smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1c(F)cc(NS(=O)(=O)c2cc(F)ccc2F)cc1F ZINC000321965449 970831302 /nfs/dbraw/zinc/83/13/02/970831302.db2.gz HGTGAFBIPDMGPQ-UHFFFAOYSA-N -1 2 349.261 2.742 20 0 EFADLM CC(C)(C)c1cc(NS(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)[nH]n1 ZINC000325633761 971232918 /nfs/dbraw/zinc/23/29/18/971232918.db2.gz XJUFSZUYMBEXOA-TWGQIWQCSA-N -1 2 349.412 2.606 20 0 EFADLM O=C([O-])CC[C@H]1C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2O)CO1 ZINC001595007099 951215808 /nfs/dbraw/zinc/21/58/08/951215808.db2.gz YKMXAXNTNDDSOL-APPZFPTMSA-N -1 2 348.182 2.907 20 0 EFADLM O=C([O-])c1sccc1S(=O)(=O)Nc1cccc2cccnc21 ZINC000386257832 972039823 /nfs/dbraw/zinc/03/98/23/972039823.db2.gz XKJQLDXJNXHYPS-UHFFFAOYSA-N -1 2 334.378 2.795 20 0 EFADLM COc1ccc(C)cc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000037370815 957272244 /nfs/dbraw/zinc/27/22/44/957272244.db2.gz GHSWZXCYEVPJMR-UHFFFAOYSA-N -1 2 327.383 2.564 20 0 EFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)ccn2)cc1Cl ZINC000236465020 960640051 /nfs/dbraw/zinc/64/00/51/960640051.db2.gz BZQIGKMLWKTLSR-UHFFFAOYSA-N -1 2 347.179 2.887 20 0 EFADLM Cc1nc2cc(NS(=O)(=O)c3cc(C(=O)[O-])oc3C)ccc2o1 ZINC000320225405 970633187 /nfs/dbraw/zinc/63/31/87/970633187.db2.gz CYYUEICHLOWPPM-UHFFFAOYSA-N -1 2 336.325 2.537 20 0 EFADLM O=C([O-])[C@H]1CN(C(=O)c2cccc(Cl)c2O)Cc2ccccc21 ZINC001606041161 973142234 /nfs/dbraw/zinc/14/22/34/973142234.db2.gz DULHEARDPUFCQW-ZDUSSCGKSA-N -1 2 331.755 2.870 20 0 EFADLM CCCc1csc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])n1 ZINC001596074982 983392193 /nfs/dbraw/zinc/39/21/93/983392193.db2.gz YKKLTJRODAMYPQ-UHFFFAOYSA-N -1 2 340.426 2.903 20 0 EFADLM CCCc1nc(C)c(NS(=O)(=O)c2ccsc2C(=O)[O-])s1 ZINC001596089234 983411604 /nfs/dbraw/zinc/41/16/04/983411604.db2.gz FCVYTPTTWCJIFK-UHFFFAOYSA-N -1 2 346.455 2.965 20 0 EFADLM CC[N@H+](Cc1csc(-c2cccc(C(=O)[O-])c2)n1)[C@H](C)C(=O)[O-] ZINC001596378673 983897951 /nfs/dbraw/zinc/89/79/51/983897951.db2.gz ZBBZPOQXJIULGM-SNVBAGLBSA-N -1 2 334.397 2.803 20 0 EFADLM CC[N@@H+](Cc1csc(-c2cccc(C(=O)[O-])c2)n1)[C@H](C)C(=O)[O-] ZINC001596378673 983897962 /nfs/dbraw/zinc/89/79/62/983897962.db2.gz ZBBZPOQXJIULGM-SNVBAGLBSA-N -1 2 334.397 2.803 20 0 EFADLM Cc1[nH]c(C(O)=CS(=O)(=O)CC2CCCCC2)c(C)c1C(=O)[O-] ZINC001599947812 985558216 /nfs/dbraw/zinc/55/82/16/985558216.db2.gz PSAMGPYSMIXSMD-UHFFFAOYSA-N -1 2 341.429 2.508 20 0 EFADLM CCc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cnn(C2CCC2)c1 ZINC001597465467 987904277 /nfs/dbraw/zinc/90/42/77/987904277.db2.gz HFDZUWDQBRWOAC-UHFFFAOYSA-N -1 2 349.412 2.670 20 0 EFADLM CCc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1F ZINC001597556338 988288792 /nfs/dbraw/zinc/28/87/92/988288792.db2.gz LXOTWQZQAAOOLN-UHFFFAOYSA-N -1 2 329.374 2.949 20 0 EFADLM CCc1ccc(S(=O)(=O)Nc2nc(CC)c(C(=O)[O-])s2)s1 ZINC001597562829 988310187 /nfs/dbraw/zinc/31/01/87/988310187.db2.gz UHBIBEOEPQIAKW-UHFFFAOYSA-N -1 2 346.455 2.828 20 0 EFADLM CC(C)(NC(=O)c1cc(F)cc(Cl)c1O)c1cc(C(=O)[O-])on1 ZINC001590858279 990745752 /nfs/dbraw/zinc/74/57/52/990745752.db2.gz CYUAFOCGHVCLAF-UHFFFAOYSA-N -1 2 342.710 2.536 20 0 EFADLM CC(C)[N@H+](CC(=O)[O-])Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001591569562 992772757 /nfs/dbraw/zinc/77/27/57/992772757.db2.gz NQCZIURMKLWXIC-UHFFFAOYSA-N -1 2 334.397 2.803 20 0 EFADLM CC(C)[N@@H+](CC(=O)[O-])Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001591569562 992772761 /nfs/dbraw/zinc/77/27/61/992772761.db2.gz NQCZIURMKLWXIC-UHFFFAOYSA-N -1 2 334.397 2.803 20 0 EFADLM C[N@H+](Cc1cc(C(=O)[O-])cs1)Cc1nc(=O)c2sccc2[n-]1 ZINC001598538513 992870405 /nfs/dbraw/zinc/87/04/05/992870405.db2.gz UTRGENFINOEPQM-UHFFFAOYSA-N -1 2 335.410 2.789 20 0 EFADLM C[N@@H+](Cc1cc(C(=O)[O-])cs1)Cc1nc(=O)c2sccc2[n-]1 ZINC001598538513 992870414 /nfs/dbraw/zinc/87/04/14/992870414.db2.gz UTRGENFINOEPQM-UHFFFAOYSA-N -1 2 335.410 2.789 20 0 EFADLM CN(Cc1cc(C(=O)[O-])cs1)Cc1nc(=O)c2sccc2[nH]1 ZINC001598538513 992870419 /nfs/dbraw/zinc/87/04/19/992870419.db2.gz UTRGENFINOEPQM-UHFFFAOYSA-N -1 2 335.410 2.789 20 0 EFADLM COCc1cc(NS(=O)(=O)c2sccc2C)cc(C(=O)[O-])c1 ZINC001599289475 997039447 /nfs/dbraw/zinc/03/94/47/997039447.db2.gz NKABFXYHDNEONG-UHFFFAOYSA-N -1 2 341.410 2.702 20 0 EFADLM C[C@@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccn1)c1nc(C(C)(C)C)cs1 ZINC001575381048 1088427061 /nfs/dbraw/zinc/42/70/61/1088427061.db2.gz ZEOXVCBCHOZLKV-SNVBAGLBSA-N -1 2 343.460 2.867 20 0 EFADLM CO[C@H](C)c1nc(C[NH2+][C@H](C)c2cccc(-c3nn[nH]n3)c2)cs1 ZINC001591324592 1093692437 /nfs/dbraw/zinc/69/24/37/1093692437.db2.gz AUWXSQKCSNRHKT-GHMZBOCLSA-N -1 2 344.444 2.881 20 0 EFADLM Cc1c(NC(=O)c2c(O)cc(Cl)cc2Cl)cnn1CC(=O)[O-] ZINC001600045304 1094739564 /nfs/dbraw/zinc/73/95/64/1094739564.db2.gz CZKJOPZAUMRROV-UHFFFAOYSA-N -1 2 344.154 2.541 20 0 EFADLM Cc1cc(S(=O)(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c(C)o1 ZINC001600301577 1094955373 /nfs/dbraw/zinc/95/53/73/1094955373.db2.gz RLEFHLRNQXKZCS-UHFFFAOYSA-N -1 2 344.414 2.975 20 0 EFADLM Cc1ccc(NC(=O)c2cc(C(=O)OC(C)(C)C)n[nH]2)c(C(=O)[O-])c1 ZINC001600455955 1095079575 /nfs/dbraw/zinc/07/95/75/1095079575.db2.gz JQBLTNBUZFCUBH-UHFFFAOYSA-N -1 2 345.355 2.624 20 0 EFADLM Cc1ccc(NC(=O)c2cc(C(=O)OC(C)(C)C)[nH]n2)c(C(=O)[O-])c1 ZINC001600455955 1095079587 /nfs/dbraw/zinc/07/95/87/1095079587.db2.gz JQBLTNBUZFCUBH-UHFFFAOYSA-N -1 2 345.355 2.624 20 0 EFADLM Cc1ccc(O)c(NS(=O)(=O)c2c(Cl)cccc2C(=O)[O-])c1 ZINC001600466551 1095087589 /nfs/dbraw/zinc/08/75/89/1095087589.db2.gz BOGKMGRSXKIPGH-UHFFFAOYSA-N -1 2 341.772 2.853 20 0 EFADLM Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2cc(F)c(O)c(F)c2)c1 ZINC001600516981 1095128279 /nfs/dbraw/zinc/12/82/79/1095128279.db2.gz SOSOTTCWGFVIQA-AWEZNQCLSA-N -1 2 335.306 2.925 20 0 EFADLM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1cc(Cl)ccc1O ZINC001600655443 1095240521 /nfs/dbraw/zinc/24/05/21/1095240521.db2.gz WNRQRTVMHOFXJT-UHFFFAOYSA-N -1 2 347.801 2.915 20 0 EFADLM Cc1oc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCC3=O)c1C(=O)[O-] ZINC001600838804 1095369260 /nfs/dbraw/zinc/36/92/60/1095369260.db2.gz REDNKSOQSUNOSX-UHFFFAOYSA-N -1 2 349.364 2.524 20 0 EFADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ncc(C(C)(C)C)s1 ZINC001600837302 1095369337 /nfs/dbraw/zinc/36/93/37/1095369337.db2.gz SZRNPFXTFDSGLV-UHFFFAOYSA-N -1 2 344.414 2.841 20 0 EFADLM O=C([O-])CC1(CNC(=O)c2c(O)cc(F)cc2F)CCCCC1 ZINC001601918316 1095975359 /nfs/dbraw/zinc/97/53/59/1095975359.db2.gz KOPNRAOLOSPKBV-UHFFFAOYSA-N -1 2 327.327 2.825 20 0 EFADLM Cc1nc(C[N@H+]2CCC[C@@H](NC(=O)c3ccccc3O)C2)c(C)s1 ZINC001006776621 1095988972 /nfs/dbraw/zinc/98/89/72/1095988972.db2.gz BSEVVOCJBGRDHW-CQSZACIVSA-N -1 2 345.468 2.860 20 0 EFADLM O=C([O-])Cc1ccccc1C[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1 ZINC001602147211 1096090115 /nfs/dbraw/zinc/09/01/15/1096090115.db2.gz ZFCQIBPWIUNPCF-QGZVFWFLSA-N -1 2 328.416 2.843 20 0 EFADLM O=C([O-])c1ccc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)cn1 ZINC001602385975 1096218138 /nfs/dbraw/zinc/21/81/38/1096218138.db2.gz RPLWLJMNUJWIPX-UHFFFAOYSA-N -1 2 348.714 2.512 20 0 EFADLM O=C([O-])c1cccc(NC(=O)c2ncc(Br)cc2O)c1 ZINC001602445817 1096249291 /nfs/dbraw/zinc/24/92/91/1096249291.db2.gz SMYFZFSWVFGYKE-UHFFFAOYSA-N -1 2 337.129 2.500 20 0 EFADLM O=C([O-])c1ccccc1C(=O)Nc1nccc(Br)c1O ZINC001602465977 1096261562 /nfs/dbraw/zinc/26/15/62/1096261562.db2.gz AVNZHMWPCOWWEQ-UHFFFAOYSA-N -1 2 337.129 2.500 20 0 EFADLM O=C([O-])c1ccncc1NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC001602486906 1096270247 /nfs/dbraw/zinc/27/02/47/1096270247.db2.gz XOFAHAWSASEGGC-UHFFFAOYSA-N -1 2 347.179 2.887 20 0 EFADLM C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC001603726213 1096603006 /nfs/dbraw/zinc/60/30/06/1096603006.db2.gz BRDCLADPTCGJHB-QMTHXVAHSA-N -1 2 341.337 2.581 20 0 EFADLM C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC001603726213 1096603009 /nfs/dbraw/zinc/60/30/09/1096603009.db2.gz BRDCLADPTCGJHB-QMTHXVAHSA-N -1 2 341.337 2.581 20 0 EFADLM CCc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cnn(C(C)C)c1 ZINC001605827537 1097241527 /nfs/dbraw/zinc/24/15/27/1097241527.db2.gz XTKNYPIYJDFGAM-UHFFFAOYSA-N -1 2 337.401 2.525 20 0 EFADLM CCc1oc(CN(C)Cc2nc(=O)c3sccc3[nH]2)cc1C(=O)[O-] ZINC001605890037 1097267168 /nfs/dbraw/zinc/26/71/68/1097267168.db2.gz FQEAJVWUXPLIHY-UHFFFAOYSA-N -1 2 347.396 2.883 20 0 EFADLM Cc1nc(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)nc2ccccc12 ZINC001606042046 1097304498 /nfs/dbraw/zinc/30/44/98/1097304498.db2.gz HUGCLKRTWZLMMU-UHFFFAOYSA-N -1 2 345.410 2.750 20 0 EFADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1c[nH]c2ccccc12 ZINC001607217813 1097563990 /nfs/dbraw/zinc/56/39/90/1097563990.db2.gz NLPAATWMKJFEJT-UHFFFAOYSA-N -1 2 346.364 2.676 20 0 EFADLM Cc1csc(S(=O)(=O)Nc2nc(C3CC3)c(C(=O)[O-])s2)c1 ZINC001607933454 1097781950 /nfs/dbraw/zinc/78/19/50/1097781950.db2.gz FTVYDFFNQDEVES-UHFFFAOYSA-N -1 2 344.439 2.889 20 0 EFADLM O=C([O-])c1ccc(CNC(=O)c2cc(F)c(O)c(F)c2)nc1C1CC1 ZINC001608464916 1097926733 /nfs/dbraw/zinc/92/67/33/1097926733.db2.gz DDEKJQMECVYKBY-UHFFFAOYSA-N -1 2 348.305 2.571 20 0 EFADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(C2CC2)cn1 ZINC001608897346 1098063993 /nfs/dbraw/zinc/06/39/93/1098063993.db2.gz SBWYFECEIRSNDI-UHFFFAOYSA-N -1 2 336.344 2.597 20 0 EFADLM O=C([O-])c1cccc(Cl)c1S(=O)(=O)Nc1ccccc1O ZINC001608933345 1098080091 /nfs/dbraw/zinc/08/00/91/1098080091.db2.gz GJFNHJHCKRMQAK-UHFFFAOYSA-N -1 2 327.745 2.545 20 0 EFADLM O=C([O-])c1cccc(NC2CCN(c3[nH+]cccc3C(=O)[O-])CC2)c1 ZINC001608935543 1098081366 /nfs/dbraw/zinc/08/13/66/1098081366.db2.gz SWYGPIRLOINUEA-UHFFFAOYSA-N -1 2 341.367 2.559 20 0 EFADLM CCOCc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC001610037185 1098526641 /nfs/dbraw/zinc/52/66/41/1098526641.db2.gz JJJKCLQRBYDSAQ-UHFFFAOYSA-N -1 2 341.410 2.784 20 0 EFADLM CCc1nc(NS(=O)(=O)c2sc(C)cc2C)sc1C(=O)[O-] ZINC001610072908 1098539626 /nfs/dbraw/zinc/53/96/26/1098539626.db2.gz PQIMHASHNOUIEH-UHFFFAOYSA-N -1 2 346.455 2.883 20 0 EFADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1c(C)cc(C)nc1C ZINC001610077093 1098540771 /nfs/dbraw/zinc/54/07/71/1098540771.db2.gz JEJXSTIEHAMHKU-UHFFFAOYSA-N -1 2 338.385 2.661 20 0 EFADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccnc(Cl)c1C ZINC001610080783 1098542432 /nfs/dbraw/zinc/54/24/32/1098542432.db2.gz ZTGUHBLXPUKIFH-UHFFFAOYSA-N -1 2 344.776 2.698 20 0 EFADLM CN(Cc1nc(=O)c2sccc2[nH]1)[C@@H](C(=O)[O-])c1ccsc1 ZINC001610126700 1098554346 /nfs/dbraw/zinc/55/43/46/1098554346.db2.gz VIKIKIITDAEANC-LLVKDONJSA-N -1 2 335.410 2.716 20 0 EFADLM Cc1nc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)sc1C ZINC001610467133 1098694600 /nfs/dbraw/zinc/69/46/00/1098694600.db2.gz MHIXYLIPEGPJMU-UHFFFAOYSA-N -1 2 344.389 2.706 20 0 EFADLM O=C([O-])c1cncc(NS(=O)(=O)c2csc3ccccc32)c1 ZINC001610865585 1098943989 /nfs/dbraw/zinc/94/39/89/1098943989.db2.gz IRCMWRPUMYXESN-UHFFFAOYSA-N -1 2 334.378 2.795 20 0 EFADLM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2c(O)cc(F)cc2F)C1 ZINC001610880909 1098956712 /nfs/dbraw/zinc/95/67/12/1098956712.db2.gz LWQWWUCIVCUEDY-GOSISDBHSA-N -1 2 347.317 2.539 20 0 EFADLM O=C([O-])c1csc(S(=O)(=O)Nc2cccc(OC(F)F)c2)c1 ZINC000071798582 202353455 /nfs/dbraw/zinc/35/34/55/202353455.db2.gz RFMYRVYHDPVQPJ-UHFFFAOYSA-N -1 2 349.336 2.849 20 0 EFADLM Cc1c(NS(=O)(=O)c2cccc(F)c2F)cccc1C(=O)[O-] ZINC000078481244 201186824 /nfs/dbraw/zinc/18/68/24/201186824.db2.gz DGJWPNLMSSUZOT-UHFFFAOYSA-N -1 2 327.308 2.772 20 0 EFADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cccc(F)c1F ZINC000072071375 201173644 /nfs/dbraw/zinc/17/36/44/201173644.db2.gz MOYANAHZWYQSOD-UHFFFAOYSA-N -1 2 331.271 2.603 20 0 EFADLM CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc(F)c(F)c2O)no1 ZINC000414384885 244125537 /nfs/dbraw/zinc/12/55/37/244125537.db2.gz QSNBDJPQAZDDGK-UHFFFAOYSA-N -1 2 346.355 2.898 20 0 EFADLM Cc1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1C(=O)[O-] ZINC000076082341 203335748 /nfs/dbraw/zinc/33/57/48/203335748.db2.gz RISUXRYMPKXOEX-UHFFFAOYSA-N -1 2 345.298 2.911 20 0 EFADLM CC(C)c1nnc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)o1 ZINC000102767861 204048845 /nfs/dbraw/zinc/04/88/45/204048845.db2.gz GBMVLVVYCOMIJO-UHFFFAOYSA-N -1 2 344.415 2.749 20 0 EFADLM 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Fc1ccc([C@@H]2CCC[N@@H+]2Cc2cncc(-c3nn[nH]n3)c2)c(F)c1 ZINC001592647678 1094161895 /nfs/dbraw/zinc/16/18/95/1094161895.db2.gz VRAFBHATNHRQNE-INIZCTEOSA-N -1 2 342.353 2.877 20 0 EFADLM Fc1ccc([C@@H]2CCC[N@H+]2Cc2cncc(-c3nn[nH]n3)c2)c(F)c1 ZINC001592647678 1094161897 /nfs/dbraw/zinc/16/18/97/1094161897.db2.gz VRAFBHATNHRQNE-INIZCTEOSA-N -1 2 342.353 2.877 20 0 EFADLM Cc1cc(NS(=O)(=O)c2cccc3c(C)ccnc32)c(C(=O)[O-])[nH]1 ZINC001600283896 1094944321 /nfs/dbraw/zinc/94/43/21/1094944321.db2.gz LFZWRKCIDOUZBZ-UHFFFAOYSA-N -1 2 345.380 2.679 20 0 EFADLM Cc1cc(S(=O)(=O)Nc2cccc(OCC(=O)[O-])c2)sc1C ZINC001600301513 1094954951 /nfs/dbraw/zinc/95/49/51/1094954951.db2.gz LAFJQPBVJDZQHR-UHFFFAOYSA-N -1 2 341.410 2.629 20 0 EFADLM Cc1ccc(-c2cc(C(=O)O[C@H]3C[C@H]4C[C@H](C(=O)[O-])C[C@H]43)[nH]n2)o1 ZINC001600312551 1094962986 /nfs/dbraw/zinc/96/29/86/1094962986.db2.gz GDJVSTYVZWEXIQ-RSQPEXBXSA-N -1 2 330.340 2.634 20 0 EFADLM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2cc(F)c(O)c(F)c2)c1 ZINC001600516982 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O=S(=O)(Nc1ccccc1[S-])c1ccc(Br)cn1 ZINC001196156127 1294152489 /nfs/dbraw/zinc/15/24/89/1294152489.db2.gz VZHBAVIMFZZLFJ-UHFFFAOYSA-N -1 2 345.243 2.934 20 0 EFADLM CCC[C@@H](CC(=O)OCC)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234331345 1313105043 /nfs/dbraw/zinc/10/50/43/1313105043.db2.gz GGUMIJSGCHWAFE-ZDUSSCGKSA-N -1 2 332.289 2.659 20 0 EFADLM CCC[C@@H](CC(=O)OCC)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234331345 1313105045 /nfs/dbraw/zinc/10/50/45/1313105045.db2.gz GGUMIJSGCHWAFE-ZDUSSCGKSA-N -1 2 332.289 2.659 20 0 EFADLM CC(C)(C)C(=O)OC1CC(Oc2ccc(O[P@@](=O)([O-])O)cc2)C1 ZINC001234332681 1313105976 /nfs/dbraw/zinc/10/59/76/1313105976.db2.gz QZXCCTJEAKQAJO-UHFFFAOYSA-N -1 2 344.300 2.657 20 0 EFADLM CC(C)(C)C(=O)OC1CC(Oc2ccc(O[P@](=O)([O-])O)cc2)C1 ZINC001234332681 1313105979 /nfs/dbraw/zinc/10/59/79/1313105979.db2.gz QZXCCTJEAKQAJO-UHFFFAOYSA-N -1 2 344.300 2.657 20 0 EFADLM CC(C)Oc1cncc(COc2ccc(O[P@@](=O)([O-])O)cc2)c1 ZINC001234335976 1313107336 /nfs/dbraw/zinc/10/73/36/1313107336.db2.gz 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C[N@H+]1Cc2ccccc2[C@H]1CNc1ccc(Cl)c(-c2nn[nH]n2)n1 ZINC001604872432 1096973243 /nfs/dbraw/zinc/97/32/43/1096973243.db2.gz HWORSGAAQLBITJ-CYBMUJFWSA-N -1 2 341.806 2.514 20 0 EFADLM COc1ccc(C[N@H+](C)Cc2ccc(-c3nn[nH]n3)o2)cc1Cl ZINC001605274362 1097078077 /nfs/dbraw/zinc/07/80/77/1097078077.db2.gz DLKQJQUGJKUAPK-UHFFFAOYSA-N -1 2 333.779 2.754 20 0 EFADLM COc1ccc(C[N@@H+](C)Cc2ccc(-c3nn[nH]n3)o2)cc1Cl ZINC001605274362 1097078083 /nfs/dbraw/zinc/07/80/83/1097078083.db2.gz DLKQJQUGJKUAPK-UHFFFAOYSA-N -1 2 333.779 2.754 20 0 EFADLM CCCc1csc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC001605379046 1097110710 /nfs/dbraw/zinc/11/07/10/1097110710.db2.gz QTJIIHJFRORXOU-UHFFFAOYSA-N -1 2 326.399 2.595 20 0 EFADLM COc1c(NS(=O)(=O)c2cc(C)sc2C)cccc1C(=O)[O-] ZINC001607049871 1097503540 /nfs/dbraw/zinc/50/35/40/1097503540.db2.gz MINFENYVYCEHCK-UHFFFAOYSA-N -1 2 341.410 2.873 20 0 EFADLM COc1cc(C)c(C)cc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001607146655 1097543642 /nfs/dbraw/zinc/54/36/42/1097543642.db2.gz DGDKSVHKKBLSEK-UHFFFAOYSA-N -1 2 341.410 2.873 20 0 EFADLM Cc1n[nH]c(SCc2c(Br)cccc2C(=O)[O-])n1 ZINC001608017347 1097805546 /nfs/dbraw/zinc/80/55/46/1097805546.db2.gz VVGHYNYTWDSGFC-UHFFFAOYSA-N -1 2 328.191 2.866 20 0 EFADLM Cc1oc(C(=O)[O-])cc1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC001608036016 1097812580 /nfs/dbraw/zinc/81/25/80/1097812580.db2.gz JVUGGEWCRXKONW-UHFFFAOYSA-N -1 2 348.265 2.602 20 0 EFADLM Cc1oc(C)c(S(=O)(=O)Nc2ccnc(Cl)c2C)c1C(=O)[O-] ZINC001608042863 1097814171 /nfs/dbraw/zinc/81/41/71/1097814171.db2.gz CIHCGUUOIMDFAC-UHFFFAOYSA-N -1 2 344.776 2.752 20 0 EFADLM O=C([O-])C[C@@H]1CN(C(=O)c2cc(F)c(O)c(F)c2)c2ccccc21 ZINC001608699755 1097993245 /nfs/dbraw/zinc/99/32/45/1097993245.db2.gz FLCIEFGAHIQRTR-SNVBAGLBSA-N -1 2 333.290 2.889 20 0 EFADLM O=C([O-])CCCONC(=O)C1(c2cc(F)cc(F)c2)CCCC1 ZINC001608715794 1097998672 /nfs/dbraw/zinc/99/86/72/1097998672.db2.gz GHIXGGPBFQIFBQ-UHFFFAOYSA-N -1 2 327.327 2.689 20 0 EFADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc(C3CCC3)cs2)cs1 ZINC001608862444 1098047636 /nfs/dbraw/zinc/04/76/36/1098047636.db2.gz OFRSUFOREVEJLR-UHFFFAOYSA-N -1 2 344.439 2.971 20 0 EFADLM O=C([O-])c1ccc(CNC(=O)c2cc(F)cc(Cl)c2O)c(F)c1 ZINC001608884494 1098058176 /nfs/dbraw/zinc/05/81/76/1098058176.db2.gz XADOGESWWRKICF-UHFFFAOYSA-N -1 2 341.697 2.952 20 0 EFADLM O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)c2cccc(Cl)c2O)C1 ZINC001609029118 1098117024 /nfs/dbraw/zinc/11/70/24/1098117024.db2.gz JNFFLJWMRFATDN-LBPRGKRZSA-N -1 2 337.681 2.525 20 0 EFADLM C[C@@](CNC(=O)c1cccc(Cl)c1O)(C(=O)[O-])c1ccccc1 ZINC001609745815 1098444604 /nfs/dbraw/zinc/44/46/04/1098444604.db2.gz BZAJULPRIMMOKN-KRWDZBQOSA-N -1 2 333.771 2.818 20 0 EFADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cnc2ccccc2c1 ZINC001610078653 1098541502 /nfs/dbraw/zinc/54/15/02/1098541502.db2.gz BFXIGVARTCVUCJ-UHFFFAOYSA-N -1 2 346.364 2.889 20 0 EFADLM COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)[O-])s2)c1 ZINC001610337222 1098626959 /nfs/dbraw/zinc/62/69/59/1098626959.db2.gz VBZMUXQYEPTNMM-UHFFFAOYSA-N -1 2 347.801 2.909 20 0 EFADLM COc1ccc(S(=O)(=O)Nc2scc(C)c2C(=O)[O-])cc1C ZINC001610350133 1098632830 /nfs/dbraw/zinc/63/28/30/1098632830.db2.gz VVORDAKNLZJXFX-UHFFFAOYSA-N -1 2 341.410 2.873 20 0 EFADLM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)C(F)C(F)(F)F)cc1 ZINC001610385852 1098648685 /nfs/dbraw/zinc/64/86/85/1098648685.db2.gz OBIQVJKZFWMZAO-MWLCHTKSSA-N -1 2 339.310 2.941 20 0 EFADLM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@@H](F)C(F)(F)F)cc1 ZINC001610385852 1098648695 /nfs/dbraw/zinc/64/86/95/1098648695.db2.gz OBIQVJKZFWMZAO-MWLCHTKSSA-N -1 2 339.310 2.941 20 0 EFADLM O=C([O-])COc1ccc(NS(=O)(=O)c2ccoc2)c2ccccc12 ZINC001610787192 1098887420 /nfs/dbraw/zinc/88/74/20/1098887420.db2.gz NIAJOMWRGQXDBR-UHFFFAOYSA-N -1 2 347.348 2.697 20 0 EFADLM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)c2c(O)cc(F)cc2F)C1 ZINC001610880910 1098956211 /nfs/dbraw/zinc/95/62/11/1098956211.db2.gz LWQWWUCIVCUEDY-SFHVURJKSA-N -1 2 347.317 2.539 20 0 EFADLM O=[P@@]([O-])(O)c1ccc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)cc1 ZINC001168070292 1102374103 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Cc1cc(S(=O)(=O)Nc2ccn(C(C)C)n2)cc(C(=O)[O-])c1C ZINC000280967613 273386640 /nfs/dbraw/zinc/38/66/40/273386640.db2.gz LCCPCFDJKIXBNC-UHFFFAOYSA-N -1 2 337.401 2.580 20 0 EFADLM CCc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)s1 ZINC000124646028 293001031 /nfs/dbraw/zinc/00/10/31/293001031.db2.gz GAHMIKBSUZEEEA-UHFFFAOYSA-N -1 2 327.383 2.515 20 0 EFADLM O=C([O-])c1csc(S(=O)(=O)Nc2cccc3ccncc32)c1 ZINC000316445429 311235407 /nfs/dbraw/zinc/23/54/07/311235407.db2.gz ROZWLAYQNNWEHB-UHFFFAOYSA-N -1 2 334.378 2.795 20 0 EFADLM CCc1ccc(S(=O)(=O)Nc2cc(OC)ccc2C(=O)[O-])s1 ZINC000316542082 311235452 /nfs/dbraw/zinc/23/54/52/311235452.db2.gz BRCKMLJWKQCIET-UHFFFAOYSA-N -1 2 341.410 2.818 20 0 EFADLM CCc1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)s1 ZINC000489010992 313535412 /nfs/dbraw/zinc/53/54/12/313535412.db2.gz KJMWKMWWDMNSPQ-UHFFFAOYSA-N -1 2 340.426 2.821 20 0 EFADLM O=C(N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1)c1cccc2[nH]nnc21 ZINC000530320418 317107289 /nfs/dbraw/zinc/10/72/89/317107289.db2.gz 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CC/C=C\CCOC(=O)[C@@H](C)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234332225 1313105699 /nfs/dbraw/zinc/10/56/99/1313105699.db2.gz NNMNMMNTBHMWQV-QMAVJUDZSA-N -1 2 344.300 2.825 20 0 EFADLM CCOC(=O)[C@H](CC(C)C)Oc1ccc(O[P@@](=O)([O-])O)cc1 ZINC001234332624 1313105887 /nfs/dbraw/zinc/10/58/87/1313105887.db2.gz QPSYBEPZSVUGMU-ZDUSSCGKSA-N -1 2 332.289 2.515 20 0 EFADLM CCOC(=O)[C@H](CC(C)C)Oc1ccc(O[P@](=O)([O-])O)cc1 ZINC001234332624 1313105891 /nfs/dbraw/zinc/10/58/91/1313105891.db2.gz QPSYBEPZSVUGMU-ZDUSSCGKSA-N -1 2 332.289 2.515 20 0 EFADLM COc1ccc([C@H](C)Oc2ccc(O[P@@](=O)([O-])O)cc2)cn1 ZINC001234333615 1313106605 /nfs/dbraw/zinc/10/66/05/1313106605.db2.gz YXCAWZKWFAVJEQ-JTQLQIEISA-N -1 2 325.257 2.702 20 0 EFADLM COc1ccc([C@H](C)Oc2ccc(O[P@](=O)([O-])O)cc2)cn1 ZINC001234333615 1313106608 /nfs/dbraw/zinc/10/66/08/1313106608.db2.gz YXCAWZKWFAVJEQ-JTQLQIEISA-N -1 2 325.257 2.702 20 0 EFADLM CC(C)C[C@@H](Oc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)OC(C)C ZINC001234340586 1313108799 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Cc1cnc(C[N@@H+]2CCC[C@@H]2CNC(=O)c2ccccc2O)s1 ZINC001027762581 716887693 /nfs/dbraw/zinc/88/76/93/716887693.db2.gz ZTVKPSFTRSECDD-CYBMUJFWSA-N -1 2 331.441 2.552 20 0 EFADLM Cc1cnc([C@@H](C)[N@@H+]2C[C@@H](NC(=O)c3ccccc3O)C(C)(C)C2)o1 ZINC000972815594 717356687 /nfs/dbraw/zinc/35/66/87/717356687.db2.gz UVLRYIMLBNDSPV-CZUORRHYSA-N -1 2 343.427 2.890 20 0 EFADLM O=C(NC[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)c1ncccc1O ZINC001027844335 717519859 /nfs/dbraw/zinc/51/98/59/717519859.db2.gz QRAAFFTZWWVRKZ-HNNXBMFYSA-N -1 2 345.830 2.835 20 0 EFADLM O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccns1)c1ccccc1O ZINC001024337115 717616574 /nfs/dbraw/zinc/61/65/74/717616574.db2.gz KJIFDFMGDFWAQV-ZDUSSCGKSA-N -1 2 331.441 2.633 20 0 EFADLM O=C([O-])C[C@H]1CN(C(=O)c2cc(C(F)(F)F)n[nH]2)c2ccccc21 ZINC000910367012 727434638 /nfs/dbraw/zinc/43/46/38/727434638.db2.gz MKZYYBAQBDRDER-QMMMGPOBSA-N -1 2 339.273 2.647 20 0 EFADLM C[C@@H]1C[C@H](C(=O)Nc2cc(Cl)c(O)c(Cl)c2)O[C@H]1C(=O)[O-] ZINC000911155856 727503889 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CC(C)c1csc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000042306129 957408265 /nfs/dbraw/zinc/40/82/65/957408265.db2.gz FYZUPIDCSZNXGL-UHFFFAOYSA-N -1 2 326.399 2.766 20 0 EFADLM COCc1cccc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1 ZINC000390477105 972288150 /nfs/dbraw/zinc/28/81/50/972288150.db2.gz CZPWJDRALSCFJL-UHFFFAOYSA-N -1 2 339.369 2.542 20 0 EFADLM Cc1ccc(-c2n[nH]c(NC(=O)[C@@H](C(=O)[O-])C3CCCC3)n2)cc1 ZINC001594338148 958282768 /nfs/dbraw/zinc/28/27/68/958282768.db2.gz XASRDERNLVOCKP-ZDUSSCGKSA-N -1 2 328.372 2.610 20 0 EFADLM Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c(Cl)n1 ZINC000193341388 959617799 /nfs/dbraw/zinc/61/77/99/959617799.db2.gz NPPOMWRBNYUJTB-UHFFFAOYSA-N -1 2 326.761 2.542 20 0 EFADLM O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1cc(F)cc(Cl)c1O)C2 ZINC001571176763 962110926 /nfs/dbraw/zinc/11/09/26/962110926.db2.gz AAYPELMISKGXND-AYVTZFPOSA-N -1 2 327.739 2.512 20 0 EFADLM O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)c1cccc(Cl)c1O ZINC001571216549 962509751 /nfs/dbraw/zinc/50/97/51/962509751.db2.gz 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CC[N@@H+](Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)[C@H](C)C(=O)[O-] ZINC001596378484 983896884 /nfs/dbraw/zinc/89/68/84/983896884.db2.gz VKEFCKOLXRIMFR-SNVBAGLBSA-N -1 2 334.397 2.803 20 0 EFADLM CC(=O)c1ccccc1NS(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC001589315881 986109932 /nfs/dbraw/zinc/10/99/32/986109932.db2.gz GUTSCIMENLJXBV-UHFFFAOYSA-N -1 2 337.353 2.598 20 0 EFADLM CC(=O)c1ccccc1NS(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001589316271 986110802 /nfs/dbraw/zinc/11/08/02/986110802.db2.gz OIQWILUJXCNJGA-UHFFFAOYSA-N -1 2 339.394 2.758 20 0 EFADLM C[C@@H](C(=O)[O-])c1ccc(NS(=O)(=O)c2cnn(C3CCC3)c2)cc1 ZINC001589523876 987194736 /nfs/dbraw/zinc/19/47/36/987194736.db2.gz UEWFVPKPTQIZPM-LLVKDONJSA-N -1 2 349.412 2.597 20 0 EFADLM CCc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cnn(C(C)C)c1 ZINC001597466213 987910276 /nfs/dbraw/zinc/91/02/76/987910276.db2.gz NEOBAGJMJCGUSJ-UHFFFAOYSA-N -1 2 337.401 2.525 20 0 EFADLM CC(C)(C)c1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC001590493470 990095743 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c1nc2cc(C[N@@H+]3Cc4cccc(-c5nn[nH]n5)c4C3)ccc2s1 ZINC001593566718 1094373816 /nfs/dbraw/zinc/37/38/16/1094373816.db2.gz OLMYETXSTUEABM-UHFFFAOYSA-N -1 2 334.408 2.992 20 0 EFADLM O=C(Cc1ccc(O)c(F)c1)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001594976043 1094448606 /nfs/dbraw/zinc/44/86/06/1094448606.db2.gz NOKXGGARUIISEY-UHFFFAOYSA-N -1 2 339.370 2.635 20 0 EFADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1nc(C(C)(C)C)co1 ZINC001600125266 1094787322 /nfs/dbraw/zinc/78/73/22/1094787322.db2.gz IHKYDIPFDKJPDT-UHFFFAOYSA-N -1 2 338.385 2.780 20 0 EFADLM Cc1cc(NS(=O)(=O)c2csnc2C(=O)[O-])cc(C)c1Cl ZINC001600284160 1094944550 /nfs/dbraw/zinc/94/45/50/1094944550.db2.gz ZBZMKUMHNYCRNA-UHFFFAOYSA-N -1 2 346.817 2.912 20 0 EFADLM Cc1ccc(-c2cc(C(=O)OCc3ccccc3CC(=O)[O-])[nH]n2)o1 ZINC001600313154 1094962623 /nfs/dbraw/zinc/96/26/23/1094962623.db2.gz PJSIMQMIYNNEQG-UHFFFAOYSA-N -1 2 340.335 2.962 20 0 EFADLM Cc1noc(C(C)C)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC001600362480 1095004223 /nfs/dbraw/zinc/00/42/23/1095004223.db2.gz IGEXIZCZXJYGPI-UHFFFAOYSA-N -1 2 338.385 2.914 20 0 EFADLM Cc1ccc(S(=O)(=O)Nc2cc3[nH]ncc3c(C)c2)c(C(=O)[O-])c1 ZINC001600482973 1095097792 /nfs/dbraw/zinc/09/77/92/1095097792.db2.gz QUMPZYXPNWVDJC-UHFFFAOYSA-N -1 2 345.380 2.679 20 0 EFADLM Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])nc2)c1Cl ZINC001600550194 1095156901 /nfs/dbraw/zinc/15/69/01/1095156901.db2.gz JWTNROPQVMZMQM-UHFFFAOYSA-N -1 2 326.761 2.542 20 0 EFADLM Cc1oc(C)c(S(=O)(=O)Nc2cc3n[nH]cc3c(C)c2)c1C(=O)[O-] ZINC001600838618 1095369016 /nfs/dbraw/zinc/36/90/16/1095369016.db2.gz OILYERAADWGHFO-UHFFFAOYSA-N -1 2 349.368 2.580 20 0 EFADLM O=C([O-])CCCONC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 ZINC001601995058 1096012382 /nfs/dbraw/zinc/01/23/82/1096012382.db2.gz OMMNUSNMFTUNJO-UHFFFAOYSA-N -1 2 331.290 2.650 20 0 EFADLM O=C([O-])CCCc1csc(NC(=O)c2cc(F)c(O)c(F)c2)n1 ZINC001602000023 1096014459 /nfs/dbraw/zinc/01/44/59/1096014459.db2.gz WQACCYBEVDYTDN-UHFFFAOYSA-N -1 2 342.323 2.787 20 0 EFADLM O=C([O-])c1ccc(O)cc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC001602388526 1096218769 /nfs/dbraw/zinc/21/87/69/1096218769.db2.gz MKUKOBQAWQFVNW-UHFFFAOYSA-N -1 2 345.735 2.684 20 0 EFADLM O=C([O-])c1cccc(S(=O)(=O)Nc2nc(C3CCC3)cs2)c1 ZINC001602452565 1096252785 /nfs/dbraw/zinc/25/27/85/1096252785.db2.gz KEJCYEJJTYJCOR-UHFFFAOYSA-N -1 2 338.410 2.910 20 0 EFADLM O=C([O-])c1ccnc(NS(=O)(=O)c2cccc(C(F)F)c2)c1 ZINC001602483404 1096267806 /nfs/dbraw/zinc/26/78/06/1096267806.db2.gz NIJQEXZCIRYYCU-UHFFFAOYSA-N -1 2 328.296 2.518 20 0 EFADLM O=C([O-])c1sc(NS(=O)(=O)c2ccoc2)nc1C1CCCC1 ZINC001602591750 1096311122 /nfs/dbraw/zinc/31/11/22/1096311122.db2.gz PLTRBSCQBLKKSA-UHFFFAOYSA-N -1 2 342.398 2.893 20 0 EFADLM C[C@@](CC(=O)[O-])(NC(=O)c1cccc(Cl)c1O)c1ccncc1 ZINC001604087981 1096727211 /nfs/dbraw/zinc/72/72/11/1096727211.db2.gz LOOJHMBQEILUKB-INIZCTEOSA-N -1 2 334.759 2.561 20 0 EFADLM C[C@@H]1CC[C@@](NC(=O)C(F)C(F)(F)F)(C(=O)[O-])c2ccccc21 ZINC001604701955 1096935394 /nfs/dbraw/zinc/93/53/94/1096935394.db2.gz RAZXXXJKJVUEJI-YKHWKNEFSA-N -1 2 333.281 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20 0 EFADLM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2c(O)cc(F)cc2F)cc1 ZINC001610492824 1098711254 /nfs/dbraw/zinc/71/12/54/1098711254.db2.gz BXGBRAFQDRHFNY-CYBMUJFWSA-N -1 2 335.306 2.925 20 0 EFADLM Cc1ccc([C@@H](NC(=O)c2cc(F)c(O)c(F)c2)C(=O)[O-])cc1C ZINC001610494580 1098713123 /nfs/dbraw/zinc/71/31/23/1098713123.db2.gz QYTVNHCRLRRXHG-CQSZACIVSA-N -1 2 335.306 2.843 20 0 EFADLM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1cccc(C)c1O ZINC001610523787 1098729823 /nfs/dbraw/zinc/72/98/23/1098729823.db2.gz DOYIAZPSATUYLM-UHFFFAOYSA-N -1 2 327.383 2.570 20 0 EFADLM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1c(C)cccc1O ZINC001610524492 1098731819 /nfs/dbraw/zinc/73/18/19/1098731819.db2.gz URAHJOFWWDHVMI-UHFFFAOYSA-N -1 2 327.383 2.570 20 0 EFADLM Cc1cccc(S(=O)(=O)Nc2cnc(C(C)(C)C)nc2)c1C(=O)[O-] ZINC001610526518 1098732150 /nfs/dbraw/zinc/73/21/50/1098732150.db2.gz DRBUANRJABVULX-UHFFFAOYSA-N -1 2 349.412 2.582 20 0 EFADLM O=C([O-])CCSc1ncccc1NS(=O)(=O)c1ccsc1 ZINC001610777707 1098881154 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O=C([O-])Cc1cccc(NS(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000078870080 217135324 /nfs/dbraw/zinc/13/53/24/217135324.db2.gz XKZZABNDCKZZGB-UHFFFAOYSA-N -1 2 345.298 2.532 20 0 EFADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2c(C)cccc2O)c1 ZINC000346402842 142200419 /nfs/dbraw/zinc/20/04/19/142200419.db2.gz BKHKHEHJBIZWLM-UHFFFAOYSA-N -1 2 339.344 2.647 20 0 EFADLM CC[C@H](C)n1nc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1C ZINC000342778804 145190393 /nfs/dbraw/zinc/19/03/93/145190393.db2.gz KGECBNYHFQASFO-JTQLQIEISA-N -1 2 337.401 2.662 20 0 EFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2scnc2C2CC2)cc1F ZINC000342782215 145191142 /nfs/dbraw/zinc/19/11/42/145191142.db2.gz OJIFLGQQBVBWJA-UHFFFAOYSA-N -1 2 342.373 2.659 20 0 EFADLM Cc1ncc(S(=O)(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)s1 ZINC000350728968 146084339 /nfs/dbraw/zinc/08/43/39/146084339.db2.gz HDWBCNMZQXEYJJ-SECBINFHSA-N -1 2 340.426 2.516 20 0 EFADLM Cc1ccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2F)c(O)c1 ZINC000356039913 147130280 /nfs/dbraw/zinc/13/02/80/147130280.db2.gz 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295066994 /nfs/dbraw/zinc/06/69/94/295066994.db2.gz WLKOCNOAPNRUSL-UHFFFAOYSA-N -1 2 341.289 2.668 20 0 EFADLM C[C@H]([N@H+](C)Cc1cc(=O)oc2cc(O)c(Cl)cc12)C(C)(C)O ZINC000295054825 295262174 /nfs/dbraw/zinc/26/21/74/295262174.db2.gz BKXJAESZQNFBFE-VIFPVBQESA-N -1 2 325.792 2.743 20 0 EFADLM Cc1nc(=NC(=O)c2cc(Cl)cc(Br)c2[O-])s[nH]1 ZINC000439109356 312633774 /nfs/dbraw/zinc/63/37/74/312633774.db2.gz OWYBTJQDTQSWKU-UHFFFAOYSA-N -1 2 348.609 2.642 20 0 EFADLM O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1cccc2[nH]nnc21 ZINC000525864046 316248886 /nfs/dbraw/zinc/24/88/86/316248886.db2.gz HNVLAOOTGLJYHM-CVEARBPZSA-N -1 2 340.358 2.747 20 0 EFADLM CCc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1sccc1OC ZINC000532364480 317391156 /nfs/dbraw/zinc/39/11/56/317391156.db2.gz CNYHXXXKQMYEKM-UHFFFAOYSA-N -1 2 341.410 2.818 20 0 EFADLM Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000547559868 318018930 /nfs/dbraw/zinc/01/89/30/318018930.db2.gz SCXCZHBHEFCWPI-UHFFFAOYSA-N -1 2 345.298 2.911 20 0 EFADLM Cc1nc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2C)s1 ZINC000548198045 318083860 /nfs/dbraw/zinc/08/38/60/318083860.db2.gz XPHLNISWRUHSKP-UHFFFAOYSA-N -1 2 326.399 2.567 20 0 EFADLM O=c1cc(C[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)nc(C2CC2)[nH]1 ZINC000567348466 319162867 /nfs/dbraw/zinc/16/28/67/319162867.db2.gz UCYVBGLQAGHUAP-UHFFFAOYSA-N -1 2 347.422 2.804 20 0 EFADLM O=C([O-])c1ccc(NS(=O)(=O)c2cccc(Cl)c2F)cc1O ZINC000148781129 473323045 /nfs/dbraw/zinc/32/30/45/473323045.db2.gz AHSOHMTZTVFQKG-UHFFFAOYSA-N -1 2 345.735 2.684 20 0 EFADLM CC(C)n1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000389170041 476782048 /nfs/dbraw/zinc/78/20/48/476782048.db2.gz YRARDPZPLSJOJU-UHFFFAOYSA-N -1 2 343.792 2.616 20 0 EFADLM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000007053742 471588376 /nfs/dbraw/zinc/58/83/76/471588376.db2.gz NGECUFLQIYNRDD-UHFFFAOYSA-N -1 2 331.271 2.603 20 0 EFADLM CCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000015243667 471893031 /nfs/dbraw/zinc/89/30/31/471893031.db2.gz 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O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000291560842 474618914 /nfs/dbraw/zinc/61/89/14/474618914.db2.gz NAJCEELRXOEUBP-CYBMUJFWSA-N -1 2 328.334 2.608 20 0 EFADLM CC[NH+](CC)[C@@H](CNS(=O)(=O)c1sccc1F)c1ccco1 ZINC000338877709 474694667 /nfs/dbraw/zinc/69/46/67/474694667.db2.gz UCSYKWHJUHRKOB-LBPRGKRZSA-N -1 2 346.449 2.842 20 0 EFADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cc(C)ccc1F ZINC000320812571 474918276 /nfs/dbraw/zinc/91/82/76/474918276.db2.gz LFOKHDZKMXBIQZ-UHFFFAOYSA-N -1 2 339.344 2.642 20 0 EFADLM O=C([O-])c1cc(F)c(F)cc1NS(=O)(=O)c1c(F)cccc1F ZINC000321103369 474922402 /nfs/dbraw/zinc/92/24/02/474922402.db2.gz MXPXYOVGFXJQEY-UHFFFAOYSA-N -1 2 349.261 2.742 20 0 EFADLM Cc1cccc(NS(=O)(=O)c2c(F)cc(F)cc2F)c1C(=O)[O-] ZINC000321669226 474930180 /nfs/dbraw/zinc/93/01/80/474930180.db2.gz UYKZLIGAWGZBEJ-UHFFFAOYSA-N -1 2 345.298 2.911 20 0 EFADLM O=C([O-])Cc1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000322330739 474938445 /nfs/dbraw/zinc/93/84/45/474938445.db2.gz NIBPHLFTSDKYPJ-UHFFFAOYSA-N -1 2 345.298 2.532 20 0 EFADLM Cc1cc(C)c(S(=O)(=O)Nc2ccn(C(C)C)n2)cc1C(=O)[O-] ZINC000281224789 475123715 /nfs/dbraw/zinc/12/37/15/475123715.db2.gz UGTPBXDBOUZAES-UHFFFAOYSA-N -1 2 337.401 2.580 20 0 EFADLM COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cc(C)c(C)s2)c1 ZINC000358554773 475767005 /nfs/dbraw/zinc/76/70/05/475767005.db2.gz KJNYHVQSUJMLKK-UHFFFAOYSA-N -1 2 341.410 2.873 20 0 EFADLM CCOc1cc(C[N@H+]2CCOC[C@H]2CCOC)cc(Cl)c1O ZINC000297472801 475770596 /nfs/dbraw/zinc/77/05/96/475770596.db2.gz RILATDACXOUEQU-CYBMUJFWSA-N -1 2 329.824 2.682 20 0 EFADLM CCOC(=O)C[N@H+](Cc1cc(Cl)c(O)c(OCC)c1)C1CC1 ZINC000297663862 475848918 /nfs/dbraw/zinc/84/89/18/475848918.db2.gz JQTXRODNDIGGJF-UHFFFAOYSA-N -1 2 327.808 2.972 20 0 EFADLM CCOc1cc(C[N@H+]2C[C@H](C)O[C@@]3(CCOC3)C2)cc(Cl)c1O ZINC000298054038 475966972 /nfs/dbraw/zinc/96/69/72/475966972.db2.gz JCTOOTKEWACFGT-SJCJKPOMSA-N -1 2 341.835 2.824 20 0 EFADLM COc1cc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1F ZINC000359082942 476172423 /nfs/dbraw/zinc/17/24/23/476172423.db2.gz YRWKUZUIVFVVJS-UHFFFAOYSA-N -1 2 345.373 2.703 20 0 EFADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)c(O)c1 ZINC000340743782 476245400 /nfs/dbraw/zinc/24/54/00/476245400.db2.gz UFFRQXZVFZFWOK-UHFFFAOYSA-N -1 2 345.735 2.684 20 0 EFADLM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000357204822 476288878 /nfs/dbraw/zinc/28/88/78/476288878.db2.gz RWIXQGOLMLHVAV-UHFFFAOYSA-N -1 2 349.261 2.742 20 0 EFADLM O=C([O-])c1cc(NS(=O)(=O)c2cc(F)c(F)cc2F)ccc1F ZINC000357212500 476291967 /nfs/dbraw/zinc/29/19/67/476291967.db2.gz ZNWYEQYDKLZTMC-UHFFFAOYSA-N -1 2 349.261 2.742 20 0 EFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cncc3ccccc32)cs1 ZINC000396505459 476847475 /nfs/dbraw/zinc/84/74/75/476847475.db2.gz ASLGPABADRFABV-UHFFFAOYSA-N -1 2 334.378 2.795 20 0 EFADLM Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)n1 ZINC000447890529 477084733 /nfs/dbraw/zinc/08/47/33/477084733.db2.gz XQMAIRWRYLVEDT-HNNXBMFYSA-N -1 2 329.448 2.941 20 0 EFADLM O=C(N=c1nc(Cc2ccc(F)cc2F)[n-]s1)c1ccccc1O ZINC000436948289 477644954 /nfs/dbraw/zinc/64/49/54/477644954.db2.gz UDXOYSOMHDZOHB-UHFFFAOYSA-N -1 2 347.346 2.787 20 0 EFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc3[nH]ccc32)c(F)c1 ZINC000438765621 477883627 /nfs/dbraw/zinc/88/36/27/477883627.db2.gz OTKLWBWWUOATRZ-UHFFFAOYSA-N -1 2 334.328 2.806 20 0 EFADLM CCOc1nc2cc(C(=O)N[C@H]3C[C@H](C)n4cc[nH+]c43)ccc2[nH]1 ZINC000456412125 477920577 /nfs/dbraw/zinc/92/05/77/477920577.db2.gz HCZRCKAHXPZUTM-HZMBPMFUSA-N -1 2 325.372 2.594 20 0 EFADLM CC[C@@H](CS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O)OC ZINC000421146475 477980388 /nfs/dbraw/zinc/98/03/88/477980388.db2.gz DQITTZUVHGXAIH-QMMMGPOBSA-N -1 2 328.217 2.866 20 0 EFADLM CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(F)cc(Cl)c1O ZINC000421147144 477982397 /nfs/dbraw/zinc/98/23/97/477982397.db2.gz FGLARCWCAAPVNN-JTQLQIEISA-N -1 2 339.816 2.988 20 0 EFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)nn1C(C)C ZINC000571430385 478595295 /nfs/dbraw/zinc/59/52/95/478595295.db2.gz BXDCSAHCFSVYQJ-UHFFFAOYSA-N -1 2 343.430 2.641 20 0 EFADLM CCCn1ncc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1C1CC1 ZINC000572572989 478867223 /nfs/dbraw/zinc/86/72/23/478867223.db2.gz NBCJKFWPTGMADM-UHFFFAOYSA-N -1 2 349.412 2.670 20 0 EFADLM CCc1cc(=O)[nH]c(C[N@@H+]2CCCC[C@@H]2CC(=O)OC(C)(C)C)n1 ZINC000593093659 479170593 /nfs/dbraw/zinc/17/05/93/479170593.db2.gz CKPNJJKZYKSYPL-CQSZACIVSA-N -1 2 335.448 2.831 20 0 EFADLM CCOc1cc(C(=O)N2CC[N@@H+](C)C[C@@H]2CC)cc(Cl)c1O ZINC000584740216 479226117 /nfs/dbraw/zinc/22/61/17/479226117.db2.gz CCFLGZBSLIOURX-LBPRGKRZSA-N -1 2 326.824 2.611 20 0 EFADLM O=C(NCc1ccco1)[C@H]1CCC[N@H+]1Cc1cc(O)ccc1Cl ZINC000625165559 479797163 /nfs/dbraw/zinc/79/71/63/479797163.db2.gz OFYUYCNEZSKHOT-MRXNPFEDSA-N -1 2 334.803 2.919 20 0 EFADLM Cc1cc(S(=O)(=O)Nc2ccc(CCCC(=O)[O-])cc2)sn1 ZINC000634790293 480525965 /nfs/dbraw/zinc/52/59/65/480525965.db2.gz ADRXFIVVWJWCLV-UHFFFAOYSA-N -1 2 340.426 2.660 20 0 EFADLM Cc1cc(S(=O)(=O)Nc2ccc([C@H](C)CC(=O)[O-])cc2)sn1 ZINC000634791363 480527393 /nfs/dbraw/zinc/52/73/93/480527393.db2.gz WCDIYHWAVRCLOO-SECBINFHSA-N -1 2 340.426 2.831 20 0 EFADLM C[C@@H](C1CC1)n1cc(NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)cn1 ZINC000635819931 480653041 /nfs/dbraw/zinc/65/30/41/480653041.db2.gz JPZFKIFYWUHUTQ-LBPRGKRZSA-N -1 2 337.383 2.998 20 0 EFADLM Fc1cc(F)cc(-c2nc(=N[C@H]3CC[N@@H+]4CCCC[C@H]34)s[nH]2)c1 ZINC000645123090 480704952 /nfs/dbraw/zinc/70/49/52/480704952.db2.gz OXPRVJSXEWHTOT-UONOGXRCSA-N -1 2 336.411 2.944 20 0 EFADLM Fc1cc(F)cc(-c2nsc(N[C@@H]3CC[N@H+](CC4CC4)C3)n2)c1 ZINC000645165518 480724990 /nfs/dbraw/zinc/72/49/90/480724990.db2.gz FRAXVPUIAFCRRX-CQSZACIVSA-N -1 2 336.411 2.801 20 0 EFADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1 ZINC000351641138 546043298 /nfs/dbraw/zinc/04/32/98/546043298.db2.gz ZBMVILUWSXAHJK-UHFFFAOYSA-N -1 2 346.286 2.599 20 0 EFADLM Cc1cc(NS(=O)(=O)c2c(F)cccc2F)cc(C(=O)[O-])c1 ZINC000507588523 546295836 /nfs/dbraw/zinc/29/58/36/546295836.db2.gz ZRMVHFDPANVNPU-UHFFFAOYSA-N -1 2 327.308 2.772 20 0 EFADLM CO[C@@H](CS(=O)(=O)[N-]c1ccc(F)c(F)c1O)C1CCCC1 ZINC000656631826 546870088 /nfs/dbraw/zinc/87/00/88/546870088.db2.gz PQSGCAXXZQVKHT-LBPRGKRZSA-N -1 2 335.372 2.617 20 0 EFADLM CO[C@@H](C)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000737734209 577306640 /nfs/dbraw/zinc/30/66/40/577306640.db2.gz NQGZWVVWMSXLJL-VIFPVBQESA-N -1 2 341.410 2.955 20 0 EFADLM O=C([O-])Nc1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000738666889 599885964 /nfs/dbraw/zinc/88/59/64/599885964.db2.gz ICCXYTYFRWGNAU-UHFFFAOYSA-N -1 2 346.286 2.995 20 0 EFADLM Cc1cc(S(=O)(=O)Nc2nc(C)c(C(=O)[O-])s2)c(C)s1 ZINC000738251358 600054422 /nfs/dbraw/zinc/05/44/22/600054422.db2.gz JTYNSORRKAMHLP-UHFFFAOYSA-N -1 2 332.428 2.629 20 0 EFADLM O=C([O-])Nc1cc(NS(=O)(=O)c2ccccc2F)ccc1F ZINC000740013400 600101698 /nfs/dbraw/zinc/10/16/98/600101698.db2.gz JRPRRQOZNBXGEN-UHFFFAOYSA-N -1 2 328.296 2.856 20 0 EFADLM O=C([O-])c1sc2ccccc2c1S(=O)(=O)Nc1nccs1 ZINC000111830817 600101889 /nfs/dbraw/zinc/10/18/89/600101889.db2.gz HBYZIBJVNSYQGS-UHFFFAOYSA-N -1 2 340.407 2.857 20 0 EFADLM Cc1cccc(C[C@H](CNC(=O)c2c(O)cc(F)cc2F)C(=O)[O-])c1 ZINC000738709637 600103695 /nfs/dbraw/zinc/10/36/95/600103695.db2.gz VNYQPVLMMCZAKR-GFCCVEGCSA-N -1 2 349.333 2.652 20 0 EFADLM O=C([O-])c1ccnc(NC(=O)c2cccc(Br)c2O)c1 ZINC000740244079 600452689 /nfs/dbraw/zinc/45/26/89/600452689.db2.gz CPBFHSCWZOLXRG-UHFFFAOYSA-N -1 2 337.129 2.500 20 0 EFADLM Cc1oc(C)c(S(=O)(=O)Nc2ccc3[nH]ccc3c2)c1C(=O)[O-] ZINC000738968870 600565712 /nfs/dbraw/zinc/56/57/12/600565712.db2.gz FITGXRYGGTYSFD-UHFFFAOYSA-N -1 2 334.353 2.877 20 0 EFADLM Cc1ccsc1S(=O)(=O)Nc1ccc(CN(C)C(=O)[O-])cc1 ZINC000738798354 600894905 /nfs/dbraw/zinc/89/49/05/600894905.db2.gz IPDHZHRUSROZOD-UHFFFAOYSA-N -1 2 340.426 2.967 20 0 EFADLM O=C([O-])c1cc(S(=O)(=O)Nc2nc3ccccc3s2)cs1 ZINC000112332735 600974241 /nfs/dbraw/zinc/97/42/41/600974241.db2.gz PFKRWXVKQBCQKD-UHFFFAOYSA-N -1 2 340.407 2.857 20 0 EFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccnn2C2CCCC2)cs1 ZINC000833306349 600977537 /nfs/dbraw/zinc/97/75/37/600977537.db2.gz VLOQCUALEKCLGK-UHFFFAOYSA-N -1 2 341.414 2.559 20 0 EFADLM CC(C)c1cnc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)s1 ZINC000827139036 600983631 /nfs/dbraw/zinc/98/36/31/600983631.db2.gz CRQMGKNHFCBAEZ-UHFFFAOYSA-N -1 2 332.428 2.827 20 0 EFADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccnn2C(C)C)c1C ZINC000390280335 601358365 /nfs/dbraw/zinc/35/83/65/601358365.db2.gz LWKPMTINTATYMA-UHFFFAOYSA-N -1 2 337.401 2.580 20 0 EFADLM Cc1cc(NS(=O)(=O)c2cccc3ccc(C)nc32)c(C(=O)[O-])[nH]1 ZINC000832962164 601557972 /nfs/dbraw/zinc/55/79/72/601557972.db2.gz SDCYBZBPTQEDBZ-UHFFFAOYSA-N -1 2 345.380 2.679 20 0 EFADLM CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)[nH]n1 ZINC000829216702 601862051 /nfs/dbraw/zinc/86/20/51/601862051.db2.gz SGBLWWTVPDLPCN-JTQLQIEISA-N -1 2 337.401 2.812 20 0 EFADLM CCOc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)c(C)c1 ZINC000830094597 602115301 /nfs/dbraw/zinc/11/53/01/602115301.db2.gz PTNCYSJPYNTLLR-UHFFFAOYSA-N -1 2 341.410 2.954 20 0 EFADLM COc1ccc(Cl)c(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)c1 ZINC000832363173 602115750 /nfs/dbraw/zinc/11/57/50/602115750.db2.gz XMKKSKYEQBRQGT-UHFFFAOYSA-N -1 2 347.801 2.909 20 0 EFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(C3CCCC3)n[nH]2)cc1 ZINC000833323315 602308534 /nfs/dbraw/zinc/30/85/34/602308534.db2.gz BNCWPBPUMITBJU-UHFFFAOYSA-N -1 2 335.385 2.566 20 0 EFADLM O=C([O-])c1cccc(S(=O)(=O)Nc2cc(C3CCCCC3)n[nH]2)c1 ZINC000833333691 602309211 /nfs/dbraw/zinc/30/92/11/602309211.db2.gz FROYGPOVUQSVAB-UHFFFAOYSA-N -1 2 349.412 2.956 20 0 EFADLM O=C([O-])c1cncc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000390142372 604889567 /nfs/dbraw/zinc/88/95/67/604889567.db2.gz UKIGCEJYIPOWOP-UHFFFAOYSA-N -1 2 346.286 2.599 20 0 EFADLM O=C([O-])c1ccc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)cc1F ZINC000833165348 604997198 /nfs/dbraw/zinc/99/71/98/604997198.db2.gz HHHXAGDYVNDAEG-UHFFFAOYSA-N -1 2 344.277 2.700 20 0 EFADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(F)cc1F ZINC000833741675 605127239 /nfs/dbraw/zinc/12/72/39/605127239.db2.gz TUQSOXZPWIAFIS-UHFFFAOYSA-N -1 2 333.337 2.834 20 0 EFADLM Cc1nsc(C)c1C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1O ZINC001032287611 1254509409 /nfs/dbraw/zinc/50/94/09/1254509409.db2.gz LAIJZJODQQCNDT-KBPBESRZSA-N -1 2 343.452 2.564 20 0 EFADLM CCN(C(=O)c1ccccc1O)[C@@H]1CC[N@H+](Cc2nc(C)oc2C)C1 ZINC001033752535 1270023612 /nfs/dbraw/zinc/02/36/12/1270023612.db2.gz FIADDLZOVJKQAK-OAHLLOKOSA-N -1 2 343.427 2.734 20 0 EFADLM CCN(C)c1ncnc2c1CC[N@H+](Cc1cc(F)c(O)cc1F)CC2 ZINC001144651675 1279954384 /nfs/dbraw/zinc/95/43/84/1279954384.db2.gz YTAZXSYZMYMTQP-UHFFFAOYSA-N -1 2 348.397 2.517 20 0 EFADLM C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1ccc(-c2ccc(C=O)o2)cc1O ZINC000821483024 1288736099 /nfs/dbraw/zinc/73/60/99/1288736099.db2.gz WHTPFVHCHKKZGO-STQMWFEESA-N -1 2 342.395 2.629 20 0 EFADLM CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2cc(O)c(F)c(F)c2)C1 ZINC001232969574 1312821140 /nfs/dbraw/zinc/82/11/40/1312821140.db2.gz UBOSXRWYDAAQSV-CYBMUJFWSA-N -1 2 326.387 2.751 20 0 EFADLM CCOCCS(=O)(=O)[N-]c1cc(Cl)c(C)c(Cl)c1O ZINC001187286060 1291138157 /nfs/dbraw/zinc/13/81/57/1291138157.db2.gz DSRXCJRPEZKZJF-UHFFFAOYSA-N -1 2 328.217 2.786 20 0 EFADLM O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cc(F)nc(F)c2)c1 ZINC001187548242 1291189520 /nfs/dbraw/zinc/18/95/20/1291189520.db2.gz MYAIKIQOSRNLMP-UHFFFAOYSA-N -1 2 348.714 2.512 20 0 EFADLM Cc1cc(F)nc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC001188282057 1291364529 /nfs/dbraw/zinc/36/45/29/1291364529.db2.gz GEAWMFWDHOMYRV-UHFFFAOYSA-N -1 2 344.751 2.682 20 0 EFADLM O=S(=O)(CCc1ccc(Cl)cc1)[N-]c1ncc(F)cc1O ZINC001189075930 1291574217 /nfs/dbraw/zinc/57/42/17/1291574217.db2.gz PBWJZTOQVZYUSV-UHFFFAOYSA-N -1 2 330.768 2.564 20 0 EFADLM CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000878549795 1291713207 /nfs/dbraw/zinc/71/32/07/1291713207.db2.gz KTQKPAAMGSXTSY-ZFWWWQNUSA-N -1 2 344.415 2.680 20 0 EFADLM O=S(=O)(Cc1noc2ccccc21)[N-]c1c(O)cc(F)cc1F ZINC001194093451 1293530077 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20 0 EFADLM Cc1nc(Nc2cc(Cl)c(O)cc2F)cc(N2CCOCC2)[nH+]1 ZINC001250020372 1315168101 /nfs/dbraw/zinc/16/81/01/1315168101.db2.gz SFPUAPDFWRFWNM-UHFFFAOYSA-N -1 2 338.770 2.863 20 0 EFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)cs2)ccc1O ZINC001260393699 1316336950 /nfs/dbraw/zinc/33/69/50/1316336950.db2.gz BUXBOEAIMOMDBP-UHFFFAOYSA-N -1 2 333.774 2.606 20 0 EFADLM C[NH+]1CCN(Cc2cccc(NC(=O)c3cccc(F)c3O)c2)CC1 ZINC001361677730 1336265481 /nfs/dbraw/zinc/26/54/81/1336265481.db2.gz KTZLVNSOCWDOEJ-UHFFFAOYSA-N -1 2 343.402 2.531 20 0 EFADLM CCCc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)c2n[nH]c(C)c2[O-])cc1 ZINC001379648817 1347226364 /nfs/dbraw/zinc/22/63/64/1347226364.db2.gz UCJJYNDFMROBGO-CYBMUJFWSA-N -1 2 344.459 2.627 20 0 EFADLM CC(=O)Nc1nnc(S[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735497569 1424474658 /nfs/dbraw/zinc/47/46/58/1424474658.db2.gz RJKWIBZLJSOHQS-ZETCQYMHSA-N -1 2 347.429 2.530 20 0 EFADLM CC(=O)Nc1nnc(S[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735497569 1424474664 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BFCZFZIIBLXAJU-UHFFFAOYSA-N -1 2 344.776 2.566 20 0 EFADLM O=C(COc1ccccc1F)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000358183345 475467931 /nfs/dbraw/zinc/46/79/31/475467931.db2.gz MLIJTOWSKDDJIF-UHFFFAOYSA-N -1 2 348.284 2.907 20 0 EFADLM COc1c(Cl)cccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000352698891 475542645 /nfs/dbraw/zinc/54/26/45/475542645.db2.gz XSRNWZOPDBOXKW-UHFFFAOYSA-N -1 2 347.801 2.909 20 0 EFADLM Cc1nc(C)c(NS(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)s1 ZINC000348451273 475674261 /nfs/dbraw/zinc/67/42/61/475674261.db2.gz DQKIJQGFGXAUPP-UHFFFAOYSA-N -1 2 340.426 2.876 20 0 EFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2O)cs1 ZINC000338217679 475683889 /nfs/dbraw/zinc/68/38/89/475683889.db2.gz VVZMCWWCYDLUJQ-UHFFFAOYSA-N -1 2 333.774 2.606 20 0 EFADLM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(C)cc1C ZINC000358491151 475721346 /nfs/dbraw/zinc/72/13/46/475721346.db2.gz GAENXAVTKPPPLZ-UHFFFAOYSA-N -1 2 341.410 2.873 20 0 EFADLM CCOc1cc(C[N@@H+](C)[C@@H](C)CS(=O)(=O)CC)cc(Cl)c1O ZINC000297869019 475910652 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CCc1ncc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2C)s1 ZINC000359093306 476181633 /nfs/dbraw/zinc/18/16/33/476181633.db2.gz XXACGVMOYNGYAI-UHFFFAOYSA-N -1 2 326.399 2.513 20 0 EFADLM CCc1ncc(S(=O)(=O)Nc2cccc(Cl)c2C(=O)[O-])s1 ZINC000359108088 476194865 /nfs/dbraw/zinc/19/48/65/476194865.db2.gz XQQOMHCANDOEMH-UHFFFAOYSA-N -1 2 346.817 2.858 20 0 EFADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000357203336 476288512 /nfs/dbraw/zinc/28/85/12/476288512.db2.gz NVRXYDDNTKWXDP-UHFFFAOYSA-N -1 2 331.271 2.603 20 0 EFADLM Cc1cc(NS(=O)(=O)c2cc(F)c(F)cc2F)ccc1C(=O)[O-] ZINC000357228105 476297397 /nfs/dbraw/zinc/29/73/97/476297397.db2.gz SAQBJCMKFQQGBN-UHFFFAOYSA-N -1 2 345.298 2.911 20 0 EFADLM O=c1cc(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)nc(C2CC2)[nH]1 ZINC000459313111 477835577 /nfs/dbraw/zinc/83/55/77/477835577.db2.gz OPRNYHRKDGBQRR-INIZCTEOSA-N -1 2 329.375 2.772 20 0 EFADLM CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(Br)cc1O ZINC000456372002 477892643 /nfs/dbraw/zinc/89/26/43/477892643.db2.gz HAODUKWCLDCYRR-LBPRGKRZSA-N -1 2 341.249 2.711 20 0 EFADLM CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(Br)cc1O ZINC000456372000 477893332 /nfs/dbraw/zinc/89/33/32/477893332.db2.gz HAODUKWCLDCYRR-GFCCVEGCSA-N -1 2 341.249 2.711 20 0 EFADLM CCC(=O)c1ccc(O)c([N-]S(=O)(=O)C[C@H](CC(C)C)OC)c1 ZINC000421169009 477993203 /nfs/dbraw/zinc/99/32/03/477993203.db2.gz ZTTYQZZYFKQMRD-ZDUSSCGKSA-N -1 2 343.445 2.788 20 0 EFADLM Cc1nc(C)c(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)s1 ZINC000489614243 478260814 /nfs/dbraw/zinc/26/08/14/478260814.db2.gz XSDGEGQRZOKXQQ-UHFFFAOYSA-N -1 2 346.817 2.912 20 0 EFADLM C[N@H+](CC(=O)Nc1nn[nH]n1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000571263284 478554226 /nfs/dbraw/zinc/55/42/26/478554226.db2.gz UYGCQPXMXYLHDS-OAHLLOKOSA-N -1 2 348.838 2.655 20 0 EFADLM C[N@@H+](CC(=O)Nc1nn[nH]n1)[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000571263284 478554231 /nfs/dbraw/zinc/55/42/31/478554231.db2.gz UYGCQPXMXYLHDS-OAHLLOKOSA-N -1 2 348.838 2.655 20 0 EFADLM Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)nn1[C@H](C)C1CC1 ZINC000542230560 478636197 /nfs/dbraw/zinc/63/61/97/478636197.db2.gz CFRXARMGIMEUKS-LLVKDONJSA-N -1 2 349.412 2.662 20 0 EFADLM Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)nn1[C@@H](C)C1CC1 ZINC000542230563 478636792 /nfs/dbraw/zinc/63/67/92/478636792.db2.gz CFRXARMGIMEUKS-NSHDSACASA-N -1 2 349.412 2.662 20 0 EFADLM C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(Cl)c2F)c2[nH+]ccn21 ZINC000582827065 478693712 /nfs/dbraw/zinc/69/37/12/478693712.db2.gz WMVMVDBTQNWDIL-WCBMZHEXSA-N -1 2 329.784 2.660 20 0 EFADLM CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(Br)c2O)C1 ZINC000574411041 479282175 /nfs/dbraw/zinc/28/21/75/479282175.db2.gz ZSKGIEVHVUMQQU-NSHDSACASA-N -1 2 341.249 2.709 20 0 EFADLM Cc1cc(S(=O)(=O)Nc2ccc([C@@H](C)CC(=O)[O-])cc2)sn1 ZINC000634791364 480527650 /nfs/dbraw/zinc/52/76/50/480527650.db2.gz WCDIYHWAVRCLOO-VIFPVBQESA-N -1 2 340.426 2.831 20 0 EFADLM Cc1cc(S(=O)(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)sn1 ZINC000634791181 480528525 /nfs/dbraw/zinc/52/85/25/480528525.db2.gz ODZQSFRPFVEHTL-VIFPVBQESA-N -1 2 340.426 2.516 20 0 EFADLM Fc1cc(F)cc(-c2nsc(N[C@H]3CC[N@H+](CC4CC4)C3)n2)c1 ZINC000645165517 480725789 /nfs/dbraw/zinc/72/57/89/480725789.db2.gz FRAXVPUIAFCRRX-AWEZNQCLSA-N -1 2 336.411 2.801 20 0 EFADLM O=C([O-])CC1(N=c2nc(-c3cc(F)cc(F)c3)[nH]s2)CCC1 ZINC000650776362 481334241 /nfs/dbraw/zinc/33/42/41/481334241.db2.gz WCQUJGSSUYKSLZ-UHFFFAOYSA-N -1 2 325.340 2.715 20 0 EFADLM O=C([O-])[C@@H]1CC[C@H](N=c2nc(-c3cc(F)cc(F)c3)[nH]s2)C1 ZINC000647458946 481838601 /nfs/dbraw/zinc/83/86/01/481838601.db2.gz DNFFLALZBLVKFZ-HQJQHLMTSA-N -1 2 325.340 2.570 20 0 EFADLM CCc1nc(CC(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cs1 ZINC000237032850 522250009 /nfs/dbraw/zinc/25/00/09/522250009.db2.gz LWLVAOVXBSAVJP-CYBMUJFWSA-N -1 2 346.452 2.998 20 0 EFADLM O=C([O-])Cc1ccc(NS(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000125313899 527638628 /nfs/dbraw/zinc/63/86/28/527638628.db2.gz HRUQHEDBZDLXKZ-UHFFFAOYSA-N -1 2 343.763 2.907 20 0 EFADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(C)(C)C)n[nH]1 ZINC000388823953 546159553 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COc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c(C)c1 ZINC000061566909 600023246 /nfs/dbraw/zinc/02/32/46/600023246.db2.gz OKPHTQOGJYWJGL-UHFFFAOYSA-N -1 2 327.383 2.564 20 0 EFADLM CC(C)n1nccc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000736541359 600053042 /nfs/dbraw/zinc/05/30/42/600053042.db2.gz ULKNFFIGAYRMMJ-UHFFFAOYSA-N -1 2 343.792 2.616 20 0 EFADLM Cc1nc(NS(=O)(=O)/C=C/c2ccc(C)cc2)sc1C(=O)[O-] ZINC000738583446 600054661 /nfs/dbraw/zinc/05/46/61/600054661.db2.gz OHOVLCWWBLGPBF-BQYQJAHWSA-N -1 2 338.410 2.871 20 0 EFADLM CCc1nc(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])sc1C ZINC000737283004 600055851 /nfs/dbraw/zinc/05/58/51/600055851.db2.gz SJVYQTVRUZHDSA-UHFFFAOYSA-N -1 2 344.389 2.652 20 0 EFADLM Cc1cc(NS(=O)(=O)c2cccc(Cl)c2F)c(C(=O)[O-])[nH]1 ZINC000163438978 600175988 /nfs/dbraw/zinc/17/59/88/600175988.db2.gz CGFINCFLCKQCQM-UHFFFAOYSA-N -1 2 332.740 2.615 20 0 EFADLM Cc1cccc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n1 ZINC000738736719 600179262 /nfs/dbraw/zinc/17/92/62/600179262.db2.gz STRXRJLEYIVZMC-UHFFFAOYSA-N -1 2 326.761 2.542 20 0 EFADLM Cc1cc(NS(=O)(=O)c2cc(C#N)ccc2C)sc1C(=O)[O-] ZINC000387404937 600492622 /nfs/dbraw/zinc/49/26/22/600492622.db2.gz KFEXAKVLKIOCBS-UHFFFAOYSA-N -1 2 336.394 2.736 20 0 EFADLM Cc1cccc(S(=O)(=O)Nc2cc(C(C)(C)C)n[nH]2)c1C(=O)[O-] ZINC000738744647 600576926 /nfs/dbraw/zinc/57/69/26/600576926.db2.gz MPKURGVHALIKAP-UHFFFAOYSA-N -1 2 337.401 2.515 20 0 EFADLM Cc1oc(C)c(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)c1C(=O)[O-] ZINC000320309655 600784204 /nfs/dbraw/zinc/78/42/04/600784204.db2.gz CNZHPXIAXVDYES-UHFFFAOYSA-N -1 2 349.286 2.813 20 0 EFADLM Cc1ccsc1S(=O)(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000738329387 600890664 /nfs/dbraw/zinc/89/06/64/600890664.db2.gz ASCYOJFTGQRUGW-UHFFFAOYSA-N -1 2 326.399 2.972 20 0 EFADLM CC(C)n1cc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC000736532784 600891874 /nfs/dbraw/zinc/89/18/74/600891874.db2.gz OAVSBGRRGFHPML-UHFFFAOYSA-N -1 2 343.792 2.616 20 0 EFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(-c3ccccc3)cn2)c[nH]1 ZINC000833303991 600982009 /nfs/dbraw/zinc/98/20/09/600982009.db2.gz FISVDHILTFSSAH-UHFFFAOYSA-N -1 2 343.364 2.576 20 0 EFADLM O=C([O-])c1ccnc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000391345127 600982585 /nfs/dbraw/zinc/98/25/85/600982585.db2.gz PYVZNYGCXCLBGI-UHFFFAOYSA-N -1 2 346.286 2.599 20 0 EFADLM CCc1cnc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])s1 ZINC000830298826 600985546 /nfs/dbraw/zinc/98/55/46/600985546.db2.gz FZIGNRWBDWTQRE-UHFFFAOYSA-N -1 2 346.817 2.858 20 0 EFADLM Cc1oc(C)c(S(=O)(=O)Nc2ccc3ccn(C)c3c2)c1C(=O)[O-] ZINC000738969724 601047442 /nfs/dbraw/zinc/04/74/42/601047442.db2.gz PQQPQACORUBBIA-UHFFFAOYSA-N -1 2 348.380 2.887 20 0 EFADLM Cc1cccc(O)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000776748076 601251583 /nfs/dbraw/zinc/25/15/83/601251583.db2.gz VRPMQYZYMZKFPL-UHFFFAOYSA-N -1 2 341.772 2.853 20 0 EFADLM Cc1nc(NS(=O)(=O)/C=C\c2ccc(F)cc2)sc1C(=O)[O-] ZINC000833002690 601358907 /nfs/dbraw/zinc/35/89/07/601358907.db2.gz FAPNDKXJUPTUBX-SREVYHEPSA-N -1 2 342.373 2.701 20 0 EFADLM 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Cc1cc(N(C)CCc2cccc(-c3nn[nH]n3)c2)nc(C2CC2)[nH+]1 ZINC001591997031 1093951596 /nfs/dbraw/zinc/95/15/96/1093951596.db2.gz XEBDZMJMEYIPFR-UHFFFAOYSA-N -1 2 335.415 2.521 20 0 EFADLM Cc1cc(NCCc2ccc(-c3nn[nH]n3)cc2)nc(C2CCC2)[nH+]1 ZINC001592051636 1093966699 /nfs/dbraw/zinc/96/66/99/1093966699.db2.gz ZGXMJYBQEPXIBU-UHFFFAOYSA-N -1 2 335.415 2.887 20 0 EFADLM CCC(CC)(NC(=O)c1cc(Br)c(F)cc1O)C(=O)[O-] ZINC001595098039 1094453833 /nfs/dbraw/zinc/45/38/33/1094453833.db2.gz DYEQGQITYVRQTQ-UHFFFAOYSA-N -1 2 348.168 2.667 20 0 EFADLM Cc1cc(C)cc([C@H](NCc2nc(=O)c3sccc3[nH]2)C(=O)[O-])c1 ZINC001600170616 1094836603 /nfs/dbraw/zinc/83/66/03/1094836603.db2.gz YDXBVIHDAZGWMA-AWEZNQCLSA-N -1 2 343.408 2.929 20 0 EFADLM Cc1cc2[nH]ncc2cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001600307182 1094959798 /nfs/dbraw/zinc/95/97/98/1094959798.db2.gz MOUQXFOCPOLZGY-UHFFFAOYSA-N -1 2 345.380 2.679 20 0 EFADLM Cc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)co2)cc1C(=O)[O-] ZINC001600483670 1095099870 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EFADLM O=C([O-])c1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)n2c1CCCC2 ZINC001602255488 1096141642 /nfs/dbraw/zinc/14/16/42/1096141642.db2.gz JDOYEEHVGQNLKN-ZDUSSCGKSA-N -1 2 328.416 2.625 20 0 EFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cncc3c2CCCC3)cs1 ZINC001602297453 1096164313 /nfs/dbraw/zinc/16/43/13/1096164313.db2.gz IQNXHWPAJBRWPU-UHFFFAOYSA-N -1 2 338.410 2.521 20 0 EFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(C3CCC3)cn2)cs1 ZINC001602297391 1096164785 /nfs/dbraw/zinc/16/47/85/1096164785.db2.gz VLJSVHQKOODVIC-UHFFFAOYSA-N -1 2 338.410 2.910 20 0 EFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc3c(cn2)CCCC3)cs1 ZINC001602297329 1096165058 /nfs/dbraw/zinc/16/50/58/1096165058.db2.gz CZDLUNQHVLXTEF-UHFFFAOYSA-N -1 2 338.410 2.521 20 0 EFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2csc3ccccc23)cn1 ZINC001602402024 1096222836 /nfs/dbraw/zinc/22/28/36/1096222836.db2.gz DRZXMECUEAKSTN-UHFFFAOYSA-N -1 2 334.378 2.795 20 0 EFADLM O=C([O-])c1cccc(S(=O)(=O)Nc2nccc3sccc32)c1 ZINC001602452783 1096252176 /nfs/dbraw/zinc/25/21/76/1096252176.db2.gz SNWCCQHMPVHETO-UHFFFAOYSA-N -1 2 334.378 2.795 20 0 EFADLM O=C([O-])c1ccoc1S(=O)(=O)N[C@@H](c1ccccc1)C(F)(F)F ZINC001602489260 1096270513 /nfs/dbraw/zinc/27/05/13/1096270513.db2.gz YAGUCXDJVXHKMC-JTQLQIEISA-N -1 2 349.286 2.560 20 0 EFADLM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2cccc(Cl)c2O)C1 ZINC001602626420 1096331934 /nfs/dbraw/zinc/33/19/34/1096331934.db2.gz BLGLGXOSCVSLDZ-GOSISDBHSA-N -1 2 345.782 2.914 20 0 EFADLM CC(=O)c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1F ZINC001603107666 1096444087 /nfs/dbraw/zinc/44/40/87/1096444087.db2.gz PHMCFXBDFPWPDD-UHFFFAOYSA-N -1 2 343.357 2.589 20 0 EFADLM C[C@H](C(=O)[O-])c1ccc(NS(=O)(=O)c2ccnn2C2CCC2)cc1 ZINC001603212515 1096474540 /nfs/dbraw/zinc/47/45/40/1096474540.db2.gz BUZONJGNVGQUNW-NSHDSACASA-N -1 2 349.412 2.597 20 0 EFADLM CCC(CC)S(=O)(=O)C(C)=C(O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001605019133 1097003582 /nfs/dbraw/zinc/00/35/82/1097003582.db2.gz UCRLCGCJQYXXQH-SNVBAGLBSA-N -1 2 329.418 2.504 20 0 EFADLM c1ccc([C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccn2)c2ccccn2)cc1 ZINC001607126804 1097528941 /nfs/dbraw/zinc/52/89/41/1097528941.db2.gz PBXPLLPDMFLDOF-GOSISDBHSA-N -1 2 343.394 2.536 20 0 EFADLM COc1cc(Cl)ccc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC001607167603 1097549748 /nfs/dbraw/zinc/54/97/48/1097549748.db2.gz RWJVZDQLXGJKCC-UHFFFAOYSA-N -1 2 347.801 2.909 20 0 EFADLM COc1cccc(C)c1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC001607315639 1097597690 /nfs/dbraw/zinc/59/76/90/1097597690.db2.gz MCAHEWGMFUAMHL-UHFFFAOYSA-N -1 2 327.383 2.564 20 0 EFADLM Cc1cc(C(=O)[O-])oc1C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC001607603633 1097673447 /nfs/dbraw/zinc/67/34/47/1097673447.db2.gz UGFQIGKYSVQKSA-UHFFFAOYSA-N -1 2 348.265 2.602 20 0 EFADLM Cc1nc(NS(=O)(=O)Cc2ccc(C)cc2F)sc1C(=O)[O-] ZINC001607786128 1097732618 /nfs/dbraw/zinc/73/26/18/1097732618.db2.gz PDESHKJGFJRNNQ-UHFFFAOYSA-N -1 2 344.389 2.539 20 0 EFADLM Cc1cscc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001607934620 1097781686 /nfs/dbraw/zinc/78/16/86/1097781686.db2.gz LQDYEDXRAYMXTA-UHFFFAOYSA-N -1 2 333.337 2.834 20 0 EFADLM Cc1n[nH]c(Br)c1C(=O)OC1CCC(CC(=O)[O-])CC1 ZINC001607934538 1097781739 /nfs/dbraw/zinc/78/17/39/1097781739.db2.gz GSFKYGYPIGNMHA-UHFFFAOYSA-N -1 2 345.193 2.671 20 0 EFADLM O=C([O-])[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)C(F)C(F)(F)F ZINC001608531879 1097942454 /nfs/dbraw/zinc/94/24/54/1097942454.db2.gz BJIGVGAPRXFKFL-DRZSPHRISA-N -1 2 347.308 2.966 20 0 EFADLM O=C([O-])[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)[C@H](F)C(F)(F)F ZINC001608531879 1097942460 /nfs/dbraw/zinc/94/24/60/1097942460.db2.gz BJIGVGAPRXFKFL-DRZSPHRISA-N -1 2 347.308 2.966 20 0 EFADLM O=C([O-])C[C@H](NC(=O)C(F)C(F)(F)F)c1ccc(Cl)cc1 ZINC001608774532 1098018025 /nfs/dbraw/zinc/01/80/25/1098018025.db2.gz CTFNSJJTPYCVPC-WPRPVWTQSA-N -1 2 327.661 2.872 20 0 EFADLM O=C([O-])C[C@H](NC(=O)[C@H](F)C(F)(F)F)c1ccc(Cl)cc1 ZINC001608774532 1098018028 /nfs/dbraw/zinc/01/80/28/1098018028.db2.gz CTFNSJJTPYCVPC-WPRPVWTQSA-N -1 2 327.661 2.872 20 0 EFADLM O=C([O-])c1ccc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c(F)c1 ZINC001608876495 1098054056 /nfs/dbraw/zinc/05/40/56/1098054056.db2.gz UTXXXXLYYIOQIH-UHFFFAOYSA-N -1 2 344.277 2.700 20 0 EFADLM C[C@](CNC(=O)c1cccc(Cl)c1O)(C(=O)[O-])c1ccccc1 ZINC001609745816 1098444632 /nfs/dbraw/zinc/44/46/32/1098444632.db2.gz BZAJULPRIMMOKN-QGZVFWFLSA-N -1 2 333.771 2.818 20 0 EFADLM C[C@](NC(=O)c1cc(F)c(O)c(F)c1)(C(=O)[O-])c1ccc(F)cc1 ZINC001609770233 1098451934 /nfs/dbraw/zinc/45/19/34/1098451934.db2.gz RCOZZZOUWPULRB-MRXNPFEDSA-N -1 2 339.269 2.539 20 0 EFADLM CC[C@@](NC(=O)c1cc(F)c(O)c(F)c1)(C(=O)[O-])c1ccccc1 ZINC001609928740 1098496876 /nfs/dbraw/zinc/49/68/76/1098496876.db2.gz GLTKKYMUDRNDKT-KRWDZBQOSA-N -1 2 335.306 2.790 20 0 EFADLM CCc1nc(C)c(NS(=O)(=O)c2cc(F)ccc2C(=O)[O-])s1 ZINC001610074048 1098540208 /nfs/dbraw/zinc/54/02/08/1098540208.db2.gz LGXOSIXUWYBUNQ-UHFFFAOYSA-N -1 2 344.389 2.652 20 0 EFADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc2n[nH]cc2cc1C ZINC001610078321 1098541412 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CSc1ccc([C@H](CC(=O)[O-])NC(=O)[C@@H](F)C(F)(F)F)cc1 ZINC001610385850 1098648753 /nfs/dbraw/zinc/64/87/53/1098648753.db2.gz OBIQVJKZFWMZAO-GXSJLCMTSA-N -1 2 339.310 2.941 20 0 EFADLM Cc1cc(NS(=O)(=O)c2c(C)ccc3cccnc32)c(C(=O)[O-])[nH]1 ZINC001610475231 1098698904 /nfs/dbraw/zinc/69/89/04/1098698904.db2.gz AWSVGAVQSPENJX-UHFFFAOYSA-N -1 2 345.380 2.679 20 0 EFADLM Cc1[nH]c(C(=O)[C@H](C)S(=O)(=O)c2ccc(C)cc2)c(C)c1C(=O)[O-] ZINC001610511308 1098722974 /nfs/dbraw/zinc/72/29/74/1098722974.db2.gz LVCJPLLZOKVGFS-LBPRGKRZSA-N -1 2 349.408 2.683 20 0 EFADLM Cc1ccc(S(=O)(=O)Nc2c(C)ccc(C(=O)[O-])c2O)c(F)c1 ZINC001610513063 1098724697 /nfs/dbraw/zinc/72/46/97/1098724697.db2.gz FKIQZTVQVXMSIX-UHFFFAOYSA-N -1 2 339.344 2.647 20 0 EFADLM O=C([O-])c1ccc(N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)[nH+]c1 ZINC001610832658 1098922207 /nfs/dbraw/zinc/92/22/07/1098922207.db2.gz JCNCWGIOPIFXMF-UHFFFAOYSA-N -1 2 341.367 2.559 20 0 EFADLM O=C([O-])c1coc(S(=O)(=O)NC2(C(F)(F)F)CCCCC2)c1 ZINC001610868263 1098945525 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CCOc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000045774650 204333974 /nfs/dbraw/zinc/33/39/74/204333974.db2.gz HZGPBBHZNAVHEV-UHFFFAOYSA-N -1 2 341.410 2.954 20 0 EFADLM CC(=O)c1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000045774388 204334270 /nfs/dbraw/zinc/33/42/70/204334270.db2.gz RNFNEYKWFADRSU-UHFFFAOYSA-N -1 2 339.394 2.758 20 0 EFADLM CC(C)c1ccc(N2CC(=O)C(C(=O)N(C)CCCC(=O)[O-])=N2)cc1 ZINC000427730580 247387054 /nfs/dbraw/zinc/38/70/54/247387054.db2.gz GUTPFTLEPNORNS-UHFFFAOYSA-N -1 2 345.399 2.638 20 0 EFADLM CCOc1cccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)c1 ZINC000095352933 218286899 /nfs/dbraw/zinc/28/68/99/218286899.db2.gz UGGTVUKAODDCBE-UHFFFAOYSA-N -1 2 341.410 2.954 20 0 EFADLM O=C([O-])c1csc(S(=O)(=O)Nc2cccc(OCCF)c2)c1 ZINC000347630719 142247694 /nfs/dbraw/zinc/24/76/94/142247694.db2.gz NBJVIAQQSJOCGP-UHFFFAOYSA-N -1 2 345.373 2.595 20 0 EFADLM CC[C@@H](C)n1nc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1C ZINC000342775837 145189744 /nfs/dbraw/zinc/18/97/44/145189744.db2.gz 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O=C([O-])c1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)c(F)c1 ZINC000325557694 971226388 /nfs/dbraw/zinc/22/63/88/971226388.db2.gz LPTWSPLTNDQYFC-UHFFFAOYSA-N -1 2 346.339 2.873 20 0 EFADLM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(F)cc(Cl)c2O)C1 ZINC001589603437 949209032 /nfs/dbraw/zinc/20/90/32/949209032.db2.gz NBNMQGKUMKZURN-OAHLLOKOSA-N -1 2 329.755 2.902 20 0 EFADLM CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])s2)cc1C ZINC000386433744 972053378 /nfs/dbraw/zinc/05/33/78/972053378.db2.gz RITLQEVGGWAGGM-UHFFFAOYSA-N -1 2 341.410 2.954 20 0 EFADLM Cc1nc(Cl)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000389628282 972235725 /nfs/dbraw/zinc/23/57/25/972235725.db2.gz DPCGRFRRPFFXJF-UHFFFAOYSA-N -1 2 344.751 2.682 20 0 EFADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2ncccc21 ZINC000390894304 972307011 /nfs/dbraw/zinc/30/70/11/972307011.db2.gz BZCYFXNZSLFQKM-UHFFFAOYSA-N -1 2 332.337 2.635 20 0 EFADLM O=C([O-])[C@H]1C[C@H](NC(=O)c2c(O)cc(F)cc2F)c2ccccc21 ZINC001605743447 972387837 /nfs/dbraw/zinc/38/78/37/972387837.db2.gz LJDRYOJYBLLHBV-AAEUAGOBSA-N -1 2 333.290 2.713 20 0 EFADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)n2)ccc1Cl ZINC000149707767 959024531 /nfs/dbraw/zinc/02/45/31/959024531.db2.gz AHHHCUHKUVPQGH-UHFFFAOYSA-N -1 2 347.179 2.887 20 0 EFADLM CCc1nc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)sc1C ZINC000316719777 964046883 /nfs/dbraw/zinc/04/68/83/964046883.db2.gz LPTLUEVOHCJGFZ-UHFFFAOYSA-N -1 2 344.389 2.652 20 0 EFADLM O=C([O-])c1c(NC(=O)c2cccc(Cl)c2O)nc2ccccn21 ZINC001605877431 972654642 /nfs/dbraw/zinc/65/46/42/972654642.db2.gz MESMAMADLNNOOM-UHFFFAOYSA-N -1 2 331.715 2.644 20 0 EFADLM CCCN(C(=O)c1cc(Br)c(F)cc1O)[C@@H](C)C(=O)[O-] ZINC001595824620 982705666 /nfs/dbraw/zinc/70/56/66/982705666.db2.gz NYRLKEOZPVBPNL-ZETCQYMHSA-N -1 2 348.168 2.619 20 0 EFADLM CCC[N@H+](CC(=O)[O-])Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001595858651 982789113 /nfs/dbraw/zinc/78/91/13/982789113.db2.gz GSXCQWGVSQISCJ-UHFFFAOYSA-N -1 2 334.397 2.805 20 0 EFADLM CCC[N@@H+](CC(=O)[O-])Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001595858651 982789119 /nfs/dbraw/zinc/78/91/19/982789119.db2.gz GSXCQWGVSQISCJ-UHFFFAOYSA-N -1 2 334.397 2.805 20 0 EFADLM CCC[N@H+](CC(=O)[O-])Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001595858717 982790296 /nfs/dbraw/zinc/79/02/96/982790296.db2.gz PIWYLQNWOPXLTC-UHFFFAOYSA-N -1 2 334.397 2.805 20 0 EFADLM CCC[N@@H+](CC(=O)[O-])Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001595858717 982790300 /nfs/dbraw/zinc/79/03/00/982790300.db2.gz PIWYLQNWOPXLTC-UHFFFAOYSA-N -1 2 334.397 2.805 20 0 EFADLM CC(=C(O)c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)C(C)(C)C(C)C ZINC001599948919 985575457 /nfs/dbraw/zinc/57/54/57/985575457.db2.gz TZBYALHYZSKDBP-LLVKDONJSA-N -1 2 343.445 2.750 20 0 EFADLM CCOc1ccc(S(=O)(=O)Nc2scc(C)c2C(=O)[O-])cc1 ZINC001597137647 986877771 /nfs/dbraw/zinc/87/77/71/986877771.db2.gz OKACJLZTYCPZSE-UHFFFAOYSA-N -1 2 341.410 2.954 20 0 EFADLM CCC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1 ZINC001594720926 987201943 /nfs/dbraw/zinc/20/19/43/987201943.db2.gz FJBXKINFUVCZNS-UHFFFAOYSA-N -1 2 337.353 2.680 20 0 EFADLM CC(C)(C)c1coc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC001590526561 990135528 /nfs/dbraw/zinc/13/55/28/990135528.db2.gz CJYDHBJRCNFEOE-UHFFFAOYSA-N -1 2 342.348 2.610 20 0 EFADLM COc1ccc(S(=O)(=O)Nc2scc(C)c2C(=O)[O-])c(F)c1 ZINC001599618018 994043768 /nfs/dbraw/zinc/04/37/68/994043768.db2.gz SRFNKWIXSXWAOG-UHFFFAOYSA-N -1 2 345.373 2.703 20 0 EFADLM COc1ccc(C)cc1S(=O)(=O)Nc1cc(C(=O)[O-])sc1C ZINC001599535829 997742930 /nfs/dbraw/zinc/74/29/30/997742930.db2.gz NZSBHRXVVNMFSK-UHFFFAOYSA-N -1 2 341.410 2.873 20 0 EFADLM COc1cc(S(=O)(=O)Nc2cc(C)c(C(=O)[O-])s2)ccc1F ZINC001599460302 998261852 /nfs/dbraw/zinc/26/18/52/998261852.db2.gz ZAGFUOITMRAFAQ-UHFFFAOYSA-N -1 2 345.373 2.703 20 0 EFADLM C[C@H]([NH2+]Cc1cc(-c2nn[nH]n2)ccn1)c1nc(C(C)(C)C)cs1 ZINC001575381047 1088427917 /nfs/dbraw/zinc/42/79/17/1088427917.db2.gz ZEOXVCBCHOZLKV-JTQLQIEISA-N -1 2 343.460 2.867 20 0 EFADLM CC(C)N(C)c1ccc(C[N@H+]2Cc3ccc(-c4nn[nH]n4)cc3C2)cn1 ZINC001589678692 1093124333 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20 0 EFADLM Cc1ccc(-c2cc(C(=O)O[C@@H]3C[C@H]4C[C@H](C(=O)[O-])C[C@H]43)[nH]n2)o1 ZINC001600312550 1094963235 /nfs/dbraw/zinc/96/32/35/1094963235.db2.gz GDJVSTYVZWEXIQ-JNIYBQFBSA-N -1 2 330.340 2.634 20 0 EFADLM Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(C(=O)[O-])nc2)c1 ZINC001600425516 1095055951 /nfs/dbraw/zinc/05/59/51/1095055951.db2.gz UYDJUCMLWKEDJO-UHFFFAOYSA-N -1 2 326.761 2.542 20 0 EFADLM Cc1nc(NS(=O)(=O)Cc2c(C)cccc2C)sc1C(=O)[O-] ZINC001600521726 1095131448 /nfs/dbraw/zinc/13/14/48/1095131448.db2.gz UGRNEEPZUOLCMR-UHFFFAOYSA-N -1 2 340.426 2.708 20 0 EFADLM Cc1cscc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001600669202 1095250949 /nfs/dbraw/zinc/25/09/49/1095250949.db2.gz YTZRUJWNICADER-UHFFFAOYSA-N -1 2 332.790 2.604 20 0 EFADLM Nc1c(NS(=O)(=O)c2cccc(Cl)c2F)cccc1C(=O)[O-] ZINC001601208473 1095553461 /nfs/dbraw/zinc/55/34/61/1095553461.db2.gz AWTZPDLHLJMENL-UHFFFAOYSA-N -1 2 344.751 2.560 20 0 EFADLM O=C([O-])[C@H](CF)NC(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC001601419305 1095666475 /nfs/dbraw/zinc/66/64/75/1095666475.db2.gz LTCBDKSLSLROHH-ZDUSSCGKSA-N -1 2 337.734 2.865 20 0 EFADLM O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc(Cl)c1O ZINC001601566012 1095734300 /nfs/dbraw/zinc/73/43/00/1095734300.db2.gz ONWGPNSNUVTDBG-ZDUSSCGKSA-N -1 2 337.734 2.610 20 0 EFADLM O=C([O-])[C@H]1Cc2ccccc2N(C(=O)c2cccc(Cl)c2O)C1 ZINC001601866291 1095943014 /nfs/dbraw/zinc/94/30/14/1095943014.db2.gz OIAKWOLTJWBAQE-NSHDSACASA-N -1 2 331.755 2.949 20 0 EFADLM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2cccc(Cl)n2)c1 ZINC001602264019 1096148598 /nfs/dbraw/zinc/14/85/98/1096148598.db2.gz DAMAIHPNZWHKHC-UHFFFAOYSA-N -1 2 347.179 2.887 20 0 EFADLM O=C([O-])c1cccc2c1CCN(C(=O)c1cc(F)c(O)c(F)c1)C2 ZINC001602456511 1096254404 /nfs/dbraw/zinc/25/44/04/1096254404.db2.gz YKFDLTTUNFRDHG-UHFFFAOYSA-N -1 2 333.290 2.567 20 0 EFADLM O=C([O-])c1cncc(S(=O)(=O)Nc2cccc3ccsc32)c1 ZINC001602543623 1096290698 /nfs/dbraw/zinc/29/06/98/1096290698.db2.gz NIBOOJYXHHRBCK-UHFFFAOYSA-N -1 2 334.378 2.795 20 0 EFADLM O=C([O-])c1sccc1S(=O)(=O)Nc1ccc(Cl)cc1O ZINC001602599052 1096314841 /nfs/dbraw/zinc/31/48/41/1096314841.db2.gz ZYVCMBWJQNZVOQ-UHFFFAOYSA-N -1 2 333.774 2.606 20 0 EFADLM O=C([O-])[C@]12CN(C(=O)c3cc(F)cc(Cl)c3O)C[C@H]1CCCC2 ZINC001602623042 1096330752 /nfs/dbraw/zinc/33/07/52/1096330752.db2.gz ULUQXWYMJCHSKC-JDNHERCYSA-N -1 2 341.766 2.902 20 0 EFADLM CC(C)(C)c1ccc(C[NH2+]Cc2nc(-c3nn[nH]n3)cs2)s1 ZINC001603117549 1096449114 /nfs/dbraw/zinc/44/91/14/1096449114.db2.gz UUPAQNAPJIXTKH-UHFFFAOYSA-N -1 2 334.474 2.972 20 0 EFADLM CC(C)C[C@@H]1COCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1Cl ZINC001603269997 1096489578 /nfs/dbraw/zinc/48/95/78/1096489578.db2.gz ILLBMJZPPVTFMP-CQSZACIVSA-N -1 2 335.839 2.767 20 0 EFADLM C[C@@H](c1cc(F)ccc1F)[N@H+](C)Cc1cccc(-c2nn[nH]n2)n1 ZINC001603725511 1096602694 /nfs/dbraw/zinc/60/26/94/1096602694.db2.gz KPPYXCADOWTEMY-JTQLQIEISA-N -1 2 330.342 2.733 20 0 EFADLM CC(C)c1sc(NS(=O)(=O)c2cccc(F)c2)nc1C(=O)[O-] ZINC001604032319 1096705835 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EFADLM O=C1CC(c2ccc(F)cc2)=NN1c1ccc(S(=O)(=O)[O-])cc1 ZINC001245917146 1314549241 /nfs/dbraw/zinc/54/92/41/1314549241.db2.gz GFTJPSXFPYVTDY-UHFFFAOYSA-N -1 2 334.328 2.631 20 0 EFADLM C[C@@H]1C[C@@H]([NH2+]CCCC[P@@](=O)([O-])O)CC[NH+]1Cc1ccccc1 ZINC001256530841 1315952297 /nfs/dbraw/zinc/95/22/97/1315952297.db2.gz PXGSTRYFZGXFAP-WBVHZDCISA-N -1 2 340.404 2.587 20 0 EFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccnc(F)c2)c(F)cc1Cl ZINC001259213371 1316221392 /nfs/dbraw/zinc/22/13/92/1316221392.db2.gz PGCBSCBRTFCHII-UHFFFAOYSA-N -1 2 348.714 2.512 20 0 EFADLM COc1cccnc1NS(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260868658 1316374726 /nfs/dbraw/zinc/37/47/26/1316374726.db2.gz DDLCOAOYNGIKNU-UHFFFAOYSA-N -1 2 349.195 2.903 20 0 EFADLM CCc1nccnc1NS(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260869473 1316374970 /nfs/dbraw/zinc/37/49/70/1316374970.db2.gz UBEIFITWDJCPIU-UHFFFAOYSA-N -1 2 348.211 2.852 20 0 EFADLM O=C([O-])c1ccccc1NS(=O)(=O)c1cnc(Cl)cc1Cl ZINC001355381818 1334762059 /nfs/dbraw/zinc/76/20/59/1334762059.db2.gz YVUOHLDEHZWBSN-UHFFFAOYSA-N -1 2 347.179 2.887 20 0 EFADLM CCCN(C(=O)c1[nH]nc(C)c1[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001400120268 1361754001 /nfs/dbraw/zinc/75/40/01/1361754001.db2.gz UXZTYHPYFSTQRB-INIZCTEOSA-N -1 2 342.443 2.550 20 0 EFADLM Cc1cccc(S(=O)(=O)Nc2ccccc2-c2nn[n-]n2)c1Cl ZINC000826303941 1441832638 /nfs/dbraw/zinc/83/26/38/1441832638.db2.gz NPTNZWNEJSPNCZ-UHFFFAOYSA-N -1 2 349.803 2.629 20 0 EFADLM C[N@H+](Cc1cscn1)[C@H]1CCCN(C(=O)c2ccccc2O)C1 ZINC001027308396 715375778 /nfs/dbraw/zinc/37/57/78/715375778.db2.gz LRHWHKLXBCBOIE-AWEZNQCLSA-N -1 2 331.441 2.585 20 0 EFADLM O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccns1)c1ccccc1O ZINC001024337113 717616645 /nfs/dbraw/zinc/61/66/45/717616645.db2.gz KJIFDFMGDFWAQV-CYBMUJFWSA-N -1 2 331.441 2.633 20 0 EFADLM Cc1cc(C(=O)Nc2ccc3ccccc3c2)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC000173596476 728630113 /nfs/dbraw/zinc/63/01/13/728630113.db2.gz ZLTLEYMZLAUINY-UHFFFAOYSA-N -1 2 346.346 2.738 20 0 EFADLM O=C([O-])CC[C@H]1C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2O)CO1 ZINC001595007100 951216093 /nfs/dbraw/zinc/21/60/93/951216093.db2.gz YKMXAXNTNDDSOL-CBAPKCEASA-N -1 2 348.182 2.907 20 0 EFADLM Cc1csc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC000021503073 957149809 /nfs/dbraw/zinc/14/98/09/957149809.db2.gz HLRPEFTZEQFBHD-UHFFFAOYSA-N -1 2 332.790 2.604 20 0 EFADLM COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])s2)cc1Cl ZINC000035426973 957211257 /nfs/dbraw/zinc/21/12/57/957211257.db2.gz VFTOPEDGKZVXJH-UHFFFAOYSA-N -1 2 347.801 2.909 20 0 EFADLM COc1cc(C)ccc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000037789781 957327373 /nfs/dbraw/zinc/32/73/73/957327373.db2.gz GKHFIEVBHOBPNB-UHFFFAOYSA-N -1 2 327.383 2.564 20 0 EFADLM CSc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000038058461 957350826 /nfs/dbraw/zinc/35/08/26/957350826.db2.gz QDBKXYDFIKBAEL-UHFFFAOYSA-N -1 2 329.424 2.969 20 0 EFADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)nc1 ZINC000041115349 957387517 /nfs/dbraw/zinc/38/75/17/957387517.db2.gz OCAONEYHJROKQE-UHFFFAOYSA-N -1 2 347.179 2.887 20 0 EFADLM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccsc1 ZINC000090866934 958117641 /nfs/dbraw/zinc/11/76/41/958117641.db2.gz RVBJWXZGDHETOF-UHFFFAOYSA-N -1 2 347.801 2.909 20 0 EFADLM O=C([O-])[C@@H]1C[C@H](NC(=O)c2c(O)cc(F)cc2F)c2ccccc21 ZINC001605743578 972387498 /nfs/dbraw/zinc/38/74/98/972387498.db2.gz LJDRYOJYBLLHBV-YPMHNXCESA-N -1 2 333.290 2.713 20 0 EFADLM O=C([O-])[C@H]1C[C@@H](NC(=O)c2c(O)cc(F)cc2F)c2ccccc21 ZINC001605743577 972387644 /nfs/dbraw/zinc/38/76/44/972387644.db2.gz LJDRYOJYBLLHBV-WCQYABFASA-N -1 2 333.290 2.713 20 0 EFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2)c(F)cc1Cl ZINC001259212794 960665008 /nfs/dbraw/zinc/66/50/08/960665008.db2.gz ZASQBFAVSNHMFW-UHFFFAOYSA-N -1 2 329.736 2.978 20 0 EFADLM COc1ccc(S(=O)(=O)Nc2cc(C)c(C(=O)[O-])s2)cc1F ZINC000314420578 963751104 /nfs/dbraw/zinc/75/11/04/963751104.db2.gz FGMZUCANPHQQAD-UHFFFAOYSA-N -1 2 345.373 2.703 20 0 EFADLM CCc1nc(NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)sc1C ZINC000314658643 963786404 /nfs/dbraw/zinc/78/64/04/963786404.db2.gz NQRNJIPBXKRENM-UHFFFAOYSA-N -1 2 340.426 2.654 20 0 EFADLM Cc1ccsc1S(=O)(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001607899753 970396981 /nfs/dbraw/zinc/39/69/81/970396981.db2.gz GZAFSSFNBDDEEL-UHFFFAOYSA-N -1 2 325.411 2.875 20 0 EFADLM O=C([O-])c1ccccc1C1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC001606517570 974011998 /nfs/dbraw/zinc/01/19/98/974011998.db2.gz RLAASJUDFQMIJB-GFCCVEGCSA-N -1 2 333.281 2.991 20 0 EFADLM O=C([O-])c1ccccc1C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC001606517570 974012004 /nfs/dbraw/zinc/01/20/04/974012004.db2.gz RLAASJUDFQMIJB-GFCCVEGCSA-N -1 2 333.281 2.991 20 0 EFADLM CC(C)c1cnc(NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)s1 ZINC001592002392 976650535 /nfs/dbraw/zinc/65/05/35/976650535.db2.gz FHTQXGNALFBKGZ-UHFFFAOYSA-N -1 2 340.426 2.907 20 0 EFADLM CC(C)c1sc(NS(=O)(=O)Cc2ccccc2)nc1C(=O)[O-] ZINC001592117530 976921892 /nfs/dbraw/zinc/92/18/92/976921892.db2.gz RPZMRVOHONKEPN-UHFFFAOYSA-N -1 2 340.426 2.907 20 0 EFADLM COc1ccc(S(=O)(=O)Nc2cc(C)c(C(=O)[O-])s2)c(C)c1 ZINC000738107585 978478371 /nfs/dbraw/zinc/47/83/71/978478371.db2.gz JZSPWHKYFGQFHO-UHFFFAOYSA-N -1 2 341.410 2.873 20 0 EFADLM CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccccc2C(=O)[O-])c1C ZINC001595028301 979151330 /nfs/dbraw/zinc/15/13/30/979151330.db2.gz LCKBRHMJKYYRNB-SNVBAGLBSA-N -1 2 337.401 2.662 20 0 EFADLM CC[C@H](CS(=O)(=O)Nc1cccc2cc(C(=O)[O-])sc21)OC ZINC001595203772 979968406 /nfs/dbraw/zinc/96/84/06/979968406.db2.gz VYCNEXRJQZNUKY-SNVBAGLBSA-N -1 2 343.426 2.766 20 0 EFADLM CCCc1csc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)n1 ZINC001596074614 983388843 /nfs/dbraw/zinc/38/88/43/983388843.db2.gz DRCAQGHOMNASQP-UHFFFAOYSA-N -1 2 332.428 2.656 20 0 EFADLM CCCc1cnc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)s1 ZINC001596082714 983402486 /nfs/dbraw/zinc/40/24/86/983402486.db2.gz YNFMYVYIXRECFN-UHFFFAOYSA-N -1 2 332.428 2.656 20 0 EFADLM CSc1ccc(NS(=O)(=O)c2c(C)csc2C(=O)[O-])cn1 ZINC001599820925 988512224 /nfs/dbraw/zinc/51/22/24/988512224.db2.gz PBFBJOQJBRTHEA-UHFFFAOYSA-N -1 2 344.439 2.672 20 0 EFADLM CCc1nc(C)c(NS(=O)(=O)c2c(C)csc2C(=O)[O-])s1 ZINC001597660936 988728741 /nfs/dbraw/zinc/72/87/41/988728741.db2.gz HINOLMQXJGGIBD-UHFFFAOYSA-N -1 2 346.455 2.883 20 0 EFADLM C[C@@H]1C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2O)O[C@H]1C(=O)[O-] ZINC001599875892 989418547 /nfs/dbraw/zinc/41/85/47/989418547.db2.gz QZMKDUHCDXPWHY-UZNWJXFASA-N -1 2 334.155 2.516 20 0 EFADLM CN(C(=O)c1cccc(Cl)c1O)c1ccc(OCC(=O)[O-])cc1 ZINC001598090903 990433008 /nfs/dbraw/zinc/43/30/08/990433008.db2.gz AIVDAHMBKGGSGJ-UHFFFAOYSA-N -1 2 335.743 2.786 20 0 EFADLM COc1ccc(S(=O)(=O)Nc2sc(C)cc2C(=O)[O-])c(C)c1 ZINC001599617962 994042711 /nfs/dbraw/zinc/04/27/11/994042711.db2.gz QEZGMGVOTUPZEE-UHFFFAOYSA-N -1 2 341.410 2.873 20 0 EFADLM CC(C)(C)c1nc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)cs1 ZINC001589241522 1093054723 /nfs/dbraw/zinc/05/47/23/1093054723.db2.gz KLKVPNMRCNYSPW-UHFFFAOYSA-N -1 2 334.474 2.972 20 0 EFADLM CCCCC[NH+](CCCCC)Cn1cccc(-c2nn[nH]n2)c1=O ZINC001590596293 1093506576 /nfs/dbraw/zinc/50/65/76/1093506576.db2.gz HTGAPIQXJSZFTA-UHFFFAOYSA-N -1 2 332.452 2.668 20 0 EFADLM CCn1c2ccccc2[nH+]c1NCc1ccc(-c2nn[nH]n2)cc1F ZINC001590948241 1093639475 /nfs/dbraw/zinc/63/94/75/1093639475.db2.gz MAAAIAGWCAGEGP-UHFFFAOYSA-N -1 2 337.362 2.988 20 0 EFADLM Cc1cc(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)oc1C(=O)[O-] ZINC001600100977 1094771258 /nfs/dbraw/zinc/77/12/58/1094771258.db2.gz XENMWGNFJGPXJZ-UHFFFAOYSA-N -1 2 348.265 2.602 20 0 EFADLM Cc1cc(S(=O)(=O)Nc2nc(C(C)C)c(C(=O)[O-])s2)c(C)o1 ZINC001600301538 1094956107 /nfs/dbraw/zinc/95/61/07/1094956107.db2.gz OLFAMUSEUHZNQJ-UHFFFAOYSA-N -1 2 344.414 2.975 20 0 EFADLM Cc1ccc(Cl)c(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)c1 ZINC001600424410 1095054636 /nfs/dbraw/zinc/05/46/36/1095054636.db2.gz BCFVGNRFZRQEKX-UHFFFAOYSA-N -1 2 346.817 2.533 20 0 EFADLM Cc1ccc(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)c(C(=O)[O-])c1 ZINC001600483610 1095100635 /nfs/dbraw/zinc/10/06/35/1095100635.db2.gz BYHSVLJTHWHULI-NSHDSACASA-N -1 2 349.412 2.662 20 0 EFADLM Cc1nc(NS(=O)(=O)c2cccc(C(F)F)c2)sc1C(=O)[O-] ZINC001600717248 1095285872 /nfs/dbraw/zinc/28/58/72/1095285872.db2.gz DHGSCISJTOJIFC-UHFFFAOYSA-N -1 2 348.352 2.888 20 0 EFADLM O=C([O-])c1cc(Cl)cc(NC(=O)c2cc(F)cc(F)c2O)c1O ZINC001601588648 1095747865 /nfs/dbraw/zinc/74/78/65/1095747865.db2.gz VHMBZMADWLOIQG-UHFFFAOYSA-N -1 2 343.669 2.980 20 0 EFADLM O=C([O-])[C@@H](NC(=O)C(F)C(F)(F)F)c1ccc(Cl)c(F)c1 ZINC001601664876 1095793848 /nfs/dbraw/zinc/79/38/48/1095793848.db2.gz RACBJRWUOUUMFT-YUMQZZPRSA-N -1 2 331.624 2.621 20 0 EFADLM O=C([O-])[C@@H](NC(=O)[C@H](F)C(F)(F)F)c1ccc(Cl)c(F)c1 ZINC001601664876 1095793861 /nfs/dbraw/zinc/79/38/61/1095793861.db2.gz RACBJRWUOUUMFT-YUMQZZPRSA-N -1 2 331.624 2.621 20 0 EFADLM O=C([O-])COCCNC(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC001602080754 1096050000 /nfs/dbraw/zinc/05/00/00/1096050000.db2.gz LRNXLGMTCWTCJA-UHFFFAOYSA-N -1 2 349.770 2.544 20 0 EFADLM O=C([O-])Cc1ccccc1CNC(=O)c1cc(F)cc(Cl)c1O ZINC001602146768 1096090627 /nfs/dbraw/zinc/09/06/27/1096090627.db2.gz YLNDAECLHXSKFD-UHFFFAOYSA-N -1 2 337.734 2.742 20 0 EFADLM O=C([O-])c1ccc(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)o1 ZINC001602326398 1096180453 /nfs/dbraw/zinc/18/04/53/1096180453.db2.gz YJPVAKMSDBJNAF-UHFFFAOYSA-N -1 2 332.703 2.669 20 0 EFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nc(C3CCC3)cs2)s1 ZINC001602402570 1096223035 /nfs/dbraw/zinc/22/30/35/1096223035.db2.gz NWLNWWDVRZPNNH-UHFFFAOYSA-N -1 2 344.439 2.971 20 0 EFADLM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)n2)c1 ZINC001602452575 1096252528 /nfs/dbraw/zinc/25/25/28/1096252528.db2.gz KVBRDAJMWHUZJS-UHFFFAOYSA-N -1 2 347.179 2.887 20 0 EFADLM O=C([O-])c1coc(S(=O)(=O)N[C@@H](c2ccccc2)C(F)(F)F)c1 ZINC001602557438 1096296600 /nfs/dbraw/zinc/29/66/00/1096296600.db2.gz WVCLQCRRAAWJJF-NSHDSACASA-N -1 2 349.286 2.560 20 0 EFADLM O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1cc(F)cc(Cl)c1O)CC2 ZINC001602623167 1096331011 /nfs/dbraw/zinc/33/10/11/1096331011.db2.gz YAMKMEFDVQRMSO-ABAIWWIYSA-N -1 2 327.739 2.654 20 0 EFADLM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2cc(F)c(O)c(F)c2)C1 ZINC001602622594 1096331155 /nfs/dbraw/zinc/33/11/55/1096331155.db2.gz BMTWXURDWWPDTK-GOSISDBHSA-N -1 2 347.317 2.539 20 0 EFADLM C[C@H](C(=O)[O-])c1cccc(NS(=O)(=O)c2ccnn2C2CCC2)c1 ZINC001603221096 1096476846 /nfs/dbraw/zinc/47/68/46/1096476846.db2.gz HOBIVLXYHOXXJY-NSHDSACASA-N -1 2 349.412 2.597 20 0 EFADLM C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC001603726212 1096603466 /nfs/dbraw/zinc/60/34/66/1096603466.db2.gz BRDCLADPTCGJHB-IINYFYTJSA-N -1 2 341.337 2.581 20 0 EFADLM C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCO[C@@](C)(C(F)(F)F)C1 ZINC001603726212 1096603469 /nfs/dbraw/zinc/60/34/69/1096603469.db2.gz BRDCLADPTCGJHB-IINYFYTJSA-N -1 2 341.337 2.581 20 0 EFADLM C[C@H](NC(=O)c1cccc(Cl)c1O)c1ncc(C(=O)[O-])s1 ZINC001604314806 1096803702 /nfs/dbraw/zinc/80/37/02/1096803702.db2.gz NEASEHCZQLKVEW-LURJTMIESA-N -1 2 326.761 2.691 20 0 EFADLM CC[C@@H](C(=O)[O-])[N@H+](C)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001604883978 1096975185 /nfs/dbraw/zinc/97/51/85/1096975185.db2.gz IWRFYKADQHEJNB-ZDUSSCGKSA-N -1 2 334.397 2.803 20 0 EFADLM CC[C@@H](C(=O)[O-])[N@@H+](C)Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001604883978 1096975191 /nfs/dbraw/zinc/97/51/91/1096975191.db2.gz IWRFYKADQHEJNB-ZDUSSCGKSA-N -1 2 334.397 2.803 20 0 EFADLM CC[C@](CNC(=O)c1c(O)cc(F)cc1F)(C(=O)[O-])c1ccccc1 ZINC001605036051 1097007163 /nfs/dbraw/zinc/00/71/63/1097007163.db2.gz ZQRZSAZFVFGWTH-GOSISDBHSA-N -1 2 349.333 2.833 20 0 EFADLM COc1ccc([C@H]([NH2+]Cc2nc(-c3nn[nH]n3)cs2)C(C)C)cc1 ZINC001605263445 1097072908 /nfs/dbraw/zinc/07/29/08/1097072908.db2.gz PBJTWSLRPWEVOQ-OAHLLOKOSA-N -1 2 344.444 2.819 20 0 EFADLM COc1ccc([C@H](NCc2nc(-c3nn[nH]n3)cs2)C(C)C)cc1 ZINC001605263445 1097072914 /nfs/dbraw/zinc/07/29/14/1097072914.db2.gz PBJTWSLRPWEVOQ-OAHLLOKOSA-N -1 2 344.444 2.819 20 0 EFADLM CCCCCS(=O)(=O)C(C)=C(O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001605272354 1097075807 /nfs/dbraw/zinc/07/58/07/1097075807.db2.gz XJRDNVHCJYJHLK-NSHDSACASA-N -1 2 329.418 2.506 20 0 EFADLM COc1ccc(C[N@H+](C)Cc2c(F)cccc2F)cc1-c1nn[nH]n1 ZINC001605274535 1097076992 /nfs/dbraw/zinc/07/69/92/1097076992.db2.gz LTHSKVUJMQEUIW-UHFFFAOYSA-N -1 2 345.353 2.786 20 0 EFADLM COc1ccc(C[N@@H+](C)Cc2c(F)cccc2F)cc1-c1nn[nH]n1 ZINC001605274535 1097076996 /nfs/dbraw/zinc/07/69/96/1097076996.db2.gz LTHSKVUJMQEUIW-UHFFFAOYSA-N -1 2 345.353 2.786 20 0 EFADLM CCc1nc(NC(=O)c2cc(F)cc(F)c2O)sc1C(=O)[O-] ZINC001605855081 1097253482 /nfs/dbraw/zinc/25/34/82/1097253482.db2.gz PJRGWRIWMCKFMQ-UHFFFAOYSA-N -1 2 328.296 2.640 20 0 EFADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1nc(C(C)C)cs1 ZINC001605885814 1097264889 /nfs/dbraw/zinc/26/48/89/1097264889.db2.gz XMHHFAWPPYENNM-UHFFFAOYSA-N -1 2 344.414 2.921 20 0 EFADLM c1cc(-c2n[nH]cc2C[N@@H+]2Cc3cccc(-c4nn[nH]n4)c3C2)cs1 ZINC001607124044 1097527302 /nfs/dbraw/zinc/52/73/02/1097527302.db2.gz UOKKWXWFPSWGNT-UHFFFAOYSA-N -1 2 349.423 2.834 20 0 EFADLM COc1ccc([C@H](NC(=O)c2cccc(Cl)c2O)C(=O)[O-])cc1 ZINC001607231182 1097567790 /nfs/dbraw/zinc/56/77/90/1097567790.db2.gz VFGJWUXRCQCOGZ-ZDUSSCGKSA-N -1 2 335.743 2.610 20 0 EFADLM COc1ccccc1S(=O)(=O)Nc1scc(C(=O)[O-])c1C ZINC001607349031 1097610604 /nfs/dbraw/zinc/61/06/04/1097610604.db2.gz ZVLMGLMISWWHNI-UHFFFAOYSA-N -1 2 327.383 2.564 20 0 EFADLM Cc1[nH]c(C(=O)CS(=O)(=O)c2cc(C)ccc2C)c(C)c1C(=O)[O-] ZINC001607764885 1097724975 /nfs/dbraw/zinc/72/49/75/1097724975.db2.gz NJMSXRVTODWTLY-UHFFFAOYSA-N -1 2 349.408 2.603 20 0 EFADLM Cc1cccc2c(=O)c(C(=O)N[C@H](CC(=O)[O-])C3CCCC3)c[nH]c12 ZINC001607864826 1097758398 /nfs/dbraw/zinc/75/83/98/1097758398.db2.gz ULJAXORCBJTTGD-OAHLLOKOSA-N -1 2 342.395 2.600 20 0 EFADLM Cc1ccccc1[C@@H](C(=O)[O-])N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC001607871561 1097762028 /nfs/dbraw/zinc/76/20/28/1097762028.db2.gz DPIPFRHRCPEEFP-AWEZNQCLSA-N -1 2 343.408 2.963 20 0 EFADLM Cc1ccsc1S(=O)(=O)Nc1nc(C2CC2)c(C(=O)[O-])s1 ZINC001607899704 1097771808 /nfs/dbraw/zinc/77/18/08/1097771808.db2.gz DKYPCWFOOZCDFQ-UHFFFAOYSA-N -1 2 344.439 2.889 20 0 EFADLM O=C([O-])c1cc(NC(=O)c2ccc3[nH]nnc3c2)cc(Cl)c1F ZINC001608500648 1097932798 /nfs/dbraw/zinc/93/27/98/1097932798.db2.gz IYMBGAQIWNBSIU-UHFFFAOYSA-N -1 2 334.694 2.701 20 0 EFADLM O=C([O-])[C@H](NC(=O)C(F)C(F)(F)F)c1ccc2ccccc2c1 ZINC001608543266 1097946377 /nfs/dbraw/zinc/94/63/77/1097946377.db2.gz KJTMGUGXQAHUQR-VXGBXAGGSA-N -1 2 329.249 2.982 20 0 EFADLM O=C([O-])[C@H](NC(=O)[C@@H](F)C(F)(F)F)c1ccc2ccccc2c1 ZINC001608543266 1097946382 /nfs/dbraw/zinc/94/63/82/1097946382.db2.gz KJTMGUGXQAHUQR-VXGBXAGGSA-N -1 2 329.249 2.982 20 0 EFADLM O=C([O-])[C@@H](NC(=O)C(F)C(F)(F)F)c1cccc2ccccc21 ZINC001608544204 1097946882 /nfs/dbraw/zinc/94/68/82/1097946882.db2.gz VXKXCJVOBYRKCS-RYUDHWBXSA-N -1 2 329.249 2.982 20 0 EFADLM O=C([O-])[C@@H](NC(=O)[C@H](F)C(F)(F)F)c1cccc2ccccc21 ZINC001608544204 1097946888 /nfs/dbraw/zinc/94/68/88/1097946888.db2.gz VXKXCJVOBYRKCS-RYUDHWBXSA-N -1 2 329.249 2.982 20 0 EFADLM O=C([O-])C1(CS(=O)(=O)Nc2cccc(Cl)c2O)CCCCC1 ZINC001608574820 1097959614 /nfs/dbraw/zinc/95/96/14/1097959614.db2.gz SRZQAHYPLUWDKS-UHFFFAOYSA-N -1 2 347.820 2.822 20 0 EFADLM O=C([O-])[C@H]1CN(C(=O)c2cccc(Cl)c2O)c2ccccc2O1 ZINC001608644242 1097975186 /nfs/dbraw/zinc/97/51/86/1097975186.db2.gz KQGFSNNZNSLSKS-CYBMUJFWSA-N -1 2 333.727 2.538 20 0 EFADLM O=C([O-])[C@@H]1CN(C(=O)c2cccc(Cl)c2O)c2ccccc2O1 ZINC001608644243 1097975440 /nfs/dbraw/zinc/97/54/40/1097975440.db2.gz KQGFSNNZNSLSKS-ZDUSSCGKSA-N -1 2 333.727 2.538 20 0 EFADLM O=C([O-])C[C@H]1CN(C(=O)c2cc(F)cc(F)c2O)c2ccccc21 ZINC001608700042 1097994137 /nfs/dbraw/zinc/99/41/37/1097994137.db2.gz VIFVBYLOMIQSCX-VIFPVBQESA-N -1 2 333.290 2.889 20 0 EFADLM O=C([O-])CCOc1ccc(NC(=O)c2cc(F)c(O)c(F)c2)cc1 ZINC001608731151 1098002748 /nfs/dbraw/zinc/00/27/48/1098002748.db2.gz AJVUPBRYQYOMEB-UHFFFAOYSA-N -1 2 337.278 2.776 20 0 EFADLM O=C([O-])[C@@H]1CN(C(=O)c2cccc(Cl)c2O)C[C@@H]1c1ccccc1 ZINC001608808139 1098029238 /nfs/dbraw/zinc/02/92/38/1098029238.db2.gz BFAIFKWLAPQGLB-ZIAGYGMSSA-N -1 2 345.782 2.986 20 0 EFADLM O=C([O-])c1ccc(C(=O)Nc2nccc(Br)c2O)s1 ZINC001608876364 1098053647 /nfs/dbraw/zinc/05/36/47/1098053647.db2.gz NBHARYVVPMWURC-UHFFFAOYSA-N -1 2 343.158 2.562 20 0 EFADLM CC(C)c1nc(NS(=O)(=O)c2ccccc2F)sc1C(=O)[O-] ZINC001609721897 1098437165 /nfs/dbraw/zinc/43/71/65/1098437165.db2.gz SKFBLKHVRWCEFW-UHFFFAOYSA-N -1 2 344.389 2.905 20 0 EFADLM CC(C)c1ncsc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001609722077 1098437748 /nfs/dbraw/zinc/43/77/48/1098437748.db2.gz DAVOORKPHHBKBD-UHFFFAOYSA-N -1 2 344.389 2.905 20 0 EFADLM CCCc1cnc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)s1 ZINC001609986045 1098514847 /nfs/dbraw/zinc/51/48/47/1098514847.db2.gz UYZPEOVWJWWRSS-UHFFFAOYSA-N -1 2 340.426 2.524 20 0 EFADLM COc1cc(C)c(S(=O)(=O)Nc2sccc2C(=O)[O-])cc1C ZINC001610293101 1098605849 /nfs/dbraw/zinc/60/58/49/1098605849.db2.gz IQVWNMFQVHZLCI-UHFFFAOYSA-N -1 2 341.410 2.873 20 0 EFADLM Cc1[nH]c(C(=O)CS(=O)(=O)[C@H](C)c2ccccc2)c(C)c1C(=O)[O-] ZINC001610399594 1098656056 /nfs/dbraw/zinc/65/60/56/1098656056.db2.gz MTGUKRKNMOGIEG-GFCCVEGCSA-N -1 2 349.408 2.688 20 0 EFADLM Cc1[nH]c(C(O)=CS(=O)(=O)[C@H](C)c2ccccc2)c(C)c1C(=O)[O-] ZINC001610399594 1098656062 /nfs/dbraw/zinc/65/60/62/1098656062.db2.gz MTGUKRKNMOGIEG-GFCCVEGCSA-N -1 2 349.408 2.688 20 0 EFADLM Cc1oc(C)c(S(=O)(=O)Nc2nc(C(C)(C)C)co2)c1C(=O)[O-] ZINC001610580946 1098765525 /nfs/dbraw/zinc/76/55/25/1098765525.db2.gz XJINNHWXSFAUFP-UHFFFAOYSA-N -1 2 342.373 2.681 20 0 EFADLM O=C([O-])c1cc(Cl)cc(NS(=O)(=O)c2ccsc2)c1O ZINC001610811238 1098905268 /nfs/dbraw/zinc/90/52/68/1098905268.db2.gz WXQXHGOKGAOWRX-UHFFFAOYSA-N -1 2 333.774 2.606 20 0 EFADLM O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1scnc1C1CC1 ZINC001610832969 1098921903 /nfs/dbraw/zinc/92/19/03/1098921903.db2.gz RMEZZAWQIBVCHZ-UHFFFAOYSA-N -1 2 342.373 2.659 20 0 EFADLM CC(C)(C)c1ccc(-c2ccc(C(=O)Nn3c(=O)[n-][nH]c3=O)o2)cc1 ZINC001628800712 1100136496 /nfs/dbraw/zinc/13/64/96/1100136496.db2.gz KJFNFXIHEPLXNJ-UHFFFAOYSA-N -1 2 342.355 2.631 20 0 EFADLM Cc1cc(C(=O)Nc2ccccc2C(F)F)[n-]c2nc(=O)[nH]c(=O)c1-2 ZINC001643313139 1101289633 /nfs/dbraw/zinc/28/96/33/1101289633.db2.gz GJEKMTJQEGWOSM-UHFFFAOYSA-N -1 2 346.293 2.934 20 0 EFADLM Cc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1F ZINC000179239840 1105070680 /nfs/dbraw/zinc/07/06/80/1105070680.db2.gz BVKGADOHQDEMQV-UHFFFAOYSA-N -1 2 327.308 2.772 20 0 EFADLM O=C(NC[C@@H]1CC[N@H+]1CCc1c(F)cccc1F)c1ccccc1O ZINC001038074970 1118788890 /nfs/dbraw/zinc/78/88/90/1118788890.db2.gz RKGYJCFQTUWWEW-ZDUSSCGKSA-N -1 2 346.377 2.717 20 0 EFADLM COC(=O)c1sc(NC(=O)c2ccc3[nH]nnc3c2)nc1C(C)C ZINC000412393023 243300330 /nfs/dbraw/zinc/30/03/30/243300330.db2.gz OHEOPTWLFMQRFD-UHFFFAOYSA-N -1 2 345.384 2.577 20 0 EFADLM COC(=O)c1sc2[nH]c(C[N@@H+]3CC[C@H](C)[C@@H](C)C3)nc(=O)c2c1C ZINC000253556532 244023558 /nfs/dbraw/zinc/02/35/58/244023558.db2.gz JIHYOEHJBMIVQZ-UWVGGRQHSA-N -1 2 349.456 2.970 20 0 EFADLM Cc1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1C(=O)[O-] ZINC000078814096 217126764 /nfs/dbraw/zinc/12/67/64/217126764.db2.gz GNURHSKJBNSQCV-UHFFFAOYSA-N -1 2 327.308 2.772 20 0 EFADLM Cc1[nH+]c[nH]c1CNC(=O)c1ccc(C(=O)c2cccc(O)c2)cc1 ZINC000444113164 250259330 /nfs/dbraw/zinc/25/93/30/250259330.db2.gz ZOWLNJOWAYUETP-UHFFFAOYSA-N -1 2 335.363 2.585 20 0 EFADLM CC[C@@H](C)n1nc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1C ZINC000342778807 145190823 /nfs/dbraw/zinc/19/08/23/145190823.db2.gz KGECBNYHFQASFO-SNVBAGLBSA-N -1 2 337.401 2.662 20 0 EFADLM CC(C)Oc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccoc1 ZINC000349028521 146038841 /nfs/dbraw/zinc/03/88/41/146038841.db2.gz ATILBYJGDBXYSC-UHFFFAOYSA-N -1 2 325.342 2.566 20 0 EFADLM Cc1ccsc1S(=O)(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC000349083247 146049753 /nfs/dbraw/zinc/04/97/53/146049753.db2.gz VYVLKSHTMOORDP-UHFFFAOYSA-N -1 2 341.410 2.711 20 0 EFADLM Cc1cc(F)c(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1F ZINC000350728642 146083736 /nfs/dbraw/zinc/08/37/36/146083736.db2.gz DNNFGNYBSIYRMV-UHFFFAOYSA-N -1 2 327.308 2.772 20 0 EFADLM CCc1ncc(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])s1 ZINC000359099205 147994108 /nfs/dbraw/zinc/99/41/08/147994108.db2.gz FBAQNMASQJCKGC-UHFFFAOYSA-N -1 2 326.399 2.513 20 0 EFADLM CCOC(=O)[C@H]1C[N@@H+]([C@H](C)c2nc(C)cc(=O)[nH]2)Cc2ccccc21 ZINC000368459811 150122519 /nfs/dbraw/zinc/12/25/19/150122519.db2.gz WFKNKVPFKHCXLR-CJNGLKHVSA-N -1 2 341.411 2.714 20 0 EFADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000187734416 265114862 /nfs/dbraw/zinc/11/48/62/265114862.db2.gz IGXSWSIAAJQTOW-NSHDSACASA-N -1 2 349.412 2.662 20 0 EFADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000187734436 265115011 /nfs/dbraw/zinc/11/50/11/265115011.db2.gz IGXSWSIAAJQTOW-LLVKDONJSA-N -1 2 349.412 2.662 20 0 EFADLM O=S(=O)(Nc1cc([C@@H]2CCCOC2)[nH]n1)c1ccc(Cl)cc1 ZINC000280419788 273326152 /nfs/dbraw/zinc/32/61/52/273326152.db2.gz ZFNRIEFGKSOGEV-SNVBAGLBSA-N -1 2 341.820 2.758 20 0 EFADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccn(C(C)C)n2)c1C ZINC000280875526 273376592 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Cc1nc(C)c(S(=O)(=O)Nc2c(C)ccc(F)c2C(=O)[O-])s1 ZINC000547554611 318018757 /nfs/dbraw/zinc/01/87/57/318018757.db2.gz RGBDTUCSHBQCBV-UHFFFAOYSA-N -1 2 344.389 2.706 20 0 EFADLM Cc1c2cccc(Cl)c2sc1C[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000567634427 319191149 /nfs/dbraw/zinc/19/11/49/319191149.db2.gz BLQNCOPOWIYONM-LBPRGKRZSA-N -1 2 349.843 2.599 20 0 EFADLM O=C(NCc1cccc(Br)c1)c1cccc2[nH]nnc21 ZINC000183512292 323338715 /nfs/dbraw/zinc/33/87/15/323338715.db2.gz HPGDSLDKTDHAEV-UHFFFAOYSA-N -1 2 331.173 2.650 20 0 EFADLM O=C([O-])c1csc(S(=O)(=O)Nc2cccc(-c3cc[nH]n3)c2)c1 ZINC000032086239 472414070 /nfs/dbraw/zinc/41/40/70/472414070.db2.gz MZJVPZHYTDLXKE-UHFFFAOYSA-N -1 2 349.393 2.637 20 0 EFADLM C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2cccc3n[nH]nc32)CC1 ZINC000119261143 472540629 /nfs/dbraw/zinc/54/06/29/472540629.db2.gz HFEGBSZEZPQZMV-LBPRGKRZSA-N -1 2 341.440 2.538 20 0 EFADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc3c[nH]nc3c2)c1 ZINC000156260702 472684990 /nfs/dbraw/zinc/68/49/90/472684990.db2.gz 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O=C([O-])c1ccc(S(=O)(=O)Nc2cc(F)cc(F)c2)c(F)c1 ZINC000316740765 474881957 /nfs/dbraw/zinc/88/19/57/474881957.db2.gz OXDCWVGGUFJEPA-UHFFFAOYSA-N -1 2 331.271 2.603 20 0 EFADLM Cc1ncc(S(=O)(=O)Nc2c(C)ccc(Cl)c2C(=O)[O-])s1 ZINC000339077431 474905680 /nfs/dbraw/zinc/90/56/80/474905680.db2.gz MJTOSKANGYBEQX-UHFFFAOYSA-N -1 2 346.817 2.912 20 0 EFADLM Oc1c(-c2nc([C@@H]3C[N@@H+](C4CC4)CCO3)no2)ccc2c1CCCC2 ZINC000273929026 475123317 /nfs/dbraw/zinc/12/33/17/475123317.db2.gz RCZJMANMFUTGNF-INIZCTEOSA-N -1 2 341.411 2.857 20 0 EFADLM O=C(NCC1CC[NH+](Cc2cccc(Cl)n2)CC1)C(F)(F)F ZINC000281258570 475141000 /nfs/dbraw/zinc/14/10/00/475141000.db2.gz HHDXIDBHIHXALS-UHFFFAOYSA-N -1 2 335.757 2.626 20 0 EFADLM O=S(=O)(Nc1cc([C@H]2CCCOC2)n[nH]1)c1ccc(C2CC2)cc1 ZINC000296143947 475208083 /nfs/dbraw/zinc/20/80/83/475208083.db2.gz ZZPDTWNALGMABC-AWEZNQCLSA-N -1 2 347.440 2.982 20 0 EFADLM CCc1oncc1NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000337859989 475384986 /nfs/dbraw/zinc/38/49/86/475384986.db2.gz MAYSTJISAGPMLN-UHFFFAOYSA-N -1 2 344.776 2.698 20 0 EFADLM O=C([O-])c1sc(-c2ccccc2)cc1NS(=O)(=O)c1cn[nH]c1 ZINC000352596585 475447541 /nfs/dbraw/zinc/44/75/41/475447541.db2.gz MDPIKVMDHUFDFC-UHFFFAOYSA-N -1 2 349.393 2.637 20 0 EFADLM Cc1cc(NS(=O)(=O)c2cccc(F)c2F)ccc1C(=O)[O-] ZINC000342974729 475668648 /nfs/dbraw/zinc/66/86/48/475668648.db2.gz YKGFISLEPXGQFS-UHFFFAOYSA-N -1 2 327.308 2.772 20 0 EFADLM COc1ccsc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000348445103 475670377 /nfs/dbraw/zinc/67/03/77/475670377.db2.gz QCSVCVCPNCDUES-UHFFFAOYSA-N -1 2 327.383 2.564 20 0 EFADLM COc1ccsc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000348448246 475670791 /nfs/dbraw/zinc/67/07/91/475670791.db2.gz LRDSDRLKWPEHLY-UHFFFAOYSA-N -1 2 347.801 2.909 20 0 EFADLM CCOc1cc(C[N@H+]2CCOC[C@@H]2CCOC)cc(Cl)c1O ZINC000297472805 475771525 /nfs/dbraw/zinc/77/15/25/475771525.db2.gz RILATDACXOUEQU-ZDUSSCGKSA-N -1 2 329.824 2.682 20 0 EFADLM CCS(=O)(=O)c1cccc(C[NH2+]Cc2c(F)ccc(O)c2F)c1 ZINC000353319097 475866146 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O=C(N=c1nc(-c2ccccc2)[nH]s1)c1cc(F)c([O-])c(F)c1 ZINC000436530693 477506119 /nfs/dbraw/zinc/50/61/19/477506119.db2.gz ODLVRXABZLTDQS-UHFFFAOYSA-N -1 2 333.319 2.863 20 0 EFADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000436892509 477627082 /nfs/dbraw/zinc/62/70/82/477627082.db2.gz KCGYUJUMGWHGRA-UHFFFAOYSA-N -1 2 327.745 2.545 20 0 EFADLM O=c1cc(C[NH+]2CCN(c3ccccc3F)CC2)nc(C2CC2)[nH]1 ZINC000459313131 477834943 /nfs/dbraw/zinc/83/49/43/477834943.db2.gz OSEYWLAUAXPPNH-UHFFFAOYSA-N -1 2 328.391 2.521 20 0 EFADLM COC(=O)[C@H](C)[N@H+](Cc1cc(=O)[nH]c(-c2ccccc2)n1)C1CCC1 ZINC000459427014 477900933 /nfs/dbraw/zinc/90/09/33/477900933.db2.gz UTGRDRRETGXDKY-ZDUSSCGKSA-N -1 2 341.411 2.765 20 0 EFADLM CC[C@@H](C)[N@@H+](CC(=O)OC)Cc1cc(=O)[nH]c(-c2ccccc2)n1 ZINC000459439502 477907482 /nfs/dbraw/zinc/90/74/82/477907482.db2.gz JEUYIOYCLVMMJL-CYBMUJFWSA-N -1 2 329.400 2.623 20 0 EFADLM Cc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)nn1C(C)C ZINC000421172254 477996628 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Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(Cc3nnc(C(C)C)[nH]3)CC2)n1 ZINC000639716775 481454137 /nfs/dbraw/zinc/45/41/37/481454137.db2.gz SBXCHLSTDCEJSW-ZDUSSCGKSA-N -1 2 344.463 2.748 20 0 EFADLM O=C([O-])c1ccc(N2CCC(c3ccccc3C(=O)[O-])CC2)[nH+]c1 ZINC000647456355 481836250 /nfs/dbraw/zinc/83/62/50/481836250.db2.gz KSCJOYPUBWMBFV-UHFFFAOYSA-N -1 2 326.352 2.862 20 0 EFADLM O=c1[nH]nc([C@H]2CCC[N@H+](CCc3nsc4ccccc34)C2)o1 ZINC000660463514 481973502 /nfs/dbraw/zinc/97/35/02/481973502.db2.gz DOOYHDNMZNYEMV-NSHDSACASA-N -1 2 330.413 2.807 20 0 EFADLM O=C([O-])CC1(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)CCOCC1 ZINC000663038917 482043433 /nfs/dbraw/zinc/04/34/33/482043433.db2.gz HFGGKCNBBGODPI-UHFFFAOYSA-N -1 2 348.182 2.909 20 0 EFADLM CCc1ccc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)s1 ZINC000087844873 524016419 /nfs/dbraw/zinc/01/64/19/524016419.db2.gz HMAMDHJNVUZSPM-UHFFFAOYSA-N -1 2 325.411 2.738 20 0 EFADLM Cc1ccc(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)[O-])s1 ZINC000061564216 525594097 /nfs/dbraw/zinc/59/40/97/525594097.db2.gz ZQKUAISQDPYRCM-UHFFFAOYSA-N -1 2 333.337 2.834 20 0 EFADLM Cc1ncc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])s1 ZINC000230696729 527305826 /nfs/dbraw/zinc/30/58/26/527305826.db2.gz LGGFBOHZIXSSLH-UHFFFAOYSA-N -1 2 332.790 2.604 20 0 EFADLM CCc1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)c(C(=O)[O-])c1 ZINC000356729858 536190439 /nfs/dbraw/zinc/19/04/39/536190439.db2.gz MYHGWUBGWDNPBN-UHFFFAOYSA-N -1 2 337.401 2.525 20 0 EFADLM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cn2)c1 ZINC000351639877 546042996 /nfs/dbraw/zinc/04/29/96/546042996.db2.gz RLCPBLMIQFUPAC-UHFFFAOYSA-N -1 2 346.286 2.599 20 0 EFADLM Cc1oc(C[N@H+](C)[C@H]2CCN(Cc3ccccc3)C2)cc1C(=O)[O-] ZINC000383484484 546156475 /nfs/dbraw/zinc/15/64/75/546156475.db2.gz BHAVXMOWQHAVSB-INIZCTEOSA-N -1 2 328.412 2.993 20 0 EFADLM C[C@@H](NC(=O)c1cc(F)c(O)c(F)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655575989 546489831 /nfs/dbraw/zinc/48/98/31/546489831.db2.gz NBYGECZHGQECIB-FKTZTGRPSA-N -1 2 327.327 2.536 20 0 EFADLM Cn1ncc2c1nc(C[N@@H+]1CCC[C@H]1/C=C\c1ccccc1)[nH]c2=O ZINC000679546028 549145121 /nfs/dbraw/zinc/14/51/21/549145121.db2.gz RYBADRXKJYASNM-KVPUOBJLSA-N -1 2 335.411 2.747 20 0 EFADLM CCc1noc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000754758776 575484218 /nfs/dbraw/zinc/48/42/18/575484218.db2.gz CESHDOTZEPESFI-UHFFFAOYSA-N -1 2 344.776 2.698 20 0 EFADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)c(O)c1 ZINC000770632462 581119142 /nfs/dbraw/zinc/11/91/42/581119142.db2.gz FQDKMEWOCDQYMX-UHFFFAOYSA-N -1 2 339.344 2.647 20 0 EFADLM O=C([O-])Cc1ccccc1NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000819626259 597316111 /nfs/dbraw/zinc/31/61/11/597316111.db2.gz MYULWBGENDBFQA-UHFFFAOYSA-N -1 2 345.298 2.532 20 0 EFADLM O=C([O-])Nc1cccc(NS(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000740041804 599886255 /nfs/dbraw/zinc/88/62/55/599886255.db2.gz VBNJGADYFWGRII-UHFFFAOYSA-N -1 2 346.286 2.995 20 0 EFADLM Cc1ccc(-c2cc(C(=O)Oc3cccc(CC(=O)[O-])c3)[nH]n2)o1 ZINC000738488050 600027389 /nfs/dbraw/zinc/02/73/89/600027389.db2.gz FSXDAYLXWXVELI-UHFFFAOYSA-N -1 2 326.308 2.824 20 0 EFADLM O=C([O-])c1cccc(S(=O)(=O)Nc2ccnn2C2CCCCC2)c1 ZINC000738688844 600054228 /nfs/dbraw/zinc/05/42/28/600054228.db2.gz MUJSNCYJYHRQGV-UHFFFAOYSA-N -1 2 349.412 2.887 20 0 EFADLM Cc1nc(NS(=O)(=O)c2cccc(Cl)c2)sc1C(=O)[O-] ZINC000738364778 600054607 /nfs/dbraw/zinc/05/46/07/600054607.db2.gz WPERLBWLIUUJAG-UHFFFAOYSA-N -1 2 332.790 2.604 20 0 EFADLM Cc1oc(C)c(S(=O)(=O)Nc2nc(C(C)C)cs2)c1C(=O)[O-] ZINC000315364257 600054853 /nfs/dbraw/zinc/05/48/53/600054853.db2.gz RAABWNJKFPDCFR-UHFFFAOYSA-N -1 2 344.414 2.975 20 0 EFADLM CCc1nc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)sc1C ZINC000048445622 600055522 /nfs/dbraw/zinc/05/55/22/600055522.db2.gz WTDUKIJUWIVHQN-UHFFFAOYSA-N -1 2 332.428 2.574 20 0 EFADLM CCc1nc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])sc1C ZINC000737283016 600055914 /nfs/dbraw/zinc/05/59/14/600055914.db2.gz SYXSBFTWEHGSAN-UHFFFAOYSA-N -1 2 340.426 2.821 20 0 EFADLM O=C([O-])c1sc2ccccc2c1S(=O)(=O)Nc1cccnc1 ZINC000387026282 600101832 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CC(C)c1cnc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)s1 ZINC000827139032 600983828 /nfs/dbraw/zinc/98/38/28/600983828.db2.gz CPJNNYOTKALMMK-UHFFFAOYSA-N -1 2 344.389 2.905 20 0 EFADLM CCc1csc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)n1 ZINC000830299504 601359820 /nfs/dbraw/zinc/35/98/20/601359820.db2.gz RTJSXNSZCGMIEY-UHFFFAOYSA-N -1 2 340.426 2.821 20 0 EFADLM Cc1oc(CN(C)C(=O)c2cc(F)c(O)c(F)c2)cc1C(=O)[O-] ZINC000833025494 601386434 /nfs/dbraw/zinc/38/64/34/601386434.db2.gz KFKHGCMZCPYPNW-UHFFFAOYSA-N -1 2 325.267 2.542 20 0 EFADLM CSc1ccncc1NS(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000832790782 601577596 /nfs/dbraw/zinc/57/75/96/601577596.db2.gz TVUHFEHMUAMXRQ-UHFFFAOYSA-N -1 2 338.410 2.611 20 0 EFADLM Cc1ccc(Cl)cc1S(=O)(=O)Nc1csnc1C(=O)[O-] ZINC000832935951 601602831 /nfs/dbraw/zinc/60/28/31/601602831.db2.gz RSBBNHISLVNLHF-UHFFFAOYSA-N -1 2 332.790 2.604 20 0 EFADLM Cc1ccc(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC000316382906 601771851 /nfs/dbraw/zinc/77/18/51/601771851.db2.gz PACNWAFDFNRTHF-UHFFFAOYSA-N -1 2 340.426 2.660 20 0 EFADLM CCc1cccc(C)c1NS(=O)(=O)c1csnc1C(=O)[O-] ZINC000830265769 601830462 /nfs/dbraw/zinc/83/04/62/601830462.db2.gz ORVJOGILXNOXJV-UHFFFAOYSA-N -1 2 326.399 2.513 20 0 EFADLM O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc2ccccc2n1 ZINC000833294516 601847595 /nfs/dbraw/zinc/84/75/95/601847595.db2.gz IKTUNNNIZSHQIJ-UHFFFAOYSA-N -1 2 346.339 2.873 20 0 EFADLM COc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc1C ZINC000831966865 602115944 /nfs/dbraw/zinc/11/59/44/602115944.db2.gz JUQKRPFGANMSOS-UHFFFAOYSA-N -1 2 341.410 2.873 20 0 EFADLM O=C([O-])c1csc(NS(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000833344023 602117108 /nfs/dbraw/zinc/11/71/08/602117108.db2.gz XOAJITMGRZAXDC-UHFFFAOYSA-N -1 2 349.336 2.849 20 0 EFADLM CC(C)c1cccc(S(=O)(=O)Nc2csnc2C(=O)[O-])c1 ZINC000827134379 602154977 /nfs/dbraw/zinc/15/49/77/602154977.db2.gz VUUVCILUUZVNMC-UHFFFAOYSA-N -1 2 326.399 2.766 20 0 EFADLM Cc1ccc(C)c(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)c1 ZINC000832925059 604625507 /nfs/dbraw/zinc/62/55/07/604625507.db2.gz 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ZINC001234337303 1313107458 /nfs/dbraw/zinc/10/74/58/1313107458.db2.gz YYOJYQONAVOAGL-UHFFFAOYSA-N -1 2 344.300 2.659 20 0 EFADLM CCOC(=O)[C@H]1CCC[C@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)C1 ZINC001234335986 1313107942 /nfs/dbraw/zinc/10/79/42/1313107942.db2.gz OBJCAFCTFOSFCZ-FZMZJTMJSA-N -1 2 344.300 2.659 20 0 EFADLM CCOC(=O)[C@H]1CCC[C@H](Oc2ccc(O[P@](=O)([O-])O)cc2)C1 ZINC001234335986 1313107944 /nfs/dbraw/zinc/10/79/44/1313107944.db2.gz OBJCAFCTFOSFCZ-FZMZJTMJSA-N -1 2 344.300 2.659 20 0 EFADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)ccc1F ZINC000160137977 1297784950 /nfs/dbraw/zinc/78/49/50/1297784950.db2.gz MAWRECCHWBHHFW-UHFFFAOYSA-N -1 2 345.298 2.911 20 0 EFADLM COc1cc(-n2cc[nH+]c2)ccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242163670 1314187202 /nfs/dbraw/zinc/18/72/02/1314187202.db2.gz FVRJSQSNGFREIH-UHFFFAOYSA-N -1 2 338.319 2.944 20 0 EFADLM O=C1[N-]S(=O)(=O)c2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc21 ZINC001242852703 1314239148 /nfs/dbraw/zinc/23/91/48/1314239148.db2.gz XFCPZCFGBWSGNH-UHFFFAOYSA-N -1 2 344.175 2.798 20 0 EFADLM O=[P@]([O-])(O)c1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1 ZINC001242989439 1314251011 /nfs/dbraw/zinc/25/10/11/1314251011.db2.gz PTVJAJNQGZJNJO-UHFFFAOYSA-N -1 2 334.186 2.761 20 0 EFADLM O=[P@@]([O-])(O)c1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1 ZINC001242989439 1314251014 /nfs/dbraw/zinc/25/10/14/1314251014.db2.gz PTVJAJNQGZJNJO-UHFFFAOYSA-N -1 2 334.186 2.761 20 0 EFADLM Fc1ccc(C[NH+]2CCOCC2)c(-c2ccccc2-c2nn[nH]n2)c1 ZINC001243085257 1314258845 /nfs/dbraw/zinc/25/88/45/1314258845.db2.gz MYYXUCUSJXQYKI-UHFFFAOYSA-N -1 2 339.374 2.505 20 0 EFADLM O=C(c1ccc(O)cc1O)c1ccc(O)cc1O[C@H]1CCCCC1=O ZINC001228122482 1311902613 /nfs/dbraw/zinc/90/26/13/1311902613.db2.gz NHECTBJWNZSHHD-KRWDZBQOSA-N -1 2 342.347 2.925 20 0 EFADLM C[C@H]1COCC[C@H]1Oc1cc(O)ccc1C(=O)c1ccc(O)cc1O ZINC001228121276 1311902660 /nfs/dbraw/zinc/90/26/60/1311902660.db2.gz BKDKYAZYDIPTJT-APPDUMDISA-N -1 2 344.363 2.838 20 0 EFADLM C[C@@H](Oc1[nH]c(=O)ncc1Cl)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001228480537 1311953984 /nfs/dbraw/zinc/95/39/84/1311953984.db2.gz LSPBHHMNUWXVTG-IUODEOHRSA-N -1 2 349.818 2.504 20 0 EFADLM O=[P@@]([O-])(O)c1ccc(NCc2cccc(OC(F)F)c2)cc1 ZINC001161991150 1312023323 /nfs/dbraw/zinc/02/33/23/1312023323.db2.gz RVYLCUASKLNUKO-UHFFFAOYSA-N -1 2 329.239 2.703 20 0 EFADLM O=[P@]([O-])(O)c1ccc(NCc2cccc(OC(F)F)c2)cc1 ZINC001161991150 1312023324 /nfs/dbraw/zinc/02/33/24/1312023324.db2.gz RVYLCUASKLNUKO-UHFFFAOYSA-N -1 2 329.239 2.703 20 0 EFADLM Cc1ccc(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c(F)c1 ZINC000405010628 1315024793 /nfs/dbraw/zinc/02/47/93/1315024793.db2.gz PPLWRWUZSOZCAF-UHFFFAOYSA-N -1 2 345.298 2.911 20 0 EFADLM O=C([O-])c1cccc(S(=O)(=O)Nc2cccnc2C(F)(F)F)c1 ZINC001260183889 1316320755 /nfs/dbraw/zinc/32/07/55/1316320755.db2.gz GXDSTOOQJMKSMQ-UHFFFAOYSA-N -1 2 346.286 2.599 20 0 EFADLM CC(C)(C)CCC[N@H+]1CCOC[C@H]1CNC(=O)c1ccccc1O ZINC001421679280 1378985625 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EFADLM CC(Oc1ccccc1-c1nnn[n-]1)C(=O)N1C2CCCC1CCC2 ZINC000736180035 1446890197 /nfs/dbraw/zinc/89/01/97/1446890197.db2.gz HGFFFHCKYNJZNW-HSBZDZAISA-N -1 2 341.415 2.568 20 0 EFADLM Cc1csc(C[N@@H+]2C[C@H](NC(=O)c3ccccc3O)C(C)(C)C2)n1 ZINC000972815441 717356629 /nfs/dbraw/zinc/35/66/29/717356629.db2.gz SSYURVYZRHRMRR-HNNXBMFYSA-N -1 2 345.468 2.798 20 0 EFADLM CCO/C=C\[C@](O)(C[NH2+]Cc1c(F)ccc(O)c1F)C(F)(F)F ZINC000895713196 724273068 /nfs/dbraw/zinc/27/30/68/724273068.db2.gz JZJDPSPBIWRMJW-SZZPACECSA-N -1 2 341.276 2.604 20 0 EFADLM O=C([O-])c1ccc(NS(=O)(=O)c2cccc3ccccc32)nc1 ZINC000323209925 970977992 /nfs/dbraw/zinc/97/79/92/970977992.db2.gz WFEUMCRSGBXPOA-UHFFFAOYSA-N -1 2 328.349 2.734 20 0 EFADLM Cc1oc(C)c(S(=O)(=O)Nc2cccc3ccncc32)c1C(=O)[O-] ZINC000325352827 971206701 /nfs/dbraw/zinc/20/67/01/971206701.db2.gz BSWOOOHZSUUONZ-UHFFFAOYSA-N -1 2 346.364 2.944 20 0 EFADLM O=C([O-])[C@H]1CCN(Cc2nc(=O)c3sccc3[nH]2)c2ccccc21 ZINC000325369687 971208897 /nfs/dbraw/zinc/20/88/97/971208897.db2.gz JTLSUWWHBFCGBU-NSHDSACASA-N -1 2 341.392 2.975 20 0 EFADLM O=C([O-])CCCCC(=O)Nc1nc(-c2ccc3ccccc3n2)n[nH]1 ZINC001595034554 951388780 /nfs/dbraw/zinc/38/87/80/951388780.db2.gz BPCFZVQPEJVUSI-UHFFFAOYSA-N -1 2 339.355 2.603 20 0 EFADLM O=C([O-])C1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)C1 ZINC001594948473 954938922 /nfs/dbraw/zinc/93/89/22/954938922.db2.gz WNZGBKDKMMOXHQ-UHFFFAOYSA-N -1 2 331.755 2.869 20 0 EFADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1nc(C(C)(C)C)cs1 ZINC000387334540 972118576 /nfs/dbraw/zinc/11/85/76/972118576.db2.gz BDLDXDDCVBIMGI-UHFFFAOYSA-N -1 2 344.414 2.841 20 0 EFADLM CCOc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000038058936 957353316 /nfs/dbraw/zinc/35/33/16/957353316.db2.gz BAQXFMDMQZSBLW-UHFFFAOYSA-N -1 2 327.383 2.646 20 0 EFADLM CC(C)c1csc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)n1 ZINC000049235778 957476086 /nfs/dbraw/zinc/47/60/86/957476086.db2.gz ZZXKYKURRODAKV-UHFFFAOYSA-N -1 2 332.428 2.827 20 0 EFADLM O=C([O-])c1cncc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1 ZINC000062947018 957630342 /nfs/dbraw/zinc/63/03/42/957630342.db2.gz MJYRTUCKWGCPHN-UHFFFAOYSA-N -1 2 347.179 2.887 20 0 EFADLM O=C([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3s2)c1 ZINC000085344836 957902566 /nfs/dbraw/zinc/90/25/66/957902566.db2.gz NCTCAKKHRPBFAN-UHFFFAOYSA-N -1 2 334.378 2.795 20 0 EFADLM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2c(O)cc(F)cc2F)c2ccccc21 ZINC001605743576 972387998 /nfs/dbraw/zinc/38/79/98/972387998.db2.gz LJDRYOJYBLLHBV-DGCLKSJQSA-N -1 2 333.290 2.713 20 0 EFADLM COc1ccccc1NS(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC000226463636 959879226 /nfs/dbraw/zinc/87/92/26/959879226.db2.gz MQKNMYZECUWEFE-UHFFFAOYSA-N -1 2 327.383 2.564 20 0 EFADLM COc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1Cl ZINC000227941913 959977171 /nfs/dbraw/zinc/97/71/71/959977171.db2.gz NXJCCJOOOIUPDQ-UHFFFAOYSA-N -1 2 347.801 2.909 20 0 EFADLM O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1c(O)cc(F)cc1F ZINC001571174450 962089989 /nfs/dbraw/zinc/08/99/89/962089989.db2.gz WKOOBAIEODHGSC-GFCCVEGCSA-N -1 2 327.327 2.824 20 0 EFADLM Cc1oc(C)c(S(=O)(=O)Nc2cc(F)cc(F)c2)c1C(=O)[O-] ZINC000314085251 963709402 /nfs/dbraw/zinc/70/94/02/963709402.db2.gz GFKYCVKMXBNRMG-UHFFFAOYSA-N -1 2 331.296 2.674 20 0 EFADLM CCc1ccc(S(=O)(=O)Nc2ccc(OCC(=O)[O-])cc2)s1 ZINC000315929365 963954455 /nfs/dbraw/zinc/95/44/55/963954455.db2.gz XDWMXEDYMSQVQU-UHFFFAOYSA-N -1 2 341.410 2.575 20 0 EFADLM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ncsc1C1CC1 ZINC000882771772 980204424 /nfs/dbraw/zinc/20/44/24/980204424.db2.gz SAGMAULJGLVNOJ-UHFFFAOYSA-N -1 2 338.410 2.828 20 0 EFADLM CCCc1cnc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)s1 ZINC001596081949 983396482 /nfs/dbraw/zinc/39/64/82/983396482.db2.gz GZWBWIMDZUVDIO-UHFFFAOYSA-N -1 2 344.389 2.734 20 0 EFADLM CCCc1cnc(NS(=O)(=O)Cc2cccc(C(=O)[O-])c2)s1 ZINC001596082579 983401500 /nfs/dbraw/zinc/40/15/00/983401500.db2.gz RWPMMWKDLRZEMN-UHFFFAOYSA-N -1 2 340.426 2.736 20 0 EFADLM CSc1cc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])ccn1 ZINC001599809574 988310613 /nfs/dbraw/zinc/31/06/13/988310613.db2.gz LCTKFKDHSLZUMR-UHFFFAOYSA-N -1 2 342.398 2.512 20 0 EFADLM CSc1cccc(NS(=O)(=O)c2csnc2C(=O)[O-])c1C ZINC001599823155 988550407 /nfs/dbraw/zinc/55/04/07/988550407.db2.gz ABENHUUMZOZZPW-UHFFFAOYSA-N -1 2 344.439 2.672 20 0 EFADLM CCc1cccnc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001597621610 988550636 /nfs/dbraw/zinc/55/06/36/988550636.db2.gz DJFDYJNVZNAXRY-UHFFFAOYSA-N -1 2 340.788 2.796 20 0 EFADLM CCc1ccncc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC001597622733 988563160 /nfs/dbraw/zinc/56/31/60/988563160.db2.gz BBEVDOBCBRXKDZ-UHFFFAOYSA-N -1 2 338.360 2.591 20 0 EFADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2ncccc21 ZINC001597790404 989310935 /nfs/dbraw/zinc/31/09/35/989310935.db2.gz ATKCDKKXCCLSIO-UHFFFAOYSA-N -1 2 346.364 2.889 20 0 EFADLM CN(C(=O)c1cc(Br)c(F)cc1O)C(C)(C)CC(=O)[O-] ZINC001598073470 990377145 /nfs/dbraw/zinc/37/71/45/990377145.db2.gz OEGBNSYYHUCFPW-UHFFFAOYSA-N -1 2 348.168 2.619 20 0 EFADLM CN(C(=O)c1cc(Br)cc(F)c1O)C(C)(C)CC(=O)[O-] ZINC001598073525 990377804 /nfs/dbraw/zinc/37/78/04/990377804.db2.gz PQKSLLHBHUBBFL-UHFFFAOYSA-N -1 2 348.168 2.619 20 0 EFADLM CN(Cc1ccc(C=CC(=O)[O-])o1)Cc1nc(=O)c2sccc2[nH]1 ZINC001598538125 992864325 /nfs/dbraw/zinc/86/43/25/992864325.db2.gz DZRBANNHVJHROM-SNAWJCMRSA-N -1 2 345.380 2.720 20 0 EFADLM CN(Cc1ccc(C=CC(=O)[O-])o1)Cc1nc(=O)c2sccc2[nH]1 ZINC001598538124 992864508 /nfs/dbraw/zinc/86/45/08/992864508.db2.gz DZRBANNHVJHROM-PLNGDYQASA-N -1 2 345.380 2.720 20 0 EFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccn(C3CCCCC3)n2)cc1 ZINC001647160420 1089014666 /nfs/dbraw/zinc/01/46/66/1089014666.db2.gz OIWUQLMDVHCUMF-UHFFFAOYSA-N -1 2 349.412 2.887 20 0 EFADLM O=C([N-]c1c(F)cc(Cl)cc1F)c1ccc(-c2nn[nH]n2)o1 ZINC001582631723 1091587286 /nfs/dbraw/zinc/58/72/86/1091587286.db2.gz NKFUBXJTPBELPN-UHFFFAOYSA-N -1 2 325.662 2.644 20 0 EFADLM Cc1c(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cccc1N(C)C ZINC001600054975 1094743483 /nfs/dbraw/zinc/74/34/83/1094743483.db2.gz SEQLOUBAIUZFCU-UHFFFAOYSA-N -1 2 340.426 2.622 20 0 EFADLM Cc1cc(S(=O)(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)c(C)o1 ZINC001600301363 1094953875 /nfs/dbraw/zinc/95/38/75/1094953875.db2.gz CBXPUFWJXMIJCG-UHFFFAOYSA-N -1 2 345.760 2.754 20 0 EFADLM Cc1noc(C(C)C)c1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001600483045 1095100549 /nfs/dbraw/zinc/10/05/49/1095100549.db2.gz XZUDFBUXTPQQQV-UHFFFAOYSA-N -1 2 338.385 2.914 20 0 EFADLM Cc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)s1 ZINC001600483669 1095100599 /nfs/dbraw/zinc/10/05/99/1095100599.db2.gz GJPROASTXHYZRU-UHFFFAOYSA-N -1 2 346.455 2.676 20 0 EFADLM Cc1cccc(S(=O)(=O)Nc2nc(C(C)(C)C)co2)c1C(=O)[O-] ZINC001600550291 1095155868 /nfs/dbraw/zinc/15/58/68/1095155868.db2.gz BNYZKDGZWDCHSB-UHFFFAOYSA-N -1 2 338.385 2.780 20 0 EFADLM Cc1cccc(S(=O)(=O)Nc2scnc2C2CC2)c1C(=O)[O-] ZINC001600550662 1095156609 /nfs/dbraw/zinc/15/66/09/1095156609.db2.gz KZADXKVKWAWNNZ-UHFFFAOYSA-N -1 2 338.410 2.828 20 0 EFADLM Cc1cnc(NS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])o1 ZINC001600623687 1095219115 /nfs/dbraw/zinc/21/91/15/1095219115.db2.gz NPIXBSGQJKARID-UHFFFAOYSA-N -1 2 338.366 2.697 20 0 EFADLM O=C([O-])c1ccc(CC(=O)Nc2cc(Cl)cc(Cl)c2O)cn1 ZINC001601357605 1095633463 /nfs/dbraw/zinc/63/34/63/1095633463.db2.gz COGXARRPTNXDIU-UHFFFAOYSA-N -1 2 341.150 2.973 20 0 EFADLM O=C([O-])[C@@H]1CN(C(=O)c2cc(F)c(O)c(F)c2)C[C@@H]1c1ccccc1 ZINC001602186614 1096107445 /nfs/dbraw/zinc/10/74/45/1096107445.db2.gz VPPYPCQLJPAKPV-CHWSQXEVSA-N -1 2 347.317 2.611 20 0 EFADLM O=C([O-])c1ccc(NC(=O)c2ncc(Br)cc2O)cc1 ZINC001602380881 1096216366 /nfs/dbraw/zinc/21/63/66/1096216366.db2.gz JPUVRQJEYGPSBS-UHFFFAOYSA-N -1 2 337.129 2.500 20 0 EFADLM O=C([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H]3C(=O)[O-])cs2)c1 ZINC001602428848 1096239476 /nfs/dbraw/zinc/23/94/76/1096239476.db2.gz CGDPUNFAUMGBMY-ZDUSSCGKSA-N -1 2 332.381 2.557 20 0 EFADLM O=C([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H]3C(=O)[O-])cs2)c1 ZINC001602428848 1096239484 /nfs/dbraw/zinc/23/94/84/1096239484.db2.gz CGDPUNFAUMGBMY-ZDUSSCGKSA-N -1 2 332.381 2.557 20 0 EFADLM O=C([O-])c1ccoc1S(=O)(=O)N[C@H](c1ccccc1)C(F)(F)F ZINC001602489261 1096270878 /nfs/dbraw/zinc/27/08/78/1096270878.db2.gz YAGUCXDJVXHKMC-SNVBAGLBSA-N -1 2 349.286 2.560 20 0 EFADLM O=C([O-])c1coc(S(=O)(=O)N[C@H](c2ccccc2)C(F)(F)F)c1 ZINC001602557437 1096296315 /nfs/dbraw/zinc/29/63/15/1096296315.db2.gz WVCLQCRRAAWJJF-LLVKDONJSA-N -1 2 349.286 2.560 20 0 EFADLM O=C([O-])c1csc(NC(=O)c2ncc(Br)cc2O)c1 ZINC001602563407 1096301446 /nfs/dbraw/zinc/30/14/46/1096301446.db2.gz LFLMXJHZAJRKJL-UHFFFAOYSA-N -1 2 343.158 2.562 20 0 EFADLM O=C([O-])c1ncc(NS(=O)(=O)c2ccccc2Cl)cc1Cl ZINC001602571624 1096304707 /nfs/dbraw/zinc/30/47/07/1096304707.db2.gz BEXPPFXOMBHLEJ-UHFFFAOYSA-N -1 2 347.179 2.887 20 0 EFADLM CC(C)C[C@H]1COCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1Cl ZINC001603269996 1096490337 /nfs/dbraw/zinc/49/03/37/1096490337.db2.gz ILLBMJZPPVTFMP-AWEZNQCLSA-N -1 2 335.839 2.767 20 0 EFADLM C[N@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)Cc1ccc(F)cc1F ZINC001604804755 1096960928 /nfs/dbraw/zinc/96/09/28/1096960928.db2.gz XOBPRALXTAQVDI-UHFFFAOYSA-N -1 2 333.317 2.916 20 0 EFADLM CC[C@@](CNC(=O)c1c(O)cc(F)cc1F)(C(=O)[O-])c1ccccc1 ZINC001605036052 1097007806 /nfs/dbraw/zinc/00/78/06/1097007806.db2.gz ZQRZSAZFVFGWTH-SFHVURJKSA-N -1 2 349.333 2.833 20 0 EFADLM CCCN(C(=O)c1cc(Br)cc(F)c1O)[C@H](C)C(=O)[O-] ZINC001605299950 1097087313 /nfs/dbraw/zinc/08/73/13/1097087313.db2.gz PDJYXPAPUZQLIF-SSDOTTSWSA-N -1 2 348.168 2.619 20 0 EFADLM COc1ccc([C@@H](NC(=O)c2cccc(Cl)c2O)C(=O)[O-])cc1 ZINC001607231181 1097567584 /nfs/dbraw/zinc/56/75/84/1097567584.db2.gz VFGJWUXRCQCOGZ-CYBMUJFWSA-N -1 2 335.743 2.610 20 0 EFADLM COc1ccc(C)cc1S(=O)(=O)Nc1scc(C)c1C(=O)[O-] ZINC001607235566 1097569203 /nfs/dbraw/zinc/56/92/03/1097569203.db2.gz IMMHLANYZDTKHQ-UHFFFAOYSA-N -1 2 341.410 2.873 20 0 EFADLM Cc1cc(Cl)cnc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001607655868 1097691403 /nfs/dbraw/zinc/69/14/03/1097691403.db2.gz IOWBUCRVIYFJPM-UHFFFAOYSA-N -1 2 344.751 2.682 20 0 EFADLM Cc1cc(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)sc1C ZINC001607708053 1097705302 /nfs/dbraw/zinc/70/53/02/1097705302.db2.gz RGTMQHMERWJCQQ-UHFFFAOYSA-N -1 2 346.455 2.639 20 0 EFADLM Cc1cccc(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)c1C(=O)[O-] ZINC001607862860 1097757810 /nfs/dbraw/zinc/75/78/10/1097757810.db2.gz CYGYTVAESGRZTL-NSHDSACASA-N -1 2 349.412 2.662 20 0 EFADLM Cc1cccc(S(=O)(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c1 ZINC001607863051 1097757964 /nfs/dbraw/zinc/75/79/64/1097757964.db2.gz JWNVREBTPQHMKM-UHFFFAOYSA-N -1 2 338.410 2.828 20 0 EFADLM Cc1cccc2c(=O)c(C(=O)N[C@@H](CC(=O)[O-])C3CCCC3)c[nH]c12 ZINC001607864825 1097758282 /nfs/dbraw/zinc/75/82/82/1097758282.db2.gz ULJAXORCBJTTGD-HNNXBMFYSA-N -1 2 342.395 2.600 20 0 EFADLM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)c1cccc(Cl)c1O ZINC001608008988 1097803893 /nfs/dbraw/zinc/80/38/93/1097803893.db2.gz BOMYHSVNUHCWRV-UHFFFAOYSA-N -1 2 337.763 2.586 20 0 EFADLM O=C([O-])[C@H](NC(=O)C(F)C(F)(F)F)c1cccc2ccccc21 ZINC001608544198 1097947209 /nfs/dbraw/zinc/94/72/09/1097947209.db2.gz VXKXCJVOBYRKCS-NEPJUHHUSA-N -1 2 329.249 2.982 20 0 EFADLM O=C([O-])[C@H](NC(=O)[C@H](F)C(F)(F)F)c1cccc2ccccc21 ZINC001608544198 1097947213 /nfs/dbraw/zinc/94/72/13/1097947213.db2.gz VXKXCJVOBYRKCS-NEPJUHHUSA-N -1 2 329.249 2.982 20 0 EFADLM O=C([O-])C[C@@H]1CN(C(=O)c2cc(F)cc(F)c2O)c2ccccc21 ZINC001608700041 1097994083 /nfs/dbraw/zinc/99/40/83/1097994083.db2.gz VIFVBYLOMIQSCX-SECBINFHSA-N -1 2 333.290 2.889 20 0 EFADLM O=C([O-])CCN(Cc1ccncc1)C(=O)c1cccc(Cl)c1O ZINC001608723097 1098001131 /nfs/dbraw/zinc/00/11/31/1098001131.db2.gz VDCYMIHIAASCEY-UHFFFAOYSA-N -1 2 334.759 2.558 20 0 EFADLM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)C(F)C(F)(F)F)CC3 ZINC001608917530 1098071802 /nfs/dbraw/zinc/07/18/02/1098071802.db2.gz SSVIQGPLRDDKMF-GFCCVEGCSA-N -1 2 344.264 2.651 20 0 EFADLM O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)[C@@H](F)C(F)(F)F)CC3 ZINC001608917530 1098071806 /nfs/dbraw/zinc/07/18/06/1098071806.db2.gz SSVIQGPLRDDKMF-GFCCVEGCSA-N -1 2 344.264 2.651 20 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ARGHUJBDKVOGOF-UHFFFAOYSA-N -1 2 348.405 2.724 20 0 EFADLM O=C([O-])c1nc(NS(=O)(=O)c2ccccc2F)sc1C1CC1 ZINC001610870841 1098947973 /nfs/dbraw/zinc/94/79/73/1098947973.db2.gz YDEGDAPLZVZDDY-UHFFFAOYSA-N -1 2 342.373 2.659 20 0 EFADLM O=C(Nn1c(=O)[n-][nH]c1=O)c1sc2cccc(Cl)c2c1Cl ZINC001637944022 1100819633 /nfs/dbraw/zinc/81/96/33/1100819633.db2.gz ULJOYLHVWICTSR-UHFFFAOYSA-N -1 2 345.167 2.595 20 0 EFADLM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(F)c(F)c(O)c1F ZINC000261955596 304144175 /nfs/dbraw/zinc/14/41/75/304144175.db2.gz WZCAOFIOXKNIOP-XROYCOCOSA-N -1 2 343.301 2.667 20 0 EFADLM Cc1cc2cc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3O)ccc2[nH]1 ZINC000433496165 248066450 /nfs/dbraw/zinc/06/64/50/248066450.db2.gz DDPOVCRJWXANAN-UHFFFAOYSA-N -1 2 346.364 2.681 20 0 EFADLM C[C@@H]([N-]C(=O)C(F)(F)F)c1ccc(CNC(=O)C(F)(F)F)cc1 ZINC000097107837 218957589 /nfs/dbraw/zinc/95/75/89/218957589.db2.gz AMLAUGQQELLSQP-SSDOTTSWSA-N -1 2 342.239 2.605 20 0 EFADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc2[nH]ncc21 ZINC000346475704 142209941 /nfs/dbraw/zinc/20/99/41/142209941.db2.gz IVKPQCUWUPWPQF-UHFFFAOYSA-N -1 2 345.380 2.679 20 0 EFADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc2[nH]ncc21 ZINC000346495156 142212015 /nfs/dbraw/zinc/21/20/15/142212015.db2.gz XBPYIXOPCKHTFW-UHFFFAOYSA-N -1 2 349.343 2.509 20 0 EFADLM Cc1ccc(NS(=O)(=O)c2ccoc2)c(SCCC(=O)[O-])c1 ZINC000349012971 146037055 /nfs/dbraw/zinc/03/70/55/146037055.db2.gz XHKFKBAIPMSNPY-UHFFFAOYSA-N -1 2 341.410 2.956 20 0 EFADLM CCOC(=O)c1n[nH]c(-c2cccc(C[NH2+]Cc3ccco3)c2)n1 ZINC000349254146 146071458 /nfs/dbraw/zinc/07/14/58/146071458.db2.gz YAOOWVBNWRKHJW-UHFFFAOYSA-N -1 2 326.356 2.531 20 0 EFADLM Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c(F)cc1F ZINC000350730556 146084722 /nfs/dbraw/zinc/08/47/22/146084722.db2.gz UFLAOJZJJXCQKI-UHFFFAOYSA-N -1 2 327.308 2.772 20 0 EFADLM CC(C)n1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)[O-])cn1 ZINC000351379391 146122726 /nfs/dbraw/zinc/12/27/26/146122726.db2.gz 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Cc1cc(C)n(-c2ccccc2CNC(=O)c2cccc3[nH]nnc32)n1 ZINC000182802283 323302595 /nfs/dbraw/zinc/30/25/95/323302595.db2.gz ZWEXIVUVGYXBNH-UHFFFAOYSA-N -1 2 346.394 2.690 20 0 EFADLM O=C([O-])c1ccccc1NS(=O)(=O)c1cccc(Cl)c1F ZINC000036983419 472007995 /nfs/dbraw/zinc/00/79/95/472007995.db2.gz AEJDQYFAAPCOHL-UHFFFAOYSA-N -1 2 329.736 2.978 20 0 EFADLM COc1ccc(C)cc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000045774429 472460360 /nfs/dbraw/zinc/46/03/60/472460360.db2.gz WDUIUMMQNDQDIN-UHFFFAOYSA-N -1 2 341.410 2.873 20 0 EFADLM O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cccc2[nH]nnc21 ZINC000119089629 472525506 /nfs/dbraw/zinc/52/55/06/472525506.db2.gz ONBSAWUDBGLBAX-HOCLYGCPSA-N -1 2 342.786 2.871 20 0 EFADLM O=C([O-])c1csc(S(=O)(=O)Nc2cccc(-c3cn[nH]c3)c2)c1 ZINC000090166543 472605975 /nfs/dbraw/zinc/60/59/75/472605975.db2.gz YVCJWZYQGMPVHP-UHFFFAOYSA-N -1 2 349.393 2.637 20 0 EFADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2c1ccn2C ZINC000072759968 472713348 /nfs/dbraw/zinc/71/33/48/472713348.db2.gz 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O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cccc(C(F)F)c2)c1 ZINC000436993863 477660898 /nfs/dbraw/zinc/66/08/98/477660898.db2.gz ICQPOWIXJGFFLW-UHFFFAOYSA-N -1 2 343.307 2.829 20 0 EFADLM C[C@@H](C[NH3+])N(C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1 ZINC000420289656 477666352 /nfs/dbraw/zinc/66/63/52/477666352.db2.gz KOQVFRGNKIANJG-JTQLQIEISA-N -1 2 346.431 2.570 20 0 EFADLM CC[C@H](C)CO[N-]C(=O)C(NC(=O)OC(C)(C)C)C(F)(F)F ZINC000495630500 478250042 /nfs/dbraw/zinc/25/00/42/478250042.db2.gz DQBGUUFAPFVRDM-DTWKUNHWSA-N -1 2 328.331 2.536 20 0 EFADLM O=C([O-])CCCOc1ccc(CNc2nc(C3CC3)ns2)cc1 ZINC000570686474 478421597 /nfs/dbraw/zinc/42/15/97/478421597.db2.gz LHQTWTWPQKNCNO-UHFFFAOYSA-N -1 2 333.413 2.693 20 0 EFADLM O=c1cc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)nc(C2CC2)[nH]1 ZINC000573183583 479007991 /nfs/dbraw/zinc/00/79/91/479007991.db2.gz NUNBIGJMSVYUPD-KRWDZBQOSA-N -1 2 325.412 2.503 20 0 EFADLM CCc1cc(=O)[nH]c(C[N@@H+]2CCCC[C@H]2CC(=O)OC(C)(C)C)n1 ZINC000593093658 479171126 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Cc1cnc([C@@H](C)[N@@H+](C)[C@H]2CCN(C(=O)c3ccccc3O)C2)o1 ZINC000971108165 714363509 /nfs/dbraw/zinc/36/35/09/714363509.db2.gz JAHHRNQSOVFHTJ-KGLIPLIRSA-N -1 2 329.400 2.596 20 0 EFADLM Cc1cnc([C@@H](C)[N@H+](C)[C@H]2CCCN(C(=O)c3ccccc3O)C2)o1 ZINC001027309172 715378612 /nfs/dbraw/zinc/37/86/12/715378612.db2.gz ZNOTUXUSNSATJH-CABCVRRESA-N -1 2 343.427 2.986 20 0 EFADLM Cc1nc(C[N@H+]2CCC[C@H]2CNC(=O)c2ccccc2O)c(C)s1 ZINC001027761000 716869781 /nfs/dbraw/zinc/86/97/81/716869781.db2.gz FDXSBONLQSKQRR-AWEZNQCLSA-N -1 2 345.468 2.860 20 0 EFADLM O=C(NC[C@H]1CCC[N@H+]1Cc1ccncc1Cl)c1ccccc1O ZINC001027760961 716869835 /nfs/dbraw/zinc/86/98/35/716869835.db2.gz DFDMFTCMVBPCIM-CQSZACIVSA-N -1 2 345.830 2.835 20 0 EFADLM O=C(NC[C@H]1CCC[N@@H+]1Cc1cccc(Cl)c1)c1ncccc1O ZINC001027842927 717500706 /nfs/dbraw/zinc/50/07/06/717500706.db2.gz AQSJKJOARWJFSZ-OAHLLOKOSA-N -1 2 345.830 2.835 20 0 EFADLM O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ncccc1O ZINC001024407099 717694561 /nfs/dbraw/zinc/69/45/61/717694561.db2.gz KNEBTVBQBBYJHK-INIZCTEOSA-N -1 2 343.402 2.711 20 0 EFADLM CC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000320362347 720623832 /nfs/dbraw/zinc/62/38/32/720623832.db2.gz RQEOHVFPXODCTN-UHFFFAOYSA-N -1 2 337.328 2.527 20 0 EFADLM CCOc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000319993900 722864586 /nfs/dbraw/zinc/86/45/86/722864586.db2.gz KTBOPAQKOWKCMM-UHFFFAOYSA-N -1 2 339.344 2.723 20 0 EFADLM CCOC(=O)c1n[nH]c([C@@H](CC(C)C)NCc2ccccc2OC)n1 ZINC000895105982 723306310 /nfs/dbraw/zinc/30/63/10/723306310.db2.gz WCWYRQIWKKXQRG-CQSZACIVSA-N -1 2 346.431 2.867 20 0 EFADLM COc1cccc(O)c1C(=O)N1CC2(CC[N@H+]2Cc2ccccc2)C1 ZINC000910776082 727464489 /nfs/dbraw/zinc/46/44/89/727464489.db2.gz DAPKWQZLENGMRB-UHFFFAOYSA-N -1 2 338.407 2.501 20 0 EFADLM C[C@H](c1ccccc1Cl)[NH+]1CC(CNC(=O)c2ncccc2O)C1 ZINC001031628669 729111921 /nfs/dbraw/zinc/11/19/21/729111921.db2.gz SSZUKQRQTZQXOX-GFCCVEGCSA-N -1 2 345.830 2.863 20 0 EFADLM CCCc1nc(C)c(C[N@@H+]2CC[C@H]2CNC(=O)c2ccccc2O)o1 ZINC001038073600 729738471 /nfs/dbraw/zinc/73/84/71/729738471.db2.gz GYSBMVYLXBFIIW-AWEZNQCLSA-N -1 2 343.427 2.645 20 0 EFADLM O=C([O-])CC[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2O)CO1 ZINC001595007102 951215620 /nfs/dbraw/zinc/21/56/20/951215620.db2.gz YKMXAXNTNDDSOL-VXNVDRBHSA-N -1 2 348.182 2.907 20 0 EFADLM O=C([O-])[C@@H]1CN(C(=O)c2cc(F)c(O)c(F)c2)C[C@H]1c1ccccc1 ZINC001595187162 952272666 /nfs/dbraw/zinc/27/26/66/952272666.db2.gz VPPYPCQLJPAKPV-QWHCGFSZSA-N -1 2 347.317 2.611 20 0 EFADLM CC[C@H](C)[C@H](NC(=O)c1cc(Br)c(F)cc1O)C(=O)[O-] ZINC001593613496 953476083 /nfs/dbraw/zinc/47/60/83/953476083.db2.gz KPABRJMNNMTUMU-KGFZYKRKSA-N -1 2 348.168 2.523 20 0 EFADLM O=C([O-])C1(c2noc(-c3cccc(Br)c3O)n2)CCC1 ZINC001594886635 954471702 /nfs/dbraw/zinc/47/17/02/954471702.db2.gz CRMZMXKAGZOTRI-UHFFFAOYSA-N -1 2 339.145 2.711 20 0 EFADLM C[C@@H](NC(=O)c1c(O)cc(F)cc1F)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589114479 956082343 /nfs/dbraw/zinc/08/23/43/956082343.db2.gz PWGHFWVFHYZILK-FKTZTGRPSA-N -1 2 327.327 2.536 20 0 EFADLM O=C([O-])c1ccc(Cl)cc1NS(=O)(=O)c1cccnc1Cl ZINC000035219834 957201351 /nfs/dbraw/zinc/20/13/51/957201351.db2.gz VHRPMYFXCIADKB-UHFFFAOYSA-N -1 2 347.179 2.887 20 0 EFADLM Cc1nc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)sc1C ZINC000048728022 957458994 /nfs/dbraw/zinc/45/89/94/957458994.db2.gz QIUKMLBIKHPOLB-UHFFFAOYSA-N -1 2 346.817 2.912 20 0 EFADLM Cc1ccc(-n2cc(NC(=O)N(C(C)C(=O)[O-])C3CC3)cn2)c(C)c1 ZINC001594341978 958297676 /nfs/dbraw/zinc/29/76/76/958297676.db2.gz UTQLDQSFWFRLBD-ZDUSSCGKSA-N -1 2 342.399 2.959 20 0 EFADLM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1nc(C2CC2)cs1 ZINC000226472109 959884247 /nfs/dbraw/zinc/88/42/47/959884247.db2.gz NVBMSRDOHCDKSK-UHFFFAOYSA-N -1 2 344.439 2.889 20 0 EFADLM O=C([O-])c1ccc2c(c1)CCN(C(=O)c1c(O)cc(F)cc1F)C2 ZINC001571208224 962424951 /nfs/dbraw/zinc/42/49/51/962424951.db2.gz MIUTWBXRDDHEGA-UHFFFAOYSA-N -1 2 333.290 2.567 20 0 EFADLM Cc1oc(C)c(S(=O)(=O)Nc2cccc(F)c2C)c1C(=O)[O-] ZINC000314682630 963790448 /nfs/dbraw/zinc/79/04/48/963790448.db2.gz QHCKAPQOVATBOX-UHFFFAOYSA-N -1 2 327.333 2.843 20 0 EFADLM CCOc1cccc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1 ZINC000320062636 970609094 /nfs/dbraw/zinc/60/90/94/970609094.db2.gz REHFQNWTNQIUKA-UHFFFAOYSA-N -1 2 339.369 2.794 20 0 EFADLM O=C([O-])[C@@H]1CN(C(=O)c2c(O)cc(F)cc2F)C[C@H]1c1ccccc1 ZINC001606427549 973873421 /nfs/dbraw/zinc/87/34/21/973873421.db2.gz TULMPJDAXVSXQS-QWHCGFSZSA-N -1 2 347.317 2.611 20 0 EFADLM Cc1ccc([C@@H](CNC(=O)c2c(O)cc(F)cc2F)C(=O)[O-])cc1 ZINC000738561078 978560041 /nfs/dbraw/zinc/56/00/41/978560041.db2.gz POECDRLHITZCTJ-GFCCVEGCSA-N -1 2 335.306 2.577 20 0 EFADLM Cc1cc(S(=O)(=O)Nc2cc(F)c(C(=O)[O-])c(F)c2)c(C)o1 ZINC000776280188 978748216 /nfs/dbraw/zinc/74/82/16/978748216.db2.gz CFQJWPIAGVGTQL-UHFFFAOYSA-N -1 2 331.296 2.674 20 0 EFADLM CCCS(=O)(=O)Nc1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001595986097 983228900 /nfs/dbraw/zinc/22/89/00/983228900.db2.gz DICNGSLWUIKPSY-UHFFFAOYSA-N -1 2 340.426 2.584 20 0 EFADLM CCCc1csc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)n1 ZINC001596074981 983392024 /nfs/dbraw/zinc/39/20/24/983392024.db2.gz YHHJHYFGEWKWOH-UHFFFAOYSA-N -1 2 340.426 2.524 20 0 EFADLM CC(=C(O)c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)C1CCCCC1 ZINC001599949458 985582944 /nfs/dbraw/zinc/58/29/44/985582944.db2.gz ZRRHKAGNXSEJRA-NSHDSACASA-N -1 2 341.429 2.648 20 0 EFADLM CCOc1ccc(C2=NN(c3ccc(CC(=O)[O-])cc3)C(=O)C2)cc1 ZINC001597081404 986624954 /nfs/dbraw/zinc/62/49/54/986624954.db2.gz JVIYEYBSRLFDRL-UHFFFAOYSA-N -1 2 338.363 2.853 20 0 EFADLM C[C@H](C(=O)[O-])c1ccc(NS(=O)(=O)c2cnn(C3CCC3)c2)cc1 ZINC001589523877 987194647 /nfs/dbraw/zinc/19/46/47/987194647.db2.gz UEWFVPKPTQIZPM-NSHDSACASA-N -1 2 349.412 2.597 20 0 EFADLM CCc1ccc(C)nc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001597514909 988125084 /nfs/dbraw/zinc/12/50/84/988125084.db2.gz YKFRWAYZWZIKQF-UHFFFAOYSA-N -1 2 338.360 2.591 20 0 EFADLM CCc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1Cl ZINC001597557101 988293785 /nfs/dbraw/zinc/29/37/85/988293785.db2.gz XMMADURMKXEWNR-UHFFFAOYSA-N -1 2 346.817 2.858 20 0 EFADLM CCc1nc(NS(=O)(=O)c2cccc(Cl)c2)sc1C(=O)[O-] ZINC001597685733 988842127 /nfs/dbraw/zinc/84/21/27/988842127.db2.gz ZTEJPTXFDGGQTG-UHFFFAOYSA-N -1 2 346.817 2.858 20 0 EFADLM CCc1nccc(C)c1NS(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001597702986 988936350 /nfs/dbraw/zinc/93/63/50/988936350.db2.gz JANGQWYFDFTGIG-UHFFFAOYSA-N -1 2 340.426 2.821 20 0 EFADLM COc1ccc(S(=O)(=O)Nc2sccc2C(=O)[O-])c(C)c1C ZINC001599617980 994043061 /nfs/dbraw/zinc/04/30/61/994043061.db2.gz REORHWYHBKTDJU-UHFFFAOYSA-N -1 2 341.410 2.873 20 0 EFADLM COc1cccc(C)c1NS(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001599661430 994662156 /nfs/dbraw/zinc/66/21/56/994662156.db2.gz KFMUJNYBJGGKJE-UHFFFAOYSA-N -1 2 341.410 2.873 20 0 EFADLM COC(CCCC(C)(C)CNc1[nH+]ccc(C)c1-c1nn[nH]n1)OC ZINC001591326667 1093692608 /nfs/dbraw/zinc/69/26/08/1093692608.db2.gz GAMUVBHTPHHRBT-UHFFFAOYSA-N -1 2 348.451 2.797 20 0 EFADLM Cc1cc(NCCn2c[nH+]cc2-c2ccccc2)ncc1-c1nn[nH]n1 ZINC001592051508 1093966767 /nfs/dbraw/zinc/96/67/67/1093966767.db2.gz VKPULAGIRVYLSH-UHFFFAOYSA-N -1 2 346.398 2.546 20 0 EFADLM Cc1cc(CN(C)Cc2nc(=O)c3sccc3[nH]2)oc1C(=O)[O-] ZINC001600190491 1094859079 /nfs/dbraw/zinc/85/90/79/1094859079.db2.gz NONIHXAASITHGR-UHFFFAOYSA-N -1 2 333.369 2.629 20 0 EFADLM Cc1cc2n[nH]cc2cc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001600306786 1094957339 /nfs/dbraw/zinc/95/73/39/1094957339.db2.gz LHFORBSWAWXKGR-UHFFFAOYSA-N -1 2 349.343 2.509 20 0 EFADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1nc(C(C)(C)C)co1 ZINC001600364950 1095005539 /nfs/dbraw/zinc/00/55/39/1095005539.db2.gz UKZSHGVXKBQJTA-UHFFFAOYSA-N -1 2 338.385 2.780 20 0 EFADLM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2c(O)cc(F)cc2F)c1 ZINC001600515739 1095126711 /nfs/dbraw/zinc/12/67/11/1095126711.db2.gz IBCCERDOYGWQSH-CYBMUJFWSA-N -1 2 335.306 2.925 20 0 EFADLM Cc1ccsc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001600610476 1095210044 /nfs/dbraw/zinc/21/00/44/1095210044.db2.gz SVYKXHRDPMALPG-UHFFFAOYSA-N -1 2 340.426 2.622 20 0 EFADLM Cc1cnc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)s1 ZINC001600623457 1095218358 /nfs/dbraw/zinc/21/83/58/1095218358.db2.gz FWFUFVJVNKATEI-UHFFFAOYSA-N -1 2 332.790 2.604 20 0 EFADLM Cn1cc(NS(=O)(=O)c2cscc2C(F)F)cc1C(=O)[O-] ZINC001600966511 1095449771 /nfs/dbraw/zinc/44/97/71/1095449771.db2.gz JDQGMBCOBPLDDT-UHFFFAOYSA-N -1 2 336.341 2.523 20 0 EFADLM O=C([O-])c1cccc2nc(NC(=O)c3cc(Cl)ccc3O)[nH]c21 ZINC001601631884 1095774599 /nfs/dbraw/zinc/77/45/99/1095774599.db2.gz BLYDGQJYVYXPEO-UHFFFAOYSA-N -1 2 331.715 2.872 20 0 EFADLM O=C([O-])c1cccc2nc(NC(=O)c3ccc(Cl)c(O)c3)[nH]c21 ZINC001601632917 1095775030 /nfs/dbraw/zinc/77/50/30/1095775030.db2.gz NLKSVKSARDIZEB-UHFFFAOYSA-N -1 2 331.715 2.872 20 0 EFADLM O=C([O-])CCCONC(=O)C1(c2c(Cl)cccc2Cl)CC1 ZINC001601994759 1096011589 /nfs/dbraw/zinc/01/15/89/1096011589.db2.gz LARGXFDQEAHJBD-UHFFFAOYSA-N -1 2 332.183 2.938 20 0 EFADLM O=C([O-])C[N@@H+](Cc1csc(-c2cccc(C(=O)[O-])c2)n1)CC1CC1 ZINC001602060267 1096048501 /nfs/dbraw/zinc/04/85/01/1096048501.db2.gz DBYPUHDLDUWYIW-UHFFFAOYSA-N -1 2 346.408 2.805 20 0 EFADLM O=C([O-])C[N@H+](Cc1csc(-c2cccc(C(=O)[O-])c2)n1)CC1CC1 ZINC001602060267 1096048514 /nfs/dbraw/zinc/04/85/14/1096048514.db2.gz DBYPUHDLDUWYIW-UHFFFAOYSA-N -1 2 346.408 2.805 20 0 EFADLM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2cccc(C3CC3)n2)c1 ZINC001602274790 1096155256 /nfs/dbraw/zinc/15/52/56/1096155256.db2.gz YAZNLMKYDUKTLY-UHFFFAOYSA-N -1 2 336.344 2.597 20 0 EFADLM O=C([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H]3C(=O)[O-])cs2)cc1 ZINC001602310949 1096172185 /nfs/dbraw/zinc/17/21/85/1096172185.db2.gz UYLMYPYDQUVDJE-ZDUSSCGKSA-N -1 2 332.381 2.557 20 0 EFADLM O=C([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3C(=O)[O-])cs2)cc1 ZINC001602310949 1096172190 /nfs/dbraw/zinc/17/21/90/1096172190.db2.gz UYLMYPYDQUVDJE-ZDUSSCGKSA-N -1 2 332.381 2.557 20 0 EFADLM O=C([O-])c1ccc(NC(=O)c2ncc(Br)cc2O)s1 ZINC001602381155 1096216584 /nfs/dbraw/zinc/21/65/84/1096216584.db2.gz VHNLOAUXQBPWEJ-UHFFFAOYSA-N -1 2 343.158 2.562 20 0 EFADLM O=C([O-])c1ccc2c(c1)CCN(C(=O)c1cccc(Cl)c1O)C2 ZINC001602415340 1096231575 /nfs/dbraw/zinc/23/15/75/1096231575.db2.gz BIEWKYZHKAURBZ-UHFFFAOYSA-N -1 2 331.755 2.942 20 0 EFADLM O=C([O-])c1cccc2c1CCN(C(=O)c1c(O)cc(F)cc1F)C2 ZINC001602456460 1096253711 /nfs/dbraw/zinc/25/37/11/1096253711.db2.gz UHYHCLBWSHWBOY-UHFFFAOYSA-N -1 2 333.290 2.567 20 0 EFADLM CC(C)(C)c1coc(NS(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC001603549209 1096550557 /nfs/dbraw/zinc/55/05/57/1096550557.db2.gz JZDHDSSOZYLKAT-UHFFFAOYSA-N -1 2 330.387 2.533 20 0 EFADLM CC(C)CCc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)nc1 ZINC001603798852 1096630428 /nfs/dbraw/zinc/63/04/28/1096630428.db2.gz MZUKUCJKTDBMKW-UHFFFAOYSA-N -1 2 349.412 2.564 20 0 EFADLM C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(Cl)c2)c2nccn21 ZINC001603855465 1096645280 /nfs/dbraw/zinc/64/52/80/1096645280.db2.gz IFNJWINCHOEPJB-RNCFNFMXSA-N -1 2 329.795 2.512 20 0 EFADLM C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(Cl)c2)c2nccn21 ZINC001603855463 1096645427 /nfs/dbraw/zinc/64/54/27/1096645427.db2.gz IFNJWINCHOEPJB-NOZJJQNGSA-N -1 2 329.795 2.512 20 0 EFADLM C[C@@H]1CC[C@](NC(=O)C(F)C(F)(F)F)(C(=O)[O-])c2ccccc21 ZINC001604701953 1096935383 /nfs/dbraw/zinc/93/53/83/1096935383.db2.gz RAZXXXJKJVUEJI-XPLICSAQSA-N -1 2 333.281 2.880 20 0 EFADLM C[C@@H]1CC[C@](NC(=O)[C@@H](F)C(F)(F)F)(C(=O)[O-])c2ccccc21 ZINC001604701953 1096935386 /nfs/dbraw/zinc/93/53/86/1096935386.db2.gz RAZXXXJKJVUEJI-XPLICSAQSA-N -1 2 333.281 2.880 20 0 EFADLM C[C@@H]1CC[C@](NC(=O)C(F)C(F)(F)F)(C(=O)[O-])c2ccccc21 ZINC001604701948 1096935637 /nfs/dbraw/zinc/93/56/37/1096935637.db2.gz RAZXXXJKJVUEJI-FDLBOYPASA-N -1 2 333.281 2.880 20 0 EFADLM C[C@@H]1CC[C@](NC(=O)[C@H](F)C(F)(F)F)(C(=O)[O-])c2ccccc21 ZINC001604701948 1096935639 /nfs/dbraw/zinc/93/56/39/1096935639.db2.gz RAZXXXJKJVUEJI-FDLBOYPASA-N -1 2 333.281 2.880 20 0 EFADLM CCCc1csc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC001605378480 1097110626 /nfs/dbraw/zinc/11/06/26/1097110626.db2.gz GEUONNSVHHPUBZ-UHFFFAOYSA-N -1 2 344.389 2.734 20 0 EFADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C)ccc1OC ZINC001605885495 1097264783 /nfs/dbraw/zinc/26/47/83/1097264783.db2.gz SWDIJNDFFWCVPX-UHFFFAOYSA-N -1 2 339.369 2.658 20 0 EFADLM C[N@H+](Cc1ccc(C(=O)[O-])s1)Cc1nc(=O)c2sccc2[n-]1 ZINC001606177838 1097339091 /nfs/dbraw/zinc/33/90/91/1097339091.db2.gz UHPVIZZICRDUCT-UHFFFAOYSA-N -1 2 335.410 2.789 20 0 EFADLM C[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1nc(=O)c2sccc2[n-]1 ZINC001606177838 1097339094 /nfs/dbraw/zinc/33/90/94/1097339094.db2.gz UHPVIZZICRDUCT-UHFFFAOYSA-N -1 2 335.410 2.789 20 0 EFADLM CN(Cc1ccc(C(=O)[O-])s1)Cc1nc(=O)c2sccc2[nH]1 ZINC001606177838 1097339100 /nfs/dbraw/zinc/33/91/00/1097339100.db2.gz UHPVIZZICRDUCT-UHFFFAOYSA-N -1 2 335.410 2.789 20 0 EFADLM c1ccc([C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccn2)c2ccccn2)cc1 ZINC001607126805 1097529046 /nfs/dbraw/zinc/52/90/46/1097529046.db2.gz PBXPLLPDMFLDOF-SFHVURJKSA-N -1 2 343.394 2.536 20 0 EFADLM Cc1cc(NS(=O)(=O)c2cccc(N(C)C)c2)sc1C(=O)[O-] ZINC001607697852 1097702119 /nfs/dbraw/zinc/70/21/19/1097702119.db2.gz UMTOQIOTRDIRJS-UHFFFAOYSA-N -1 2 340.426 2.622 20 0 EFADLM Cc1sc(C)c(C(=O)[O-])c1NS(=O)(=O)c1ccc(C)nc1 ZINC001607821534 1097743182 /nfs/dbraw/zinc/74/31/82/1097743182.db2.gz BBZCGLJKFXMWRN-UHFFFAOYSA-N -1 2 326.399 2.567 20 0 EFADLM Cc1n[nH]c2cc(NS(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])ccc12 ZINC001608043217 1097814250 /nfs/dbraw/zinc/81/42/50/1097814250.db2.gz MASVSWOSRCVFBX-UHFFFAOYSA-N -1 2 349.368 2.580 20 0 EFADLM Cc1[nH]nc2cc(NS(=O)(=O)c3c(C)oc(C)c3C(=O)[O-])ccc12 ZINC001608043217 1097814255 /nfs/dbraw/zinc/81/42/55/1097814255.db2.gz MASVSWOSRCVFBX-UHFFFAOYSA-N -1 2 349.368 2.580 20 0 EFADLM Cc1sc(NS(=O)(=O)c2csnc2C(=O)[O-])nc1C(C)C ZINC001608073976 1097825296 /nfs/dbraw/zinc/82/52/96/1097825296.db2.gz DUABELLEEFSDQR-UHFFFAOYSA-N -1 2 347.443 2.530 20 0 EFADLM O=C([O-])[C@H](C[C@H]1CCCc2ccccc21)NC(=O)C(F)C(F)(F)F ZINC001608531882 1097942398 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340.426 2.524 20 0 EFADLM Cc1csc(C(=O)[O-])c1NS(=O)(=O)c1cncc(Cl)c1 ZINC001610546116 1098744661 /nfs/dbraw/zinc/74/46/61/1098744661.db2.gz XDZGHRFBBMUNSX-UHFFFAOYSA-N -1 2 332.790 2.604 20 0 EFADLM O=C([O-])c1cccc(S(=O)(=O)Nc2c[nH]nc2-c2ccccc2)c1 ZINC001610850040 1098935640 /nfs/dbraw/zinc/93/56/40/1098935640.db2.gz ZQGBUWAFGJPOTP-UHFFFAOYSA-N -1 2 343.364 2.576 20 0 EFADLM O=C([O-])c1nscc1NS(=O)(=O)c1cccc(C(F)F)c1 ZINC001610873491 1098949107 /nfs/dbraw/zinc/94/91/07/1098949107.db2.gz UCCHPYSRMQBQCP-UHFFFAOYSA-N -1 2 334.325 2.580 20 0 EFADLM O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(Cl)nc1Cl ZINC000184632606 1119285414 /nfs/dbraw/zinc/28/54/14/1119285414.db2.gz KPXYMILTJILNBL-UHFFFAOYSA-N -1 2 347.179 2.887 20 0 EFADLM COc1cc(C[NH+]2CCN(C(=O)c3ccc(O)cc3)CC2)ccc1C ZINC000193737553 240125115 /nfs/dbraw/zinc/12/51/15/240125115.db2.gz MSZIYCMWTFTXHG-UHFFFAOYSA-N -1 2 340.423 2.667 20 0 EFADLM Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000069950847 203065734 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CCOC(=O)CN(CC(C)C)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000174334382 207013018 /nfs/dbraw/zinc/01/30/18/207013018.db2.gz GGIWWLKQSNMHKS-UHFFFAOYSA-N -1 2 336.413 2.778 20 0 EFADLM CC(=O)c1nc(NC[C@H](C)[N@@H+]2CCc3sccc3C2)sc1C ZINC000450246079 251313767 /nfs/dbraw/zinc/31/37/67/251313767.db2.gz ZWRKPCFOVRKNEQ-JTQLQIEISA-N -1 2 335.498 2.996 20 0 EFADLM Cc1cc(NS(=O)(=O)c2c(F)cccc2F)ccc1C(=O)[O-] ZINC000336851170 141518224 /nfs/dbraw/zinc/51/82/24/141518224.db2.gz JAZRGAQABHYDPR-UHFFFAOYSA-N -1 2 327.308 2.772 20 0 EFADLM CCc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1F ZINC000350473199 142427154 /nfs/dbraw/zinc/42/71/54/142427154.db2.gz FBUVZZPSTFPCEL-UHFFFAOYSA-N -1 2 329.374 2.949 20 0 EFADLM CC(C)c1scnc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000341214035 145014807 /nfs/dbraw/zinc/01/48/07/145014807.db2.gz QLSYPZKRHMVPBR-UHFFFAOYSA-N -1 2 326.399 2.766 20 0 EFADLM Cc1noc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000356499829 147261275 /nfs/dbraw/zinc/26/12/75/147261275.db2.gz VENJMDWXYJFPLQ-UHFFFAOYSA-N -1 2 344.776 2.752 20 0 EFADLM CCOC(=O)[C@@H]1C[N@@H+]([C@H](C)c2nc(C)cc(=O)[nH]2)Cc2ccccc21 ZINC000368459812 150122734 /nfs/dbraw/zinc/12/27/34/150122734.db2.gz WFKNKVPFKHCXLR-CZUORRHYSA-N -1 2 341.411 2.714 20 0 EFADLM CCOC(=O)[C@@H]1C[N@@H+]([C@@H](C)c2nc(C)cc(=O)[nH]2)Cc2ccccc21 ZINC000368459813 150123487 /nfs/dbraw/zinc/12/34/87/150123487.db2.gz WFKNKVPFKHCXLR-XJKSGUPXSA-N -1 2 341.411 2.714 20 0 EFADLM Cn1ccc2cccc(NS(=O)(=O)c3csc(C(=O)[O-])c3)c21 ZINC000190857309 265240818 /nfs/dbraw/zinc/24/08/18/265240818.db2.gz KBZCXMFDVYZXJG-UHFFFAOYSA-N -1 2 336.394 2.739 20 0 EFADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2ccn(C)c21 ZINC000190849618 265241102 /nfs/dbraw/zinc/24/11/02/265241102.db2.gz QWLOVPJRAIECIJ-UHFFFAOYSA-N -1 2 334.353 2.579 20 0 EFADLM COC(=O)Nc1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1F ZINC000180918665 273043657 /nfs/dbraw/zinc/04/36/57/273043657.db2.gz NWCRYUHKNTTYES-UHFFFAOYSA-N -1 2 329.291 2.528 20 0 EFADLM CCc1onc(C)c1NS(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000270427039 273095205 /nfs/dbraw/zinc/09/52/05/273095205.db2.gz NEMLNHJXLFFVDP-UHFFFAOYSA-N -1 2 338.385 2.661 20 0 EFADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc(F)c(F)c2)c1 ZINC000156257466 293503417 /nfs/dbraw/zinc/50/34/17/293503417.db2.gz IPKNXMFLEHYMTI-UHFFFAOYSA-N -1 2 345.298 2.911 20 0 EFADLM CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(F)cc(Cl)c1O ZINC000421147145 294382592 /nfs/dbraw/zinc/38/25/92/294382592.db2.gz FGLARCWCAAPVNN-SNVBAGLBSA-N -1 2 339.816 2.988 20 0 EFADLM Oc1ccc(F)c(C[NH2+]C2CCN(Cc3ccccn3)CC2)c1F ZINC000294172904 295122597 /nfs/dbraw/zinc/12/25/97/295122597.db2.gz JGDXXAWDPPMVBQ-UHFFFAOYSA-N -1 2 333.382 2.820 20 0 EFADLM C[C@H](c1cccnc1)[NH+]1CCN(Cc2c(F)ccc(O)c2F)CC1 ZINC000295358640 295306604 /nfs/dbraw/zinc/30/66/04/295306604.db2.gz NOSZSCOLLDNNPM-CYBMUJFWSA-N -1 2 333.382 2.944 20 0 EFADLM O=C([O-])CCCc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000134622537 310644561 /nfs/dbraw/zinc/64/45/61/310644561.db2.gz YIHVWZJDFBRBIU-UHFFFAOYSA-N -1 2 325.411 2.956 20 0 EFADLM 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20 0 EFADLM CCOc1ccc(S(=O)(=O)Nc2sc(C)cc2C(=O)[O-])cc1 ZINC001597137642 986876958 /nfs/dbraw/zinc/87/69/58/986876958.db2.gz NYMHQRSBISXWJG-UHFFFAOYSA-N -1 2 341.410 2.954 20 0 EFADLM CCc1ccc(C)nc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001597514626 988122172 /nfs/dbraw/zinc/12/21/72/988122172.db2.gz REUWXQAXLUGLKU-UHFFFAOYSA-N -1 2 338.360 2.591 20 0 EFADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1c(C)ccnc1CC ZINC001597703689 988942348 /nfs/dbraw/zinc/94/23/48/988942348.db2.gz VNFRALPDANFARJ-UHFFFAOYSA-N -1 2 338.385 2.607 20 0 EFADLM CCc1ncsc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC001597711977 988972924 /nfs/dbraw/zinc/97/29/24/988972924.db2.gz JJPJTEVKKWPOPK-UHFFFAOYSA-N -1 2 344.389 2.652 20 0 EFADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccnc1C1CC1 ZINC001597791158 989319674 /nfs/dbraw/zinc/31/96/74/989319674.db2.gz MLXQAHPIGIABCI-UHFFFAOYSA-N -1 2 336.369 2.613 20 0 EFADLM CCc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc2ccn(C)c21 ZINC001597791284 989321119 /nfs/dbraw/zinc/32/11/19/989321119.db2.gz 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ZINC001600301474 1094955430 /nfs/dbraw/zinc/95/54/30/1094955430.db2.gz HJGHRGKAKGHFGH-UHFFFAOYSA-N -1 2 338.385 2.914 20 0 EFADLM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)[nH]nc1C(C)C ZINC001600362551 1095003355 /nfs/dbraw/zinc/00/33/55/1095003355.db2.gz UZMLFNCKZIBDPF-UHFFFAOYSA-N -1 2 337.401 2.649 20 0 EFADLM Cc1noc(C(C)C)c1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001600805711 1095342946 /nfs/dbraw/zinc/34/29/46/1095342946.db2.gz RSFXQEUAXLPLDR-UHFFFAOYSA-N -1 2 338.385 2.914 20 0 EFADLM Cc1oc(C)c(S(=O)(=O)Nc2ncc(C(C)C)s2)c1C(=O)[O-] ZINC001600838799 1095369416 /nfs/dbraw/zinc/36/94/16/1095369416.db2.gz QXNMBTVPTWUSGB-UHFFFAOYSA-N -1 2 344.414 2.975 20 0 EFADLM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC001600906889 1095418340 /nfs/dbraw/zinc/41/83/40/1095418340.db2.gz DHRZOEAZBXWWKG-GXSJLCMTSA-N -1 2 336.285 2.677 20 0 EFADLM Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)[C@@H](F)C(F)(F)F ZINC001600906889 1095418346 /nfs/dbraw/zinc/41/83/46/1095418346.db2.gz DHRZOEAZBXWWKG-GXSJLCMTSA-N -1 2 336.285 2.677 20 0 EFADLM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)C(F)C(F)(F)F ZINC001600906899 1095419237 /nfs/dbraw/zinc/41/92/37/1095419237.db2.gz DHRZOEAZBXWWKG-MWLCHTKSSA-N -1 2 336.285 2.677 20 0 EFADLM Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)[C@@H](F)C(F)(F)F ZINC001600906899 1095419240 /nfs/dbraw/zinc/41/92/40/1095419240.db2.gz DHRZOEAZBXWWKG-MWLCHTKSSA-N -1 2 336.285 2.677 20 0 EFADLM Nc1c(NS(=O)(=O)c2cc(Cl)ccc2F)cccc1C(=O)[O-] ZINC001601209211 1095554626 /nfs/dbraw/zinc/55/46/26/1095554626.db2.gz MRFKTYSCRNPHKD-UHFFFAOYSA-N -1 2 344.751 2.560 20 0 EFADLM O=C([O-])[C@@H]1CO[C@H](CCC(=O)Nc2cc(Cl)cc(Cl)c2O)C1 ZINC001601285348 1095597181 /nfs/dbraw/zinc/59/71/81/1095597181.db2.gz XLJBHUBLQQDARP-IONNQARKSA-N -1 2 348.182 2.907 20 0 EFADLM O=C([O-])C[C@@H](NC(=O)c1cc(F)cc(Cl)c1O)C1CCCC1 ZINC001601903873 1095968426 /nfs/dbraw/zinc/96/84/26/1095968426.db2.gz IKRYGJWRORMHBD-GFCCVEGCSA-N -1 2 329.755 2.948 20 0 EFADLM O=C([O-])CCN(Cc1ccccc1)C(=O)c1cc(F)c(O)c(F)c1 ZINC001602008829 1096020924 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EFADLM C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCO[C@](C)(C(F)(F)F)C1 ZINC001603726214 1096603242 /nfs/dbraw/zinc/60/32/42/1096603242.db2.gz BRDCLADPTCGJHB-YGRLFVJLSA-N -1 2 341.337 2.581 20 0 EFADLM C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(Cl)c2)c2nccn21 ZINC001603855469 1096645525 /nfs/dbraw/zinc/64/55/25/1096645525.db2.gz IFNJWINCHOEPJB-ZANVPECISA-N -1 2 329.795 2.512 20 0 EFADLM CC(C)c1ncsc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001604019630 1096701637 /nfs/dbraw/zinc/70/16/37/1096701637.db2.gz CEUGQHFQUWRCDY-UHFFFAOYSA-N -1 2 344.389 2.905 20 0 EFADLM CCc1csc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1 ZINC001605840934 1097247022 /nfs/dbraw/zinc/24/70/22/1097247022.db2.gz MMRLJEKNWRZPSR-UHFFFAOYSA-N -1 2 326.399 2.513 20 0 EFADLM CCc1csc(NS(=O)(=O)c2c(C)csc2C(=O)[O-])n1 ZINC001605841246 1097247214 /nfs/dbraw/zinc/24/72/14/1097247214.db2.gz XXLVJNYERALJID-UHFFFAOYSA-N -1 2 332.428 2.574 20 0 EFADLM Cc1ccc(S(=O)(=O)Nc2cnn(C3CCCC3)c2)c(C(=O)[O-])c1 ZINC001607823001 1097743734 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O=C([O-])c1cc(S(=O)(=O)Nc2cnoc2C2CC2)ccc1Cl ZINC001608862438 1098047437 /nfs/dbraw/zinc/04/74/37/1098047437.db2.gz NOEKDXISOAJFDS-UHFFFAOYSA-N -1 2 342.760 2.704 20 0 EFADLM O=C([O-])c1coc(C(=O)Nc2nc(-c3ccccc3Cl)n[nH]2)c1 ZINC001608988032 1098100815 /nfs/dbraw/zinc/10/08/15/1098100815.db2.gz NJYCGXICFOQBKQ-UHFFFAOYSA-N -1 2 332.703 2.669 20 0 EFADLM C[C@@](NC(=O)c1cc(F)c(O)c(F)c1)(C(=O)[O-])c1ccc(F)cc1 ZINC001609770227 1098451526 /nfs/dbraw/zinc/45/15/26/1098451526.db2.gz RCOZZZOUWPULRB-INIZCTEOSA-N -1 2 339.269 2.539 20 0 EFADLM CCCc1csc(NS(=O)(=O)Cc2ccc(C(=O)[O-])cc2)n1 ZINC001609984545 1098513984 /nfs/dbraw/zinc/51/39/84/1098513984.db2.gz CDRSAPKZPNFXJD-UHFFFAOYSA-N -1 2 340.426 2.736 20 0 EFADLM CCCc1csc(NS(=O)(=O)c2cc(C(=O)[O-])oc2CC)n1 ZINC001609986500 1098514955 /nfs/dbraw/zinc/51/49/55/1098514955.db2.gz YOYSZTYGICHKJZ-UHFFFAOYSA-N -1 2 344.414 2.750 20 0 EFADLM COc1ccc(S(=O)(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc1 ZINC001610349658 1098632562 /nfs/dbraw/zinc/63/25/62/1098632562.db2.gz LMNLZDHVBOKMOR-UHFFFAOYSA-N -1 2 341.410 2.873 20 0 EFADLM Cc1ccc([C@H](NC(=O)c2cc(F)c(O)c(F)c2)C(=O)[O-])cc1C ZINC001610494579 1098712669 /nfs/dbraw/zinc/71/26/69/1098712669.db2.gz QYTVNHCRLRRXHG-AWEZNQCLSA-N -1 2 335.306 2.843 20 0 EFADLM Cc1nc(NS(=O)(=O)c2cccc(C)c2Cl)sc1C(=O)[O-] ZINC001610526739 1098731650 /nfs/dbraw/zinc/73/16/50/1098731650.db2.gz UPUGTGRVXNQNPD-UHFFFAOYSA-N -1 2 346.817 2.912 20 0 EFADLM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1cccc(Cl)c1O ZINC001610546390 1098744933 /nfs/dbraw/zinc/74/49/33/1098744933.db2.gz XZOBZFSKHUDCCC-UHFFFAOYSA-N -1 2 347.801 2.915 20 0 EFADLM O=C([O-])[C@H](NC(=O)c1cc(F)c(O)c(F)c1)c1cc(F)ccc1F ZINC001610679475 1098823579 /nfs/dbraw/zinc/82/35/79/1098823579.db2.gz ZZRJVHDYHVQWLQ-GFCCVEGCSA-N -1 2 343.232 2.504 20 0 EFADLM O=C([O-])c1cccc2nc(NC(=O)c3c(O)cccc3Cl)[nH]c21 ZINC001610712679 1098840327 /nfs/dbraw/zinc/84/03/27/1098840327.db2.gz LLIISPDEZJNGDA-UHFFFAOYSA-N -1 2 331.715 2.872 20 0 EFADLM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1cccc(Cl)c1O 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EFADLM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(F)c(O)c(F)c1 ZINC000263432393 304141706 /nfs/dbraw/zinc/14/17/06/304141706.db2.gz NTBONCIJGCKXHP-HJIKLVIJSA-N -1 2 325.311 2.528 20 0 EFADLM Cc1cc(C)c(S(=O)(=O)Nc2cnoc2C2CC2)cc1C(=O)[O-] ZINC000414386436 244126378 /nfs/dbraw/zinc/12/63/78/244126378.db2.gz UCKGXZAXMLYBLU-UHFFFAOYSA-N -1 2 336.369 2.668 20 0 EFADLM CCc1ccc(S(=O)(=O)Nc2cnoc2C2CC2)cc1C(=O)[O-] ZINC000414384163 244126807 /nfs/dbraw/zinc/12/68/07/244126807.db2.gz BOLVGDRLALCOJB-UHFFFAOYSA-N -1 2 336.369 2.613 20 0 EFADLM CCCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000433515521 248068527 /nfs/dbraw/zinc/06/85/27/248068527.db2.gz CETFNBLLPBHRDO-UHFFFAOYSA-N -1 2 335.381 2.844 20 0 EFADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)n[nH]2)cc1 ZINC000444421451 250300006 /nfs/dbraw/zinc/30/00/06/250300006.db2.gz UREUNOXRJRIOHV-UHFFFAOYSA-N -1 2 343.364 2.576 20 0 EFADLM CCn1nc(NS(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1C1CC1 ZINC000268564651 252027310 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600302785 /nfs/dbraw/zinc/30/27/85/600302785.db2.gz DEFIPKLRJBKPII-UHFFFAOYSA-N -1 2 338.360 2.703 20 0 EFADLM Cc1ccc(S(=O)(=O)Nc2ccnn2[C@@H](C)C2CC2)cc1C(=O)[O-] ZINC000832956702 600815256 /nfs/dbraw/zinc/81/52/56/600815256.db2.gz UTBKNVNOUZAVDA-NSHDSACASA-N -1 2 349.412 2.662 20 0 EFADLM CC(C)c1csc(NS(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC000070157105 600976005 /nfs/dbraw/zinc/97/60/05/600976005.db2.gz GEOIDAQPUUJBJL-UHFFFAOYSA-N -1 2 332.428 2.827 20 0 EFADLM CC(C)n1nccc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000827207848 600976147 /nfs/dbraw/zinc/97/61/47/600976147.db2.gz XSHWYPWBALFPET-UHFFFAOYSA-N -1 2 343.792 2.616 20 0 EFADLM CCc1csc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC000830299131 600978861 /nfs/dbraw/zinc/97/88/61/600978861.db2.gz JSAZUZIBZANEEW-UHFFFAOYSA-N -1 2 346.817 2.858 20 0 EFADLM Cc1ccnc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000832983606 600978954 /nfs/dbraw/zinc/97/89/54/600978954.db2.gz BRDCAGHWTAMBAI-UHFFFAOYSA-N -1 2 326.761 2.542 20 0 EFADLM O=C([O-])c1nscc1NS(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000833346722 601603152 /nfs/dbraw/zinc/60/31/52/601603152.db2.gz OOUCCPAOMYJIAC-UHFFFAOYSA-N -1 2 338.410 2.521 20 0 EFADLM O=C([O-])c1nscc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000833346571 601603212 /nfs/dbraw/zinc/60/32/12/601603212.db2.gz LEJRYXRUAYUIKV-UHFFFAOYSA-N -1 2 334.378 2.795 20 0 EFADLM Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccn2)c1C(=O)[O-] ZINC000832973193 601769435 /nfs/dbraw/zinc/76/94/35/601769435.db2.gz ZMYBAHDRFKYLTE-UHFFFAOYSA-N -1 2 326.761 2.542 20 0 EFADLM Cc1ccc(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)s1 ZINC000160002435 601771712 /nfs/dbraw/zinc/77/17/12/601771712.db2.gz GUDGBPPGONCRQQ-UHFFFAOYSA-N -1 2 346.455 2.721 20 0 EFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2O)c(Cl)cc1F ZINC000751202443 601830292 /nfs/dbraw/zinc/83/02/92/601830292.db2.gz MCNUDQGXKRGEBA-UHFFFAOYSA-N -1 2 345.735 2.684 20 0 EFADLM CC(C)c1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000827128966 601830313 /nfs/dbraw/zinc/83/03/13/601830313.db2.gz GNLGPJYTIMKGCK-UHFFFAOYSA-N -1 2 326.399 2.766 20 0 EFADLM CCCCc1cc(NS(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)[nH]n1 ZINC000829430600 602103241 /nfs/dbraw/zinc/10/32/41/602103241.db2.gz GNKJFHSIIZPGEB-JXMROGBWSA-N -1 2 349.412 2.651 20 0 EFADLM CSc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)cc1 ZINC000832784950 602115889 /nfs/dbraw/zinc/11/58/89/602115889.db2.gz ALJGAPPROSFPFX-UHFFFAOYSA-N -1 2 329.424 2.969 20 0 EFADLM O=C([O-])[C@H]1CC12CCN(C(=O)c1cc(F)cc(Cl)c1O)CC2 ZINC000833177177 604274902 /nfs/dbraw/zinc/27/49/02/604274902.db2.gz FHPDPLOAABGSAS-SNVBAGLBSA-N -1 2 327.739 2.512 20 0 EFADLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000833741184 605125487 /nfs/dbraw/zinc/12/54/87/605125487.db2.gz AWCVHPAWDGAXAX-UHFFFAOYSA-N -1 2 333.337 2.834 20 0 EFADLM CC(=O)c1cccc(S(=O)(=O)Nc2scc(C(=O)[O-])c2C)c1 ZINC000833403489 605125532 /nfs/dbraw/zinc/12/55/32/605125532.db2.gz LZNSXKCMLZGLCE-UHFFFAOYSA-N -1 2 339.394 2.758 20 0 EFADLM CN(C(=O)c1ccccc1O)[C@@H]1CC[N@H+](Cc2cccc(Cl)n2)C1 ZINC001032913953 1265370255 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Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccnc(C(C)(C)C)n1 ZINC001185879742 1290784248 /nfs/dbraw/zinc/78/42/48/1290784248.db2.gz SQRPLDQYHBINQO-UHFFFAOYSA-N -1 2 349.412 2.582 20 0 EFADLM O=C([O-])c1cc(S(=O)(=O)Nc2nccc3ccccc32)ccc1F ZINC001186133354 1290868606 /nfs/dbraw/zinc/86/86/06/1290868606.db2.gz KHYSTMJBNOFNCR-UHFFFAOYSA-N -1 2 346.339 2.873 20 0 EFADLM CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2cc(O)c(F)c(F)c2)C1 ZINC001232969575 1312821115 /nfs/dbraw/zinc/82/11/15/1312821115.db2.gz UBOSXRWYDAAQSV-ZDUSSCGKSA-N -1 2 326.387 2.751 20 0 EFADLM Cc1cc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)cn1 ZINC001187548749 1291189455 /nfs/dbraw/zinc/18/94/55/1291189455.db2.gz YBTSTBYYLORBFV-UHFFFAOYSA-N -1 2 340.788 2.851 20 0 EFADLM O=C([O-])c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2F)cc1 ZINC001190388930 1292143890 /nfs/dbraw/zinc/14/38/90/1292143890.db2.gz CWSIPDDSCFDDGQ-UHFFFAOYSA-N -1 2 331.271 2.603 20 0 EFADLM COC(=O)C[C@H]1CCC[C@@H](Oc2ccc(O[P@@](=O)([O-])O)cc2)C1 ZINC001234331639 1313105955 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EFADLM Oc1cccc2[nH]c(OC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)nc21 ZINC001234446752 1313130627 /nfs/dbraw/zinc/13/06/27/1313130627.db2.gz HJVKBDNJVKUUJC-OAHLLOKOSA-N -1 2 339.395 2.548 20 0 EFADLM Fc1ccc(C[NH+]2CCOCC2)cc1-c1ccc(-c2nn[nH]n2)cc1 ZINC001241446019 1314119874 /nfs/dbraw/zinc/11/98/74/1314119874.db2.gz HBKUNXOWAMWLDH-UHFFFAOYSA-N -1 2 339.374 2.505 20 0 EFADLM Cc1cc(C[N@H+]2CCCCC[C@H]2CNC(=O)c2ccccc2O)no1 ZINC000968755941 1306628868 /nfs/dbraw/zinc/62/88/68/1306628868.db2.gz HORNBFBEYYLNRJ-INIZCTEOSA-N -1 2 343.427 2.863 20 0 EFADLM Cc1conc1C[N@@H+]1CCCCC[C@@H]1CNC(=O)c1ccccc1O ZINC000968757751 1306631978 /nfs/dbraw/zinc/63/19/78/1306631978.db2.gz CKUPOQJIHJIOBN-OAHLLOKOSA-N -1 2 343.427 2.863 20 0 EFADLM O=C(N[C@H]1CC[N@H+](Cc2nc3ccccc3o2)C1)c1ccccc1O ZINC001010249070 1309053313 /nfs/dbraw/zinc/05/33/13/1309053313.db2.gz MGHRIIZXIDIJSN-ZDUSSCGKSA-N -1 2 337.379 2.538 20 0 EFADLM O=[P@]([O-])(O)c1ccc(-c2ccc(OC(F)(F)F)c(CO)c2)cc1 ZINC001244649148 1314397457 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CCCc1csc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])n1 ZINC001596074677 983389258 /nfs/dbraw/zinc/38/92/58/983389258.db2.gz HTPDKYLHBHDDDX-UHFFFAOYSA-N -1 2 344.414 2.804 20 0 EFADLM Cc1[nH]c(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1C(=O)[O-] ZINC001599961784 985795093 /nfs/dbraw/zinc/79/50/93/985795093.db2.gz BAFDDCFXCCRYGG-CQSZACIVSA-N -1 2 342.443 2.934 20 0 EFADLM CCOc1ccc(S(=O)(=O)Nc2sccc2C(=O)[O-])c(C)c1 ZINC001597137692 986878395 /nfs/dbraw/zinc/87/83/95/986878395.db2.gz TXMPLLJRPHOYAX-UHFFFAOYSA-N -1 2 341.410 2.954 20 0 EFADLM CCc1nccc(C)c1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001597702987 988935928 /nfs/dbraw/zinc/93/59/28/988935928.db2.gz JBGRXNKKZGUVEB-UHFFFAOYSA-N -1 2 338.360 2.591 20 0 EFADLM COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])s2)c(C)c1 ZINC001599616556 994022253 /nfs/dbraw/zinc/02/22/53/994022253.db2.gz FJEALYGOPWJCHO-UHFFFAOYSA-N -1 2 327.383 2.564 20 0 EFADLM COc1c(C)cc(C)cc1S(=O)(=O)Nc1sccc1C(=O)[O-] ZINC001599331152 997751115 /nfs/dbraw/zinc/75/11/15/997751115.db2.gz 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Cc1sc(C)c(S(=O)(=O)Nc2cnccc2C(=O)[O-])c1C ZINC001600876626 1095399198 /nfs/dbraw/zinc/39/91/98/1095399198.db2.gz MAFUOVYTVVRBEA-UHFFFAOYSA-N -1 2 326.399 2.567 20 0 EFADLM Cn1c(C(=O)[O-])ccc1C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC001600905866 1095418853 /nfs/dbraw/zinc/41/88/53/1095418853.db2.gz LUKJDTZDRJSYQE-UHFFFAOYSA-N -1 2 329.139 2.988 20 0 EFADLM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)C(F)C(F)(F)F ZINC001602007693 1096018552 /nfs/dbraw/zinc/01/85/52/1096018552.db2.gz NCFFGUAVYOZWIN-LLVKDONJSA-N -1 2 343.223 2.669 20 0 EFADLM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)[C@@H](F)C(F)(F)F ZINC001602007693 1096018565 /nfs/dbraw/zinc/01/85/65/1096018565.db2.gz NCFFGUAVYOZWIN-LLVKDONJSA-N -1 2 343.223 2.669 20 0 EFADLM C[C@@H](C(=O)[O-])c1ccc(NS(=O)(=O)c2ccnn2C2CCC2)cc1 ZINC001603212514 1096474610 /nfs/dbraw/zinc/47/46/10/1096474610.db2.gz BUZONJGNVGQUNW-LLVKDONJSA-N -1 2 349.412 2.597 20 0 EFADLM CC(C)O[C@H]1CCCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)C1 ZINC001603347894 1096511590 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CCc1nc(NS(=O)(=O)c2cc(C)ccc2F)sc1C(=O)[O-] ZINC001605856566 1097254526 /nfs/dbraw/zinc/25/45/26/1097254526.db2.gz TYTXMBLKQSEJJE-UHFFFAOYSA-N -1 2 344.389 2.652 20 0 EFADLM CN(Cc1ccc(C(=O)[O-])cn1)C(=O)c1cc(F)cc(Cl)c1O ZINC001606154824 1097331584 /nfs/dbraw/zinc/33/15/84/1097331584.db2.gz LGPKQASCSDEGHT-UHFFFAOYSA-N -1 2 338.722 2.550 20 0 EFADLM Cc1[nH]c(C(=O)[C@@H](C)S(=O)(=O)c2cccc(C)c2)c(C)c1C(=O)[O-] ZINC001607862673 1097758090 /nfs/dbraw/zinc/75/80/90/1097758090.db2.gz XRCXKNFTFVTXEK-GFCCVEGCSA-N -1 2 349.408 2.683 20 0 EFADLM Cc1c(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])[nH]nc1C(C)C ZINC001607863276 1097758355 /nfs/dbraw/zinc/75/83/55/1097758355.db2.gz VABUKDBSJQXCGV-UHFFFAOYSA-N -1 2 337.401 2.649 20 0 EFADLM Cc1csc(C(=O)[O-])c1S(=O)(=O)Nc1nc(C(C)(C)C)co1 ZINC001607927728 1097779222 /nfs/dbraw/zinc/77/92/22/1097779222.db2.gz MPOWSCFZRHGXQO-UHFFFAOYSA-N -1 2 344.414 2.841 20 0 EFADLM Cc1nn(CCC(=O)[O-])c(C)c1Nc1nnc(-c2ccccn2)s1 ZINC001608009480 1097803589 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O=C([O-])c1cc2cccc(NS(=O)(=O)C[C@H]3CCCO3)c2s1 ZINC001610818323 1098908318 /nfs/dbraw/zinc/90/83/18/1098908318.db2.gz CNTHQJZRKMDECU-SNVBAGLBSA-N -1 2 341.410 2.520 20 0 EFADLM O=C([O-])c1ccc2c(c1)CN(C(=O)c1c(O)cc(F)cc1F)CC2 ZINC001610843133 1098928382 /nfs/dbraw/zinc/92/83/82/1098928382.db2.gz SEWYNNYLBVNRPI-UHFFFAOYSA-N -1 2 333.290 2.567 20 0 EFADLM C[C@@H]1[C@@H](NC(=O)c2ccccc2O)CC[N@H+]1Cc1cccc(Cl)n1 ZINC001088471348 1103830232 /nfs/dbraw/zinc/83/02/32/1103830232.db2.gz HFYVRAWDJAJELP-DOMZBBRYSA-N -1 2 345.830 2.833 20 0 EFADLM CCCN(CC(=O)[O-])C(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O ZINC000184883172 283111345 /nfs/dbraw/zinc/11/13/45/283111345.db2.gz KOZDGOJXURQOCJ-UHFFFAOYSA-N -1 2 345.399 2.638 20 0 EFADLM O=C([O-])c1cccc(NS(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000037462896 213147773 /nfs/dbraw/zinc/14/77/73/213147773.db2.gz XRZQIQVPJNLSKZ-UHFFFAOYSA-N -1 2 329.736 2.978 20 0 EFADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000261784929 240325198 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O=[P@]([O-])(O)c1ccc(-c2ccc(OC(F)(F)F)cc2O)cc1 ZINC001244466992 1314383491 /nfs/dbraw/zinc/38/34/91/1314383491.db2.gz IOKICXLIQYZUBE-UHFFFAOYSA-N -1 2 334.186 2.761 20 0 EFADLM O=[P@@]([O-])(O)c1ccc(-c2ccc(OC(F)(F)F)cc2O)cc1 ZINC001244466992 1314383493 /nfs/dbraw/zinc/38/34/93/1314383493.db2.gz IOKICXLIQYZUBE-UHFFFAOYSA-N -1 2 334.186 2.761 20 0 EFADLM CC[C@H](COC)Oc1cc(O)ccc1C(=O)c1ccc(O)cc1O ZINC001228121560 1311902860 /nfs/dbraw/zinc/90/28/60/1311902860.db2.gz DYZIOAZYBVEMTO-CYBMUJFWSA-N -1 2 332.352 2.838 20 0 EFADLM C[C@@H]1C[C@H](Oc2cc(O)ccc2C(=O)c2ccc(O)cc2O)CCO1 ZINC001228121577 1311902955 /nfs/dbraw/zinc/90/29/55/1311902955.db2.gz FKDVZNSJJSRKDO-BXUZGUMPSA-N -1 2 344.363 2.981 20 0 EFADLM C[C@@H](c1ccccn1)[N@@H+]1CCC[C@@H](Oc2[nH]c(=O)ncc2Cl)C1 ZINC001228482746 1311953848 /nfs/dbraw/zinc/95/38/48/1311953848.db2.gz PUCNFKNWGUTXAV-NWDGAFQWSA-N -1 2 334.807 2.835 20 0 EFADLM COc1ccc(C2=NN(c3cccc(S(=O)(=O)[O-])c3)C(=O)C2)cc1 ZINC001245920487 1314549612 /nfs/dbraw/zinc/54/96/12/1314549612.db2.gz RTSMDTXOVCFZSW-UHFFFAOYSA-N -1 2 346.364 2.500 20 0 EFADLM C[C@@H]1C[C@H]([NH2+]CCCC[P@@](=O)([O-])O)CC[NH+]1Cc1ccccc1 ZINC001256530837 1315951898 /nfs/dbraw/zinc/95/18/98/1315951898.db2.gz PXGSTRYFZGXFAP-NVXWUHKLSA-N -1 2 340.404 2.587 20 0 EFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)nc2)c(F)cc1Cl ZINC001259213327 1316221335 /nfs/dbraw/zinc/22/13/35/1316221335.db2.gz NEKJJTFKSYFTFI-UHFFFAOYSA-N -1 2 348.714 2.512 20 0 EFADLM Cc1ccsc1S(=O)(=O)[N-]c1ccc(-n2ccc(=O)[nH]2)cc1 ZINC001260069518 1316313059 /nfs/dbraw/zinc/31/30/59/1316313059.db2.gz HGGIZEMLXFQGMJ-UHFFFAOYSA-N -1 2 335.410 2.749 20 0 EFADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)s2)ccc1O ZINC001260393451 1316337084 /nfs/dbraw/zinc/33/70/84/1316337084.db2.gz JGWWHFKHIAVOFA-UHFFFAOYSA-N -1 2 333.774 2.606 20 0 EFADLM Cc1cnc(C)c(NS(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)n1 ZINC001260867389 1316374305 /nfs/dbraw/zinc/37/43/05/1316374305.db2.gz WEWHDPOFLMWDAP-UHFFFAOYSA-N -1 2 348.211 2.907 20 0 EFADLM Cc1nsc(NS(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)n1 ZINC001260867148 1316374463 /nfs/dbraw/zinc/37/44/63/1316374463.db2.gz PRUQETKQYRPIFX-UHFFFAOYSA-N -1 2 340.213 2.660 20 0 EFADLM CCc1nc(C[N@@H+](C)[C@@H]2CCN(C(=O)c3ccccc3O)C2)cs1 ZINC000971104850 714359546 /nfs/dbraw/zinc/35/95/46/714359546.db2.gz KDKYMPWECGLBRE-CQSZACIVSA-N -1 2 345.468 2.758 20 0 EFADLM Cc1cnc([C@H](C)[N@@H+](C)[C@H]2CCN(C(=O)c3ccccc3O)C2)o1 ZINC000971108160 714363627 /nfs/dbraw/zinc/36/36/27/714363627.db2.gz JAHHRNQSOVFHTJ-KBPBESRZSA-N -1 2 329.400 2.596 20 0 EFADLM Oc1ccc(C[NH+]2CCN(c3nccc4nc[nH]c43)CC2)cc1Cl ZINC000894997739 723048097 /nfs/dbraw/zinc/04/80/97/723048097.db2.gz ZLGFWLYCOAYREO-UHFFFAOYSA-N -1 2 343.818 2.639 20 0 EFADLM