smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(S(=O)(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(Cl)cc1F ZINC000133747073 700841259 /nfs/dbraw/zinc/84/12/59/700841259.db2.gz MTPLIJKRKBVWDW-UHFFFAOYSA-N -1 2 360.750 3.202 20 10 FGCDLM Cn1cc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])c(C2CCCCC2)n1 ZINC000872372948 735621236 /nfs/dbraw/zinc/62/12/36/735621236.db2.gz TWDJHMFFZHERNN-UHFFFAOYSA-N -1 2 371.409 3.252 20 10 FGCDLM C[NH+](C)Cc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2O)cn1 ZINC000813684438 726904944 /nfs/dbraw/zinc/90/49/44/726904944.db2.gz IQBBNIXPYSIDQW-UHFFFAOYSA-N -1 2 354.237 3.086 20 10 FGCDLM CCCn1ncnc1C[N@H+](CC)Cc1cc(Br)ccc1O ZINC000279399899 497428161 /nfs/dbraw/zinc/42/81/61/497428161.db2.gz IMIPHLGQZDDHFB-UHFFFAOYSA-N -1 2 353.264 3.178 20 10 FGCDLM Cc1cc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)ccc1C(=O)[O-] ZINC000832904574 600976929 /nfs/dbraw/zinc/97/69/29/600976929.db2.gz TVJCGYHRJZZMPR-UHFFFAOYSA-N -1 2 364.404 3.211 20 10 FGCDLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 ZINC000318415686 713808618 /nfs/dbraw/zinc/80/86/18/713808618.db2.gz MPKMXWUZZWSRAM-UHFFFAOYSA-N -1 2 362.190 3.198 20 10 FGCDLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1nc(-c2ccco2)cs1 ZINC000833293517 601847603 /nfs/dbraw/zinc/84/76/03/601847603.db2.gz AEOBZADTJPMHAM-UHFFFAOYSA-N -1 2 368.367 3.041 20 10 FGCDLM O=C([O-])Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000739889249 600244968 /nfs/dbraw/zinc/24/49/68/600244968.db2.gz LINNWQKPIGZLRL-UHFFFAOYSA-N -1 2 374.443 3.238 20 10 FGCDLM CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781895527 724608621 /nfs/dbraw/zinc/60/86/21/724608621.db2.gz BEFHMYJEEOQXBK-ZDUSSCGKSA-N -1 2 371.275 3.174 20 10 FGCDLM CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000793618616 723455923 /nfs/dbraw/zinc/45/59/23/723455923.db2.gz VWODXESIPNAFBR-GJZGRUSLSA-N -1 2 356.413 3.311 20 10 FGCDLM Cc1ccc(S(=O)(=O)Nc2nc(-c3c[nH]c(C(=O)[O-])c3)cs2)s1 ZINC000738655466 600055181 /nfs/dbraw/zinc/05/51/81/600055181.db2.gz XLEGCUTZBYKVFA-UHFFFAOYSA-N -1 2 369.449 3.007 20 10 FGCDLM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cs1 ZINC000120299715 700652252 /nfs/dbraw/zinc/65/22/52/700652252.db2.gz ZLCYGRVCXXPDBH-UHFFFAOYSA-N -1 2 369.207 3.470 20 10 FGCDLM O=S(=O)(Nc1cc(Cl)cc(Cl)c1O)c1cc(F)cc(F)c1[O-] ZINC000821192048 729067092 /nfs/dbraw/zinc/06/70/92/729067092.db2.gz RDHCYFUPUIMABX-UHFFFAOYSA-N -1 2 370.160 3.484 20 10 FGCDLM O=S(=O)([N-]c1cc(Cl)cc(Cl)c1O)c1cc(F)cc(F)c1O ZINC000821192048 729067095 /nfs/dbraw/zinc/06/70/95/729067095.db2.gz RDHCYFUPUIMABX-UHFFFAOYSA-N -1 2 370.160 3.484 20 10 FGCDLM Cc1noc([C@@H]2CCC[N@@H+]2Cc2cc(Br)cc(C)c2O)n1 ZINC000289915090 498351691 /nfs/dbraw/zinc/35/16/91/498351691.db2.gz VHSUQNXYEMKJMD-ZDUSSCGKSA-N -1 2 352.232 3.492 20 10 FGCDLM CC[N@H+](Cc1cc(COC)on1)Cc1cc(Br)ccc1O ZINC000297566351 498496198 /nfs/dbraw/zinc/49/61/98/498496198.db2.gz COWPFGQGOQCGOA-UHFFFAOYSA-N -1 2 355.232 3.311 20 10 FGCDLM CSc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000792701886 723358365 /nfs/dbraw/zinc/35/83/65/723358365.db2.gz GFSAFYNDJIKPSV-UHFFFAOYSA-N -1 2 371.411 3.061 20 10 FGCDLM O=[N+]([O-])c1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)ccc1[O-] ZINC000133739103 700841082 /nfs/dbraw/zinc/84/10/82/700841082.db2.gz XGXOZUSQSXUETJ-UHFFFAOYSA-N -1 2 363.178 3.408 20 10 FGCDLM CCOc1ccc(OCC)c(NS(=O)(=O)c2cc(F)cc(F)c2[O-])c1 ZINC000753015219 722881702 /nfs/dbraw/zinc/88/17/02/722881702.db2.gz BNIHHVVUNZBDEZ-UHFFFAOYSA-N -1 2 373.377 3.269 20 10 FGCDLM CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cc(F)cc(F)c2O)c1 ZINC000753015219 722881705 /nfs/dbraw/zinc/88/17/05/722881705.db2.gz BNIHHVVUNZBDEZ-UHFFFAOYSA-N -1 2 373.377 3.269 20 10 FGCDLM O=S(=O)(Nc1ccccc1OC(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000753015245 722881711 /nfs/dbraw/zinc/88/17/11/722881711.db2.gz BVYUSQILNAFVOJ-UHFFFAOYSA-N -1 2 369.267 3.370 20 10 FGCDLM Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000796032113 723618247 /nfs/dbraw/zinc/61/82/47/723618247.db2.gz NWCBSXYLYMOXSY-SUMWQHHRSA-N -1 2 370.287 3.233 20 10 FGCDLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c(C)c(C)c1O ZINC000775287705 723976141 /nfs/dbraw/zinc/97/61/41/723976141.db2.gz JNCDHTJOIMQQHF-UHFFFAOYSA-N -1 2 371.361 3.095 20 10 FGCDLM CC(C)(O)C[N@H+]1CCc2c(cccc2NCc2cc([N+](=O)[O-])ccc2O)C1 ZINC000371753685 499361745 /nfs/dbraw/zinc/36/17/45/499361745.db2.gz PSMNTFLZGWOCAM-UHFFFAOYSA-N -1 2 371.437 3.042 20 10 FGCDLM CC(C)Cn1ncc(NS(=O)(=O)c2cc(F)cc(F)c2[O-])c1C1CC1 ZINC000872371283 735621358 /nfs/dbraw/zinc/62/13/58/735621358.db2.gz LKBUJMJLYAYHLE-UHFFFAOYSA-N -1 2 371.409 3.201 20 10 FGCDLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cs1 ZINC000833306164 600975349 /nfs/dbraw/zinc/97/53/49/600975349.db2.gz IIIKNDVZESODNU-UHFFFAOYSA-N -1 2 372.474 3.432 20 10 FGCDLM O=C([O-])c1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1 ZINC000170552776 601354034 /nfs/dbraw/zinc/35/40/34/601354034.db2.gz JVIOHCCWRVNRFU-UHFFFAOYSA-N -1 2 360.416 3.309 20 10 FGCDLM CC[N@@H+](Cc1onc(C)c1[N+](=O)[O-])Cc1cc(Br)ccc1O ZINC000851791962 731498689 /nfs/dbraw/zinc/49/86/89/731498689.db2.gz GAKHPCZNLLHVCP-UHFFFAOYSA-N -1 2 370.203 3.381 20 10 FGCDLM COc1ccc(O)c(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c1 ZINC000758162285 722985263 /nfs/dbraw/zinc/98/52/63/722985263.db2.gz JJBIHQKXIXAEIW-UHFFFAOYSA-N -1 2 364.206 3.214 20 10 FGCDLM O=S(=O)(Nc1cc(Cl)c([O-])c(Cl)c1)c1c[nH]c2ncccc12 ZINC000758161303 722985290 /nfs/dbraw/zinc/98/52/90/722985290.db2.gz BKNOMYAXFYTAHO-UHFFFAOYSA-N -1 2 358.206 3.376 20 10 FGCDLM CSc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000792702686 723358572 /nfs/dbraw/zinc/35/85/72/723358572.db2.gz DGCSJOYTYCQXOF-UHFFFAOYSA-N -1 2 371.411 3.061 20 10 FGCDLM O=[N+]([O-])c1cccc(F)c1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808115026 725184349 /nfs/dbraw/zinc/18/43/49/725184349.db2.gz MAMCOIIIYPJKBK-UHFFFAOYSA-N -1 2 364.713 3.033 20 10 FGCDLM Cn1cc([C@@H]2CSCC[N@@H+]2Cc2c(O)cccc2Br)cn1 ZINC000862342771 732812167 /nfs/dbraw/zinc/81/21/67/732812167.db2.gz MUWLTDBJMRGJTJ-AWEZNQCLSA-N -1 2 368.300 3.178 20 10 FGCDLM O=[N+]([O-])c1ccn(C2CC[NH+](Cc3c(O)ccc(Cl)c3F)CC2)n1 ZINC000369692203 499436978 /nfs/dbraw/zinc/43/69/78/499436978.db2.gz IJDFIQFNXYERTF-UHFFFAOYSA-N -1 2 354.769 3.127 20 10 FGCDLM Oc1ccc2ccccc2c1C[N@@H+]1CCn2c(CC(F)(F)F)nnc2C1 ZINC000365829001 498658431 /nfs/dbraw/zinc/65/84/31/498658431.db2.gz HJDRIKHNZXQRJH-UHFFFAOYSA-N -1 2 362.355 3.258 20 10 FGCDLM Cc1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)sc1C(=O)[O-] ZINC000808113687 725184216 /nfs/dbraw/zinc/18/42/16/725184216.db2.gz GABVKJVCQWFWOD-UHFFFAOYSA-N -1 2 365.791 3.054 20 10 FGCDLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)ccc1F ZINC000833306245 601359506 /nfs/dbraw/zinc/35/95/06/601359506.db2.gz LGUMCLJIRKPTHF-UHFFFAOYSA-N -1 2 368.367 3.041 20 10 FGCDLM O=S(=O)(Nc1ccccc1OC(F)F)c1cc(F)cc(F)c1[O-] ZINC000753017397 722881716 /nfs/dbraw/zinc/88/17/16/722881716.db2.gz LMMZLOWLZJMAHL-UHFFFAOYSA-N -1 2 351.277 3.073 20 10 FGCDLM CC(=O)c1cc(F)cc(C[N@H+](C)Cc2cn(C)nc2C(F)(F)F)c1O ZINC000155354816 495931172 /nfs/dbraw/zinc/93/11/72/495931172.db2.gz KFULFGHVAJFEJD-UHFFFAOYSA-N -1 2 359.323 3.118 20 10 FGCDLM O=S(=O)([N-]c1cc(Cl)c(O)c(Cl)c1)c1cn2c(n1)CCCC2 ZINC000368301140 499283375 /nfs/dbraw/zinc/28/33/75/499283375.db2.gz GIXDOMVSBSJNHY-UHFFFAOYSA-N -1 2 362.238 3.033 20 10 FGCDLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1nc(-c2ccco2)cs1 ZINC000740143034 600056106 /nfs/dbraw/zinc/05/61/06/600056106.db2.gz AGXKXODUGYNUIL-UHFFFAOYSA-N -1 2 368.367 3.041 20 10 FGCDLM COC(=O)c1cc(C[N@@H+](C)Cc2cccc(Br)c2O)oc1C ZINC000122429103 700689607 /nfs/dbraw/zinc/68/96/07/700689607.db2.gz CTMSGHWVZGXHDC-UHFFFAOYSA-N -1 2 368.227 3.475 20 10 FGCDLM O=[N+]([O-])c1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)ccc1[O-] ZINC000133757368 700841239 /nfs/dbraw/zinc/84/12/39/700841239.db2.gz RKRZEIMDZIIHDO-UHFFFAOYSA-N -1 2 362.285 3.120 20 10 FGCDLM Cc1cccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)c1C(=O)[O-] ZINC000738746288 600056147 /nfs/dbraw/zinc/05/61/47/600056147.db2.gz HHRHYLOTTPITEF-UHFFFAOYSA-N -1 2 364.404 3.211 20 10 FGCDLM Cc1ccc(S(=O)(=O)Nc2nc(-c3ccco3)cs2)cc1C(=O)[O-] ZINC000832956442 600828378 /nfs/dbraw/zinc/82/83/78/600828378.db2.gz AFJHHYXXVFMOCT-UHFFFAOYSA-N -1 2 364.404 3.211 20 10 FGCDLM Oc1c(C[N@H+]2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)ccc(F)c1F ZINC000897613600 742694977 /nfs/dbraw/zinc/69/49/77/742694977.db2.gz IZFFBHCUVWWYCY-SNVBAGLBSA-N -1 2 359.298 3.469 20 10 FGCDLM Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000755981350 722959336 /nfs/dbraw/zinc/95/93/36/722959336.db2.gz BMWWFWRHEKITMO-UHFFFAOYSA-N -1 2 365.407 3.029 20 10 FGCDLM O=C([O-])NCc1ccc2c(c1)CCCN2Cc1nc(=O)c2sccc2[nH]1 ZINC000740673748 602648928 /nfs/dbraw/zinc/64/89/28/602648928.db2.gz GWQRITMYYXNJSR-UHFFFAOYSA-N -1 2 370.434 3.117 20 10 FGCDLM OC[C@@]1([NH2+]Cc2cc(Cl)cc(Cl)c2O)CCOc2ccccc21 ZINC000282399477 498494484 /nfs/dbraw/zinc/49/44/84/498494484.db2.gz POOBEHMYBURWMD-KRWDZBQOSA-N -1 2 354.233 3.459 20 10 FGCDLM Cc1ccsc1S(=O)(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1 ZINC000832985203 600976989 /nfs/dbraw/zinc/97/69/89/600976989.db2.gz HKHXJMYNKGRZFM-UHFFFAOYSA-N -1 2 369.449 3.007 20 10 FGCDLM COc1cc(OC)c(OC)cc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273367164 496785891 /nfs/dbraw/zinc/78/58/91/496785891.db2.gz FEOBUTYMTKVJJI-LLVKDONJSA-N -1 2 362.382 3.177 20 10 FGCDLM O=C([O-])c1cc(Br)cc(NCc2cc([N+](=O)[O-])ccc2O)c1 ZINC000789901872 723082953 /nfs/dbraw/zinc/08/29/53/723082953.db2.gz FYTZOFGOQJJDTC-UHFFFAOYSA-N -1 2 367.155 3.373 20 10 FGCDLM O=[N+]([O-])c1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1[O-] ZINC000797432043 723816507 /nfs/dbraw/zinc/81/65/07/723816507.db2.gz IXZMVCJUUJYOGT-UHFFFAOYSA-N -1 2 363.178 3.408 20 10 FGCDLM COc1c(O)c(CN[C@@H](C[NH+]2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278863366 497245818 /nfs/dbraw/zinc/24/58/18/497245818.db2.gz MFEKNZXKIHMLOO-KRWDZBQOSA-N -1 2 371.437 3.236 20 10 FGCDLM Oc1c(Br)cccc1C[N@@H+]1CCCN(CC(F)(F)F)CC1 ZINC000129473772 700788492 /nfs/dbraw/zinc/78/84/92/700788492.db2.gz PJPQZGGNXHSJFI-UHFFFAOYSA-N -1 2 367.209 3.225 20 10 FGCDLM CCCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000750034894 722752587 /nfs/dbraw/zinc/75/25/87/722752587.db2.gz ATPYXOFKWSCLAM-UHFFFAOYSA-N -1 2 352.862 3.129 20 10 FGCDLM Cn1cc([C@H]2CSCC[N@@H+]2Cc2c(O)cccc2Br)cn1 ZINC000862342772 732812039 /nfs/dbraw/zinc/81/20/39/732812039.db2.gz MUWLTDBJMRGJTJ-CQSZACIVSA-N -1 2 368.300 3.178 20 10 FGCDLM Oc1ccccc1N1CC[NH+](Cc2cccc(Br)c2O)CC1 ZINC000158542629 705189780 /nfs/dbraw/zinc/18/97/80/705189780.db2.gz MZQJRZADDHBLBT-UHFFFAOYSA-N -1 2 363.255 3.183 20 10 FGCDLM COCC[N@H+](Cc1c(C)nn(C)c1C)Cc1cc(Cl)c(F)cc1O ZINC000835073281 729856235 /nfs/dbraw/zinc/85/62/35/729856235.db2.gz KQAFTKUKODVTOV-UHFFFAOYSA-N -1 2 355.841 3.184 20 10 FGCDLM COc1cc(OC)c(OC)cc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000273367165 496785582 /nfs/dbraw/zinc/78/55/82/496785582.db2.gz FEOBUTYMTKVJJI-NSHDSACASA-N -1 2 362.382 3.177 20 10 FGCDLM Cc1cc(Br)cc(C[N@@H+](C)Cc2nncn2C(C)C)c1O ZINC000292857688 498172843 /nfs/dbraw/zinc/17/28/43/498172843.db2.gz UYGAQHJLTCWXNZ-UHFFFAOYSA-N -1 2 353.264 3.268 20 10 FGCDLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2ccco2)cs1 ZINC000738276885 599966171 /nfs/dbraw/zinc/96/61/71/599966171.db2.gz IEYNGXDVUAESCX-UHFFFAOYSA-N -1 2 364.404 3.211 20 10 FGCDLM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000048847212 695890003 /nfs/dbraw/zinc/89/00/03/695890003.db2.gz XFKGFVNNCGRHFJ-UHFFFAOYSA-N -1 2 368.219 3.260 20 10 FGCDLM CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781895526 724608824 /nfs/dbraw/zinc/60/88/24/724608824.db2.gz BEFHMYJEEOQXBK-CYBMUJFWSA-N -1 2 371.275 3.174 20 10 FGCDLM CC(=O)c1cc(Cl)cc(C[NH+]2CCC(C(=O)NCC(C)C)CC2)c1O ZINC000750036118 722752414 /nfs/dbraw/zinc/75/24/14/722752414.db2.gz KSUSNNHPPDRTNO-UHFFFAOYSA-N -1 2 366.889 3.232 20 10 FGCDLM O=C([O-])c1ccc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)cc1 ZINC000170551581 601357490 /nfs/dbraw/zinc/35/74/90/601357490.db2.gz GJAQHUVTSSQKNN-UHFFFAOYSA-N -1 2 366.445 3.371 20 10 FGCDLM O=C([O-])c1cccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1 ZINC000318447221 713808787 /nfs/dbraw/zinc/80/87/87/713808787.db2.gz UBHDVFGAGOWQLJ-UHFFFAOYSA-N -1 2 362.190 3.198 20 10 FGCDLM Cc1noc([C@H]2CCC[N@@H+]2Cc2cc(Br)cc(C)c2O)n1 ZINC000289915085 498351522 /nfs/dbraw/zinc/35/15/22/498351522.db2.gz VHSUQNXYEMKJMD-CYBMUJFWSA-N -1 2 352.232 3.492 20 10 FGCDLM Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000755985977 601493124 /nfs/dbraw/zinc/49/31/24/601493124.db2.gz QDOPGXNFRAQIAB-UHFFFAOYSA-N -1 2 355.437 3.385 20 10 FGCDLM CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)s1 ZINC000747791440 722660659 /nfs/dbraw/zinc/66/06/59/722660659.db2.gz MGMOOTAFBNANDB-UHFFFAOYSA-N -1 2 355.437 3.250 20 10 FGCDLM Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000796032109 723618223 /nfs/dbraw/zinc/61/82/23/723618223.db2.gz NWCBSXYLYMOXSY-DYVFJYSZSA-N -1 2 370.287 3.233 20 10 FGCDLM Cc1cc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)sc1C(=O)[O-] ZINC000274842747 497180196 /nfs/dbraw/zinc/18/01/96/497180196.db2.gz WKYNESOHGXLHTQ-UHFFFAOYSA-N -1 2 355.437 3.186 20 10 FGCDLM Oc1ccc(N2CC[NH+](Cc3cccc(Br)c3O)CC2)cc1 ZINC000157911178 705167177 /nfs/dbraw/zinc/16/71/77/705167177.db2.gz CMPCKRVDLMALIP-UHFFFAOYSA-N -1 2 363.255 3.183 20 10 FGCDLM Cc1noc2ncc(S(=O)(=O)Nc3cc(Cl)c([O-])c(Cl)c3)cc12 ZINC000758164125 722985355 /nfs/dbraw/zinc/98/53/55/722985355.db2.gz URXOQOZNCVOEOE-UHFFFAOYSA-N -1 2 374.205 3.344 20 10 FGCDLM CSc1cc(O)ccc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000792702407 723358352 /nfs/dbraw/zinc/35/83/52/723358352.db2.gz SOBBCXVORCGZOZ-UHFFFAOYSA-N -1 2 371.411 3.061 20 10 FGCDLM O=C([O-])c1csc(S(=O)(=O)Nc2nc(-c3cccs3)cs2)c1 ZINC000740272466 600052082 /nfs/dbraw/zinc/05/20/82/600052082.db2.gz VIUGIQYKBMONNP-UHFFFAOYSA-N -1 2 372.474 3.432 20 10 FGCDLM Cc1ccc(-c2csc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)n2)s1 ZINC000832907002 600976917 /nfs/dbraw/zinc/97/69/17/600976917.db2.gz JRQSEBHTKRHIDW-UHFFFAOYSA-N -1 2 369.449 3.007 20 10 FGCDLM Cc1c(NS(=O)(=O)c2cc(F)cc(F)c2[O-])cnn1C1CCCC1 ZINC000872365669 735620561 /nfs/dbraw/zinc/62/05/61/735620561.db2.gz BCESMQNPKCCCNC-UHFFFAOYSA-N -1 2 357.382 3.091 20 10 FGCDLM Cc1cc(Br)c(O)c(C[N@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c1 ZINC000796032111 723618147 /nfs/dbraw/zinc/61/81/47/723618147.db2.gz NWCBSXYLYMOXSY-GUYCJALGSA-N -1 2 370.287 3.233 20 10 FGCDLM Cc1ccc2cccc(NS(=O)(=O)c3cc(F)cc(F)c3[O-])c2n1 ZINC000821173927 729065872 /nfs/dbraw/zinc/06/58/72/729065872.db2.gz XMSHJTJOQUDDMF-UHFFFAOYSA-N -1 2 350.346 3.328 20 10 FGCDLM CCCNC(=O)C1CC[NH+](Cc2cc(Br)cc(F)c2O)CC1 ZINC000893920801 742213870 /nfs/dbraw/zinc/21/38/70/742213870.db2.gz YFVCLCVJLQBDQJ-UHFFFAOYSA-N -1 2 373.266 3.032 20 10 FGCDLM OCC[N@H+](Cc1ccc(Br)cc1O)Cc1cccnc1Cl ZINC000825752732 729394008 /nfs/dbraw/zinc/39/40/08/729394008.db2.gz IHPYZSSFHJZLSA-UHFFFAOYSA-N -1 2 371.662 3.198 20 10 FGCDLM COc1c(O)c(CN[C@H](C[NH+]2CCCC2)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278863371 497246053 /nfs/dbraw/zinc/24/60/53/497246053.db2.gz MFEKNZXKIHMLOO-QGZVFWFLSA-N -1 2 371.437 3.236 20 10 FGCDLM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000013464027 695610754 /nfs/dbraw/zinc/61/07/54/695610754.db2.gz APAVHIXNGJTMHM-UHFFFAOYSA-N -1 2 362.190 3.198 20 10 FGCDLM O=C([O-])c1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)ccc1O ZINC000013464115 695610712 /nfs/dbraw/zinc/61/07/12/695610712.db2.gz HCYJLGIWEPDDFV-UHFFFAOYSA-N -1 2 362.190 3.198 20 10 FGCDLM O=[N+]([O-])c1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)ccc1[O-] ZINC000133754113 700841289 /nfs/dbraw/zinc/84/12/89/700841289.db2.gz FYVQQVTTZOTTIF-UHFFFAOYSA-N -1 2 363.178 3.408 20 10 FGCDLM Cc1ncc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1C#N ZINC000320037899 713810225 /nfs/dbraw/zinc/81/02/25/713810225.db2.gz XQFSCLJKOQSLIX-UHFFFAOYSA-N -1 2 358.206 3.075 20 10 FGCDLM Cc1occc1C(=O)NC1CC[NH+](Cc2cc(Cl)c(F)cc2O)CC1 ZINC000295233726 498951388 /nfs/dbraw/zinc/95/13/88/498951388.db2.gz DEZYMJXKXIQCSY-UHFFFAOYSA-N -1 2 366.820 3.481 20 10 FGCDLM O=C([O-])Cc1sc(NS(=O)(=O)c2ccccc2)nc1-c1ccccc1 ZINC000739899323 600056057 /nfs/dbraw/zinc/05/60/57/600056057.db2.gz KBZCQRCTAXHZQH-UHFFFAOYSA-N -1 2 374.443 3.238 20 10 FGCDLM Cc1oc(C)c(S(=O)(=O)Nc2nc(-c3ccco3)cs2)c1C(=O)[O-] ZINC000738969655 600056201 /nfs/dbraw/zinc/05/62/01/600056201.db2.gz OHKSJCDRKPGHHM-UHFFFAOYSA-N -1 2 368.392 3.112 20 10 FGCDLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cs1 ZINC000833306491 600975909 /nfs/dbraw/zinc/97/59/09/600975909.db2.gz YIGJQBGGUDFRQU-UHFFFAOYSA-N -1 2 366.445 3.371 20 10 FGCDLM Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000832898706 601493644 /nfs/dbraw/zinc/49/36/44/601493644.db2.gz KCKFTHXJIKSPGA-UHFFFAOYSA-N -1 2 355.437 3.385 20 10 FGCDLM OC[C@]1([NH2+]Cc2cc(Cl)cc(Cl)c2O)CCOc2ccccc21 ZINC000282399483 498494668 /nfs/dbraw/zinc/49/46/68/498494668.db2.gz POOBEHMYBURWMD-QGZVFWFLSA-N -1 2 354.233 3.459 20 10 FGCDLM CC(=O)c1cc(Cl)cc(C[N@H+]2CCOC3(CCOCC3)CC2)c1O ZINC000377252662 499674105 /nfs/dbraw/zinc/67/41/05/499674105.db2.gz SAOPKTNAXLYGRO-UHFFFAOYSA-N -1 2 353.846 3.020 20 10 FGCDLM O=C([O-])c1csc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c1 ZINC000740271756 600050950 /nfs/dbraw/zinc/05/09/50/600050950.db2.gz PBYHDBKAWRZJAC-UHFFFAOYSA-N -1 2 366.445 3.371 20 10 FGCDLM O=[N+]([O-])c1cc(NS(=O)(=O)c2csc3ccccc32)ccc1[O-] ZINC000795346655 723583629 /nfs/dbraw/zinc/58/36/29/723583629.db2.gz BSMBVMSVWCNDQM-UHFFFAOYSA-N -1 2 350.377 3.316 20 10 FGCDLM Cc1cc(Br)c(O)c(C[N@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c1 ZINC000796032107 723618231 /nfs/dbraw/zinc/61/82/31/723618231.db2.gz NWCBSXYLYMOXSY-CXAGYDPISA-N -1 2 370.287 3.233 20 10 FGCDLM CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])s1 ZINC000776434646 724144918 /nfs/dbraw/zinc/14/49/18/724144918.db2.gz HYOUSNIIKPMERC-UHFFFAOYSA-N -1 2 355.437 3.250 20 10 FGCDLM Oc1c(C[N@H+]2CC[C@H](c3nccc(C(F)(F)F)n3)C2)ccc(F)c1F ZINC000897613599 742695028 /nfs/dbraw/zinc/69/50/28/742695028.db2.gz IZFFBHCUVWWYCY-JTQLQIEISA-N -1 2 359.298 3.469 20 10 FGCDLM O=S(=O)(Nc1cc(Cl)c([O-])c(Cl)c1)c1cccc2c1OCO2 ZINC000800838930 724235346 /nfs/dbraw/zinc/23/53/46/724235346.db2.gz UDTYSCNNIGFDMP-UHFFFAOYSA-N -1 2 362.190 3.229 20 10 FGCDLM