smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](C(F)(F)F)S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000547610303 288062362 /nfs/dbraw/zinc/06/23/62/288062362.db2.gz KGWGJXUPBKAJTI-XRGYYRRGSA-N -2 2 321.273 0.422 20 0 DCADLL Cn1cc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(F)c2)cn1 ZINC001592575217 1167566953 /nfs/dbraw/zinc/56/69/53/1167566953.db2.gz YTNQRLQETMPWKK-UHFFFAOYSA-N -2 2 323.313 0.540 20 0 DCADLL O=C([O-])CCN1CC[C@H]([N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)C1=O ZINC001602010665 1168961772 /nfs/dbraw/zinc/96/17/72/1168961772.db2.gz YZTZQYDAHKMKII-UWVGGRQHSA-N -2 2 324.337 0.030 20 0 DCADLL Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CC[C@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC001610475546 1171240937 /nfs/dbraw/zinc/24/09/37/1171240937.db2.gz BBJLZDBZYFYBNQ-ZJUUUORDSA-N -2 2 318.337 0.788 20 0 DCADLL O=C([O-])c1cc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)on1 ZINC000315552690 963913180 /nfs/dbraw/zinc/91/31/80/963913180.db2.gz IMQXAWQODPSNDE-UHFFFAOYSA-N -2 2 315.351 0.278 20 0 DCADLL C[C@@H](C(F)(F)F)S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000547610304 288062258 /nfs/dbraw/zinc/06/22/58/288062258.db2.gz KGWGJXUPBKAJTI-YLWLKBPMSA-N -2 2 321.273 0.422 20 0 DCADLL CC[C@@]1(C)NC(=O)N(NC(=O)c2cc(OC)ccc2O)C1=O ZINC000298073311 415990797 /nfs/dbraw/zinc/99/07/97/415990797.db2.gz LPRIAHPPGSCZJM-CQSZACIVSA-N -2 2 307.306 0.766 20 0 DCADLL Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CC[C@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC001610475544 1171241286 /nfs/dbraw/zinc/24/12/86/1171241286.db2.gz BBJLZDBZYFYBNQ-UWVGGRQHSA-N -2 2 318.337 0.788 20 0 DCADLL C[C@@H](NC(=O)c1coc(-c2nn[nH]n2)c1)C1=NN(C)CC1=O ZINC001603648347 1169342666 /nfs/dbraw/zinc/34/26/66/1169342666.db2.gz FSJMSTUMKZBCQE-ZCFIWIBFSA-N -2 2 303.282 0.390 20 0 DCADLL Cc1[nH]c(=O)[nH]c(=S)c1C(=O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC001546037938 1006764356 /nfs/dbraw/zinc/76/43/56/1006764356.db2.gz VDCYWKYEMZEAKT-ZETCQYMHSA-N -2 2 321.366 0.312 20 0 DCADLL Cc1[nH]c(=O)[nH]c(=S)c1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC001546037938 1006764366 /nfs/dbraw/zinc/76/43/66/1006764366.db2.gz VDCYWKYEMZEAKT-ZETCQYMHSA-N -2 2 321.366 0.312 20 0 DCADLL Cc1[nH]c(=O)[nH]c(=S)c1C(=O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC001546037937 1006763175 /nfs/dbraw/zinc/76/31/75/1006763175.db2.gz VDCYWKYEMZEAKT-SSDOTTSWSA-N -2 2 321.366 0.312 20 0 DCADLL Cc1[nH]c(=O)[nH]c(=S)c1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC001546037937 1006763185 /nfs/dbraw/zinc/76/31/85/1006763185.db2.gz VDCYWKYEMZEAKT-SSDOTTSWSA-N -2 2 321.366 0.312 20 0 DCADLL C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000776437622 668876412 /nfs/dbraw/zinc/87/64/12/668876412.db2.gz ZKWQXEZHZVRDST-RFZPGFLSSA-N -2 2 307.246 0.175 20 0 DCADLL CSc1ncc(C(=O)NC2(c3nn[n-]n3)CCC2)c(=O)[nH]1 ZINC001363278367 960766144 /nfs/dbraw/zinc/76/61/44/960766144.db2.gz RXOMMGJULMUNGY-UHFFFAOYSA-N -2 2 307.339 0.226 20 0 DCADLL C[C@H](C(F)(F)F)S(=O)(=O)NC[C@@](C)(CC(=O)[O-])C(=O)[O-] ZINC000547610301 288062069 /nfs/dbraw/zinc/06/20/69/288062069.db2.gz KGWGJXUPBKAJTI-SVGQVSJJSA-N -2 2 321.273 0.422 20 0 DCADLL O=C(c1ccc(O)c(F)c1)N1CCC(O)(c2nn[nH]n2)CC1 ZINC001412904498 942131986 /nfs/dbraw/zinc/13/19/86/942131986.db2.gz UTJAQOWHFPWAHE-UHFFFAOYSA-N -2 2 307.285 0.168 20 0 DCADLL C[C@H](C(F)(F)F)S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000275057475 545993047 /nfs/dbraw/zinc/99/30/47/545993047.db2.gz YGLHRFHALSIFPU-RFZPGFLSSA-N -2 2 307.246 0.032 20 0 DCADLL CCOc1n[nH]c(NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)n1 ZINC001418981491 1000664060 /nfs/dbraw/zinc/66/40/60/1000664060.db2.gz NITIWBWXNABWJF-LURJTMIESA-N -2 2 323.275 0.845 20 0 DCADLL Cc1cnc(NS(=O)(=O)c2cncc(-c3nn[nH]n3)c2)nc1 ZINC001605980485 1170040237 /nfs/dbraw/zinc/04/02/37/1170040237.db2.gz DRRABMKCONCSRC-UHFFFAOYSA-N -2 2 318.322 0.161 20 0 DCADLL Cc1cc(=O)[nH]c([C@H](C)[N@@H+]2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC001610475545 1171240705 /nfs/dbraw/zinc/24/07/05/1171240705.db2.gz BBJLZDBZYFYBNQ-VHSXEESVSA-N -2 2 318.337 0.788 20 0 DCADLL CS(=O)(=O)Nc1ccc(C(=O)Nc2cc[nH+]cc2O)cc1 ZINC000358323306 271049914 /nfs/dbraw/zinc/04/99/14/271049914.db2.gz AOKVFNGWOGYHNA-UHFFFAOYSA-N -2 2 307.331 0.833 20 0 DCADLL CC(=O)Nc1ccc(F)c(C(=O)NCc2nc(O)cc(=O)[nH]2)c1 ZINC001363485731 961256034 /nfs/dbraw/zinc/25/60/34/961256034.db2.gz NAWOAQTWGRMAFU-UHFFFAOYSA-N -2 2 320.280 0.915 20 0 DCADLL Cc1n[nH]cc1S(=O)(=O)Nc1ccc(Cc2nn[nH]n2)cc1 ZINC000164224549 132132797 /nfs/dbraw/zinc/13/27/97/132132797.db2.gz FRYAJCIHYIPGTC-UHFFFAOYSA-N -2 2 319.350 0.623 20 0 DCADLL CC[C@]1(C)NC(=O)N(NC(=O)c2cc(OC)ccc2O)C1=O ZINC000298073305 415991040 /nfs/dbraw/zinc/99/10/40/415991040.db2.gz LPRIAHPPGSCZJM-AWEZNQCLSA-N -2 2 307.306 0.766 20 0 DCADLL O=C([O-])CCN1CC[C@@H]([N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)C1=O ZINC001602010664 1168962174 /nfs/dbraw/zinc/96/21/74/1168962174.db2.gz YZTZQYDAHKMKII-NXEZZACHSA-N -2 2 324.337 0.030 20 0 DCADLL C[C@@H](C(F)(F)F)S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-] ZINC000275057477 545992646 /nfs/dbraw/zinc/99/26/46/545992646.db2.gz YGLHRFHALSIFPU-WHFBIAKZSA-N -2 2 307.246 0.032 20 0 DCADLL C[C@H](NC(=O)c1coc(-c2nn[nH]n2)c1)C1=NN(C)CC1=O ZINC001603648345 1169341323 /nfs/dbraw/zinc/34/13/23/1169341323.db2.gz FSJMSTUMKZBCQE-LURJTMIESA-N -2 2 303.282 0.390 20 0 DCADLL Cc1cnc(NS(=O)(=O)c2cncc(-c3nn[nH]n3)c2)o1 ZINC001605980856 1170040745 /nfs/dbraw/zinc/04/07/45/1170040745.db2.gz ZLUZINFBKOMLHN-UHFFFAOYSA-N -2 2 307.295 0.359 20 0 DCADLL COc1cc(O)c(C(=O)N=c2ncnc3[nH][nH]cc2-3)c(OC)c1 ZINC001190110283 772591152 /nfs/dbraw/zinc/59/11/52/772591152.db2.gz LRYUJHJPCXCOME-UHFFFAOYSA-N -2 2 315.289 0.702 20 0 DCADLL Cc1cc(C(=O)Nc2nnc(NS(C)(=O)=O)s2)ncn1 ZINC000533114553 412342156 /nfs/dbraw/zinc/34/21/56/412342156.db2.gz AZHAYORUZNTRLO-UHFFFAOYSA-N -2 2 314.352 0.260 20 0 DCADLL O=[P@]([O-])(O)CCNS(=O)(=O)c1c(F)cccc1F ZINC001259070529 946911033 /nfs/dbraw/zinc/91/10/33/946911033.db2.gz MVHSQXCUGQBPQR-UHFFFAOYSA-N -3 2 301.207 0.421 20 0 DCADLL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cnoc2)c1 ZINC000623946506 416926235 /nfs/dbraw/zinc/92/62/35/416926235.db2.gz MRNXZSXTCWOONV-UHFFFAOYSA-N -2 2 312.259 0.872 20 0 DCADLL C[C@]1(C(=O)NOc2cccc(-c3nn[nH]n3)c2)CCC(=O)NC1 ZINC001590068295 1166764166 /nfs/dbraw/zinc/76/41/66/1166764166.db2.gz FPGFGVGFBPIRAQ-AWEZNQCLSA-N -2 2 316.321 0.193 20 0 DCADLL O=C([O-])c1cnc(C[N@H+]2CCC[C@H](C3N=NC(=O)O3)C2)cn1 ZINC001602519980 1169104137 /nfs/dbraw/zinc/10/41/37/1169104137.db2.gz FLCSDDOTSOQTSH-QMMMGPOBSA-N -2 2 305.294 0.643 20 0 DCADLL Cc1ccnc(NS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)n1 ZINC001609439185 1170977313 /nfs/dbraw/zinc/97/73/13/1170977313.db2.gz PWLTYQGSERUHOE-UHFFFAOYSA-N -2 2 317.334 0.766 20 0 DCADLL C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H](CCC(=O)[O-])C(=O)[O-] ZINC000776437621 668876457 /nfs/dbraw/zinc/87/64/57/668876457.db2.gz ZKWQXEZHZVRDST-CRCLSJGQSA-N -2 2 307.246 0.175 20 0 DCADLL O=C(c1c(O)cccc1F)N1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000298839275 416034136 /nfs/dbraw/zinc/03/41/36/416034136.db2.gz DGNUSWPOJBVLEV-MRVPVSSYSA-N -2 2 306.297 0.963 20 0 DCADLL O=C([O-])c1ccc(S(=O)(=O)N[C@H]2CCn3cc[nH+]c3C2)o1 ZINC001602398367 1169071226 /nfs/dbraw/zinc/07/12/26/1169071226.db2.gz BNDQJZHWRJTWQI-QMMMGPOBSA-N -2 2 311.319 0.468 20 0 DCADLL O=C(NCc1nn[nH]n1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000679408927 548055253 /nfs/dbraw/zinc/05/52/53/548055253.db2.gz PLADUALIXUGIMU-UHFFFAOYSA-N -2 2 303.257 0.160 20 0 DCADLL COc1ccc(OC)c(C(=O)NCC2=NC(=O)CC(=O)N2)c1 ZINC001364209002 962676422 /nfs/dbraw/zinc/67/64/22/962676422.db2.gz XPWMMXJUOCTLCZ-UHFFFAOYSA-N -2 2 305.290 0.835 20 0 DCADLL C[C@]1(C(=O)NOc2cccc(-c3nn[nH]n3)c2)CCNC(=O)C1 ZINC001590069065 1166763710 /nfs/dbraw/zinc/76/37/10/1166763710.db2.gz SLQSVRZJKUAUSN-AWEZNQCLSA-N -2 2 316.321 0.193 20 0 DCADLL CCOc1n[nH]c(NC(=O)C(C)(C)NC(=O)C(F)(F)F)n1 ZINC001471301016 1016549342 /nfs/dbraw/zinc/54/93/42/1016549342.db2.gz VVJJKIPAWCLNOK-UHFFFAOYSA-N -2 2 309.248 0.599 20 0 DCADLL O=C([O-])c1cnc(C[N@H+]2CCC[C@@H](C3N=NC(=O)O3)C2)cn1 ZINC001602519979 1169104783 /nfs/dbraw/zinc/10/47/83/1169104783.db2.gz FLCSDDOTSOQTSH-MRVPVSSYSA-N -2 2 305.294 0.643 20 0 DCADLL O=C(NCC1=NC(=O)CC(=O)N1)c1ccc(N2CCCC2)nn1 ZINC001364208936 962674865 /nfs/dbraw/zinc/67/48/65/962674865.db2.gz XBZAAVHKPVHUQW-UHFFFAOYSA-N -2 2 316.321 0.208 20 0 DCADLL C[C@@]1(C(=O)NOc2cccc(-c3nn[nH]n3)c2)CCNC(=O)C1 ZINC001590069066 1166764258 /nfs/dbraw/zinc/76/42/58/1166764258.db2.gz SLQSVRZJKUAUSN-CQSZACIVSA-N -2 2 316.321 0.193 20 0 DCADLL CCOC(=O)c1c[nH]c(NC(=O)c2cc(C(=O)OC)[n-]n2)n1 ZINC001194278668 773165870 /nfs/dbraw/zinc/16/58/70/773165870.db2.gz HTXSZNHNJOJJIJ-UHFFFAOYSA-N -2 2 307.266 0.348 20 0 DCADLL CC[N@H+](CCNC(=O)c1ccccc1O)Cc1n[nH]c(=O)[n-]1 ZINC001480963690 939503174 /nfs/dbraw/zinc/50/31/74/939503174.db2.gz XOMVNKSLSICCLR-UHFFFAOYSA-N -2 2 305.338 0.468 20 0 DCADLL C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000275157404 685194342 /nfs/dbraw/zinc/19/43/42/685194342.db2.gz ZKWQXEZHZVRDST-WHFBIAKZSA-N -2 2 307.246 0.175 20 0 DCADLL CS(C)(=O)=NS(=O)(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC001605362094 1169904495 /nfs/dbraw/zinc/90/44/95/1169904495.db2.gz SAAKXNOOVUWOSQ-UHFFFAOYSA-N -2 2 316.368 0.251 20 0 DCADLL O=C(C(=O)N1CCC(c2nn[nH]n2)CC1)c1ccc(O)cc1 ZINC001152486295 769576218 /nfs/dbraw/zinc/57/62/18/769576218.db2.gz NMIKBKWHXIWINW-UHFFFAOYSA-N -2 2 301.306 0.494 20 0 DCADLL O=C(C(=O)N1CCC(c2nn[n-]n2)CC1)c1ccc(O)cc1 ZINC001152486295 769576224 /nfs/dbraw/zinc/57/62/24/769576224.db2.gz NMIKBKWHXIWINW-UHFFFAOYSA-N -2 2 301.306 0.494 20 0 DCADLL CSc1ncc(C(=O)N(Cc2nn[nH]n2)CC(C)C)c(=O)[nH]1 ZINC001413504999 943026352 /nfs/dbraw/zinc/02/63/52/943026352.db2.gz PRSMDDFXOYJGEX-UHFFFAOYSA-N -2 2 323.382 0.716 20 0 DCADLL Cc1cnc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)nc1 ZINC001605980415 1170040646 /nfs/dbraw/zinc/04/06/46/1170040646.db2.gz ABDYNWJSKPOFRY-UHFFFAOYSA-N -2 2 317.334 0.766 20 0 DCADLL O=C(NC1(c2nn[nH]n2)CCC1)c1ccc2n[nH]c(=S)n2c1 ZINC001303221813 960043203 /nfs/dbraw/zinc/04/32/03/960043203.db2.gz KNJUWAYLUSYNTR-UHFFFAOYSA-N -2 2 316.350 0.340 20 0 DCADLL C[C@H](C(F)(F)F)S(=O)(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-] ZINC000275157400 685194018 /nfs/dbraw/zinc/19/40/18/685194018.db2.gz ZKWQXEZHZVRDST-UHNVWZDZSA-N -2 2 307.246 0.175 20 0 DCADLL CC(C)(CNS(=O)(=O)c1ccc(C(=O)[O-])o1)n1cc[nH+]c1 ZINC001603645939 1169341016 /nfs/dbraw/zinc/34/10/16/1169341016.db2.gz RUJLKXQOBFGQIL-UHFFFAOYSA-N -2 2 313.335 0.888 20 0 DCADLL O=C([O-])CC[C@@H](O)C(=O)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234333542 769628987 /nfs/dbraw/zinc/62/89/87/769628987.db2.gz WZQUJYKNDNVHJG-SECBINFHSA-N -2 2 320.190 0.289 20 0 DCADLL O=C([O-])CC[C@@H](O)C(=O)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234333542 769628991 /nfs/dbraw/zinc/62/89/91/769628991.db2.gz WZQUJYKNDNVHJG-SECBINFHSA-N -2 2 320.190 0.289 20 0 DCADLL O=C(N[C@@H]1[C@H]2C[N@H+](Cc3n[nH]c(=O)[n-]3)C[C@H]21)c1ccccc1O ZINC000958279779 687506669 /nfs/dbraw/zinc/50/66/69/687506669.db2.gz PRGVFWMFAFSTHM-IWIIMEHWSA-N -2 2 315.333 0.076 20 0 DCADLL O=C([O-])CCN1CC[C@H]([N@@H+]2CCC[C@@H](c3n[nH]c(=O)o3)C2)C1=O ZINC001602010667 1168961835 /nfs/dbraw/zinc/96/18/35/1168961835.db2.gz YZTZQYDAHKMKII-ZJUUUORDSA-N -2 2 324.337 0.030 20 0 DCADLL C[C@@H](NC(=O)c1csc(-c2nn[nH]n2)c1)C1=NN(C)CC1=O ZINC001603650853 1169341971 /nfs/dbraw/zinc/34/19/71/1169341971.db2.gz YIEMWZVPLRGMHA-ZCFIWIBFSA-N -2 2 319.350 0.858 20 0 DCADLL C[C@H](NC(=O)c1csc(-c2nn[nH]n2)c1)C1=NN(C)CC1=O ZINC001603650852 1169342585 /nfs/dbraw/zinc/34/25/85/1169342585.db2.gz YIEMWZVPLRGMHA-LURJTMIESA-N -2 2 319.350 0.858 20 0 DCADLL COC(=O)c1cc(S(=O)(=O)Nc2cncnc2)ccc1O ZINC000231773567 261153663 /nfs/dbraw/zinc/15/36/63/261153663.db2.gz NBQPVYZLFSVHKJ-UHFFFAOYSA-N -2 2 309.303 0.770 20 0 DCADLL C[C@H](C(=O)[O-])[NH+]1CCN(c2ccsc2-c2nn[nH]n2)CC1 ZINC001603031175 1169233593 /nfs/dbraw/zinc/23/35/93/1169233593.db2.gz BFFLMBKGOSNOGZ-MRVPVSSYSA-N -2 2 308.367 0.523 20 0 DCADLL O=C(c1ccc(Cl)cc1O)N1CCOC[C@H]1c1nn[nH]n1 ZINC001363203923 960598236 /nfs/dbraw/zinc/59/82/36/960598236.db2.gz MCQIXTONFWYUTN-VIFPVBQESA-N -2 2 309.713 0.772 20 0 DCADLL CC(C)c1cccc(N2CC(=O)C(C(=O)Nc3nn[nH]n3)=N2)c1 ZINC000340464968 416188211 /nfs/dbraw/zinc/18/82/11/416188211.db2.gz MDYZEZNEMOKZMM-UHFFFAOYSA-N -2 2 313.321 1.467 20 0 DCADLL Cc1nnc(NS(=O)(=O)c2cncc(-c3nn[nH]n3)c2)s1 ZINC001606124176 1170084273 /nfs/dbraw/zinc/08/42/73/1170084273.db2.gz KNHGSOCLTLDMHH-UHFFFAOYSA-N -2 2 324.351 0.222 20 0 DCADLL CC(C)Oc1cccc(C(=O)NCc2nc(O)cc(=O)[nH]2)n1 ZINC001363317280 960879631 /nfs/dbraw/zinc/87/96/31/960879631.db2.gz GLPQJVDZXLEKAF-UHFFFAOYSA-N -2 2 304.306 1.000 20 0 DCADLL C[C@@H](C(F)(F)F)S(=O)(=O)NC[C@@H](CC(=O)[O-])C(=O)[O-] ZINC000275057474 545993009 /nfs/dbraw/zinc/99/30/09/545993009.db2.gz YGLHRFHALSIFPU-CRCLSJGQSA-N -2 2 307.246 0.032 20 0 DCADLL CS(C)(=O)=NS(=O)(=O)Nc1ccccc1-c1nn[nH]n1 ZINC001605361257 1169904092 /nfs/dbraw/zinc/90/40/92/1169904092.db2.gz GEHINNYVUABYHS-UHFFFAOYSA-N -2 2 316.368 0.251 20 0 DCADLL COc1ccnc(OC)c1C(=O)NCc1nc(O)cc(=O)[nH]1 ZINC001364208554 962676169 /nfs/dbraw/zinc/67/61/69/962676169.db2.gz VGZJMMARLMRNEM-UHFFFAOYSA-N -2 2 306.278 0.230 20 0 DCADLL Cc1cc(=O)[nH]c([C@@H](C)[N@@H+]2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)n1 ZINC001610475543 1171241120 /nfs/dbraw/zinc/24/11/20/1171241120.db2.gz BBJLZDBZYFYBNQ-NXEZZACHSA-N -2 2 318.337 0.788 20 0 DCADLL O=C(c1c(O)cccc1F)N1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000298839276 416033573 /nfs/dbraw/zinc/03/35/73/416033573.db2.gz DGNUSWPOJBVLEV-QMMMGPOBSA-N -2 2 306.297 0.963 20 0 DCADLL O=C([O-])c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cncnc2)c1 ZINC000362212151 262010348 /nfs/dbraw/zinc/01/03/48/262010348.db2.gz BOPGBESGGQDNGO-UHFFFAOYSA-N -2 2 323.286 0.674 20 0 DCADLL C[C@H](C(F)(F)F)S(=O)(=O)NC[C@H](CC(=O)[O-])C(=O)[O-] ZINC000275057476 545993093 /nfs/dbraw/zinc/99/30/93/545993093.db2.gz YGLHRFHALSIFPU-UHNVWZDZSA-N -2 2 307.246 0.032 20 0 DCADLL CN(Cc1n[nH]c(=O)o1)c1cc(-c2nn[nH]n2)nc(C2CC2)n1 ZINC001579267273 1165255203 /nfs/dbraw/zinc/25/52/03/1165255203.db2.gz GJNBHJGHYRXUQE-UHFFFAOYSA-N -2 2 315.297 0.259 20 0 DCADLL O=C([O-])CCN1CC[C@@H]([N@@H+]2CCC[C@H](c3n[nH]c(=O)o3)C2)C1=O ZINC001602010666 1168961402 /nfs/dbraw/zinc/96/14/02/1168961402.db2.gz YZTZQYDAHKMKII-VHSXEESVSA-N -2 2 324.337 0.030 20 0 DCADLL O=C(NCc1nc(O)cc(=O)[nH]1)c1cncc(N2CCCC2)n1 ZINC001363485763 961257790 /nfs/dbraw/zinc/25/77/90/961257790.db2.gz NJFROKPGFUZMSC-UHFFFAOYSA-N -2 2 316.321 0.208 20 0 DCADLL O=C(c1ccc(Cl)cc1O)N1CCOC[C@@H]1c1nn[nH]n1 ZINC001363203907 960598445 /nfs/dbraw/zinc/59/84/45/960598445.db2.gz MCQIXTONFWYUTN-SECBINFHSA-N -2 2 309.713 0.772 20 0 DCADLL C[C@@H](C(F)(F)F)S(=O)(=O)NC[C@](C)(CC(=O)[O-])C(=O)[O-] ZINC000547610302 288062075 /nfs/dbraw/zinc/06/20/75/288062075.db2.gz KGWGJXUPBKAJTI-XNCJUZBTSA-N -2 2 321.273 0.422 20 0 DCADLL O=C([O-])c1ccc(S(=O)(=O)N[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC001602398365 1169071891 /nfs/dbraw/zinc/07/18/91/1169071891.db2.gz BNDQJZHWRJTWQI-MRVPVSSYSA-N -2 2 311.319 0.468 20 0 DCADLL C[C@@H](C(=O)[O-])[NH+]1CCN(c2ccsc2-c2nn[nH]n2)CC1 ZINC001603031176 1169234078 /nfs/dbraw/zinc/23/40/78/1169234078.db2.gz BFFLMBKGOSNOGZ-QMMMGPOBSA-N -2 2 308.367 0.523 20 0 DCADLL O=S(=O)(Nc1ccc(Cc2nn[nH]n2)cc1)c1cn[nH]c1 ZINC000164234624 132132275 /nfs/dbraw/zinc/13/22/75/132132275.db2.gz CXLIZPKOLKUMNX-UHFFFAOYSA-N -2 2 305.323 0.314 20 0 DCADLL C[C@@]1(C(=O)NOc2cccc(-c3nn[nH]n3)c2)CCC(=O)NC1 ZINC001590068296 1166763623 /nfs/dbraw/zinc/76/36/23/1166763623.db2.gz FPGFGVGFBPIRAQ-CQSZACIVSA-N -2 2 316.321 0.193 20 0 DCADLL