FAADML CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](CO)C(=O)[O-])c(F)c1 ZINC000548208083 483590002 /nfs/dbraw/zinc/59/00/02/483590002.db2.gz RLQDNLLEZNRUND-MRVPVSSYSA-N -2 1 356.353 -1.079 20 0 FAADML CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@H](O)C(=O)[O-])c(F)c1 ZINC000548264812 483589000 /nfs/dbraw/zinc/58/90/00/483589000.db2.gz XEOFMUZTKBOCMC-QMMMGPOBSA-N -2 1 356.353 -1.079 20 0 FAADML Cn1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(O)cc2)c(=O)n(C)c1=O ZINC000548537327 483591007 /nfs/dbraw/zinc/59/10/07/483591007.db2.gz RUGZGMVXFSWLPH-LLVKDONJSA-N -2 1 369.355 -1.106 20 0 FAADML CCCSC[C@@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000548559371 483590599 /nfs/dbraw/zinc/59/05/99/483590599.db2.gz IIDQKGADYLGNBR-MRVPVSSYSA-N -2 1 365.433 -1.041 20 0 FAADML CCCSC[C@H]([N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000548559374 483590498 /nfs/dbraw/zinc/59/04/98/483590498.db2.gz IIDQKGADYLGNBR-QMMMGPOBSA-N -2 1 365.433 -1.041 20 0 FAADML Cn1cc(S(=O)(=O)[N-]C[C@@](C)(CC(=O)[O-])C(=O)[O-])c(=O)n(C)c1=O ZINC000548590332 483592624 /nfs/dbraw/zinc/59/26/24/483592624.db2.gz KEWCPJFJVULRET-GFCCVEGCSA-N -3 1 363.348 -2.072 20 0 FAADML Cn1cc(S(=O)(=O)[N-]C[C@](C)(CC(=O)[O-])C(=O)[O-])c(=O)n(C)c1=O ZINC000548590339 483591919 /nfs/dbraw/zinc/59/19/19/483591919.db2.gz KEWCPJFJVULRET-LBPRGKRZSA-N -3 1 363.348 -2.072 20 0 FAADML Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000563398056 482937907 /nfs/dbraw/zinc/93/79/07/482937907.db2.gz MSSZVUJHDICGKS-HTQZYQBOSA-N -2 1 354.344 -1.368 20 0 FAADML O=S(=O)(CCCS(=O)(=O)N[C@@H]1COC[C@H]1O)[N-]c1c[nH]cn1 ZINC000566486009 483643380 /nfs/dbraw/zinc/64/33/80/483643380.db2.gz AMEGQIWBBIZXNF-RKDXNWHRSA-N -2 1 354.410 -1.779 20 0 FAADML Cn1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(F)F)c(=O)n(C)c1=O ZINC000570548072 482722307 /nfs/dbraw/zinc/72/23/07/482722307.db2.gz SWSVSULOVVVDPG-LURJTMIESA-N -2 1 355.319 -1.282 20 0 FAADML Cn1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(F)F)c(=O)n(C)c1=O ZINC000570548073 482721690 /nfs/dbraw/zinc/72/16/90/482721690.db2.gz SWSVSULOVVVDPG-ZCFIWIBFSA-N -2 1 355.319 -1.282 20 0 FAADML CS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC[C@@H](O)C(=O)[O-])c(F)c1 ZINC000573022226 483662451 /nfs/dbraw/zinc/66/24/51/483662451.db2.gz XEOFMUZTKBOCMC-MRVPVSSYSA-N -2 1 356.353 -1.079 20 0 FAADML Cn1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2ccncc2)c(=O)n(C)c1=O ZINC000580659661 483672853 /nfs/dbraw/zinc/67/28/53/483672853.db2.gz RYNGCWPKRBLTHR-JTQLQIEISA-N -2 1 368.371 -1.027 20 0 FAADML Cn1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2ccncc2)c(=O)n(C)c1=O ZINC000580659665 483672333 /nfs/dbraw/zinc/67/23/33/483672333.db2.gz RYNGCWPKRBLTHR-SNVBAGLBSA-N -2 1 368.371 -1.027 20 0 FAADML C[C@H](CSCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000592449411 482811929 /nfs/dbraw/zinc/81/19/29/482811929.db2.gz VFWPFJYZVATJAV-MRVPVSSYSA-N -2 1 365.433 -1.184 20 0 FAADML C[C@@H](CSCC[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)C(=O)[O-] ZINC000592449420 482811861 /nfs/dbraw/zinc/81/18/61/482811861.db2.gz VFWPFJYZVATJAV-QMMMGPOBSA-N -2 1 365.433 -1.184 20 0 FAADML CCOC(=O)c1nc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c[n-]1 ZINC000618906927 483083130 /nfs/dbraw/zinc/08/31/30/483083130.db2.gz AQYLMHIEXGGLRL-UHFFFAOYSA-N -2 1 357.348 -1.215 20 0 FAADML Cn1cc(S(=O)(=O)[N-]Cc2ncc(C(=O)[O-])cn2)c(=O)n(C)c1=O ZINC000629314630 483370195 /nfs/dbraw/zinc/37/01/95/483370195.db2.gz UWEUSKAFJWSXLA-UHFFFAOYSA-N -2 1 355.332 -1.949 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N(CC(=O)[O-])CC2CC2)o1 ZINC000653325955 482816568 /nfs/dbraw/zinc/81/65/68/482816568.db2.gz NPBUANXQIVPLSZ-UHFFFAOYSA-N -2 1 359.360 -1.020 20 0 FAADML Cn1cc(S(=O)(=O)[N-][C@@H](Cc2ccncc2)C(=O)[O-])c(=O)n(C)c1=O ZINC000653497169 483266409 /nfs/dbraw/zinc/26/64/09/483266409.db2.gz ULVQOCGDYHOGEE-JTQLQIEISA-N -2 1 368.371 -1.547 20 0 FAADML Cn1cc(S(=O)(=O)[N-][C@H](Cc2ccncc2)C(=O)[O-])c(=O)n(C)c1=O ZINC000653497170 483266806 /nfs/dbraw/zinc/26/68/06/483266806.db2.gz ULVQOCGDYHOGEE-SNVBAGLBSA-N -2 1 368.371 -1.547 20 0 FAADML COC(=O)C[C@@H]([N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)OC ZINC000737592799 600647264 /nfs/dbraw/zinc/64/72/64/600647264.db2.gz RJLXOADKFIWTQX-SECBINFHSA-N -2 1 352.365 -1.278 20 0 FAADML COC(=O)C[C@H]([N-]S(=O)(=O)N1CCC(C(=O)[O-])CC1)C(=O)OC ZINC000737592800 600647249 /nfs/dbraw/zinc/64/72/49/600647249.db2.gz RJLXOADKFIWTQX-VIFPVBQESA-N -2 1 352.365 -1.278 20 0 FAADML O=C([O-])CNC(=O)CNS(=O)(=O)c1cccc(F)c1-c1nn[n-]n1 ZINC000738207894 598841993 /nfs/dbraw/zinc/84/19/93/598841993.db2.gz JLGCGWJHPHVFPS-UHFFFAOYSA-N -2 1 358.311 -1.515 20 0 FAADML O=C([O-])CNC(=O)CNS(=O)(=O)c1cccc(F)c1-c1nnn[n-]1 ZINC000738207894 598841991 /nfs/dbraw/zinc/84/19/91/598841991.db2.gz JLGCGWJHPHVFPS-UHFFFAOYSA-N -2 1 358.311 -1.515 20 0 FAADML O=C([O-])CNC(=O)CNS(=O)(=O)c1cccc(Cl)c1-c1nn[n-]n1 ZINC000738212580 598867754 /nfs/dbraw/zinc/86/77/54/598867754.db2.gz XEMSCTRFKILQIW-UHFFFAOYSA-N -2 1 374.766 -1.001 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)[O-])CC2)o1 ZINC000738439974 602973781 /nfs/dbraw/zinc/97/37/81/602973781.db2.gz JVLMSWHEXKVKPL-UHFFFAOYSA-N -2 1 374.375 -1.085 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC000738440978 600924819 /nfs/dbraw/zinc/92/48/19/600924819.db2.gz PDFGCSPTKOCRHQ-MRVPVSSYSA-N -2 1 359.360 -1.020 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)o1 ZINC000738440979 600925237 /nfs/dbraw/zinc/92/52/37/600925237.db2.gz PDFGCSPTKOCRHQ-QMMMGPOBSA-N -2 1 359.360 -1.020 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](NC(=O)[O-])C2)o1 ZINC000738441992 603687186 /nfs/dbraw/zinc/68/71/86/603687186.db2.gz VEBPUCAUWKUKCX-MRVPVSSYSA-N -2 1 374.375 -1.085 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](NC(=O)[O-])C2)o1 ZINC000738441994 603687614 /nfs/dbraw/zinc/68/76/14/603687614.db2.gz VEBPUCAUWKUKCX-QMMMGPOBSA-N -2 1 374.375 -1.085 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[O-])CC2)o1 ZINC000738442252 602973395 /nfs/dbraw/zinc/97/33/95/602973395.db2.gz XGETWMCDVDKSFV-UHFFFAOYSA-N -2 1 360.348 -1.521 20 0 FAADML CC(C)(CNC(=O)[O-])NC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000738753045 603093997 /nfs/dbraw/zinc/09/39/97/603093997.db2.gz XJYSPQZPSFNQDN-UHFFFAOYSA-N -2 1 362.364 -1.181 20 0 FAADML Cn1c(C(=O)Nc2nc(CC(=O)[O-])n[n-]2)cc2c1n(C)c(=O)n(C)c2=O ZINC000739004903 600179405 /nfs/dbraw/zinc/17/94/05/600179405.db2.gz NPKGKPLLLLQCEU-UHFFFAOYSA-N -2 1 361.318 -1.427 20 0 FAADML CCN(CCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(=O)[O-] ZINC000739434013 603092077 /nfs/dbraw/zinc/09/20/77/603092077.db2.gz KSXWZQINPYUEAY-UHFFFAOYSA-N -2 1 362.364 -1.227 20 0 FAADML CN(CCN1CCN(C(=O)[O-])CC1)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000739686117 602576222 /nfs/dbraw/zinc/57/62/22/602576222.db2.gz XYGOMLZPHBOBCZ-UHFFFAOYSA-N -2 1 353.379 -1.319 20 0 FAADML O=C([O-])CN(CCN1CCOCC1)C(=O)CCn1cc[n-]c(=O)c1=O ZINC000739785087 600590817 /nfs/dbraw/zinc/59/08/17/600590817.db2.gz JTWSMTAJBNXEOH-UHFFFAOYSA-N -2 1 354.363 -1.828 20 0 FAADML Cn1cc(S(=O)(=O)[N-][C@](C)(CNC(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000740288632 602709227 /nfs/dbraw/zinc/70/92/27/602709227.db2.gz DNHFOMZINHKASD-CYBMUJFWSA-N -2 1 360.392 -1.201 20 0 FAADML Cn1cc(S(=O)(=O)[N-][C@@](C)(CNC(=O)[O-])C2CC2)c(=O)n(C)c1=O ZINC000740288633 602709112 /nfs/dbraw/zinc/70/91/12/602709112.db2.gz DNHFOMZINHKASD-ZDUSSCGKSA-N -2 1 360.392 -1.201 20 0 FAADML Cn1cc(S(=O)(=O)[N-]C2(CNC(=O)[O-])CCCC2)c(=O)n(C)c1=O ZINC000740288640 602564498 /nfs/dbraw/zinc/56/44/98/602564498.db2.gz DVBYBVZSVXUEBA-UHFFFAOYSA-N -2 1 360.392 -1.057 20 0 FAADML Cn1cc(S(=O)(=O)[N-]CC2CCN(C(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000740289175 601988157 /nfs/dbraw/zinc/98/81/57/601988157.db2.gz GUDZUEPWNPNGSF-UHFFFAOYSA-N -2 1 360.392 -1.248 20 0 FAADML Cn1cc(S(=O)(=O)[N-]C2CCC(NC(=O)[O-])CC2)c(=O)n(C)c1=O ZINC000740289991 603086715 /nfs/dbraw/zinc/08/67/15/603086715.db2.gz MIEUOSSLHNJBFG-UHFFFAOYSA-N -2 1 360.392 -1.059 20 0 FAADML Cn1cc(S(=O)(=O)[N-][C@@H]2CCCCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740290623 602866737 /nfs/dbraw/zinc/86/67/37/602866737.db2.gz QQQMEXWHQHTLFE-SECBINFHSA-N -2 1 360.392 -1.105 20 0 FAADML Cn1cc(S(=O)(=O)[N-][C@H]2CCCCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740290624 602866805 /nfs/dbraw/zinc/86/68/05/602866805.db2.gz QQQMEXWHQHTLFE-VIFPVBQESA-N -2 1 360.392 -1.105 20 0 FAADML Cn1cc(S(=O)(=O)[N-]CC[C@@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740290837 602456014 /nfs/dbraw/zinc/45/60/14/602456014.db2.gz RAUWJSPBLJRDAC-SECBINFHSA-N -2 1 360.392 -1.248 20 0 FAADML Cn1cc(S(=O)(=O)[N-]CC[C@H]2CCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740290840 602455930 /nfs/dbraw/zinc/45/59/30/602455930.db2.gz RAUWJSPBLJRDAC-VIFPVBQESA-N -2 1 360.392 -1.248 20 0 FAADML Cn1cc(S(=O)(=O)[N-]C[C@H]2CCCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740291603 601989921 /nfs/dbraw/zinc/98/99/21/601989921.db2.gz WMHRKECMMLFQOU-SECBINFHSA-N -2 1 360.392 -1.248 20 0 FAADML Cn1cc(S(=O)(=O)[N-]C[C@@H]2CCCN(C(=O)[O-])C2)c(=O)n(C)c1=O ZINC000740291605 601989937 /nfs/dbraw/zinc/98/99/37/601989937.db2.gz WMHRKECMMLFQOU-VIFPVBQESA-N -2 1 360.392 -1.248 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(NC(=O)[O-])CC2)o1 ZINC000740333177 602974605 /nfs/dbraw/zinc/97/46/05/602974605.db2.gz BSNUVQNKUBADOO-UHFFFAOYSA-N -2 1 374.375 -1.085 20 0 FAADML O=C([O-])N1CCN(C(=O)CNC(=O)CCn2cc[n-]c(=O)c2=O)CC1 ZINC000740365433 602188097 /nfs/dbraw/zinc/18/80/97/602188097.db2.gz JLHGRHNOEGYBKC-UHFFFAOYSA-N -2 1 353.335 -2.135 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)o1 ZINC000819117053 597376317 /nfs/dbraw/zinc/37/63/17/597376317.db2.gz UTKLMHMISSGGDO-MRVPVSSYSA-N -2 1 361.332 -2.031 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](C(=O)[O-])C2)o1 ZINC000819117054 597376353 /nfs/dbraw/zinc/37/63/53/597376353.db2.gz UTKLMHMISSGGDO-QMMMGPOBSA-N -2 1 361.332 -2.031 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)[O-])CC2)o1 ZINC000819117098 597359296 /nfs/dbraw/zinc/35/92/96/597359296.db2.gz XMRBSTCSPJGLRD-UHFFFAOYSA-N -2 1 359.360 -1.020 20 0 FAADML C[C@@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000820777377 606854907 /nfs/dbraw/zinc/85/49/07/606854907.db2.gz QXAGAWUXRKDWFW-MRVPVSSYSA-N -2 1 356.350 -1.430 20 0 FAADML C[C@@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000820777377 606854906 /nfs/dbraw/zinc/85/49/06/606854906.db2.gz QXAGAWUXRKDWFW-MRVPVSSYSA-N -2 1 356.350 -1.430 20 0 FAADML C[C@H]1CN(c2nccnc2-c2nn[n-]n2)CCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000820777384 606854937 /nfs/dbraw/zinc/85/49/37/606854937.db2.gz QXAGAWUXRKDWFW-QMMMGPOBSA-N -2 1 356.350 -1.430 20 0 FAADML C[C@H]1CN(c2nccnc2-c2nnn[n-]2)CCN1C(=O)c1cc(=O)[nH][n-]1 ZINC000820777384 606854936 /nfs/dbraw/zinc/85/49/36/606854936.db2.gz QXAGAWUXRKDWFW-QMMMGPOBSA-N -2 1 356.350 -1.430 20 0 FAADML COC(=O)Cn1cc(S(=O)(=O)[N-]c2nn(C)cc2-c2nn[n-]n2)cn1 ZINC000821663597 606708339 /nfs/dbraw/zinc/70/83/39/606708339.db2.gz FSTXKCSZSFRFTK-UHFFFAOYSA-N -2 1 367.351 -1.230 20 0 FAADML COC(=O)Cn1cnc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)nc2)n1 ZINC000821663931 599233056 /nfs/dbraw/zinc/23/30/56/599233056.db2.gz UMXSNGMJJQJANP-UHFFFAOYSA-N -2 1 365.335 -1.173 20 0 FAADML COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nn[n-]n2)nc1 ZINC000821692959 607158128 /nfs/dbraw/zinc/15/81/28/607158128.db2.gz LDWPRVAEYMCAJG-UHFFFAOYSA-N -2 1 356.364 -1.016 20 0 FAADML COCCOCCS(=O)(=O)[N-]C(=O)c1ccc(-c2nnn[n-]2)nc1 ZINC000821692959 607158127 /nfs/dbraw/zinc/15/81/27/607158127.db2.gz LDWPRVAEYMCAJG-UHFFFAOYSA-N -2 1 356.364 -1.016 20 0 FAADML Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)n1 ZINC000822623289 606710161 /nfs/dbraw/zinc/71/01/61/606710161.db2.gz SMPNQCJMVPJBEU-UHFFFAOYSA-N -2 1 351.352 -1.162 20 0 FAADML O=C([O-])CNC(=O)CNS(=O)(=O)c1ccc(F)cc1-c1nn[n-]n1 ZINC000823387718 606764112 /nfs/dbraw/zinc/76/41/12/606764112.db2.gz VSHMVNPJLYHPRI-UHFFFAOYSA-N -2 1 358.311 -1.515 20 0 FAADML CC(C)(CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)NC(=O)[O-] ZINC000824002184 603869995 /nfs/dbraw/zinc/86/99/95/603869995.db2.gz YZLKDFVWICOCGV-UHFFFAOYSA-N -2 1 362.364 -1.181 20 0 FAADML C[C@H](CCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)NC(=O)[O-] ZINC000824801811 603721095 /nfs/dbraw/zinc/72/10/95/603721095.db2.gz FWQXPQSAONMSJI-SSDOTTSWSA-N -2 1 362.364 -1.181 20 0 FAADML C[C@@H](CCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)NC(=O)[O-] ZINC000824801817 603721143 /nfs/dbraw/zinc/72/11/43/603721143.db2.gz FWQXPQSAONMSJI-ZETCQYMHSA-N -2 1 362.364 -1.181 20 0 FAADML C[C@H](CNC(=O)[O-])N(C)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000824966566 658640485 /nfs/dbraw/zinc/64/04/85/658640485.db2.gz IFHCTXFLNVNWBU-SSDOTTSWSA-N -2 1 362.364 -1.229 20 0 FAADML C[C@@H](CNC(=O)[O-])N(C)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000824966567 658640233 /nfs/dbraw/zinc/64/02/33/658640233.db2.gz IFHCTXFLNVNWBU-ZETCQYMHSA-N -2 1 362.364 -1.229 20 0 FAADML C[C@@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000826027249 603573130 /nfs/dbraw/zinc/57/31/30/603573130.db2.gz RZXZIXJASJEPAD-MRVPVSSYSA-N -2 1 374.375 -1.133 20 0 FAADML C[C@H]1CN(C(=O)[O-])CCN1C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000826027255 603572818 /nfs/dbraw/zinc/57/28/18/603572818.db2.gz RZXZIXJASJEPAD-QMMMGPOBSA-N -2 1 374.375 -1.133 20 0 FAADML C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CCN1C(=O)[O-] ZINC000826034558 603840197 /nfs/dbraw/zinc/84/01/97/603840197.db2.gz KLNVIRFLMAQILX-MRVPVSSYSA-N -2 1 374.375 -1.133 20 0 FAADML C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)CCN1C(=O)[O-] ZINC000826034559 603840158 /nfs/dbraw/zinc/84/01/58/603840158.db2.gz KLNVIRFLMAQILX-QMMMGPOBSA-N -2 1 374.375 -1.133 20 0 FAADML Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n1 ZINC000826357818 609161544 /nfs/dbraw/zinc/16/15/44/609161544.db2.gz RZYNTLZDDVPJCE-UHFFFAOYSA-N -2 1 367.351 -2.202 20 0 FAADML Cn1cc(S(=O)(=O)[N-]c2n[nH]cc2-c2nn[n-]n2)c(=O)n(C)c1=O ZINC000826362098 609161567 /nfs/dbraw/zinc/16/15/67/609161567.db2.gz CSCPZGUUOOPEBW-UHFFFAOYSA-N -2 1 353.324 -2.212 20 0 FAADML Cn1cc(S(=O)(=O)[N-]c2ncc(-c3nn[n-]n3)s2)c(=O)n(C)c1=O ZINC000826362321 609161338 /nfs/dbraw/zinc/16/13/38/609161338.db2.gz NDCQGOPDZKZNNL-UHFFFAOYSA-N -2 1 370.376 -1.479 20 0 FAADML CN(C(=O)[O-])[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000827871245 603514987 /nfs/dbraw/zinc/51/49/87/603514987.db2.gz MFJZHTAGGLGBQW-MRVPVSSYSA-N -2 1 374.375 -1.133 20 0 FAADML CN(C(=O)[O-])[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000827871246 603514766 /nfs/dbraw/zinc/51/47/66/603514766.db2.gz MFJZHTAGGLGBQW-QMMMGPOBSA-N -2 1 374.375 -1.133 20 0 FAADML CN(C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000827938645 603872623 /nfs/dbraw/zinc/87/26/23/603872623.db2.gz NYLFKVAJAGVMCH-MRVPVSSYSA-N -2 1 374.375 -1.133 20 0 FAADML CN(C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)[C@H]1CCN(C(=O)[O-])C1 ZINC000827938646 603872586 /nfs/dbraw/zinc/87/25/86/603872586.db2.gz NYLFKVAJAGVMCH-QMMMGPOBSA-N -2 1 374.375 -1.133 20 0 FAADML C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000828016658 602031048 /nfs/dbraw/zinc/03/10/48/602031048.db2.gz ORFNTYCRHRODOK-CYBMUJFWSA-N -2 1 359.360 -1.020 20 0 FAADML C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C1 ZINC000828016659 602031302 /nfs/dbraw/zinc/03/13/02/602031302.db2.gz ORFNTYCRHRODOK-ZDUSSCGKSA-N -2 1 359.360 -1.020 20 0 FAADML CN(CCCNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(=O)[O-] ZINC000828302478 603672950 /nfs/dbraw/zinc/67/29/50/603672950.db2.gz PMGRCMNQZWDNLQ-UHFFFAOYSA-N -2 1 362.364 -1.227 20 0 FAADML CN(CCCNC(=O)[O-])C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000828302649 603819568 /nfs/dbraw/zinc/81/95/68/603819568.db2.gz RWLYQLDOOLBHIU-UHFFFAOYSA-N -2 1 362.364 -1.227 20 0 FAADML C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C[C@H]1C(=O)[O-] ZINC000828393440 601757278 /nfs/dbraw/zinc/75/72/78/601757278.db2.gz IXBJERXMQWNQCL-HTQZYQBOSA-N -2 1 359.360 -1.164 20 0 FAADML C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C[C@H]1C(=O)[O-] ZINC000828393441 601757429 /nfs/dbraw/zinc/75/74/29/601757429.db2.gz IXBJERXMQWNQCL-JGVFFNPUSA-N -2 1 359.360 -1.164 20 0 FAADML C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C[C@@H]1C(=O)[O-] ZINC000828393443 601757446 /nfs/dbraw/zinc/75/74/46/601757446.db2.gz IXBJERXMQWNQCL-SFYZADRCSA-N -2 1 359.360 -1.164 20 0 FAADML C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)[N-]CC(N)=O)o2)C[C@@H]1C(=O)[O-] ZINC000828393444 601757215 /nfs/dbraw/zinc/75/72/15/601757215.db2.gz IXBJERXMQWNQCL-YUMQZZPRSA-N -2 1 359.360 -1.164 20 0 FAADML Cn1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2CNC(=O)[O-])c(=O)n(C)c1=O ZINC000831013867 603130201 /nfs/dbraw/zinc/13/02/01/603130201.db2.gz CIWNFVBWPQTCMW-BDAKNGLRSA-N -2 1 360.392 -1.201 20 0 FAADML Cn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CNC(=O)[O-])c(=O)n(C)c1=O ZINC000831013868 603129850 /nfs/dbraw/zinc/12/98/50/603129850.db2.gz CIWNFVBWPQTCMW-DTWKUNHWSA-N -2 1 360.392 -1.201 20 0 FAADML Cn1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2CNC(=O)[O-])c(=O)n(C)c1=O ZINC000831013869 603129858 /nfs/dbraw/zinc/12/98/58/603129858.db2.gz CIWNFVBWPQTCMW-IUCAKERBSA-N -2 1 360.392 -1.201 20 0 FAADML Cn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2CNC(=O)[O-])c(=O)n(C)c1=O ZINC000831013870 603130073 /nfs/dbraw/zinc/13/00/73/603130073.db2.gz CIWNFVBWPQTCMW-RKDXNWHRSA-N -2 1 360.392 -1.201 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](CNC(=O)[O-])C2)o1 ZINC000831189770 603729849 /nfs/dbraw/zinc/72/98/49/603729849.db2.gz FXOJECFMIYPDKX-MRVPVSSYSA-N -2 1 374.375 -1.227 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](CNC(=O)[O-])C2)o1 ZINC000831189771 603729607 /nfs/dbraw/zinc/72/96/07/603729607.db2.gz FXOJECFMIYPDKX-QMMMGPOBSA-N -2 1 374.375 -1.227 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCCN(C(=O)[O-])C2CC2)o1 ZINC000831189795 603739347 /nfs/dbraw/zinc/73/93/47/603739347.db2.gz GVURSNKXGXTVLH-UHFFFAOYSA-N -2 1 374.375 -1.085 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCCN(C(=O)[O-])CC2)o1 ZINC000831190010 603683036 /nfs/dbraw/zinc/68/30/36/603683036.db2.gz KHPNCWVNDMTAED-UHFFFAOYSA-N -2 1 374.375 -1.131 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](NC(=O)[O-])C2)o1 ZINC000831190048 604465102 /nfs/dbraw/zinc/46/51/02/604465102.db2.gz LJHGUDQKPVZRQF-SSDOTTSWSA-N -2 1 360.348 -1.475 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CC[C@H](NC(=O)[O-])C2)o1 ZINC000831190049 605131855 /nfs/dbraw/zinc/13/18/55/605131855.db2.gz LJHGUDQKPVZRQF-ZETCQYMHSA-N -2 1 360.348 -1.475 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2CNC(=O)[O-])o1 ZINC000831190052 603862991 /nfs/dbraw/zinc/86/29/91/603862991.db2.gz LQWTUADVBFXURJ-MRVPVSSYSA-N -2 1 374.375 -1.085 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2CNC(=O)[O-])o1 ZINC000831190053 603862946 /nfs/dbraw/zinc/86/29/46/603862946.db2.gz LQWTUADVBFXURJ-QMMMGPOBSA-N -2 1 374.375 -1.085 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)[O-])C2)o1 ZINC000831190226 603782260 /nfs/dbraw/zinc/78/22/60/603782260.db2.gz QEBUEVRZVVMVNZ-SSDOTTSWSA-N -2 1 360.348 -1.475 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)[O-])C2)o1 ZINC000831190227 603782528 /nfs/dbraw/zinc/78/25/28/603782528.db2.gz QEBUEVRZVVMVNZ-ZETCQYMHSA-N -2 1 360.348 -1.475 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN2C(=O)[O-])o1 ZINC000831190279 603770648 /nfs/dbraw/zinc/77/06/48/603770648.db2.gz RYZUDXQKNBBVOS-MRVPVSSYSA-N -2 1 374.375 -1.085 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN2C(=O)[O-])o1 ZINC000831190280 603770289 /nfs/dbraw/zinc/77/02/89/603770289.db2.gz RYZUDXQKNBBVOS-QMMMGPOBSA-N -2 1 374.375 -1.085 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(C(=O)[O-])C2)o1 ZINC000831190295 603799587 /nfs/dbraw/zinc/79/95/87/603799587.db2.gz SIXWHWSDTQHARR-MRVPVSSYSA-N -2 1 374.375 -1.085 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(C(=O)[O-])C2)o1 ZINC000831190296 605716946 /nfs/dbraw/zinc/71/69/46/605716946.db2.gz SIXWHWSDTQHARR-QMMMGPOBSA-N -2 1 374.375 -1.085 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](CNC(=O)[O-])C2CC2)o1 ZINC000831190307 603834270 /nfs/dbraw/zinc/83/42/70/603834270.db2.gz SWIOFJBNVQJZJT-MRVPVSSYSA-N -2 1 374.375 -1.181 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H](CNC(=O)[O-])C2CC2)o1 ZINC000831190308 603834313 /nfs/dbraw/zinc/83/43/13/603834313.db2.gz SWIOFJBNVQJZJT-QMMMGPOBSA-N -2 1 374.375 -1.181 20 0 FAADML Cn1cc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCOCC2)c(=O)n(C)c1=O ZINC000833053248 601270137 /nfs/dbraw/zinc/27/01/37/601270137.db2.gz ARQSMKYFRDVCLR-UHFFFAOYSA-N -2 1 361.376 -1.614 20 0 FAADML COC(=O)[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000833708717 605768015 /nfs/dbraw/zinc/76/80/15/605768015.db2.gz RCWKUFHQFYQICR-NXEZZACHSA-N -2 1 353.331 -1.209 20 0 FAADML COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000833708718 605768193 /nfs/dbraw/zinc/76/81/93/605768193.db2.gz RCWKUFHQFYQICR-UWVGGRQHSA-N -2 1 353.331 -1.209 20 0 FAADML COC(=O)[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000833708719 605767969 /nfs/dbraw/zinc/76/79/69/605767969.db2.gz RCWKUFHQFYQICR-VHSXEESVSA-N -2 1 353.331 -1.209 20 0 FAADML COC(=O)[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)CCn1cc[n-]c(=O)c1=O ZINC000833708720 605768329 /nfs/dbraw/zinc/76/83/29/605768329.db2.gz RCWKUFHQFYQICR-ZJUUUORDSA-N -2 1 353.331 -1.209 20 0 FAADML C[C@@H](CNC(=O)[O-])CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000833807046 605826901 /nfs/dbraw/zinc/82/69/01/605826901.db2.gz QZBQWFYKINZDBK-SSDOTTSWSA-N -2 1 362.364 -1.323 20 0 FAADML C[C@H](CNC(=O)[O-])CNC(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1 ZINC000833807054 605827081 /nfs/dbraw/zinc/82/70/81/605827081.db2.gz QZBQWFYKINZDBK-ZETCQYMHSA-N -2 1 362.364 -1.323 20 0 FAADML CN(CCN(C)C(=O)c1ccc(S(=O)(=O)[N-]CC(N)=O)o1)C(=O)[O-] ZINC000833871989 605547574 /nfs/dbraw/zinc/54/75/74/605547574.db2.gz ATCGQHXAIOECIW-UHFFFAOYSA-N -2 1 362.364 -1.275 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NCC2CN(C(=O)[O-])C2)o1 ZINC000833984552 605782095 /nfs/dbraw/zinc/78/20/95/605782095.db2.gz FVPZFGOPWFYHFK-UHFFFAOYSA-N -2 1 360.348 -1.617 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](NC(=O)[O-])C2CC2)o1 ZINC000833984829 605993255 /nfs/dbraw/zinc/99/32/55/605993255.db2.gz IYKJBSXXQCMWPI-MRVPVSSYSA-N -2 1 374.375 -1.181 20 0 FAADML NC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](NC(=O)[O-])C2CC2)o1 ZINC000833984831 605993241 /nfs/dbraw/zinc/99/32/41/605993241.db2.gz IYKJBSXXQCMWPI-QMMMGPOBSA-N -2 1 374.375 -1.181 20 0 FAADML Cn1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(O)cc2)c(=O)n(C)c1=O ZINC000844205698 658677648 /nfs/dbraw/zinc/67/76/48/658677648.db2.gz RUGZGMVXFSWLPH-NSHDSACASA-N -2 1 369.355 -1.106 20 0 FAADML O=C([O-])CNC(=O)CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852734478 658714721 /nfs/dbraw/zinc/71/47/21/658714721.db2.gz BLUCOCJJEGKCGV-HZGVNTEJSA-N -3 1 355.269 -1.217 20 0 FAADML O=C([O-])CNC(=O)CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@@H]1C(=O)[O-] ZINC000852734479 658714918 /nfs/dbraw/zinc/71/49/18/658714918.db2.gz BLUCOCJJEGKCGV-IMTBSYHQSA-N -3 1 355.269 -1.217 20 0 FAADML O=C([O-])CNC(=O)CN1CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852734481 658714528 /nfs/dbraw/zinc/71/45/28/658714528.db2.gz BLUCOCJJEGKCGV-MUWHJKNJSA-N -3 1 355.269 -1.217 20 0 FAADML O=C([O-])CNC(=O)CN1CCC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1C(=O)[O-] ZINC000852734482 658714672 /nfs/dbraw/zinc/71/46/72/658714672.db2.gz BLUCOCJJEGKCGV-RCOVLWMOSA-N -3 1 355.269 -1.217 20 0 FAADML Cn1[n-]c(CN2C[C@@H](O)[C@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)C2)nc1=O ZINC001077310090 679588140 /nfs/dbraw/zinc/58/81/40/679588140.db2.gz WELXABNTMGDNFX-PHDIDXHHSA-N -2 1 352.311 -3.320 20 0 FAADML C[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001080051393 679986067 /nfs/dbraw/zinc/98/60/67/679986067.db2.gz SWOJBEKIBLCGHG-RNFRBKRXSA-N -2 1 350.339 -2.045 20 0 FAADML CO[C@@H]1CN(Cc2nc(=O)n(C)[n-]2)C[C@H]1NC(=O)c1[nH]nc(C)c1[O-] ZINC001081544363 680005610 /nfs/dbraw/zinc/00/56/10/680005610.db2.gz ZDJRQOQSMJTISU-RKDXNWHRSA-N -2 1 351.367 -1.525 20 0 FAADML Cn1[n-]c(CN2C[C@@H](NC(=O)c3n[nH]c(=O)[n-]c3=O)[C@@H](O)C2)nc1=O ZINC001083606912 679599509 /nfs/dbraw/zinc/59/95/09/679599509.db2.gz WELXABNTMGDNFX-RITPCOANSA-N -2 1 352.311 -3.320 20 0 FAADML O=C(N[C@@H]1CCCC[C@H]1NCc1n[nH]c(=O)[n-]1)c1n[nH]c(=O)[n-]c1=O ZINC001085260501 790647134 /nfs/dbraw/zinc/64/71/34/790647134.db2.gz PVOCRGATYZBFKH-RNFRBKRXSA-N -2 1 350.339 -1.063 20 0 FAADML C[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@H]1CNC(=O)c1n[nH]c(=O)[n-]c1=O ZINC001092783296 790932953 /nfs/dbraw/zinc/93/29/53/790932953.db2.gz ARESHNXNGZESIX-RNFRBKRXSA-N -2 1 350.339 -1.396 20 0 FAADML O=C(c1cc(S(=O)(=O)[O-])ccc1[O-])N1CC(N2CCNC(=O)C2)C1 ZINC001148919161 790914047 /nfs/dbraw/zinc/91/40/47/790914047.db2.gz PSTWLCKUNLGVOQ-UHFFFAOYSA-N -2 1 355.372 -1.105 20 0 FAADML O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CCNC(=O)Cn1nn[n-]c1=S ZINC001177742049 791012740 /nfs/dbraw/zinc/01/27/40/791012740.db2.gz DMOFNJVZWFAEBI-QMMMGPOBSA-N -2 1 368.379 -1.997 20 0 FAADML C[C@H]1[C@H](NC(=O)C(F)(F)C(F)(F)C(=O)[O-])C(=O)N1S(=O)(=O)[O-] ZINC001180175561 791021992 /nfs/dbraw/zinc/02/19/92/791021992.db2.gz AJIOTRZWOAEIDJ-HRFVKAFMSA-N -2 1 352.218 -1.140 20 0 FAADML COc1ccnc(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)c1[O-] ZINC001193524487 792150560 /nfs/dbraw/zinc/15/05/60/792150560.db2.gz CBMIVKBNMMNMIR-UHFFFAOYSA-N -2 1 372.319 -1.494 20 0 FAADML Cn1[n-]c(C(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1=O ZINC001194212618 792188751 /nfs/dbraw/zinc/18/87/51/792188751.db2.gz VGCOLRIADUDKNG-JTQLQIEISA-N -2 1 350.335 -1.219 20 0 FAADML Cc1ccc([O-])c(C(=O)n2c(N)c(N)c(OS(=O)(=O)[O-])nc2=N)n1 ZINC001195319569 792245165 /nfs/dbraw/zinc/24/51/65/792245165.db2.gz UCZKAKUITHLIMT-UHFFFAOYSA-N -2 1 356.320 -1.194 20 0 FAADML C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)NCCOP(=O)([O-])[O-] ZINC001220221132 793681340 /nfs/dbraw/zinc/68/13/40/793681340.db2.gz RPRKGURNLCRZBA-IUCAKERBSA-N -2 1 366.311 -2.334 20 0 FAADML CC(=O)Nc1nc2nc[nH]c2c(OC(=O)[C@H](O)COP(=O)([O-])[O-])n1 ZINC001225833098 793909268 /nfs/dbraw/zinc/90/92/68/793909268.db2.gz KNLRFDSTKLVVOZ-RXMQYKEDSA-N -2 1 361.207 -1.313 20 0 FAADML CCOC(=O)c1cnc(=O)[n-]c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225900918 793909365 /nfs/dbraw/zinc/90/93/65/793909365.db2.gz KHBXXELRPUETDJ-SVGQVSJJSA-N -3 1 358.259 -1.199 20 0 FAADML CCOC(=O)c1cnc(=O)[n-]c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225900927 793909448 /nfs/dbraw/zinc/90/94/48/793909448.db2.gz KHBXXELRPUETDJ-XNCJUZBTSA-N -3 1 358.259 -1.199 20 0 FAADML CCOC(=O)c1cnc(=O)[n-]c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001225900928 793909250 /nfs/dbraw/zinc/90/92/50/793909250.db2.gz KHBXXELRPUETDJ-XRGYYRRGSA-N -3 1 358.259 -1.199 20 0 FAADML CCOC(=O)c1cnc(=O)[n-]c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001225900929 793909547 /nfs/dbraw/zinc/90/95/47/793909547.db2.gz KHBXXELRPUETDJ-YLWLKBPMSA-N -3 1 358.259 -1.199 20 0 FAADML CCOC(=O)c1cnc(=O)[n-]c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001225901489 793910459 /nfs/dbraw/zinc/91/04/59/793910459.db2.gz QCLAWYYZYUKIFQ-ZCFIWIBFSA-N -3 1 352.192 -1.266 20 0 FAADML O=C(Oc1cc(=O)[n-]c(N2CCOCC2)n1)[C@H](O)COP(=O)([O-])[O-] ZINC001226729718 793914506 /nfs/dbraw/zinc/91/45/06/793914506.db2.gz ZTVDBLGZTOFFPP-SSDOTTSWSA-N -3 1 365.235 -1.606 20 0 FAADML COC(=O)CN1C[C@H](Oc2[n-]c(=O)nc3c(=O)[n-]c(=O)[nH]c23)CC1=O ZINC001226888634 793914272 /nfs/dbraw/zinc/91/42/72/793914272.db2.gz SULHLUWOFBEMNC-RXMQYKEDSA-N -2 1 351.275 -1.311 20 0 FAADML COC(=O)CN1C[C@@H](Oc2[n-]c(=O)nc3c(=O)[n-]c(=O)[nH]c23)CC1=O ZINC001226888637 793914374 /nfs/dbraw/zinc/91/43/74/793914374.db2.gz SULHLUWOFBEMNC-YFKPBYRVSA-N -2 1 351.275 -1.311 20 0 FAADML COC(=O)c1nc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])n[n-]1 ZINC001228311610 793921414 /nfs/dbraw/zinc/92/14/14/793921414.db2.gz LMPDYJUVXQUPPZ-MRVPVSSYSA-N -2 1 350.353 -1.441 20 0 FAADML COC(=O)c1nnc(O[C@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1 ZINC001228311610 793921410 /nfs/dbraw/zinc/92/14/10/793921410.db2.gz LMPDYJUVXQUPPZ-MRVPVSSYSA-N -2 1 350.353 -1.441 20 0 FAADML COC(=O)c1nc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])n[n-]1 ZINC001228311611 793921363 /nfs/dbraw/zinc/92/13/63/793921363.db2.gz LMPDYJUVXQUPPZ-QMMMGPOBSA-N -2 1 350.353 -1.441 20 0 FAADML COC(=O)c1nnc(O[C@@H](CN2CCOCC2)CS(=O)(=O)[O-])[n-]1 ZINC001228311611 793921358 /nfs/dbraw/zinc/92/13/58/793921358.db2.gz LMPDYJUVXQUPPZ-QMMMGPOBSA-N -2 1 350.353 -1.441 20 0 FAADML Cn1c2[n-]c(OC(=O)[C@H](O)COP(=O)([O-])[O-])nc2c(=O)n(C)c1=O ZINC001229704837 793925760 /nfs/dbraw/zinc/92/57/60/793925760.db2.gz MADRRZJGWXQMBC-SCSAIBSYSA-N -3 1 364.207 -2.664 20 0 FAADML NC(=O)c1nc[n-]c(=O)c1O[C@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001234467920 793948760 /nfs/dbraw/zinc/94/87/60/793948760.db2.gz PDHLZUDAZHJCQU-MRVPVSSYSA-N -2 1 362.364 -1.752 20 0 FAADML NC(=O)c1nc[n-]c(=O)c1O[C@@H](CN1CCOCC1)CS(=O)(=O)[O-] ZINC001234467923 793948514 /nfs/dbraw/zinc/94/85/14/793948514.db2.gz PDHLZUDAZHJCQU-QMMMGPOBSA-N -2 1 362.364 -1.752 20 0 FAADML COC(=O)c1nc(C)[n-]c(=O)c1OC(=O)[C@H](O)COP(=O)([O-])[O-] ZINC001234560850 793948740 /nfs/dbraw/zinc/94/87/40/793948740.db2.gz IOHGFMGZPUAQDA-RXMQYKEDSA-N -3 1 352.192 -1.347 20 0 FAADML COC(=O)c1nc(C)[n-]c(=O)c1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234560927 793948883 /nfs/dbraw/zinc/94/88/83/793948883.db2.gz JLLDXULJDLZNCI-SVGQVSJJSA-N -3 1 358.259 -1.281 20 0 FAADML COC(=O)c1nc(C)[n-]c(=O)c1OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234560941 793949090 /nfs/dbraw/zinc/94/90/90/793949090.db2.gz JLLDXULJDLZNCI-XNCJUZBTSA-N -3 1 358.259 -1.281 20 0 FAADML COC(=O)c1nc(C)[n-]c(=O)c1OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-] ZINC001234560944 793948605 /nfs/dbraw/zinc/94/86/05/793948605.db2.gz JLLDXULJDLZNCI-XRGYYRRGSA-N -3 1 358.259 -1.281 20 0 FAADML COC(=O)c1nc(C)[n-]c(=O)c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-] ZINC001234560947 793948896 /nfs/dbraw/zinc/94/88/96/793948896.db2.gz JLLDXULJDLZNCI-YLWLKBPMSA-N -3 1 358.259 -1.281 20 0 FAADML CC(C)c1nc(C(N)=O)c(OC(=O)[C@H](O)COP(=O)([O-])[O-])c(=O)[n-]1 ZINC001234565510 793949051 /nfs/dbraw/zinc/94/90/51/793949051.db2.gz NJZFJYJQPGJYNP-RXMQYKEDSA-N -3 1 365.235 -1.220 20 0 FAADML CN(C)S(=O)(=O)[N-][C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001251109028 793975653 /nfs/dbraw/zinc/97/56/53/793975653.db2.gz PTTMUVYPNFSZGU-FMDGEEDCSA-N -2 1 366.370 -3.991 20 0 FAADML CN(C)S(=O)(=O)[N-][C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001251109029 793975737 /nfs/dbraw/zinc/97/57/37/793975737.db2.gz PTTMUVYPNFSZGU-PVFLNQBWSA-N -2 1 366.370 -3.991 20 0 FAADML CC(C)S(=O)(=O)[N-][C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001252599569 793985455 /nfs/dbraw/zinc/98/54/55/793985455.db2.gz YVOCMHDKKATFDB-JGKVKWKGSA-N -2 1 365.382 -3.059 20 0 FAADML CC(C)S(=O)(=O)[N-][C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001252599579 793985441 /nfs/dbraw/zinc/98/54/41/793985441.db2.gz YVOCMHDKKATFDB-OKNNCHMLSA-N -2 1 365.382 -3.059 20 0 FAADML CCS(=O)(=O)[N-][C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001253414986 793989167 /nfs/dbraw/zinc/98/91/67/793989167.db2.gz ZQUSYNWQRUUFJI-FMDGEEDCSA-N -2 1 351.355 -3.447 20 0 FAADML CCS(=O)(=O)[N-][C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001253414995 793989181 /nfs/dbraw/zinc/98/91/81/793989181.db2.gz ZQUSYNWQRUUFJI-PVFLNQBWSA-N -2 1 351.355 -3.447 20 0 FAADML CCCS(=O)(=O)[N-][C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O ZINC001253758826 793991590 /nfs/dbraw/zinc/99/15/90/793991590.db2.gz XKRNEFZRASLRCD-JGKVKWKGSA-N -2 1 365.382 -3.057 20 0 FAADML CCCS(=O)(=O)[N-][C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O ZINC001253758844 793991681 /nfs/dbraw/zinc/99/16/81/793991681.db2.gz XKRNEFZRASLRCD-OKNNCHMLSA-N -2 1 365.382 -3.057 20 0 FAADML O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H]([N-]S(=O)(=O)C2CC2)[C@@H](O)[C@@H]1O ZINC001259280969 794026752 /nfs/dbraw/zinc/02/67/52/794026752.db2.gz YDODYSOCCCLDLS-JGKVKWKGSA-N -2 1 363.366 -3.305 20 0 FAADML O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H]([N-]S(=O)(=O)C2CC2)[C@@H](O)[C@@H]1O ZINC001259280970 794026632 /nfs/dbraw/zinc/02/66/32/794026632.db2.gz YDODYSOCCCLDLS-OKNNCHMLSA-N -2 1 363.366 -3.305 20 0 FAADML NC(=O)c1nnc2n1CCN(C(=O)c1cc(S(=O)(=O)[O-])ccc1[O-])C2 ZINC001271397286 790359991 /nfs/dbraw/zinc/35/99/91/790359991.db2.gz WMEYTGDLFCBLAD-UHFFFAOYSA-N -2 1 367.343 -1.015 20 0 FAADML NC(=O)C1=NO[C@@H]2CN(C(=O)c3cc(S(=O)(=O)[O-])ccc3[O-])C[C@H]12 ZINC001271397342 790360791 /nfs/dbraw/zinc/36/07/91/790360791.db2.gz YGEVVYIBVUZPOY-WCBMZHEXSA-N -2 1 355.328 -1.049 20 0 FAADML