smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1nc(=O)c2sccc2[n-]1)Cc1c([O-])cccc1Cl ZINC001324006492 1387508243 /nfs/dbraw/zinc/50/82/43/1387508243.db2.gz IBRQTUUCNZSBPN-UHFFFAOYSA-N -2 3 335.816 3.388 20 10 EGCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(COC(C)C)c2)cc1 ZINC000290507542 456348712 /nfs/dbraw/zinc/34/87/12/456348712.db2.gz LIRBQUMCRJOFMX-UHFFFAOYSA-N -2 3 335.425 3.426 20 10 EGCDHL Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000755987041 601491990 /nfs/dbraw/zinc/49/19/90/601491990.db2.gz XPLJCEHBUVZRLH-UHFFFAOYSA-N -2 3 349.408 3.323 20 10 EGCDHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C(C)C)ccc1O ZINC000771219663 1303376541 /nfs/dbraw/zinc/37/65/41/1303376541.db2.gz LRRGARHODDZYKF-UHFFFAOYSA-N -2 3 349.408 3.323 20 10 EGCDHL CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1 ZINC001191820630 1367600361 /nfs/dbraw/zinc/60/03/61/1367600361.db2.gz DMKONXLJOJGLER-UHFFFAOYSA-N -2 3 325.361 3.039 20 10 EGCDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1ccc2occc2c1 ZINC001198859753 1369132995 /nfs/dbraw/zinc/13/29/95/1369132995.db2.gz ZZZONSQVRSJPBS-UHFFFAOYSA-N -2 3 325.292 3.217 20 10 EGCDHL CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1 ZINC000013464021 957093706 /nfs/dbraw/zinc/09/37/06/957093706.db2.gz HZIHUWKGXPCDKA-LLVKDONJSA-N -2 3 349.408 3.405 20 10 EGCDHL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000380614794 1297545209 /nfs/dbraw/zinc/54/52/09/1297545209.db2.gz QRBZYNKZYYNUDV-UHFFFAOYSA-N -2 3 333.196 3.203 20 10 EGCDHL Cc1cc(Cl)ncc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC001192355015 1367761764 /nfs/dbraw/zinc/76/17/64/1367761764.db2.gz DPASXPMBHADTFE-UHFFFAOYSA-N -2 3 333.196 3.203 20 10 EGCDHL Cc1cccc(Cl)c1S(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC001195308019 1368417699 /nfs/dbraw/zinc/41/76/99/1368417699.db2.gz FNQJDDMMAFDNNJ-UHFFFAOYSA-N -2 3 333.743 3.433 20 10 EGCDHL O=C([O-])CCSCc1cccc(NC(=O)c2cc([O-])cs2)c1 ZINC000739753519 576503434 /nfs/dbraw/zinc/50/34/34/576503434.db2.gz OYNVVCYWTWHZLX-UHFFFAOYSA-N -2 3 337.422 3.414 20 10 EGCDHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)c1 ZINC001189609823 1367067195 /nfs/dbraw/zinc/06/71/95/1367067195.db2.gz UMJGDCCTWSGCPH-UHFFFAOYSA-N -2 3 349.742 3.133 20 10 EGCDHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1 ZINC000013464019 957093969 /nfs/dbraw/zinc/09/39/69/957093969.db2.gz DVSRFJXCCUVVIG-UHFFFAOYSA-N -2 3 335.381 3.015 20 10 EGCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1F)c1cccc2c1CCCC2 ZINC000830184831 1292680566 /nfs/dbraw/zinc/68/05/66/1292680566.db2.gz PNZYWGHBZVVJRF-UHFFFAOYSA-N -2 3 339.363 3.350 20 10 EGCDHL O=S(=O)([N-]c1ccc([O-])cc1F)c1cc2c(s1)CCCC2 ZINC001187206486 1388071177 /nfs/dbraw/zinc/07/11/77/1388071177.db2.gz DCKWQIRRLQGURQ-UHFFFAOYSA-N -2 3 327.402 3.272 20 10 EGCDHL O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc2c(c1)CCCO2 ZINC000776751209 1304193519 /nfs/dbraw/zinc/19/35/19/1304193519.db2.gz QXTYTFLPWSXWSF-UHFFFAOYSA-N -2 3 339.800 3.171 20 10 EGCDHL Cc1nc(CNCc2cc(Cl)cc(Cl)c2[O-])ccc1C(=O)[O-] ZINC000756314416 1300467609 /nfs/dbraw/zinc/46/76/09/1300467609.db2.gz YUZGZGVLXANKLC-UHFFFAOYSA-N -2 3 341.194 3.390 20 10 EGCDHL CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000790416104 1306322797 /nfs/dbraw/zinc/32/27/97/1306322797.db2.gz PYWDPBMLDKGMAG-UHFFFAOYSA-N -2 3 349.408 3.070 20 10 EGCDHL COc1ccc2cc(S(=O)(=O)[N-]c3ccc([O-])c(F)c3)ccc2c1 ZINC001191963078 1367650405 /nfs/dbraw/zinc/65/04/05/1367650405.db2.gz IQRNKGQXGPKLIV-UHFFFAOYSA-N -2 3 347.367 3.494 20 10 EGCDHL O=C([O-])c1coc(CN(Cc2ccco2)Cc2ccccc2[O-])c1 ZINC000740268662 576571736 /nfs/dbraw/zinc/57/17/36/576571736.db2.gz JGNZBKYKEQWZDE-UHFFFAOYSA-N -2 3 327.336 3.479 20 10 EGCDHL O=S(=O)(CCc1ccccc1)[N-]c1cc(Cl)c([O-])cc1F ZINC000808114389 1317626960 /nfs/dbraw/zinc/62/69/60/1317626960.db2.gz WMEPOBDITCZWII-UHFFFAOYSA-N -2 3 329.780 3.169 20 10 EGCDHL CCc1cc2c(COC(=O)c3cc([O-])cs3)cc(=O)oc2cc1[O-] ZINC000732354191 575261655 /nfs/dbraw/zinc/26/16/55/575261655.db2.gz HDBBVWFQEQNGGW-UHFFFAOYSA-N -2 3 346.360 3.185 20 10 EGCDHL CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000790411941 1306320663 /nfs/dbraw/zinc/32/06/63/1306320663.db2.gz WYOWTNCIKQWZKK-UHFFFAOYSA-N -2 3 349.408 3.070 20 10 EGCDHL O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1ccc(F)c(F)c1 ZINC000808114388 1317626903 /nfs/dbraw/zinc/62/69/03/1317626903.db2.gz WLFQFDOPHHFHIN-UHFFFAOYSA-N -2 3 337.706 3.264 20 10 EGCDHL Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C(C)C ZINC000743259607 576804365 /nfs/dbraw/zinc/80/43/65/576804365.db2.gz GHUBZPAEIDBPGN-UHFFFAOYSA-N -2 3 349.408 3.323 20 10 EGCDHL O=C([O-])CN(Cc1cnc(Cl)s1)Cc1cc(Cl)ccc1[O-] ZINC000833249325 601145037 /nfs/dbraw/zinc/14/50/37/601145037.db2.gz BZVNFMSTZBYFEL-UHFFFAOYSA-N -2 3 347.223 3.242 20 10 EGCDHL CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1 ZINC000391921146 605523265 /nfs/dbraw/zinc/52/32/65/605523265.db2.gz UBLNKMPOPRVWOR-UHFFFAOYSA-N -2 3 349.408 3.090 20 10 EGCDHL CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1 ZINC000808113921 1317625520 /nfs/dbraw/zinc/62/55/20/1317625520.db2.gz MDBCNGZTEVIJPH-UHFFFAOYSA-N -2 3 343.763 3.188 20 10 EGCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1cc2c(s1)CCCC2 ZINC001187206980 1388071206 /nfs/dbraw/zinc/07/12/06/1388071206.db2.gz OAAUAALSNZAMFM-UHFFFAOYSA-N -2 3 327.402 3.272 20 10 EGCDHL O=C([O-])[C@H](NCc1c([O-])ccc(Cl)c1F)c1cc(F)ccc1F ZINC000756369039 978699735 /nfs/dbraw/zinc/69/97/35/978699735.db2.gz XTRRENGAIKIEDC-CQSZACIVSA-N -2 3 345.704 3.378 20 10 EGCDHL CCCN(CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)Cc1ccccc1[O-] ZINC000737018948 576082240 /nfs/dbraw/zinc/08/22/40/576082240.db2.gz YBNMKVINDAWOBU-UHFFFAOYSA-N -2 3 344.411 3.130 20 10 EGCDHL CC(C)c1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000917716450 1319864835 /nfs/dbraw/zinc/86/48/35/1319864835.db2.gz ZTNGMDLYROBMHV-UHFFFAOYSA-N -2 3 335.381 3.015 20 10 EGCDHL O=S(=O)(CCc1cccs1)[N-]c1cc(Cl)c([O-])cc1F ZINC000811701801 1318232091 /nfs/dbraw/zinc/23/20/91/1318232091.db2.gz GZQUIPHSVIQQDT-UHFFFAOYSA-N -2 3 335.809 3.231 20 10 EGCDHL CO[C@@H](CS(=O)(=O)[N-]c1ccc([O-])c(F)c1F)C1CCCCC1 ZINC000849309108 1322110684 /nfs/dbraw/zinc/11/06/84/1322110684.db2.gz BDLJLYFPZUGOAQ-ZDUSSCGKSA-N -2 3 349.399 3.007 20 10 EGCDHL O=C([O-])N1CCN(Cc2cc3oc4ccccc4c3cc2[O-])CC1 ZINC000739927295 576520985 /nfs/dbraw/zinc/52/09/85/576520985.db2.gz MXXPMLHPPPIGRU-UHFFFAOYSA-N -2 3 326.352 3.087 20 10 EGCDHL C[C@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1cc(F)cc(F)c1[O-] ZINC001593299753 994724434 /nfs/dbraw/zinc/72/44/34/994724434.db2.gz VHXFWEODWSSJDX-ZETCQYMHSA-N -2 3 342.729 3.268 20 10 EGCDHL CC(=O)c1cc([O-])ccc1[N-]S(=O)(=O)c1c[nH]c2cccc(F)c21 ZINC000408514140 457572389 /nfs/dbraw/zinc/57/23/89/457572389.db2.gz WIHQNOXSRUOSJC-UHFFFAOYSA-N -2 3 348.355 3.016 20 10 EGCDHL Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000832899722 601492812 /nfs/dbraw/zinc/49/28/12/601492812.db2.gz RLMNJKLEYBIUHG-UHFFFAOYSA-N -2 3 349.408 3.323 20 10 EGCDHL O=C(Cc1ccc([O-])c(F)c1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000857508144 1328542543 /nfs/dbraw/zinc/54/25/43/1328542543.db2.gz NBNYOUASVUMHPS-UHFFFAOYSA-N -2 3 344.169 3.403 20 10 EGCDHL CSc1ccc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])o1 ZINC001599812730 988366274 /nfs/dbraw/zinc/36/62/74/988366274.db2.gz AVMAYOGKBOKYKC-UHFFFAOYSA-N -2 3 341.816 3.447 20 10 EGCDHL COCc1ccccc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F ZINC000808113692 1317625484 /nfs/dbraw/zinc/62/54/84/1317625484.db2.gz GGQNGWVUHKCZDJ-UHFFFAOYSA-N -2 3 345.779 3.132 20 10 EGCDHL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c(C)c1 ZINC000808115341 1317627043 /nfs/dbraw/zinc/62/70/43/1317627043.db2.gz YOLVBXZSGVTZBO-UHFFFAOYSA-N -2 3 345.779 3.303 20 10 EGCDHL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1 ZINC000013464018 957094350 /nfs/dbraw/zinc/09/43/50/957094350.db2.gz MNRKNXJAFYXYJN-UHFFFAOYSA-N -2 3 349.408 3.189 20 10 EGCDHL CC(C)c1ocnc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001592108912 976898612 /nfs/dbraw/zinc/89/86/12/976898612.db2.gz ZAVQCQPVWBTHCT-UHFFFAOYSA-N -2 3 338.791 3.244 20 10 EGCDHL CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1 ZINC000776434979 978748882 /nfs/dbraw/zinc/74/88/82/978748882.db2.gz UPZROCVFTRFQES-UHFFFAOYSA-N -2 3 335.381 3.015 20 10 EGCDHL O=C([O-])CN(Cc1ccc(F)cc1F)Cc1cc(Cl)ccc1[O-] ZINC000833249207 601549651 /nfs/dbraw/zinc/54/96/51/601549651.db2.gz LJYKTYMZWRWUML-UHFFFAOYSA-N -2 3 341.741 3.411 20 10 EGCDHL [O-]c1c(Cl)cc(Cl)cc1CNc1cccc(-c2nn[n-]n2)c1 ZINC000378914249 608867460 /nfs/dbraw/zinc/86/74/60/608867460.db2.gz VIAFBGACCGUGPG-UHFFFAOYSA-N -2 3 336.182 3.491 20 10 EGCDHL O=S(=O)([N-]c1ccc([O-])cc1F)c1c(Cl)ccc(F)c1F ZINC000790067229 1306256494 /nfs/dbraw/zinc/25/64/94/1306256494.db2.gz ARYUINIKSORXRA-UHFFFAOYSA-N -2 3 337.706 3.264 20 10 EGCDHL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1F ZINC000808115416 1317626452 /nfs/dbraw/zinc/62/64/52/1317626452.db2.gz BMBRJHSTAZJIAZ-UHFFFAOYSA-N -2 3 333.743 3.433 20 10 EGCDHL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2Cl)cn1 ZINC001198313759 1369006575 /nfs/dbraw/zinc/00/65/75/1369006575.db2.gz AQSRGJXDMPGOJW-UHFFFAOYSA-N -2 3 333.196 3.203 20 10 EGCDHL COCc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1 ZINC000808113626 1317625367 /nfs/dbraw/zinc/62/53/67/1317625367.db2.gz DYNHIDLTLWBBHO-UHFFFAOYSA-N -2 3 345.779 3.132 20 10 EGCDHL Cc1nc2ccc(S(=O)(=O)[N-]c3ccc([O-])c(Cl)c3)cc2o1 ZINC001338808889 1389774214 /nfs/dbraw/zinc/77/42/14/1389774214.db2.gz VKHVUDLREIFGOJ-UHFFFAOYSA-N -2 3 338.772 3.296 20 10 EGCDHL O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1ccc2c(c1)COC2 ZINC000808113879 1317625804 /nfs/dbraw/zinc/62/58/04/1317625804.db2.gz KDMLFKCJTXMLCO-UHFFFAOYSA-N -2 3 343.763 3.016 20 10 EGCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1)c1ccc(Cl)nc1Cl ZINC001187961219 1388198830 /nfs/dbraw/zinc/19/88/30/1388198830.db2.gz PCPSIIQBXQHXKI-UHFFFAOYSA-N -2 3 337.159 3.034 20 10 EGCDHL CC(C)OCc1cc([N-]S(=O)(=O)c2ccc(F)cc2)ccc1[O-] ZINC000290453204 456333218 /nfs/dbraw/zinc/33/32/18/456333218.db2.gz DJHLOYUWNDKASW-UHFFFAOYSA-N -2 3 339.388 3.257 20 10 EGCDHL CCc1nc(CNCc2c([O-])ccc(Cl)c2F)ccc1C(=O)[O-] ZINC000756314401 1300467737 /nfs/dbraw/zinc/46/77/37/1300467737.db2.gz YMRDEOXSMWAYHY-UHFFFAOYSA-N -2 3 338.766 3.130 20 10 EGCDHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)c1 ZINC001189606196 1367065880 /nfs/dbraw/zinc/06/58/80/1367065880.db2.gz ZBMYKZOTGNBEML-UHFFFAOYSA-N -2 3 349.742 3.133 20 10 EGCDHL Cc1cccc(S(=O)(=O)[N-]c2ccc([O-])c(COC(C)C)c2)c1 ZINC000290515290 456349786 /nfs/dbraw/zinc/34/97/86/456349786.db2.gz MCQLBGFRNKKTIN-UHFFFAOYSA-N -2 3 335.425 3.426 20 10 EGCDHL Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000126120871 1293525997 /nfs/dbraw/zinc/52/59/97/1293525997.db2.gz CXNCWUPHXCWLGL-UHFFFAOYSA-N -2 3 342.760 3.063 20 10 EGCDHL O=C([O-])c1cnc(C=Cc2ccc(N3CCCCC3)cc2)[n-]c1=O ZINC000752878300 1299811287 /nfs/dbraw/zinc/81/12/87/1299811287.db2.gz CDQSXAAOKFDOQN-TWGQIWQCSA-N -2 3 325.368 3.041 20 10 EGCDHL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1F ZINC000808114437 1317626941 /nfs/dbraw/zinc/62/69/41/1317626941.db2.gz YCURCVXTHFCZIE-UHFFFAOYSA-N -2 3 349.742 3.133 20 10 EGCDHL Cc1ccccc1S(=O)(=O)[N-]c1ccc([O-])c(COC(C)C)c1 ZINC000290569898 456367246 /nfs/dbraw/zinc/36/72/46/456367246.db2.gz TZRQDUGQNWHGOW-UHFFFAOYSA-N -2 3 335.425 3.426 20 10 EGCDHL CCc1nc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cs1 ZINC000737280125 576197708 /nfs/dbraw/zinc/19/77/08/576197708.db2.gz OTQQFUDFEMBDOE-UHFFFAOYSA-N -2 3 340.832 3.151 20 10 EGCDHL O=C([O-])CN(Cc1ccncc1Cl)Cc1cc(Cl)ccc1[O-] ZINC000833249503 601115761 /nfs/dbraw/zinc/11/57/61/601115761.db2.gz STWRSXAQQVABEN-UHFFFAOYSA-N -2 3 341.194 3.181 20 10 EGCDHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F ZINC000808113574 1317625872 /nfs/dbraw/zinc/62/58/72/1317625872.db2.gz CYBAKIDATYVKJT-UHFFFAOYSA-N -2 3 333.743 3.433 20 10 EGCDHL O=C([O-])C1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708072209 954990795 /nfs/dbraw/zinc/99/07/95/954990795.db2.gz QAIDBBZMHDYEAX-UHFFFAOYSA-N -2 3 348.624 3.105 20 10 EGCDHL CC(C)OCc1cc([N-]S(=O)(=O)c2ccccc2F)ccc1[O-] ZINC000290536522 456358139 /nfs/dbraw/zinc/35/81/39/456358139.db2.gz OSDXRRICNLMQEZ-UHFFFAOYSA-N -2 3 339.388 3.257 20 10 EGCDHL O=S(=O)([N-]c1ccc([O-])cc1F)c1c(Cl)ccnc1Cl ZINC000758169394 1300797368 /nfs/dbraw/zinc/79/73/68/1300797368.db2.gz RRHIMXFBOIWPJE-UHFFFAOYSA-N -2 3 337.159 3.034 20 10 EGCDHL O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1ccc(O)cc1[O-] ZINC000813685738 1318619878 /nfs/dbraw/zinc/61/98/78/1318619878.db2.gz QAWZJYVMCZRBAU-UHFFFAOYSA-N -2 3 328.151 3.040 20 10 EGCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@@H]3C=CCC3)c1C2=O ZINC001227994651 1375499928 /nfs/dbraw/zinc/49/99/28/1375499928.db2.gz ORHVDYGKSDZBBM-GFCCVEGCSA-N -2 3 336.343 3.279 20 10 EGCDHL O=C([O-])[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])Cc2ccccc21 ZINC001594951996 982662627 /nfs/dbraw/zinc/66/26/27/982662627.db2.gz ZKSPHYFTXRZSOC-AWEZNQCLSA-N -2 3 335.762 3.369 20 10 EGCDHL O=C([O-])Cc1cccc(C(=O)c2ccccc2)c1Nc1cncc([O-])c1 ZINC001201641013 1369595538 /nfs/dbraw/zinc/59/55/38/1369595538.db2.gz HRLAJDBFKZKIRD-UHFFFAOYSA-N -2 3 348.358 3.389 20 10 EGCDHL CC(C)OCc1cc([N-]S(=O)(=O)c2cccs2)ccc1[O-] ZINC000290505417 456347508 /nfs/dbraw/zinc/34/75/08/456347508.db2.gz LCWAXASJKQNWHR-UHFFFAOYSA-N -2 3 327.427 3.180 20 10 EGCDHL O=C([O-])[C@@H](NCc1c([O-])ccc(Cl)c1F)c1ccccc1F ZINC000756334181 1300469183 /nfs/dbraw/zinc/46/91/83/1300469183.db2.gz ZUZNEBADLGHXMK-AWEZNQCLSA-N -2 3 327.714 3.239 20 10 EGCDHL CCOc1cccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1 ZINC000808114500 1317626419 /nfs/dbraw/zinc/62/64/19/1317626419.db2.gz BCVQKKSOPVHGTI-UHFFFAOYSA-N -2 3 345.779 3.384 20 10 EGCDHL Cc1cc([O-])ccc1[N-]S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000740701203 576617436 /nfs/dbraw/zinc/61/74/36/576617436.db2.gz ZTINQVJYODDSLC-UHFFFAOYSA-N -2 3 342.760 3.063 20 10 EGCDHL CC(C)Oc1cc([O-])cc2oc(-c3cc(O)c([O-])c(O)c3)cc(=O)c12 ZINC001229440196 1375836245 /nfs/dbraw/zinc/83/62/45/1375836245.db2.gz CZQVJJSEYKYWJJ-UHFFFAOYSA-N -2 3 344.319 3.070 20 10 EGCDHL O=C([O-])[C@@H](NCc1c([O-])ccc(Cl)c1F)c1cc(F)ccc1F ZINC000756369022 978699615 /nfs/dbraw/zinc/69/96/15/978699615.db2.gz XTRRENGAIKIEDC-AWEZNQCLSA-N -2 3 345.704 3.378 20 10 EGCDHL O=C([O-])c1occc1CN(Cc1ccco1)Cc1ccccc1[O-] ZINC000740281647 576573879 /nfs/dbraw/zinc/57/38/79/576573879.db2.gz ODVAERCJLOXCJW-UHFFFAOYSA-N -2 3 327.336 3.479 20 10 EGCDHL CC(=O)c1cc(Cl)cc(CN2CCC(CCC(=O)[O-])CC2)c1[O-] ZINC000825946749 601841884 /nfs/dbraw/zinc/84/18/84/601841884.db2.gz OLSJFPHWPBZKKA-UHFFFAOYSA-N -2 3 339.819 3.325 20 10 EGCDHL O=C([O-])[C@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708071619 969033057 /nfs/dbraw/zinc/03/30/57/969033057.db2.gz OZRNKVZPVDCNFD-QMMMGPOBSA-N -2 3 348.624 3.105 20 10 EGCDHL COc1ccc2ccc([O-])c(CN(CC(=O)[O-])CC(F)(F)F)c2c1 ZINC001599635592 994283479 /nfs/dbraw/zinc/28/34/79/994283479.db2.gz AFLIHWMRPHRJHB-UHFFFAOYSA-N -2 3 343.301 3.003 20 10 EGCDHL O=C([O-])CN(Cc1ccnc(Cl)c1)Cc1cc(Cl)ccc1[O-] ZINC000739799471 576506626 /nfs/dbraw/zinc/50/66/26/576506626.db2.gz PDERVWAVWIMADO-UHFFFAOYSA-N -2 3 341.194 3.181 20 10 EGCDHL COc1ccc(C(=O)NCc2cc(Cl)cc(Cl)c2[O-])c([O-])c1 ZINC000807836893 1317590598 /nfs/dbraw/zinc/59/05/98/1317590598.db2.gz SZDOPBNJIHEYEP-UHFFFAOYSA-N -2 3 342.178 3.343 20 10 EGCDHL O=S(=O)([N-]c1cc(Cl)c([O-])cc1F)c1ccc2c(c1)CCC2 ZINC000808114398 1317626349 /nfs/dbraw/zinc/62/63/49/1317626349.db2.gz WROYIBRCVILWNX-UHFFFAOYSA-N -2 3 341.791 3.474 20 10 EGCDHL Cc1nc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])sc1C ZINC000833001239 602042330 /nfs/dbraw/zinc/04/23/30/602042330.db2.gz RSBZMGIZJHHXMW-UHFFFAOYSA-N -2 3 340.832 3.206 20 10 EGCDHL CCN(CC)c1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1 ZINC000794711102 1309580208 /nfs/dbraw/zinc/58/02/08/1309580208.db2.gz BGXGEMCSDWAWLA-DHZHZOJOSA-N -2 3 341.411 3.134 20 10 EGCDHL Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F ZINC000808114491 1317627113 /nfs/dbraw/zinc/62/71/13/1317627113.db2.gz AQSZELQGFHSSFR-UHFFFAOYSA-N -2 3 333.743 3.433 20 10 EGCDHL CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])cc1 ZINC000013464022 957094295 /nfs/dbraw/zinc/09/42/95/957094295.db2.gz HZIHUWKGXPCDKA-NSHDSACASA-N -2 3 349.408 3.405 20 10 EGCDHL CC(C)Oc1c(=O)c2c([O-])cc([O-])cc2oc1-c1ccc(O)c(O)c1 ZINC001227461380 1375433486 /nfs/dbraw/zinc/43/34/86/1375433486.db2.gz QBXOAGMXOUKJFO-UHFFFAOYSA-N -2 3 344.319 3.070 20 10 EGCDHL Cc1nc(C)c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])s1 ZINC000738846937 576364935 /nfs/dbraw/zinc/36/49/35/576364935.db2.gz GQCBJZXAVRIEHR-UHFFFAOYSA-N -2 3 340.832 3.206 20 10 EGCDHL O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1cc(F)c([O-])cc1F ZINC001189109271 1388460653 /nfs/dbraw/zinc/46/06/53/1388460653.db2.gz XLJFIFWKQRCCOS-UHFFFAOYSA-N -2 3 347.770 3.308 20 10 EGCDHL CC(C)c1cnc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])o1 ZINC000736522872 575977013 /nfs/dbraw/zinc/97/70/13/575977013.db2.gz HYDOWJONTGMFLW-UHFFFAOYSA-N -2 3 338.791 3.244 20 10 EGCDHL O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1ccc([O-])cc1F ZINC000807840589 1317591228 /nfs/dbraw/zinc/59/12/28/1317591228.db2.gz FJQHPLQMYIXCLA-UHFFFAOYSA-N -2 3 330.142 3.474 20 10 EGCDHL CCN(CC)c1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1 ZINC000794711105 1309580556 /nfs/dbraw/zinc/58/05/56/1309580556.db2.gz BGXGEMCSDWAWLA-FLIBITNWSA-N -2 3 341.411 3.134 20 10 EGCDHL O=S(=O)([N-]c1ccc([O-])cc1F)c1ccc(C(F)(F)F)s1 ZINC000812270339 1318355458 /nfs/dbraw/zinc/35/54/58/1318355458.db2.gz DICYOQFWSOOXPV-UHFFFAOYSA-N -2 3 341.307 3.412 20 10 EGCDHL O=C(NCc1cc(Cl)c2cccnc2c1[O-])c1ccc([O-])c(F)c1 ZINC001186236596 1387902567 /nfs/dbraw/zinc/90/25/67/1387902567.db2.gz HEHBYAWRDZFLAB-UHFFFAOYSA-N -2 3 346.745 3.369 20 10 EGCDHL CC(C)OCc1cc([N-]S(=O)(=O)c2ccsc2)ccc1[O-] ZINC000290561369 456364368 /nfs/dbraw/zinc/36/43/68/456364368.db2.gz SAGQTUJMONDHFF-UHFFFAOYSA-N -2 3 327.427 3.180 20 10 EGCDHL O=C([O-])CN(Cc1cc(Cl)ccc1[O-])Cc1cc(F)ccc1F ZINC000739794223 576505749 /nfs/dbraw/zinc/50/57/49/576505749.db2.gz WZMMSORPAPCQDV-UHFFFAOYSA-N -2 3 341.741 3.411 20 10 EGCDHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1CC ZINC000790416344 1306322409 /nfs/dbraw/zinc/32/24/09/1306322409.db2.gz UTKJXOVZOWIHEQ-UHFFFAOYSA-N -2 3 349.408 3.016 20 10 EGCDHL COc1ccc(C)cc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000737976102 576277446 /nfs/dbraw/zinc/27/74/46/576277446.db2.gz OXIUGQUGOWMRNZ-UHFFFAOYSA-N -2 3 349.814 3.449 20 10 EGCDHL CN(C)c1ccccc1CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000830643076 601006558 /nfs/dbraw/zinc/00/65/58/601006558.db2.gz BRAKRHYSXADDEM-UHFFFAOYSA-N -2 3 348.830 3.198 20 10 EGCDHL O=C([O-])c1cnc(C=Cc2ccc(N3CCCCC3)cc2)[n-]c1=O ZINC000752878298 1299810361 /nfs/dbraw/zinc/81/03/61/1299810361.db2.gz CDQSXAAOKFDOQN-RMKNXTFCSA-N -2 3 325.368 3.041 20 10 EGCDHL O=C([O-])[C@H](NCc1c([O-])ccc(Cl)c1F)c1ccccc1F ZINC000756334182 1300469940 /nfs/dbraw/zinc/46/99/40/1300469940.db2.gz ZUZNEBADLGHXMK-CQSZACIVSA-N -2 3 327.714 3.239 20 10 EGCDHL Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cc1C(=O)[O-] ZINC000775292203 1303934811 /nfs/dbraw/zinc/93/48/11/1303934811.db2.gz VOPRWQXZXCWQOL-UHFFFAOYSA-N -2 3 349.408 3.125 20 10 EGCDHL O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc2ncsc2c1 ZINC000775288597 1303934352 /nfs/dbraw/zinc/93/43/52/1303934352.db2.gz YJGHKTWQIXFOEG-UHFFFAOYSA-N -2 3 340.813 3.456 20 10 EGCDHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)[O-])c1C ZINC000013463983 957094398 /nfs/dbraw/zinc/09/43/98/957094398.db2.gz DSYSHCAVCCLGOE-UHFFFAOYSA-N -2 3 349.408 3.125 20 10 EGCDHL Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(COC(C)C)c2)s1 ZINC000290462375 456334684 /nfs/dbraw/zinc/33/46/84/456334684.db2.gz FOBRNJNFNSDZJH-UHFFFAOYSA-N -2 3 341.454 3.488 20 10 EGCDHL O=C([O-])CN(Cc1cccc(Cl)n1)Cc1cc(Cl)ccc1[O-] ZINC000833249795 601007022 /nfs/dbraw/zinc/00/70/22/601007022.db2.gz ZEHDOOGHBIGYAG-UHFFFAOYSA-N -2 3 341.194 3.181 20 10 EGCDHL O=C([O-])CN(Cc1cc(Cl)ccc1[O-])Cc1cccc(F)c1F ZINC000739793751 576505771 /nfs/dbraw/zinc/50/57/71/576505771.db2.gz PCEAUULBUVWDQI-UHFFFAOYSA-N -2 3 341.741 3.411 20 10 EGCDHL O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cc(F)ccc1[O-] ZINC000857507365 1328542717 /nfs/dbraw/zinc/54/27/17/1328542717.db2.gz DOVWNNZEKHSKIO-UHFFFAOYSA-N -2 3 330.142 3.474 20 10 EGCDHL O=S(=O)([N-]c1ccc([O-])c(Br)c1)c1ccsc1 ZINC001185382918 1387699340 /nfs/dbraw/zinc/69/93/40/1387699340.db2.gz QIVCRMVKCVHGKI-UHFFFAOYSA-N -2 3 334.216 3.017 20 10 EGCDHL O=C([O-])CN(CCOc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000739794403 574544914 /nfs/dbraw/zinc/54/49/14/574544914.db2.gz YAVLBQPBHQWYCC-UHFFFAOYSA-N -2 3 335.787 3.011 20 10 EGCDHL Cc1cc([O-])ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000743259620 576804363 /nfs/dbraw/zinc/80/43/63/576804363.db2.gz HDSBTJSXXTWACV-UHFFFAOYSA-N -2 3 342.760 3.063 20 10 EGCDHL Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1 ZINC000808115619 1317626790 /nfs/dbraw/zinc/62/67/90/1317626790.db2.gz LKHKIRKSUAVTAW-UHFFFAOYSA-N -2 3 333.743 3.433 20 10 EGCDHL CCc1cc([O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2=O ZINC000295151417 455841230 /nfs/dbraw/zinc/84/12/30/455841230.db2.gz BSAXUDNJTSHLRD-UHFFFAOYSA-N -2 3 345.420 3.274 20 10 EGCDHL O=S(=O)([N-]c1cc(F)c([O-])cc1F)c1ccc(C2CC2)cc1 ZINC001190507808 1367281291 /nfs/dbraw/zinc/28/12/91/1367281291.db2.gz YRBCKDGJWPMFQN-UHFFFAOYSA-N -2 3 325.336 3.349 20 10 EGCDHL O=S(=O)([N-]c1ccc([O-])c(F)c1F)c1ccc2occc2c1 ZINC001198854510 1369129974 /nfs/dbraw/zinc/12/99/74/1369129974.db2.gz DQTIVZIGAVFMKP-UHFFFAOYSA-N -2 3 325.292 3.217 20 10 EGCDHL CC(C)Oc1c(=O)c2ccc([O-])cc2oc1-c1cc(O)c([O-])c(O)c1 ZINC001227647987 1375459431 /nfs/dbraw/zinc/45/94/31/1375459431.db2.gz NCWUAYAQGNKREM-UHFFFAOYSA-N -2 3 344.319 3.070 20 10 EGCDHL O=S(=O)([N-]c1ccc(O)cc1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251384038 1377085427 /nfs/dbraw/zinc/08/54/27/1377085427.db2.gz MXWHMOOGYLBZMM-UHFFFAOYSA-N -2 3 334.180 3.205 20 10 EGCDHL Cc1c(Cl)cc(NC(=O)c2cc(O)c([O-])c(O)c2)c([O-])c1Cl ZINC001148586561 1379218759 /nfs/dbraw/zinc/21/87/59/1379218759.db2.gz SBYADRSAGKPDLZ-UHFFFAOYSA-N -2 3 344.150 3.377 20 10 EGCDHL CCOc1ccc(C)cc1S(=O)(=O)[N-]c1cc(F)c([O-])cc1F ZINC001191829262 1367605959 /nfs/dbraw/zinc/60/59/59/1367605959.db2.gz ZMYRRFWFKPCYFX-UHFFFAOYSA-N -2 3 343.351 3.178 20 10 EGCDHL O=C([O-])c1ccoc1CN(Cc1ccco1)Cc1ccccc1[O-] ZINC000740248709 576569860 /nfs/dbraw/zinc/56/98/60/576569860.db2.gz IQMAEPVOLXLNSL-UHFFFAOYSA-N -2 3 327.336 3.479 20 10 EGCDHL CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1F ZINC001191821945 1367602268 /nfs/dbraw/zinc/60/22/68/1367602268.db2.gz XGFADNZUHDOPDW-UHFFFAOYSA-N -2 3 343.351 3.178 20 10 EGCDHL CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)c1 ZINC001192805515 1367878292 /nfs/dbraw/zinc/87/82/92/1367878292.db2.gz JJAHELCQUIWHJR-UHFFFAOYSA-N -2 3 343.351 3.042 20 10 EGCDHL O=C([O-])CN(Cc1cccnc1Cl)Cc1cc(Cl)ccc1[O-] ZINC000739794214 576505808 /nfs/dbraw/zinc/50/58/08/576505808.db2.gz WUALOVJGKDDASE-UHFFFAOYSA-N -2 3 341.194 3.181 20 10 EGCDHL Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(F)c([O-])c(F)c1 ZINC001195309236 1368418137 /nfs/dbraw/zinc/41/81/37/1368418137.db2.gz JXEPZPQUSGENMW-UHFFFAOYSA-N -2 3 333.743 3.433 20 10 EGCDHL CCOc1cccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1 ZINC000799925016 1310639534 /nfs/dbraw/zinc/63/95/34/1310639534.db2.gz LADDMVQSHPSIQZ-UHFFFAOYSA-N -2 3 327.789 3.245 20 10 EGCDHL COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc([O-])c(F)c1 ZINC001191697287 1367563586 /nfs/dbraw/zinc/56/35/86/1367563586.db2.gz MLDVAGFNIABHIB-UHFFFAOYSA-N -2 3 339.388 3.464 20 10 EGCDHL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c(C)c(C)c1O ZINC000775291930 978747491 /nfs/dbraw/zinc/74/74/91/978747491.db2.gz ROGPTQCWKJAGNY-UHFFFAOYSA-N -2 3 349.408 3.125 20 10 EGCDHL Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c(COC(C)C)c2)c(C)o1 ZINC000290585356 456374089 /nfs/dbraw/zinc/37/40/89/456374089.db2.gz WKWKUCAZPRNUNR-UHFFFAOYSA-N -2 3 339.413 3.328 20 10 EGCDHL CCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2CC)cc1C(=O)[O-] ZINC000790415482 1306321841 /nfs/dbraw/zinc/32/18/41/1306321841.db2.gz GLOYWFKMHZQWFC-UHFFFAOYSA-N -2 3 349.408 3.016 20 10 EGCDHL Cc1cc(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)ccc1Cl ZINC001185529553 1387740653 /nfs/dbraw/zinc/74/06/53/1387740653.db2.gz GXRDKXUPTBJXNA-UHFFFAOYSA-N -2 3 333.743 3.433 20 10 EGCDHL CCc1ccc(OC)c(S(=O)(=O)[N-]c2cc(F)c([O-])cc2F)c1 ZINC001192816676 1367881159 /nfs/dbraw/zinc/88/11/59/1367881159.db2.gz UNJAAYBZZMMYCV-UHFFFAOYSA-N -2 3 343.351 3.042 20 10 EGCDHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c(C)c(C)c1O ZINC000775291524 978747414 /nfs/dbraw/zinc/74/74/14/978747414.db2.gz LLHVRXJKSXWUKI-UHFFFAOYSA-N -2 3 349.408 3.125 20 10 EGCDHL CCOc1ccc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])o1 ZINC001597101320 986716603 /nfs/dbraw/zinc/71/66/03/986716603.db2.gz YXRYBNMNBPIOBF-UHFFFAOYSA-N -2 3 339.775 3.124 20 10 EGCDHL Cc1cccc(Cl)c1S(=O)(=O)[N-]c1cc(F)c([O-])cc1F ZINC001195317293 1368419778 /nfs/dbraw/zinc/41/97/78/1368419778.db2.gz TVBKSVONFAGAPC-UHFFFAOYSA-N -2 3 333.743 3.433 20 10 EGCDHL CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000790416770 978798994 /nfs/dbraw/zinc/79/89/94/978798994.db2.gz DDFDYCBXDBFDFX-UHFFFAOYSA-N -2 3 349.408 3.070 20 10 EGCDHL C[C@@H](NCc1ccc(Cl)c(C(=O)[O-])n1)c1cc(F)cc(F)c1[O-] ZINC001593299752 994724955 /nfs/dbraw/zinc/72/49/55/994724955.db2.gz VHXFWEODWSSJDX-SSDOTTSWSA-N -2 3 342.729 3.268 20 10 EGCDHL COCCc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1 ZINC000776750582 1304193692 /nfs/dbraw/zinc/19/36/92/1304193692.db2.gz IAWBEZVHZVJLJM-UHFFFAOYSA-N -2 3 341.816 3.035 20 10 EGCDHL CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1 ZINC000808115660 1317626572 /nfs/dbraw/zinc/62/65/72/1317626572.db2.gz NFCKXNPNAGKKOD-UHFFFAOYSA-N -2 3 343.763 3.188 20 10 EGCDHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(Cl)c([O-])cc1F ZINC000808115411 1317626801 /nfs/dbraw/zinc/62/68/01/1317626801.db2.gz BFRBUPSALWTMLS-UHFFFAOYSA-N -2 3 333.743 3.433 20 10 EGCDHL O=C(Nc1c(Cl)ccc([O-])c1Cl)c1cc(O)c([O-])c(O)c1 ZINC001148586050 1379216922 /nfs/dbraw/zinc/21/69/22/1379216922.db2.gz GLTZDKWGHQHXAM-UHFFFAOYSA-N -2 3 330.123 3.068 20 10 EGCDHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)c(O)c(C)c1C ZINC000775292445 978747673 /nfs/dbraw/zinc/74/76/73/978747673.db2.gz ZWGKNKREOYFSOS-UHFFFAOYSA-N -2 3 349.408 3.125 20 10 EGCDHL CC(C)OCc1cc([N-]S(=O)(=O)c2cccc(F)c2)ccc1[O-] ZINC000290440578 456328112 /nfs/dbraw/zinc/32/81/12/456328112.db2.gz BZFDBPOYQGFYHR-UHFFFAOYSA-N -2 3 339.388 3.257 20 10 EGCDHL O=C([O-])[C@@H]1CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708071617 969033716 /nfs/dbraw/zinc/03/37/16/969033716.db2.gz OZRNKVZPVDCNFD-MRVPVSSYSA-N -2 3 348.624 3.105 20 10 EGCDHL CCc1ncc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])s1 ZINC000833677616 604636869 /nfs/dbraw/zinc/63/68/69/604636869.db2.gz WSFDUENKAYTTTD-UHFFFAOYSA-N -2 3 340.832 3.151 20 10 EGCDHL Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O[C@H]3C=CCC3)c1C2=O ZINC001227994652 1375500291 /nfs/dbraw/zinc/50/02/91/1375500291.db2.gz ORHVDYGKSDZBBM-LBPRGKRZSA-N -2 3 336.343 3.279 20 10 EGCDHL Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000755985920 601493177 /nfs/dbraw/zinc/49/31/77/601493177.db2.gz PUKVAWWHLOFALN-UHFFFAOYSA-N -2 3 349.408 3.323 20 10 EGCDHL COCc1cccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)c1 ZINC000808114619 1317626813 /nfs/dbraw/zinc/62/68/13/1317626813.db2.gz CSIODEIUTHYPRZ-UHFFFAOYSA-N -2 3 345.779 3.132 20 10 EGCDHL Cc1cnc2c(cccc2S(=O)(=O)[N-]c2ccc([O-])c(F)c2)c1 ZINC001191184905 1367441346 /nfs/dbraw/zinc/44/13/46/1367441346.db2.gz ITEPISFQLKVFPH-UHFFFAOYSA-N -2 3 332.356 3.189 20 10 EGCDHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(C)c(C)c1O ZINC000795351290 978831613 /nfs/dbraw/zinc/83/16/13/978831613.db2.gz KDZFPRFDUCFJNJ-UHFFFAOYSA-N -2 3 349.408 3.125 20 10 EGCDHL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c(Cl)c2)cc1N ZINC001210927974 1372455219 /nfs/dbraw/zinc/45/52/19/1372455219.db2.gz UOQQBKXXSZNHBP-UHFFFAOYSA-N -2 3 347.223 3.390 20 10 EGCDHL O=S(=O)(Nc1cc(Cl)c([O-])cc1Cl)c1ccc([O-])cc1 ZINC001195795622 1368492084 /nfs/dbraw/zinc/49/20/84/1368492084.db2.gz DZYQKNXJDLOXFZ-UHFFFAOYSA-N -2 3 334.180 3.205 20 10 EGCDHL O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc2ncccc2c1 ZINC000776749093 1304192659 /nfs/dbraw/zinc/19/26/59/1304192659.db2.gz XGHUZAOTKKLLBU-UHFFFAOYSA-N -2 3 334.784 3.395 20 10 EGCDHL CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000790411718 1306320822 /nfs/dbraw/zinc/32/08/22/1306320822.db2.gz OEHZZXGFFWHECL-UHFFFAOYSA-N -2 3 349.408 3.070 20 10 EGCDHL COc1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)cc1C ZINC000808114153 1317626471 /nfs/dbraw/zinc/62/64/71/1317626471.db2.gz SBMXPLYIRKDQKU-UHFFFAOYSA-N -2 3 345.779 3.303 20 10 EGCDHL O=C([O-])CN(Cc1nc2ccccc2o1)Cc1cc(Cl)ccc1[O-] ZINC000739799382 576506637 /nfs/dbraw/zinc/50/66/37/576506637.db2.gz CMTNQXSBHLYOEN-UHFFFAOYSA-N -2 3 346.770 3.274 20 10 EGCDHL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c([O-])cc2F)ccc1F ZINC000808113535 1317625391 /nfs/dbraw/zinc/62/53/91/1317625391.db2.gz CHOCHFBKKIGEAE-UHFFFAOYSA-N -2 3 333.743 3.433 20 10 EGCDHL CO[C@H](CS(=O)(=O)[N-]c1ccc([O-])c(F)c1F)C1CCCCC1 ZINC000849309107 1322110545 /nfs/dbraw/zinc/11/05/45/1322110545.db2.gz BDLJLYFPZUGOAQ-CYBMUJFWSA-N -2 3 349.399 3.007 20 10 EGCDHL Cc1cc(S(=O)(=O)[N-]c2ccc([O-])c(F)c2F)ccc1Cl ZINC001185521520 1387737430 /nfs/dbraw/zinc/73/74/30/1387737430.db2.gz UXXNPCXKFNJYRI-UHFFFAOYSA-N -2 3 333.743 3.433 20 10 EGCDHL O=C([O-])[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])Cc2ccccc21 ZINC001594951998 954965437 /nfs/dbraw/zinc/96/54/37/954965437.db2.gz ZKSPHYFTXRZSOC-CQSZACIVSA-N -2 3 335.762 3.369 20 10 EGCDHL