smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c2ccccc12 ZINC000512946594 844025893 /nfs/dbraw/zinc/02/58/93/844025893.db2.gz BUFLQYITZDIRLY-UHFFFAOYSA-N -2 1 389.404 3.877 20 0 GHADML C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1C(F)(F)F ZINC000547895621 837372914 /nfs/dbraw/zinc/37/29/14/837372914.db2.gz IJSIJRLMMFTDAT-BXUZGUMPSA-N -2 1 399.818 3.671 20 0 GHADML CCc1nc2cc(S(=O)(=O)[N-]c3ccc(Cl)c(C(=O)[O-])c3)ccc2o1 ZINC000548197406 842061440 /nfs/dbraw/zinc/06/14/40/842061440.db2.gz VWSZBHUTCMOSIP-UHFFFAOYSA-N -2 1 380.809 3.543 20 0 GHADML O=P([O-])([O-])C1(Nc2ccc(F)c(OC(F)(F)F)c2)Cc2ccccc2C1 ZINC001167936670 844776656 /nfs/dbraw/zinc/77/66/56/844776656.db2.gz LSARNVAFDDJPIP-UHFFFAOYSA-N -2 1 391.257 3.809 20 0 GHADML CCCc1ccc(-c2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])cs3)[nH]n2)cc1 ZINC000673896843 862056924 /nfs/dbraw/zinc/05/69/24/862056924.db2.gz BUGGQMFHNFDDID-UHFFFAOYSA-N -2 1 391.474 3.590 20 0 GHADML CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-n2nc(C)cc2C)c1 ZINC000515630230 851270478 /nfs/dbraw/zinc/27/04/78/851270478.db2.gz XINXDIMQESTWOO-UHFFFAOYSA-N -2 1 399.472 3.551 20 0 GHADML CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000572801020 854993268 /nfs/dbraw/zinc/99/32/68/854993268.db2.gz CYJFSDMPORBXLK-UHFFFAOYSA-N -2 1 383.853 3.767 20 0 GHADML Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1O ZINC000590385061 855375108 /nfs/dbraw/zinc/37/51/08/855375108.db2.gz QOXZVRAYHOOQLE-UHFFFAOYSA-N -2 1 377.462 3.806 20 0 GHADML Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(NC(=O)CC(C)C)cc1 ZINC000591679215 856199952 /nfs/dbraw/zinc/19/99/52/856199952.db2.gz MZUQKBILFCXCKI-UHFFFAOYSA-N -2 1 396.490 3.540 20 0 GHADML CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000013278870 857130040 /nfs/dbraw/zinc/13/00/40/857130040.db2.gz NLCULPULKNGHPU-UHFFFAOYSA-N -2 1 391.392 3.926 20 0 GHADML Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(SC(F)F)cc1 ZINC000060800580 860068901 /nfs/dbraw/zinc/06/89/01/860068901.db2.gz XQFIPBNLNYHIAY-UHFFFAOYSA-N -2 1 391.392 3.948 20 0 GHADML CC[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2[O-])C1 ZINC000097261008 860209338 /nfs/dbraw/zinc/20/93/38/860209338.db2.gz IDPPZVUHZJTAEF-CYBMUJFWSA-N -2 1 394.518 3.517 20 0 GHADML CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccccc2-n2ccc(C(=O)[O-])n2)cc1 ZINC000605613279 863195748 /nfs/dbraw/zinc/19/57/48/863195748.db2.gz DGAFUXQAXYHMJZ-AWEZNQCLSA-N -2 1 399.472 3.885 20 0 GHADML Cc1cc(OC(C)C)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000327757519 864782328 /nfs/dbraw/zinc/78/23/28/864782328.db2.gz OGULKWZZGGWDQM-UHFFFAOYSA-N -2 1 383.853 3.935 20 0 GHADML Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]c1cccc2c1ccn2C ZINC000534261984 866420763 /nfs/dbraw/zinc/42/07/63/866420763.db2.gz AEBKRJSULXYAFF-UHFFFAOYSA-N -2 1 378.837 3.639 20 0 GHADML CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2C)c1 ZINC000479336332 867613431 /nfs/dbraw/zinc/61/34/31/867613431.db2.gz UKAKZLAHFHNSJS-LLVKDONJSA-N -2 1 383.853 3.855 20 0 GHADML Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OC(F)(F)F)c1 ZINC000793359690 882123230 /nfs/dbraw/zinc/12/32/30/882123230.db2.gz WDUGODZRUGWION-UHFFFAOYSA-N -2 1 393.314 3.532 20 0 GHADML O=C([O-])c1cccc([N-]S(=O)(=O)c2c(Cl)cc(F)cc2Cl)c1F ZINC000427303333 882271667 /nfs/dbraw/zinc/27/16/67/882271667.db2.gz ZFLORRWUCYPYDR-UHFFFAOYSA-N -2 1 382.171 3.771 20 0 GHADML CSc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1Cl ZINC000463510413 871906770 /nfs/dbraw/zinc/90/67/70/871906770.db2.gz BEEFFZFHBMDHSZ-UHFFFAOYSA-N -2 1 375.830 3.700 20 0 GHADML O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)ccc1Cl ZINC000447776401 872264112 /nfs/dbraw/zinc/26/41/12/872264112.db2.gz ILSGBIWUUCZPLX-UHFFFAOYSA-N -2 1 395.742 3.580 20 0 GHADML Cc1cc(O)cc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)c1 ZINC001196096750 872878028 /nfs/dbraw/zinc/87/80/28/872878028.db2.gz OGISEGZRYODGOI-UHFFFAOYSA-N -2 1 383.425 3.867 20 0 GHADML O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(SC(F)F)c2)cc1F ZINC000768498688 873338345 /nfs/dbraw/zinc/33/83/45/873338345.db2.gz CIEWLPQPAACKHO-UHFFFAOYSA-N -2 1 377.365 3.639 20 0 GHADML O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000541932486 874581361 /nfs/dbraw/zinc/58/13/61/874581361.db2.gz ILKHZFZIXMEAJI-UHFFFAOYSA-N -2 1 399.415 3.539 20 0 GHADML Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c1Cl ZINC000814212798 892398371 /nfs/dbraw/zinc/39/83/71/892398371.db2.gz YOSMVYXWDDZVCJ-UHFFFAOYSA-N -2 1 379.743 3.565 20 0 GHADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(OCC2CC2)c(F)c1 ZINC001185917661 914199625 /nfs/dbraw/zinc/19/96/25/914199625.db2.gz HUUMTHHUBAUSGK-UHFFFAOYSA-N -2 1 397.399 3.561 20 0 GHADML Cc1ccc(OC(F)(F)F)cc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC001186188295 914350240 /nfs/dbraw/zinc/35/02/40/914350240.db2.gz JGWUVLSJERSZSR-UHFFFAOYSA-N -2 1 393.314 3.532 20 0 GHADML Cc1cc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)cc(C(=O)[O-])c1F ZINC000134043411 899489865 /nfs/dbraw/zinc/48/98/65/899489865.db2.gz OBHVXBSXYOUHNT-UHFFFAOYSA-N -2 1 391.424 3.564 20 0 GHADML Cc1cc(C(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC000333965753 902463797 /nfs/dbraw/zinc/46/37/97/902463797.db2.gz QHCSNLMUNQLZFT-KRWDZBQOSA-N -2 1 390.443 3.502 20 0 GHADML O=C([O-])c1ccc(CS(=O)(=O)[N-]c2ccccc2OCc2ccccc2)cc1 ZINC000641694086 911486248 /nfs/dbraw/zinc/48/62/48/911486248.db2.gz OILBCUGLHCLPSE-UHFFFAOYSA-N -2 1 397.452 3.906 20 0 GHADML COc1cc(C)c([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)cc1F ZINC000775294735 916842544 /nfs/dbraw/zinc/84/25/44/916842544.db2.gz STNHJHHQUXPMPG-UHFFFAOYSA-N -2 1 387.816 3.604 20 0 GHADML Cc1nc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(Cl)cc1Cl ZINC001192107012 918411825 /nfs/dbraw/zinc/41/18/25/918411825.db2.gz VGHHZMLIZTYUOG-UHFFFAOYSA-N -2 1 389.260 3.515 20 0 GHADML O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)ccc1F ZINC000013262061 919320525 /nfs/dbraw/zinc/32/05/25/919320525.db2.gz IDNKHMLOPSOZAV-UHFFFAOYSA-N -2 1 383.400 3.896 20 0 GHADML CCC(CC)[C@@H](NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[n-]1)c1ccccc1 ZINC000469588481 930009891 /nfs/dbraw/zinc/00/98/91/930009891.db2.gz IAUACCNDDGUTJE-QGZVFWFLSA-N -2 1 380.448 3.652 20 0 GHADML COc1ccc([N-]S(=O)(=O)c2cc(C)c(Cl)c(C(=O)[O-])c2)cc1Cl ZINC000759090542 930269644 /nfs/dbraw/zinc/26/96/44/930269644.db2.gz ICKUVXFQUUFPSF-UHFFFAOYSA-N -2 1 390.244 3.809 20 0 GHADML COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000558851853 932274194 /nfs/dbraw/zinc/27/41/94/932274194.db2.gz NEWQRZLFKYAGSL-UHFFFAOYSA-N -2 1 390.244 3.642 20 0 GHADML Cc1cc(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)cc(C(=O)[O-])c1Cl ZINC000830008771 935889576 /nfs/dbraw/zinc/88/95/76/935889576.db2.gz HYJFKOCDGNCDJY-CYBMUJFWSA-N -2 1 395.864 3.651 20 0 GHADML Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(CCC(=O)[O-])c1 ZINC000322422807 970886636 /nfs/dbraw/zinc/88/66/36/970886636.db2.gz MHWQLMKUJGUOMH-UHFFFAOYSA-N -2 1 398.278 3.576 20 0 GHADML CC(C)C[C@H](C[N-]S(=O)(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC001603017906 972072214 /nfs/dbraw/zinc/07/22/14/972072214.db2.gz GEGZXZAREXORFG-SNVBAGLBSA-N -2 1 375.899 3.580 20 0 GHADML CCC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1F ZINC001595622989 981716504 /nfs/dbraw/zinc/71/65/04/981716504.db2.gz ZLAMFLQCWKVLIJ-NEPJUHHUSA-N -2 1 375.437 3.548 20 0 GHADML CCOc1cc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)cc(Cl)c1[O-] ZINC001596994483 986290363 /nfs/dbraw/zinc/29/03/63/986290363.db2.gz HULFMAGXBXARGC-UHFFFAOYSA-N -2 1 391.851 3.952 20 0 GHADML CCOc1cc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cc(Cl)c1[O-] ZINC001596994487 986290631 /nfs/dbraw/zinc/29/06/31/986290631.db2.gz ICIWMECNSUVGCH-CYBMUJFWSA-N -2 1 391.851 3.807 20 0 GHADML C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc(-c2ccc(C=O)o2)ccc1[O-])c1ccccc1 ZINC001589462607 986919291 /nfs/dbraw/zinc/91/92/91/986919291.db2.gz RDWZJFPAYCFDGQ-ZUOKHONESA-N -2 1 393.395 3.657 20 0 GHADML CCc1nc(S[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)[O-])[n-]c(=O)c1C ZINC001597690364 988868273 /nfs/dbraw/zinc/86/82/73/988868273.db2.gz SMOMJGRGHSSFFZ-ZDUSSCGKSA-N -2 1 386.395 3.860 20 0 GHADML CC(C)[C@@](C)(Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001590968648 991091977 /nfs/dbraw/zinc/09/19/77/991091977.db2.gz SPZRAKVRYVNJAX-QGZVFWFLSA-N -2 1 385.869 3.567 20 0 GHADML COc1cc(C)c(S(=O)(=O)[N-]c2cc3[nH]ccc3c(C(=O)[O-])c2)cc1Cl ZINC001599393451 997080925 /nfs/dbraw/zinc/08/09/25/997080925.db2.gz MCFGSXHVIDYRTG-UHFFFAOYSA-N -2 1 394.836 3.637 20 0 GHADML C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2F)CC(C)(C)C1 ZINC001594235376 998895287 /nfs/dbraw/zinc/89/52/87/998895287.db2.gz GHZNOTUNPUHCGV-RYUDHWBXSA-N -2 1 389.464 3.794 20 0 GHADML Cc1ccc2c(c1)nc(Cl)nc2NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001157157554 1033437793 /nfs/dbraw/zinc/43/77/93/1033437793.db2.gz SYKNGFLXHWIZQT-UHFFFAOYSA-N -2 1 389.779 3.676 20 0 GHADML COc1cccc(Cl)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259220858 1045018663 /nfs/dbraw/zinc/01/86/63/1045018663.db2.gz UTKBLBSXJQWRKE-UHFFFAOYSA-N -2 1 394.207 3.640 20 0 GHADML O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(F)c2F)c1 ZINC001260216465 1045417454 /nfs/dbraw/zinc/41/74/54/1045417454.db2.gz JDRCIVOJRKMPSA-UHFFFAOYSA-N -2 1 399.268 3.622 20 0 GHADML CCc1ccc(Br)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260229087 1045420975 /nfs/dbraw/zinc/42/09/75/1045420975.db2.gz PISIQXLSDLDXQR-UHFFFAOYSA-N -2 1 384.251 3.511 20 0 GHADML Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c2ncccc12 ZINC000392706869 1047631779 /nfs/dbraw/zinc/63/17/79/1047631779.db2.gz ISYZPPKINUBWOC-UHFFFAOYSA-N -2 1 376.821 3.696 20 0 GHADML O=C(Nc1nc(Cl)ccc1[O-])c1cc(Cl)cc(Br)c1[O-] ZINC001306825600 1048917101 /nfs/dbraw/zinc/91/71/01/1048917101.db2.gz DYBWCPHUDFLZLO-UHFFFAOYSA-N -2 1 378.009 3.814 20 0 GHADML CC[C@@H](Cc1ccc([N-]S(=O)(=O)c2ccc3nc(C)oc3c2)cc1)C(=O)[O-] ZINC001321769299 1056390111 /nfs/dbraw/zinc/39/01/11/1056390111.db2.gz FWSMCXFKYAPARW-AWEZNQCLSA-N -2 1 388.445 3.590 20 0 GHADML Cc1cc(Cl)cc(C)c1[N-]S(=O)(=O)c1ccc(C(=O)CCC(=O)[O-])cc1 ZINC001341083347 1060383307 /nfs/dbraw/zinc/38/33/07/1060383307.db2.gz XFJOXVUKEDBWTL-UHFFFAOYSA-N -2 1 395.864 3.805 20 0 GHADML COc1cc([N-]S(=O)(=O)c2cccc(Cl)c2[O-])cc(OC)c1C(C)C ZINC000451033646 450603234 /nfs/dbraw/zinc/60/32/34/450603234.db2.gz YJFIUDLLOHNSEG-UHFFFAOYSA-N -2 1 385.869 3.987 20 0 GHADML CCCCCOc1ccc(S(=O)(=O)[N-]c2cccc(F)c2C(=O)[O-])cc1 ZINC000736990879 599850588 /nfs/dbraw/zinc/85/05/88/599850588.db2.gz XPCLHHPZWWZOMO-UHFFFAOYSA-N -2 1 381.425 3.894 20 0 GHADML Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1N1CCCC1 ZINC000738291007 600103781 /nfs/dbraw/zinc/10/37/81/600103781.db2.gz NZRHSTKYSSNJKI-UHFFFAOYSA-N -2 1 394.880 3.748 20 0 GHADML CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccc(CC(=O)[O-])cc3)ccc2o1 ZINC000174999373 600626258 /nfs/dbraw/zinc/62/62/58/600626258.db2.gz ZHBWMCBHSVLXQV-UHFFFAOYSA-N -2 1 388.445 3.553 20 0 GHADML CC(C)C[C@@H](C[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl)C(=O)[O-] ZINC000316368814 600764329 /nfs/dbraw/zinc/76/43/29/600764329.db2.gz BGIPEZXHXUMNKF-QMMMGPOBSA-N -2 1 388.700 3.672 20 0 GHADML O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000740074871 600886220 /nfs/dbraw/zinc/88/62/20/600886220.db2.gz FJTMKMIIBQEFOM-UHFFFAOYSA-N -2 1 390.642 3.602 20 0 GHADML CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(CSCC(=O)[O-])c2)c1 ZINC000736522515 601048027 /nfs/dbraw/zinc/04/80/27/601048027.db2.gz HDPMOGRDZINHPZ-UHFFFAOYSA-N -2 1 379.503 3.929 20 0 GHADML CC(=O)c1ccc([O-])c(CCOC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])c1 ZINC000825957376 601113778 /nfs/dbraw/zinc/11/37/78/601113778.db2.gz UAKUEUYTKHJVIL-ZDUSSCGKSA-N -2 1 388.441 3.560 20 0 GHADML CSc1nc2ccc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)cc2s1 ZINC000013362549 601317508 /nfs/dbraw/zinc/31/75/08/601317508.db2.gz LBAONBOJBZPRSJ-UHFFFAOYSA-N -2 1 398.462 3.656 20 0 GHADML C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000066814104 601331007 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Cc1ccc(Cc2ccccn2)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000509377009 859225987 /nfs/dbraw/zinc/22/59/87/859225987.db2.gz DJKGXQCZGDNHBV-UHFFFAOYSA-N -2 1 396.468 3.788 20 0 GHADML CCn1cc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2C)cc1C(=O)[O-] ZINC000535052982 860254028 /nfs/dbraw/zinc/25/40/28/860254028.db2.gz DGEFZRNCGHUINE-UHFFFAOYSA-N -2 1 384.457 3.982 20 0 GHADML CCCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1OCCC ZINC000013347586 860341247 /nfs/dbraw/zinc/34/12/47/860341247.db2.gz NIBPGDXNVLCSPZ-UHFFFAOYSA-N -2 1 393.461 3.763 20 0 GHADML O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)c1ccc(OC2CCCC2)cc1 ZINC000920245824 881971539 /nfs/dbraw/zinc/97/15/39/881971539.db2.gz RZKFGYRCWNKZKB-UHFFFAOYSA-N -2 1 379.409 3.646 20 0 GHADML CCOc1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)cc1F ZINC000479264329 867455168 /nfs/dbraw/zinc/45/51/68/867455168.db2.gz CLUZNRHMDJUXAR-UHFFFAOYSA-N -2 1 387.816 3.685 20 0 GHADML CO[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(Cl)c(C)c(C(=O)[O-])c2)c1 ZINC000479268837 867491948 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GHADML COCc1ccc([N-]S(=O)(=O)c2ccc(-c3cccc(C(=O)[O-])c3)cc2)cc1 ZINC001196096707 872877701 /nfs/dbraw/zinc/87/77/01/872877701.db2.gz MHIJMHCGVGEXJZ-UHFFFAOYSA-N -2 1 397.452 3.999 20 0 GHADML COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c1F ZINC000769890803 874355001 /nfs/dbraw/zinc/35/50/01/874355001.db2.gz OSBHTOHWSCUNGS-UHFFFAOYSA-N -2 1 394.207 3.640 20 0 GHADML CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1Cl ZINC000327959202 884234863 /nfs/dbraw/zinc/23/48/63/884234863.db2.gz VBKIMPYCASUETF-UHFFFAOYSA-N -2 1 387.816 3.767 20 0 GHADML COc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)cc1Cl ZINC000328046126 884458409 /nfs/dbraw/zinc/45/84/09/884458409.db2.gz GFWPBDKXXHXFRA-LLVKDONJSA-N -2 1 383.853 3.728 20 0 GHADML CC(C)(C)c1cc([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)[nH]n1 ZINC000761906284 884965184 /nfs/dbraw/zinc/96/51/84/884965184.db2.gz BMGISCCQHBWKPV-UHFFFAOYSA-N -2 1 392.264 3.513 20 0 GHADML Cc1cc(C)c([N-]S(=O)(=O)c2cc(Cl)c(Cl)c(C(=O)[O-])c2)cc1O ZINC000762454817 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380.784 3.526 20 0 GHADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3ncc(Cl)cc23)ccc1F ZINC001186190624 914351579 /nfs/dbraw/zinc/35/15/79/914351579.db2.gz LVQPQJGDUQIXQF-UHFFFAOYSA-N -2 1 380.784 3.526 20 0 GHADML O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3nc(Cl)ccc23)ccc1F ZINC001186193334 914352924 /nfs/dbraw/zinc/35/29/24/914352924.db2.gz ORQFBAAKNNBRBE-UHFFFAOYSA-N -2 1 380.784 3.526 20 0 GHADML O=C([O-])c1cc(S(=O)(=O)[N-]c2c(F)cccc2OC2CCCC2)ccc1F ZINC001186193806 914353067 /nfs/dbraw/zinc/35/30/67/914353067.db2.gz XBANRHKYALEAFJ-UHFFFAOYSA-N -2 1 397.399 3.785 20 0 GHADML COc1cc(C(=O)Nc2ccc(F)c(Br)c2[O-])cc(Cl)c1[O-] ZINC001191148890 917785104 /nfs/dbraw/zinc/78/51/04/917785104.db2.gz UBNJHQNBOWDMJG-UHFFFAOYSA-N -2 1 390.592 3.914 20 0 GHADML Cc1cc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c2cccc(F)c2n1 ZINC001192110584 918415808 /nfs/dbraw/zinc/41/58/08/918415808.db2.gz YJBGHOSEJUPBSG-UHFFFAOYSA-N -2 1 388.420 3.500 20 0 GHADML O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cccc(Oc3cccnc3)c2)cc1 ZINC001192140623 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