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([N-]S(=O)(=O)c2cc(F)ccc2F)cc1F ZINC000321965449 970831287 /nfs/dbraw/zinc/83/12/87/970831287.db2.gz HGTGAFBIPDMGPQ-UHFFFAOYSA-N -2 0 349.261 2.742 20 0 EFADRL Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)[O-])nc2)c1C ZINC000322724169 970923199 /nfs/dbraw/zinc/92/31/99/970923199.db2.gz RRSFLTWEUIJSMW-UHFFFAOYSA-N -2 0 334.397 2.814 20 0 EFADRL O=C([O-])CCC1CCN(C(=O)c2ccc3oc(=S)[n-]c3c2)CC1 ZINC001601977762 971102569 /nfs/dbraw/zinc/10/25/69/971102569.db2.gz VXRDYSZYXAAAGL-UHFFFAOYSA-N -2 0 334.397 2.834 20 0 EFADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)n[nH]1 ZINC000325633761 971232905 /nfs/dbraw/zinc/23/29/05/971232905.db2.gz XJUFSZUYMBEXOA-TWGQIWQCSA-N -2 0 349.412 2.606 20 0 EFADRL O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1cc(F)c(F)c([O-])c1F ZINC000326245796 971276292 /nfs/dbraw/zinc/27/62/92/971276292.db2.gz 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O=C([O-])c1c(NC(=O)c2cccc(F)c2[O-])sc2c1COCC2 ZINC001594822565 953914012 /nfs/dbraw/zinc/91/40/12/953914012.db2.gz ZWRSSEQEFAZDCE-UHFFFAOYSA-N -2 0 337.328 2.616 20 0 EFADRL O=C([O-])C1(C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)CC=CC1 ZINC001594867969 954323502 /nfs/dbraw/zinc/32/35/02/954323502.db2.gz WPUKNXVPICKJSZ-UHFFFAOYSA-N -2 0 329.274 2.674 20 0 EFADRL CN(CCC(=O)[O-])C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001593738682 954347718 /nfs/dbraw/zinc/34/77/18/954347718.db2.gz HODFUZPIFAOTKD-UHFFFAOYSA-N -2 0 327.336 2.599 20 0 EFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000386257832 972039816 /nfs/dbraw/zinc/03/98/16/972039816.db2.gz XKJQLDXJNXHYPS-UHFFFAOYSA-N -2 0 334.378 2.795 20 0 EFADRL O=C([O-])[C@H]1CCN(C(=O)c2n[n-]c3ccccc3c2=O)c2ccccc21 ZINC001594932581 954824006 /nfs/dbraw/zinc/82/40/06/954824006.db2.gz CUXFXHZSXSNFDZ-LBPRGKRZSA-N -2 0 349.346 2.554 20 0 EFADRL C[C@H](NC(=O)c1ccc(Cl)c([O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589117530 956104543 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Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000226465450 959879313 /nfs/dbraw/zinc/87/93/13/959879313.db2.gz LLYZJNHEWRMMLY-UHFFFAOYSA-N -2 0 332.790 2.604 20 0 EFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccn2)cc1Cl ZINC000236465020 960640040 /nfs/dbraw/zinc/64/00/40/960640040.db2.gz BZQIGKMLWKTLSR-UHFFFAOYSA-N -2 0 347.179 2.887 20 0 EFADRL CC(C)C[C@@H](NC(=O)c1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC001588886318 962176130 /nfs/dbraw/zinc/17/61/30/962176130.db2.gz JUGHJGFLCARUER-SNVBAGLBSA-N -2 0 348.168 2.523 20 0 EFADRL C[C@@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@H]1CC(=O)[O-] ZINC001571202828 962382773 /nfs/dbraw/zinc/38/27/73/962382773.db2.gz QWBHSWDNVIOZED-HTQZYQBOSA-N -2 0 332.183 2.882 20 0 EFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3ncccc23)s1 ZINC000314497851 963761599 /nfs/dbraw/zinc/76/15/99/963761599.db2.gz SNYLSLRKFRQGPY-UHFFFAOYSA-N -2 0 334.378 2.795 20 0 EFADRL C[C@](NC(=O)c1ccc2oc(=S)[n-]c2c1)(C(=O)[O-])c1ccccc1 ZINC001589116812 969917977 /nfs/dbraw/zinc/91/79/77/969917977.db2.gz MKSMTPGZWBVYFU-QGZVFWFLSA-N -2 0 342.376 2.846 20 0 EFADRL COCc1ccccc1[N-]S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC000318599593 970451690 /nfs/dbraw/zinc/45/16/90/970451690.db2.gz TXKOPLHMWLXEKT-UHFFFAOYSA-N -2 0 341.410 2.702 20 0 EFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)c1C(=O)[O-] ZINC000319630715 970554520 /nfs/dbraw/zinc/55/45/20/970554520.db2.gz PJQLQMHCYKRKOL-UHFFFAOYSA-N -2 0 339.369 2.718 20 0 EFADRL O=C([O-])CN(C(=O)c1cc(F)c(F)c([O-])c1F)c1ccccc1 ZINC000319633159 970556669 /nfs/dbraw/zinc/55/66/69/970556669.db2.gz CCDFIAIVNZRECO-UHFFFAOYSA-N -2 0 325.242 2.541 20 0 EFADRL Cc1nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])oc3C)ccc2o1 ZINC000320225405 970633182 /nfs/dbraw/zinc/63/31/82/970633182.db2.gz CYYUEICHLOWPPM-UHFFFAOYSA-N -2 0 336.325 2.537 20 0 EFADRL Cc1cc(C=O)c([O-])c(C(=O)Nc2cccc(CCC(=O)[O-])c2)c1 ZINC001605163720 972855740 /nfs/dbraw/zinc/85/57/40/972855740.db2.gz DDZSYIYUYHRYGG-UHFFFAOYSA-N -2 0 327.336 2.783 20 0 EFADRL O=C([O-])[C@H]1CN(C(=O)c2cccc(Cl)c2[O-])Cc2ccccc21 ZINC001606041161 973142231 /nfs/dbraw/zinc/14/22/31/973142231.db2.gz DULHEARDPUFCQW-ZDUSSCGKSA-N -2 0 331.755 2.870 20 0 EFADRL O=C([O-])Cc1cccc([N-]S(=O)(=O)c2sccc2Cl)c1 ZINC001606313102 973730025 /nfs/dbraw/zinc/73/00/25/973730025.db2.gz PUCYYGUYMPPVSH-UHFFFAOYSA-N -2 0 331.802 2.829 20 0 EFADRL O=C([O-])Cc1ccccc1NC(=O)c1cc(F)c(F)cc1C(=O)[O-] ZINC001606320510 973737391 /nfs/dbraw/zinc/73/73/91/973737391.db2.gz JRLGFXPXNUCJSH-UHFFFAOYSA-N -2 0 335.262 2.542 20 0 EFADRL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC001591761167 975847149 /nfs/dbraw/zinc/84/71/49/975847149.db2.gz HWYYOGZFXPIJSN-QWHCGFSZSA-N -2 0 347.367 2.778 20 0 EFADRL CC(C)Oc1ccc(C(=O)[O-])cc1NCc1cc(C(=O)[O-])n(C)c1 ZINC001591772921 975909425 /nfs/dbraw/zinc/90/94/25/975909425.db2.gz PFJXGXHFDKNZGV-UHFFFAOYSA-N -2 0 332.356 2.821 20 0 EFADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2cccc(Br)c2)c1 ZINC000694211989 976684179 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EFADRL C[C@@H](Cc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1)C(=O)[O-] ZINC001592872154 979727817 /nfs/dbraw/zinc/72/78/17/979727817.db2.gz FGZNVSSVXZAVAL-GLQYFDAESA-N -2 0 331.368 2.555 20 0 EFADRL O=C([O-])Cc1ccc(-n2[n-]c(C3CC3)c(C(F)(F)F)c2=O)cc1 ZINC000899356915 980228344 /nfs/dbraw/zinc/22/83/44/980228344.db2.gz WWFMSBVDZULULJ-GFCCVEGCSA-N -2 0 326.274 2.605 20 0 EFADRL CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc(C(=O)[O-])c2C)C1 ZINC001595367801 980819592 /nfs/dbraw/zinc/81/95/92/980819592.db2.gz BYCIQYKLRSQKFZ-QGZVFWFLSA-N -2 0 334.372 2.802 20 0 EFADRL CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001595570886 981477031 /nfs/dbraw/zinc/47/70/31/981477031.db2.gz KMTAGGTWAJPDFF-SECBINFHSA-N -2 0 347.820 2.669 20 0 EFADRL CC[C@@H](C(=O)[O-])C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC001594758057 981683578 /nfs/dbraw/zinc/68/35/78/981683578.db2.gz WPQODWGLVGZVDK-ZCFIWIBFSA-N -2 0 336.569 2.857 20 0 EFADRL CCCCC1CCC(C(=O)[N-]S(=O)(=O)[C@H](C)[C@@H](C)C(=O)[O-])CC1 ZINC001595660649 982072597 /nfs/dbraw/zinc/07/25/97/982072597.db2.gz LKHZHQMFZXFZDX-IWMBGFJWSA-N -2 0 347.477 2.538 20 0 EFADRL CCCOc1ccc(C(=O)[O-])cc1NCc1cc(C(=O)[O-])n(C)c1 ZINC001595954282 983136371 /nfs/dbraw/zinc/13/63/71/983136371.db2.gz BLJZCSBJGJPNOH-UHFFFAOYSA-N -2 0 332.356 2.822 20 0 EFADRL CCCc1csc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])n1 ZINC001596074982 983392189 /nfs/dbraw/zinc/39/21/89/983392189.db2.gz YKKLTJRODAMYPQ-UHFFFAOYSA-N -2 0 340.426 2.903 20 0 EFADRL CCCc1nc(C)c([N-]S(=O)(=O)c2ccsc2C(=O)[O-])s1 ZINC001596089234 983411596 /nfs/dbraw/zinc/41/15/96/983411596.db2.gz FCVYTPTTWCJIFK-UHFFFAOYSA-N -2 0 346.455 2.965 20 0 EFADRL CCN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)[C@H](C)C(=O)[O-] ZINC001596378673 983897939 /nfs/dbraw/zinc/89/79/39/983897939.db2.gz ZBBZPOQXJIULGM-SNVBAGLBSA-N -2 0 334.397 2.803 20 0 EFADRL C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CC[C@@H]1C(=O)[O-] ZINC001594481663 985530784 /nfs/dbraw/zinc/53/07/84/985530784.db2.gz YJGLRKJXOOALTB-SCZZXKLOSA-N -2 0 340.763 2.613 20 0 EFADRL Cc1[nH]c(C([O-])=CS(=O)(=O)CC2CCCCC2)c(C)c1C(=O)[O-] ZINC001599947812 985558211 /nfs/dbraw/zinc/55/82/11/985558211.db2.gz PSAMGPYSMIXSMD-UHFFFAOYSA-N -2 0 341.429 2.508 20 0 EFADRL CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001589255360 985891465 /nfs/dbraw/zinc/89/14/65/985891465.db2.gz SJJUVWBPTJLAFA-UHFFFAOYSA-N -2 0 347.392 2.626 20 0 EFADRL CCc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cnn(C2CCC2)c1 ZINC001597465467 987904271 /nfs/dbraw/zinc/90/42/71/987904271.db2.gz HFDZUWDQBRWOAC-UHFFFAOYSA-N -2 0 349.412 2.670 20 0 EFADRL CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)cc1Cl ZINC001597556175 988285822 /nfs/dbraw/zinc/28/58/22/988285822.db2.gz JJHFVSBMADZULO-UHFFFAOYSA-N -2 0 340.788 2.796 20 0 EFADRL CCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1F ZINC001597556338 988288780 /nfs/dbraw/zinc/28/87/80/988288780.db2.gz LXOTWQZQAAOOLN-UHFFFAOYSA-N -2 0 329.374 2.949 20 0 EFADRL CCc1ccc(S(=O)(=O)[N-]c2nc(CC)c(C(=O)[O-])s2)s1 ZINC001597562829 988310174 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/nfs/dbraw/zinc/95/37/02/977953702.db2.gz YGBSEWMBLPAEJQ-ZETCQYMHSA-N -2 0 344.161 2.587 20 0 EFADRL C[C@H](CCC(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001592477636 978245312 /nfs/dbraw/zinc/24/53/12/978245312.db2.gz LZSKGIHWIUURSM-SECBINFHSA-N -2 0 347.458 2.714 20 0 EFADRL C[C@H](CN(C(=O)c1cccc(C(F)(F)F)c1[O-])C1CC1)C(=O)[O-] ZINC001592562704 978450741 /nfs/dbraw/zinc/45/07/41/978450741.db2.gz IHFDKYNWKWUBKK-MRVPVSSYSA-N -2 0 331.290 2.736 20 0 EFADRL C[C@@H](CN(C)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-])C(=O)[O-] ZINC001592576158 978482955 /nfs/dbraw/zinc/48/29/55/978482955.db2.gz UDXXHDZMNBJVDO-QMMMGPOBSA-N -2 0 342.417 2.928 20 0 EFADRL C[C@H](CN(C)C(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)C(=O)[O-] ZINC001592576362 978483828 /nfs/dbraw/zinc/48/38/28/978483828.db2.gz VXBPITVHKNOAJN-MRVPVSSYSA-N -2 0 340.401 2.510 20 0 EFADRL CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000783876387 978794486 /nfs/dbraw/zinc/79/44/86/978794486.db2.gz HQLCDHUTFFJNOZ-UHFFFAOYSA-N -2 0 337.328 2.527 20 0 EFADRL CC(C)c1scnc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000808128782 978851871 /nfs/dbraw/zinc/85/18/71/978851871.db2.gz GPFIGTUDKKOMMX-UHFFFAOYSA-N -2 0 344.389 2.905 20 0 EFADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000830049460 979011575 /nfs/dbraw/zinc/01/15/75/979011575.db2.gz CJDZKAVTVUAXEC-UHFFFAOYSA-N -2 0 343.332 2.625 20 0 EFADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)cc1C ZINC001595024183 979125531 /nfs/dbraw/zinc/12/55/31/979125531.db2.gz QBUHKWQZKYFMJV-SECBINFHSA-N -2 0 341.389 2.563 20 0 EFADRL O=C([O-])c1cc(F)ccc1COC(=O)c1c(F)cc([O-])cc1F ZINC000833298879 979144121 /nfs/dbraw/zinc/14/41/21/979144121.db2.gz GMYDJNNHHJHNSY-UHFFFAOYSA-N -2 0 326.226 2.865 20 0 EFADRL CCC(CC)(CNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1)C(=O)[O-] ZINC001595070398 979338970 /nfs/dbraw/zinc/33/89/70/979338970.db2.gz QIIJDLCMVBZUNP-UHFFFAOYSA-N -2 0 347.371 2.879 20 0 EFADRL C[C@H](Cc1ccc(NC(=O)NCCC(C)(C)C(=O)[O-])cc1)C(=O)[O-] ZINC001592872658 979730886 /nfs/dbraw/zinc/73/08/86/979730886.db2.gz NJZJXZMVSKQGTO-LLVKDONJSA-N -2 0 336.388 2.572 20 0 EFADRL CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)n[nH]1 ZINC001595578665 981502232 /nfs/dbraw/zinc/50/22/32/981502232.db2.gz GQLSHMWNVPFQFB-MRVPVSSYSA-N -2 0 341.389 2.714 20 0 EFADRL CC[C@](C)(CC(=O)[O-])C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001594815883 981947195 /nfs/dbraw/zinc/94/71/95/981947195.db2.gz SVGFXFHFGCTYPI-OAHLLOKOSA-N -2 0 325.386 2.936 20 0 EFADRL CCCCC1CCC(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@@H](C)C(=O)[O-])CC1 ZINC001595660650 982072383 /nfs/dbraw/zinc/07/23/83/982072383.db2.gz LKHZHQMFZXFZDX-KBHBFKLGSA-N -2 0 347.477 2.538 20 0 EFADRL CCCCC[C@@H](C)CC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001595666249 982097912 /nfs/dbraw/zinc/09/79/12/982097912.db2.gz GVTYVCOVSNXPMT-CZJPOVKDSA-N -2 0 339.432 2.617 20 0 EFADRL CC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1)C(F)(F)F ZINC001594853088 982106817 /nfs/dbraw/zinc/10/68/17/982106817.db2.gz HDHNFPXUXBTSIO-VIFPVBQESA-N -2 0 349.714 2.641 20 0 EFADRL CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595669431 982114028 /nfs/dbraw/zinc/11/40/28/982114028.db2.gz HVPCMTYTLIGGTG-NSHDSACASA-N -2 0 345.417 2.698 20 0 EFADRL CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001595670694 982120215 /nfs/dbraw/zinc/12/02/15/982120215.db2.gz UDIOMFPQDAZFDA-JTQLQIEISA-N -2 0 347.458 2.858 20 0 EFADRL CCCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001595781149 982559762 /nfs/dbraw/zinc/55/97/62/982559762.db2.gz RYZBRWZFYGOVMS-UHFFFAOYSA-N -2 0 339.369 2.958 20 0 EFADRL CC[C@@H](C)N(CC(=O)[O-])C(=O)c1cc(Br)c(F)cc1[O-] ZINC001594975518 982750476 /nfs/dbraw/zinc/75/04/76/982750476.db2.gz MVTHRPZBCRHFMC-SSDOTTSWSA-N -2 0 348.168 2.619 20 0 EFADRL CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc(Br)c(F)cc1[O-] ZINC001594975519 982750595 /nfs/dbraw/zinc/75/05/95/982750595.db2.gz MVTHRPZBCRHFMC-ZETCQYMHSA-N -2 0 348.168 2.619 20 0 EFADRL CCCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c(C)c1 ZINC001595966380 983172799 /nfs/dbraw/zinc/17/27/99/983172799.db2.gz JKHVZUJGUNIFSA-UHFFFAOYSA-N -2 0 339.369 2.876 20 0 EFADRL CCCc1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n1 ZINC001596074713 983390058 /nfs/dbraw/zinc/39/00/58/983390058.db2.gz JKUYZHSVTMXPPW-UHFFFAOYSA-N -2 0 332.428 2.656 20 0 EFADRL CCCc1cnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)s1 ZINC001596082634 983401841 /nfs/dbraw/zinc/40/18/41/983401841.db2.gz UPGKTNLKFXRLEQ-UHFFFAOYSA-N -2 0 340.426 2.903 20 0 EFADRL CCCc1nc(C)c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])s1 ZINC001596089514 983412881 /nfs/dbraw/zinc/41/28/81/983412881.db2.gz IHTYBLIMYDLXKZ-UHFFFAOYSA-N -2 0 340.426 2.903 20 0 EFADRL C[C@H]1CN(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC001594479339 985514796 /nfs/dbraw/zinc/51/47/96/985514796.db2.gz VXTLQZADYUAZQX-WCBMZHEXSA-N -2 0 340.763 2.613 20 0 EFADRL CC(=O)c1cc(F)c([O-])c(NC(=O)c2cccc(CC(=O)[O-])c2)c1 ZINC001589270491 985961522 /nfs/dbraw/zinc/96/15/22/985961522.db2.gz AZFGAYRRWXKBLJ-UHFFFAOYSA-N -2 0 331.299 2.613 20 0 EFADRL CC(=O)c1cc(F)c([O-])c(NC(=O)c2ccc(C=CC(=O)[O-])o2)c1 ZINC001589270625 985962809 /nfs/dbraw/zinc/96/28/09/985962809.db2.gz CXAPPJMMTMWKOR-HWKANZROSA-N -2 0 333.271 2.677 20 0 EFADRL CC(=O)c1cc(F)c([O-])c(NC(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC001589271188 985970876 /nfs/dbraw/zinc/97/08/76/985970876.db2.gz ROACWRWSOLOTJT-UHFFFAOYSA-N -2 0 331.299 2.993 20 0 EFADRL CC(=O)c1ccc([O-])c(NC(=O)c2ccccc2CCC(=O)[O-])c1 ZINC001589290968 986032241 /nfs/dbraw/zinc/03/22/41/986032241.db2.gz JKKRBNUPTHSMSF-UHFFFAOYSA-N -2 0 327.336 2.864 20 0 EFADRL CCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1CC ZINC001597179769 987039061 /nfs/dbraw/zinc/03/90/61/987039061.db2.gz HJOVGTXZIMYWCP-UHFFFAOYSA-N -2 0 339.369 2.740 20 0 EFADRL CCC(=O)c1ccc([O-])c(NC(=O)C=Cc2cc(C(=O)[O-])co2)c1 ZINC001594721097 987202813 /nfs/dbraw/zinc/20/28/13/987202813.db2.gz OEDMAHRAHPQUGM-GQCTYLIASA-N -2 0 329.308 2.928 20 0 EFADRL CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC001589597748 987416810 /nfs/dbraw/zinc/41/68/10/987416810.db2.gz BEVQIYVKCHHUMK-HNNXBMFYSA-N -2 0 341.363 2.967 20 0 EFADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)NCCCCCC(=O)[O-])cc1 ZINC001589637443 987555974 /nfs/dbraw/zinc/55/59/74/987555974.db2.gz AMAHUGWXKPNXNI-UHFFFAOYSA-N -2 0 336.388 2.815 20 0 EFADRL CCc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccnn1C1CCC1 ZINC001597466576 987915086 /nfs/dbraw/zinc/91/50/86/987915086.db2.gz ZMKFNDBQOKGDQC-UHFFFAOYSA-N -2 0 349.412 2.670 20 0 EFADRL CC(C)(C)[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001589728858 987936796 /nfs/dbraw/zinc/93/67/96/987936796.db2.gz POHASMYALBBDRV-QWRGUYRKSA-N -2 0 344.433 2.504 20 0 EFADRL CC(C)(C)CC[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC001589766519 988112713 /nfs/dbraw/zinc/11/27/13/988112713.db2.gz HQFQWNHPRMNKSD-CQSZACIVSA-N -2 0 335.400 2.713 20 0 EFADRL CCc1ccc(C)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001597514800 988123435 /nfs/dbraw/zinc/12/34/35/988123435.db2.gz UAANREWTQGMXLD-UHFFFAOYSA-N -2 0 344.776 2.698 20 0 EFADRL CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001589839393 988324855 /nfs/dbraw/zinc/32/48/55/988324855.db2.gz BUUSCLTXJJIUQO-UHFFFAOYSA-N -2 0 349.412 2.791 20 0 EFADRL CSc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1C(=O)[O-] ZINC001599816468 988433594 /nfs/dbraw/zinc/43/35/94/988433594.db2.gz XPWBXPIAKFRKBH-UHFFFAOYSA-N -2 0 325.386 2.936 20 0 EFADRL CSc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1C(=O)[O-] ZINC001599819247 988482541 /nfs/dbraw/zinc/48/25/41/988482541.db2.gz LXWDWVVESYBFRY-MNOVXSKESA-N -2 0 335.381 2.712 20 0 EFADRL CSc1ccc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])nc1 ZINC001599820696 988509118 /nfs/dbraw/zinc/50/91/18/988509118.db2.gz JDFLWLQDQYMQFA-UHFFFAOYSA-N -2 0 344.439 2.672 20 0 EFADRL CCc1nc([N-]S(=O)(=O)c2sccc2C)sc1C(=O)[O-] ZINC001597685410 988834560 /nfs/dbraw/zinc/83/45/60/988834560.db2.gz OOHINUQJNFZXKR-UHFFFAOYSA-N -2 0 332.428 2.574 20 0 EFADRL CCc1ncc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2C)s1 ZINC001597702849 988933563 /nfs/dbraw/zinc/93/35/63/988933563.db2.gz ONLUPRISYFSEDZ-UHFFFAOYSA-N -2 0 344.389 2.652 20 0 EFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1O ZINC001597785674 989305439 /nfs/dbraw/zinc/30/54/39/989305439.db2.gz MMUDQWHEWJWKAQ-UHFFFAOYSA-N -2 0 345.760 2.700 20 0 EFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC001597785918 989307937 /nfs/dbraw/zinc/30/79/37/989307937.db2.gz UGQGKCOULUDEFI-UHFFFAOYSA-N -2 0 331.296 2.619 20 0 EFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(C)n[nH]c2c1 ZINC001597790708 989313653 /nfs/dbraw/zinc/31/36/53/989313653.db2.gz HDPHKTJUDKGMHU-UHFFFAOYSA-N -2 0 349.368 2.526 20 0 EFADRL CC(C)(SCC(=O)[O-])C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001590906733 990869795 /nfs/dbraw/zinc/86/97/95/990869795.db2.gz BGXPHRVQPVFTTM-UHFFFAOYSA-N -2 0 331.777 2.573 20 0 EFADRL CC(C)[C@@H](CNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)C(=O)[O-] ZINC001590987953 991176736 /nfs/dbraw/zinc/17/67/36/991176736.db2.gz CENJAKRDBJGULF-SECBINFHSA-N -2 0 346.742 2.656 20 0 EFADRL CC(C)CCc1ccc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])cn2)cc1 ZINC001591266297 992178427 /nfs/dbraw/zinc/17/84/27/992178427.db2.gz AVMHFPUZDITUEC-UHFFFAOYSA-N -2 0 349.412 2.564 20 0 EFADRL CC(C)C[C@H](CNC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)CC(=O)[O-] ZINC001591448280 992550730 /nfs/dbraw/zinc/55/07/30/992550730.db2.gz HARIDHJSRKFGGR-LBPRGKRZSA-N -2 0 348.399 2.547 20 0 EFADRL CN(Cc1ccc(C(=O)[O-])cn1)C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC001598517135 992629994 /nfs/dbraw/zinc/62/99/94/992629994.db2.gz XARFXILNFYIPTR-UHFFFAOYSA-N -2 0 338.722 2.550 20 0 EFADRL COc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c(C(=O)[O-])c1 ZINC001599589303 993656804 /nfs/dbraw/zinc/65/68/04/993656804.db2.gz FMINVSIHOFOSPV-CYBMUJFWSA-N -2 0 343.335 2.590 20 0 EFADRL C[C@@H](NC(=O)Nc1ccsc1C(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593125269 993861154 /nfs/dbraw/zinc/86/11/54/993861154.db2.gz XMFYVXXQHZQTQZ-HRDYMLBCSA-N -2 0 340.401 2.703 20 0 EFADRL C[C@@H](NC(=O)c1cccc(F)c1[O-])[C@@H](Cc1ccccc1)C(=O)[O-] ZINC001593175703 994048515 /nfs/dbraw/zinc/04/85/15/994048515.db2.gz XEOXPPKTQXIVNZ-BXUZGUMPSA-N -2 0 331.343 2.593 20 0 EFADRL C[C@H](Oc1ccc(NC(=O)c2c([O-])cccc2F)cc1F)C(=O)[O-] ZINC001593631781 995917472 /nfs/dbraw/zinc/91/74/72/995917472.db2.gz MBQATFMNIFINBU-QMMMGPOBSA-N -2 0 337.278 2.775 20 0 EFADRL C[C@@H](S[C@H](C)C(=O)Nc1cccc(C(=O)[O-])c1Cl)C(=O)[O-] ZINC001593658272 996031277 /nfs/dbraw/zinc/03/12/77/996031277.db2.gz CGCFWSKHOVTSKG-RNFRBKRXSA-N -2 0 331.777 2.572 20 0 EFADRL C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1cccc(C(=O)[O-])c1Cl ZINC001593658273 996031567 /nfs/dbraw/zinc/03/15/67/996031567.db2.gz CGCFWSKHOVTSKG-RQJHMYQMSA-N -2 0 331.777 2.572 20 0 EFADRL C[C@@H](Sc1ccc(NCc2cc(C(=O)[O-])n(C)c2)cc1)C(=O)[O-] ZINC001593667293 996056697 /nfs/dbraw/zinc/05/66/97/996056697.db2.gz MSZLIJTYFCXLGN-SNVBAGLBSA-N -2 0 334.397 2.901 20 0 EFADRL CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC001593790197 996505689 /nfs/dbraw/zinc/50/56/89/996505689.db2.gz QKJAEXZQNQIHMG-UHFFFAOYSA-N -2 0 340.763 2.757 20 0 EFADRL COc1cc(C2(C(=O)[N-]OCCCC(=O)[O-])CCCC2)ccc1C ZINC001599395582 997119341 /nfs/dbraw/zinc/11/93/41/997119341.db2.gz PFXAOKXJJZDHSC-UHFFFAOYSA-N -2 0 335.400 2.728 20 0 EFADRL C[C@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])[C@H](C(=O)[O-])C1 ZINC001594411835 999537433 /nfs/dbraw/zinc/53/74/33/999537433.db2.gz YBJCACVDQCLKJR-KWQFWETISA-N -2 0 331.290 2.736 20 0 EFADRL COc1ccc(Nc2cc(C)cc(C(=O)[O-])c2)c(S(=O)(=O)[O-])c1 ZINC001211547612 1092873553 /nfs/dbraw/zinc/87/35/53/1092873553.db2.gz UUMLAHRCMSYOAE-UHFFFAOYSA-N -2 0 337.353 2.692 20 0 EFADRL COCc1nc(NC(=O)c2ccc([O-])c(Cl)c2)sc1C(=O)[O-] ZINC001599302484 1094694751 /nfs/dbraw/zinc/69/47/51/1094694751.db2.gz YYBRKRZYNLJPNG-UHFFFAOYSA-N -2 0 342.760 2.599 20 0 EFADRL Cc1c([N-]S(=O)(=O)c2ccccc2F)ccc(F)c1C(=O)[O-] ZINC001600055164 1094743928 /nfs/dbraw/zinc/74/39/28/1094743928.db2.gz YBRZIAMQKPJNBT-UHFFFAOYSA-N -2 0 327.308 2.772 20 0 EFADRL Cc1cc([N-]S(=O)(=O)c2cccc3c(C)ccnc32)c(C(=O)[O-])[nH]1 ZINC001600283896 1094944308 /nfs/dbraw/zinc/94/43/08/1094944308.db2.gz LFZWRKCIDOUZBZ-UHFFFAOYSA-N -2 0 345.380 2.679 20 0 EFADRL Cc1cc(S(=O)(=O)[N-]c2cccc(OCC(=O)[O-])c2)sc1C ZINC001600301513 1094954940 /nfs/dbraw/zinc/95/49/40/1094954940.db2.gz LAFJQPBVJDZQHR-UHFFFAOYSA-N -2 0 341.410 2.629 20 0 EFADRL Cc1ccc(C(=O)[O-])c(O)c1NC(=O)c1cc(F)c(F)c([O-])c1F ZINC001600345569 1094987743 /nfs/dbraw/zinc/98/77/43/1094987743.db2.gz JGGKYMLJSCMGSZ-UHFFFAOYSA-N -2 0 341.241 2.774 20 0 EFADRL Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2s[n-]c(=O)c2Cl)cc1 ZINC001600371552 1095010607 /nfs/dbraw/zinc/01/06/07/1095010607.db2.gz JDLJDCAKZBWHBU-SECBINFHSA-N -2 0 340.788 2.756 20 0 EFADRL Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])cc1C(=O)[O-] ZINC001600455389 1095080527 /nfs/dbraw/zinc/08/05/27/1095080527.db2.gz RICNAKGLYFBXER-VHFNBUCGSA-N -2 0 329.352 2.545 20 0 EFADRL Cc1ccc(NC(=O)c2n[n-]c3ccccc3c2=O)c(C(=O)[O-])c1C ZINC001600458417 1095082041 /nfs/dbraw/zinc/08/20/41/1095082041.db2.gz UITFCODXCZLUDV-UHFFFAOYSA-N -2 0 337.335 2.903 20 0 EFADRL Cc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])cc1O ZINC001600463825 1095085755 /nfs/dbraw/zinc/08/57/55/1095085755.db2.gz TUMDMGJXGKVKCS-UHFFFAOYSA-N -2 0 341.772 2.853 20 0 EFADRL Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2cc(F)c([O-])c(F)c2)c1 ZINC001600516982 1095127994 /nfs/dbraw/zinc/12/79/94/1095127994.db2.gz SOSOTTCWGFVIQA-CQSZACIVSA-N -2 0 335.306 2.925 20 0 EFADRL Cc1cccc(S(=O)(=O)[N-]c2ccc(C3CC3)cn2)c1C(=O)[O-] ZINC001600550172 1095155653 /nfs/dbraw/zinc/15/56/53/1095155653.db2.gz HZSDYEUCTUXZGL-UHFFFAOYSA-N -2 0 332.381 2.766 20 0 EFADRL Cc1cccc(S(=O)(=O)[N-]c2c(C)ccc(C(=O)[O-])c2O)c1F ZINC001600550771 1095156555 /nfs/dbraw/zinc/15/65/55/1095156555.db2.gz XVUHYXGHZWBBFA-UHFFFAOYSA-N -2 0 339.344 2.647 20 0 EFADRL Cc1c([N-]c2nc(-c3ccccc3C)ns2)cnn1CC(=O)[O-] ZINC001600563281 1095167344 /nfs/dbraw/zinc/16/73/44/1095167344.db2.gz AKFIMKOOIYCUBZ-UHFFFAOYSA-N -2 0 329.385 2.847 20 0 EFADRL Cc1ccsc1S(=O)(=O)[N-]c1cnc(C(=O)[O-])c(Cl)c1 ZINC001600610521 1095209582 /nfs/dbraw/zinc/20/95/82/1095209582.db2.gz XASIRUUOXYVFQE-UHFFFAOYSA-N -2 0 332.790 2.604 20 0 EFADRL Cc1csc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1C(=O)[O-] ZINC001600662315 1095243314 /nfs/dbraw/zinc/24/33/14/1095243314.db2.gz GWVHFEYQXUHXSW-UHFFFAOYSA-N -2 0 333.337 2.834 20 0 EFADRL Cc1ncc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cc1C(=O)[O-] ZINC001600746702 1095306563 /nfs/dbraw/zinc/30/65/63/1095306563.db2.gz GPBMFIASCIFXAH-UHFFFAOYSA-N -2 0 342.323 2.827 20 0 EFADRL Cc1ncccc1[N-]S(=O)(=O)c1ccc(C(C)(C)C(=O)[O-])cc1 ZINC001600754050 1095307277 /nfs/dbraw/zinc/30/72/77/1095307277.db2.gz RMVNKBWHHRGIEG-UHFFFAOYSA-N -2 0 334.397 2.553 20 0 EFADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1sccc1C(=O)[O-] ZINC001600766613 1095318189 /nfs/dbraw/zinc/31/81/89/1095318189.db2.gz PDKJZFXSOLICRN-UHFFFAOYSA-N -2 0 343.430 2.641 20 0 EFADRL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])s1 ZINC001600766833 1095319435 /nfs/dbraw/zinc/31/94/35/1095319435.db2.gz ZONCYIGDDQAZQN-UHFFFAOYSA-N -2 0 343.430 2.641 20 0 EFADRL Cc1oc(C(=O)[O-])cc1CN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC001600829097 1095361562 /nfs/dbraw/zinc/36/15/62/1095361562.db2.gz OXJBVQCNDSMLJP-UHFFFAOYSA-N -2 0 333.369 2.629 20 0 EFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)cc1C(=O)[O-] ZINC001600855889 1095385419 /nfs/dbraw/zinc/38/54/19/1095385419.db2.gz BDHWDGSYQDTFMH-UHFFFAOYSA-N -2 0 346.364 2.944 20 0 EFADRL Cc1oc(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)cc1C(=O)[O-] ZINC001600856086 1095385625 /nfs/dbraw/zinc/38/56/25/1095385625.db2.gz NTGKCSDDSQMHSY-UHFFFAOYSA-N -2 0 339.369 2.874 20 0 EFADRL Cc1oncc1[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001600864623 1095388401 /nfs/dbraw/zinc/38/84/01/1095388401.db2.gz VHHLWLZNWQSCSQ-UHFFFAOYSA-N -2 0 338.366 2.697 20 0 EFADRL Cc1sc([C@H](C)NCc2ccc(C(=O)[O-])cc2F)nc1C(=O)[O-] ZINC001600873948 1095398541 /nfs/dbraw/zinc/39/85/41/1095398541.db2.gz IXZSABOFUHADOT-ZETCQYMHSA-N -2 0 338.360 2.838 20 0 EFADRL Cn1nc(C2CCCC2)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001601008941 1095463828 /nfs/dbraw/zinc/46/38/28/1095463828.db2.gz LJHCEBZBMZNYSW-UHFFFAOYSA-N -2 0 349.412 2.577 20 0 EFADRL O=C([O-])c1cccc(CC(=O)Nc2ccc3[n-]c(=S)oc3c2)c1 ZINC001601364306 1095637728 /nfs/dbraw/zinc/63/77/28/1095637728.db2.gz DVWMGNBIHDIQOY-UHFFFAOYSA-N -2 0 328.349 2.996 20 0 EFADRL O=C([O-])[C@H](CNC(=O)c1cc(F)c(F)c([O-])c1F)C1CCCCC1 ZINC001601450135 1095678456 /nfs/dbraw/zinc/67/84/56/1095678456.db2.gz BJKZUCYBSVKRIU-SNVBAGLBSA-N -2 0 345.317 2.820 20 0 EFADRL O=C([O-])[C@H](CNC(=O)c1cc(Cl)cc(Cl)c1[O-])CC1CC1 ZINC001601455576 1095681760 /nfs/dbraw/zinc/68/17/60/1095681760.db2.gz CWHNMUVMUGIBRZ-QMMMGPOBSA-N -2 0 332.183 2.930 20 0 EFADRL O=C([O-])c1ccccc1CCNC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC001601513183 1095711780 /nfs/dbraw/zinc/71/17/80/1095711780.db2.gz GCVJSMWCVPOGHW-UHFFFAOYSA-N -2 0 342.376 2.787 20 0 EFADRL O=C([O-])c1cc2cc(NC(=O)C(=O)[N-]OC3CCCC3)ccc2s1 ZINC001601562951 1095732622 /nfs/dbraw/zinc/73/26/22/1095732622.db2.gz CLBKZPCDPXDDHF-UHFFFAOYSA-N -2 0 348.380 2.528 20 0 EFADRL O=C([O-])[C@@H]1CC[C@@H]1C(=O)Nc1cc(Br)cc(Cl)c1[O-] ZINC001601581560 1095741646 /nfs/dbraw/zinc/74/16/46/1095741646.db2.gz KSHBTEKJLJQTTB-NKWVEPMBSA-N -2 0 348.580 2.857 20 0 EFADRL O=C([O-])c1cc(NC(=O)c2s[n-]c(=O)c2Cl)cc2[nH]ccc21 ZINC001601583393 1095743519 /nfs/dbraw/zinc/74/35/19/1095743519.db2.gz NUHRBRQXXNWNOV-UHFFFAOYSA-N -2 0 337.744 2.934 20 0 EFADRL O=C([O-])c1cc(Cl)cc(NC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC001601587468 1095747679 /nfs/dbraw/zinc/74/76/79/1095747679.db2.gz ATSCDWILNUMCAU-UHFFFAOYSA-N -2 0 340.763 2.803 20 0 EFADRL O=C([O-])c1sccc1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001601593678 1095750794 /nfs/dbraw/zinc/75/07/94/1095750794.db2.gz CZCMWFDHVVQUQZ-UHFFFAOYSA-N -2 0 329.337 2.590 20 0 EFADRL O=C([O-])c1cc(NC(=O)c2cc(=O)[nH]c(C3CC3)n2)ccc1Cl ZINC001601603227 1095755710 /nfs/dbraw/zinc/75/57/10/1095755710.db2.gz QWAYVVFOSRADKQ-UHFFFAOYSA-N -2 0 333.731 2.664 20 0 EFADRL O=C([O-])[C@@H](CNS(=O)(=O)c1ccc(F)cc1F)C1CCCCC1 ZINC001601652551 1095785800 /nfs/dbraw/zinc/78/58/00/1095785800.db2.gz WKCMZWVIRGIKRT-LBPRGKRZSA-N -2 0 347.383 2.524 20 0 EFADRL O=C([O-])C[C@@H](NC(=O)c1cc(F)cc(F)c1[O-])c1cccs1 ZINC001601904300 1095968354 /nfs/dbraw/zinc/96/83/54/1095968354.db2.gz WZAKZWNXHRUUEQ-SNVBAGLBSA-N -2 0 327.308 2.678 20 0 EFADRL O=C([O-])C[C@H](NC(=O)c1cc(F)cc(F)c1[O-])c1cccs1 ZINC001601904299 1095968718 /nfs/dbraw/zinc/96/87/18/1095968718.db2.gz WZAKZWNXHRUUEQ-JTQLQIEISA-N -2 0 327.308 2.678 20 0 EFADRL O=C([O-])CC1CC(NC(=O)c2c(O)cnc3ccc(Cl)cc32)C1 ZINC001601944330 1095985589 /nfs/dbraw/zinc/98/55/89/1095985589.db2.gz CYKGJRMROVCCTL-UHFFFAOYSA-N -2 0 334.759 2.577 20 0 EFADRL O=C([O-])CC1CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])CC1 ZINC001601957115 1095993548 /nfs/dbraw/zinc/99/35/48/1095993548.db2.gz MXKUZEKNXXIXSZ-UHFFFAOYSA-N -2 0 331.290 2.738 20 0 EFADRL O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1cc(F)cc(F)c1[O-] ZINC001601972646 1095999259 /nfs/dbraw/zinc/99/92/59/1095999259.db2.gz ZKTXHKGEOKENAT-CYBMUJFWSA-N -2 0 349.333 2.876 20 0 EFADRL O=C([O-])CCCCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC001601982201 1096005341 /nfs/dbraw/zinc/00/53/41/1096005341.db2.gz DYKRCZBWZZUZFL-LBPRGKRZSA-N -2 0 327.764 2.617 20 0 EFADRL O=C([O-])CCCCNC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC001601988558 1096008470 /nfs/dbraw/zinc/00/84/70/1096008470.db2.gz JQPMIKDIIVNULK-UHFFFAOYSA-N -2 0 340.401 2.702 20 0 EFADRL O=C([O-])CCCOc1ccc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001601997436 1096013282 /nfs/dbraw/zinc/01/32/82/1096013282.db2.gz POOFQXGFZKMSOQ-SFHVURJKSA-N -2 0 347.367 2.680 20 0 EFADRL O=C([O-])CSCc1cccc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)c1 ZINC001602101314 1096062145 /nfs/dbraw/zinc/06/21/45/1096062145.db2.gz RJGYQBYHTVGTFX-KRWDZBQOSA-N -2 0 349.408 2.754 20 0 EFADRL O=C([O-])Cc1csc(NC(=O)c2cccc(C(F)(F)F)c2[O-])n1 ZINC001602153468 1096095069 /nfs/dbraw/zinc/09/50/69/1096095069.db2.gz QPMAFGBRGMQHAF-UHFFFAOYSA-N -2 0 346.286 2.747 20 0 EFADRL O=C([O-])c1c(F)ccc(NC(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])c1Cl ZINC001602224992 1096125775 /nfs/dbraw/zinc/12/57/75/1096125775.db2.gz OFZABNVQPMQWPU-RQJHMYQMSA-N -2 0 329.711 2.617 20 0 EFADRL O=C([O-])c1c(Cl)cccc1NC(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC001602229037 1096127842 /nfs/dbraw/zinc/12/78/42/1096127842.db2.gz ZQETWXNJEOLJGN-BDAKNGLRSA-N -2 0 325.748 2.868 20 0 EFADRL O=C([O-])c1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc(Cl)c1F ZINC001602280302 1096157752 /nfs/dbraw/zinc/15/77/52/1096157752.db2.gz CBPSLYMRQZWSTJ-BDAKNGLRSA-N -2 0 341.722 2.783 20 0 EFADRL O=C([O-])c1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc(Cl)c1F ZINC001602280303 1096157955 /nfs/dbraw/zinc/15/79/55/1096157955.db2.gz CBPSLYMRQZWSTJ-DTWKUNHWSA-N -2 0 341.722 2.783 20 0 EFADRL O=C([O-])c1cc([N-]S(=O)(=O)c2cncc(F)c2)cc(Cl)c1F ZINC001602287957 1096163528 /nfs/dbraw/zinc/16/35/28/1096163528.db2.gz RVZBYBYVOKKQCE-UHFFFAOYSA-N -2 0 348.714 2.512 20 0 EFADRL O=C([O-])c1ccc(C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)s1 ZINC001602323469 1096179456 /nfs/dbraw/zinc/17/94/56/1096179456.db2.gz QWNQBSPJZJGYHJ-UHFFFAOYSA-N -2 0 329.337 2.794 20 0 EFADRL O=C([O-])c1ccc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)c2ccccc12 ZINC001602376436 1096212917 /nfs/dbraw/zinc/21/29/17/1096212917.db2.gz CGSQDPRNDVIENJ-LLVKDONJSA-N -2 0 342.351 2.867 20 0 EFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCCC3)o1 ZINC001602402110 1096222378 /nfs/dbraw/zinc/22/23/78/1096222378.db2.gz DIBRTFUMPQMNLM-UHFFFAOYSA-N -2 0 349.364 2.688 20 0 EFADRL O=C([O-])c1ccc(S(=O)(=O)NCC[C@@H]2C[C@H]2Cc2ccccc2)o1 ZINC001602398824 1096222555 /nfs/dbraw/zinc/22/25/55/1096222555.db2.gz KLUPOKQYRHORLF-ZIAGYGMSSA-N -2 0 349.408 2.525 20 0 EFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cn1 ZINC001602401745 1096222667 /nfs/dbraw/zinc/22/26/67/1096222667.db2.gz SMWOMMIJRPXPHH-UHFFFAOYSA-N -2 0 347.179 2.887 20 0 EFADRL O=C([O-])c1ccc2[nH]cc(C([O-])=CS(=O)(=O)c3cccs3)c2c1 ZINC001602409842 1096228061 /nfs/dbraw/zinc/22/80/61/1096228061.db2.gz NIBIKGYBZCGVEK-UHFFFAOYSA-N -2 0 349.389 2.584 20 0 EFADRL O=C([O-])c1ccc2cc(CCNC(=O)c3cccc(F)c3[O-])oc2c1 ZINC001602427859 1096240226 /nfs/dbraw/zinc/24/02/26/1096240226.db2.gz HAJGCGHKLVPVMS-UHFFFAOYSA-N -2 0 343.310 2.948 20 0 EFADRL O=C([O-])c1cccc(CC(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c1 ZINC001602434115 1096243473 /nfs/dbraw/zinc/24/34/73/1096243473.db2.gz DHBPBCTXLZWUNV-HNNXBMFYSA-N -2 0 339.347 2.532 20 0 EFADRL O=C([O-])c1cccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1 ZINC001602434453 1096243684 /nfs/dbraw/zinc/24/36/84/1096243684.db2.gz QJSBWHUTASSOHE-QPJJXVBHSA-N -2 0 336.303 2.902 20 0 EFADRL O=C([O-])c1cccc(Cn2[n-]c(=O)c(Cl)c(Cl)c2=O)c1Cl ZINC001602442344 1096247052 /nfs/dbraw/zinc/24/70/52/1096247052.db2.gz HXMKHKJHNDYIDE-UHFFFAOYSA-N -2 0 349.557 2.656 20 0 EFADRL O=C([O-])c1cccc2c1CCN(C(=O)c1ccc(Cl)c([O-])c1)C2 ZINC001602456127 1096254178 /nfs/dbraw/zinc/25/41/78/1096254178.db2.gz DOMIAJGVSGRMOW-UHFFFAOYSA-N -2 0 331.755 2.942 20 0 EFADRL O=C([O-])c1ccnc([N-]S(=O)(=O)Cc2cc(Cl)ccc2F)c1 ZINC001602483607 1096269241 /nfs/dbraw/zinc/26/92/41/1096269241.db2.gz UJELQXVSHALJBB-UHFFFAOYSA-N -2 0 344.751 2.514 20 0 EFADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1 ZINC001602543859 1096290325 /nfs/dbraw/zinc/29/03/25/1096290325.db2.gz XFGLDQKBEOPHPV-UHFFFAOYSA-N -2 0 328.296 2.518 20 0 EFADRL O=C([O-])c1sc2cccc(F)c2c1CSc1n[nH]c(=O)[n-]1 ZINC001602593663 1096312435 /nfs/dbraw/zinc/31/24/35/1096312435.db2.gz LBBHRHOTTFIURS-UHFFFAOYSA-N -2 0 325.346 2.855 20 0 EFADRL O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC001602622595 1096331553 /nfs/dbraw/zinc/33/15/53/1096331553.db2.gz BMTWXURDWWPDTK-SFHVURJKSA-N -2 0 347.317 2.539 20 0 EFADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1 ZINC001603267400 1096490057 /nfs/dbraw/zinc/49/00/57/1096490057.db2.gz PXSVOGCQXCBIPR-BVIHXZOGSA-N -2 0 343.379 2.510 20 0 EFADRL CC(C)(CCNC(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)C(=O)[O-] ZINC001603606765 1096564495 /nfs/dbraw/zinc/56/44/95/1096564495.db2.gz XSKRGWYMDINTSG-UHFFFAOYSA-N -2 0 328.752 2.661 20 0 EFADRL 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CCc1nccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001605862062 1097257922 /nfs/dbraw/zinc/25/79/22/1097257922.db2.gz NNIDGYKKFPKEMT-UHFFFAOYSA-N -2 0 326.399 2.513 20 0 EFADRL C[N@H+](Cc1ccc(C(=O)[O-])s1)Cc1ccc(OCC(=O)[O-])cc1 ZINC001606162556 1097332526 /nfs/dbraw/zinc/33/25/26/1097332526.db2.gz AYJWAXLVUIHCNE-UHFFFAOYSA-N -2 0 335.381 2.542 20 0 EFADRL O=[P@@]([O-])(O)C1(Nc2c[nH]cc3ccnc2-3)Cc2ccccc2C1 ZINC001167935898 1097348352 /nfs/dbraw/zinc/34/83/52/1097348352.db2.gz FHTZNINICISWBT-UHFFFAOYSA-N -2 0 329.296 2.648 20 0 EFADRL O=[P@@]([O-])(O)C1(Nc2nccc3cccnc32)Cc2ccccc2C1 ZINC001167936702 1097356601 /nfs/dbraw/zinc/35/66/01/1097356601.db2.gz MYUAUZGALSPHGU-UHFFFAOYSA-N -2 0 341.307 2.715 20 0 EFADRL COCc1ccc(NC2([P@@](=O)([O-])O)Cc3ccccc3C2)cc1 ZINC001167939799 1097385576 /nfs/dbraw/zinc/38/55/76/1097385576.db2.gz QLEXIHYDJXWIAC-UHFFFAOYSA-N -2 0 333.324 2.918 20 0 EFADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1c[nH]c2ccccc12 ZINC001607143452 1097542571 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340.763 2.613 20 0 EFADRL CC[C@](NC(=O)c1cc(F)c([O-])c(F)c1)(C(=O)[O-])c1ccccc1 ZINC001609928741 1098497244 /nfs/dbraw/zinc/49/72/44/1098497244.db2.gz GLTKKYMUDRNDKT-QGZVFWFLSA-N -2 0 335.306 2.790 20 0 EFADRL CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-] ZINC001609955842 1098505092 /nfs/dbraw/zinc/50/50/92/1098505092.db2.gz JJOXMQDUQNWHCW-OUCADQQQSA-N -2 0 347.477 2.538 20 0 EFADRL CCCc1cnc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])s1 ZINC001609986438 1098514425 /nfs/dbraw/zinc/51/44/25/1098514425.db2.gz WIFJEYGDGGMJSM-UHFFFAOYSA-N -2 0 340.426 2.903 20 0 EFADRL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)s1 ZINC001609986838 1098514734 /nfs/dbraw/zinc/51/47/34/1098514734.db2.gz UCLUTJZOWAUJHT-UHFFFAOYSA-N -2 0 344.414 2.804 20 0 EFADRL CCc1cccnc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC001610068601 1098537191 /nfs/dbraw/zinc/53/71/91/1098537191.db2.gz QSHJHXJSOFOATR-UHFFFAOYSA-N -2 0 334.397 2.760 20 0 EFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2c[nH]nc2cc1C ZINC001610077792 1098541776 /nfs/dbraw/zinc/54/17/76/1098541776.db2.gz QXXALNGDKFZXSQ-UHFFFAOYSA-N -2 0 349.368 2.526 20 0 EFADRL CO[C@@H](CS(=O)(=O)[N-]c1sccc1C(=O)[O-])c1ccccc1 ZINC001610227917 1098581041 /nfs/dbraw/zinc/58/10/41/1098581041.db2.gz LLYIISRURLCMIF-LBPRGKRZSA-N -2 0 341.410 2.576 20 0 EFADRL COCc1cc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc(C(=O)[O-])c1 ZINC001610269152 1098593590 /nfs/dbraw/zinc/59/35/90/1098593590.db2.gz REZNFPLYGFKEJP-UHFFFAOYSA-N -2 0 349.383 2.895 20 0 EFADRL COCc1cc([N-]S(=O)(=O)c2cc(C)oc2C)cc(C(=O)[O-])c1 ZINC001610270856 1098595003 /nfs/dbraw/zinc/59/50/03/1098595003.db2.gz FMPAVEPMHZZDHS-UHFFFAOYSA-N -2 0 339.369 2.542 20 0 EFADRL COc1ccc(CNC(=O)c2ccc([O-])c(Cl)c2)cc1C(=O)[O-] ZINC001610333361 1098625700 /nfs/dbraw/zinc/62/57/00/1098625700.db2.gz NDKCTHVMRFYLRO-UHFFFAOYSA-N -2 0 335.743 2.682 20 0 EFADRL CSc1ccc(C)c([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001610384668 1098648480 /nfs/dbraw/zinc/64/84/80/1098648480.db2.gz IKJKSGQLNQGHAZ-UHFFFAOYSA-N -2 0 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1098723215 /nfs/dbraw/zinc/72/32/15/1098723215.db2.gz LVCJPLLZOKVGFS-GFCCVEGCSA-N -2 0 349.408 2.683 20 0 EFADRL Cc1cnc(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)c([O-])c1 ZINC001610538806 1098740959 /nfs/dbraw/zinc/74/09/59/1098740959.db2.gz LCZAQKAYHNWZJL-UHFFFAOYSA-N -2 0 338.266 2.648 20 0 EFADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc(F)c1F ZINC001610545382 1098744429 /nfs/dbraw/zinc/74/44/29/1098744429.db2.gz GVVHTIPLWGWHII-UHFFFAOYSA-N -2 0 333.337 2.834 20 0 EFADRL Cc1csc(S(=O)(=O)[N-]c2nc(C(C)(C)C(=O)[O-])cs2)c1 ZINC001610549204 1098745982 /nfs/dbraw/zinc/74/59/82/1098745982.db2.gz XADJDMODWFEEJA-UHFFFAOYSA-N -2 0 346.455 2.676 20 0 EFADRL Cc1c(C(=O)[O-])sc2nc(C)nc(N3C[C@@H](C)C[C@H](C(=O)[O-])C3)c12 ZINC001610556930 1098751540 /nfs/dbraw/zinc/75/15/40/1098751540.db2.gz IYQPPPFENCFBMI-XVKPBYJWSA-N -2 0 349.412 2.553 20 0 EFADRL Cc1c(C(=O)[O-])sc2nc(C)nc(N3C[C@H](C)C[C@@H](C(=O)[O-])C3)c12 ZINC001610556927 1098751667 /nfs/dbraw/zinc/75/16/67/1098751667.db2.gz IYQPPPFENCFBMI-GMSGAONNSA-N 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ZINC000433493208 248066411 /nfs/dbraw/zinc/06/64/11/248066411.db2.gz JBUBGIKJSXIZHY-UHFFFAOYSA-N -2 0 335.381 2.532 20 0 EFADRL O=C([O-])CCC(=O)c1ccc(S(=O)(=O)[N-]c2ccsc2)cc1 ZINC000433496077 248067058 /nfs/dbraw/zinc/06/70/58/248067058.db2.gz JCFDDFODVOSDEM-UHFFFAOYSA-N -2 0 339.394 2.596 20 0 EFADRL Cc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1 ZINC000433823374 248092946 /nfs/dbraw/zinc/09/29/46/248092946.db2.gz WVVSLCJGBNJKNZ-UHFFFAOYSA-N -2 0 347.392 2.688 20 0 EFADRL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC000433820771 248093099 /nfs/dbraw/zinc/09/30/99/248093099.db2.gz FNZAYYLIRSEPQC-UHFFFAOYSA-N -2 0 335.381 2.519 20 0 EFADRL Cc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000433822621 248093547 /nfs/dbraw/zinc/09/35/47/248093547.db2.gz KTHAAIIVVGTCKY-UHFFFAOYSA-N -2 0 335.381 2.816 20 0 EFADRL Cc1cc([N-]S(=O)(=O)c2cncc(Cl)c2)ccc1C(=O)[O-] ZINC000339963592 141722358 /nfs/dbraw/zinc/72/23/58/141722358.db2.gz XVQDNAIDQFGVBT-UHFFFAOYSA-N -2 0 326.761 2.542 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Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cnn([C@@H](C)C2CC2)c1 ZINC000187733536 265115217 /nfs/dbraw/zinc/11/52/17/265115217.db2.gz WJDJZSDDCSZQCN-NSHDSACASA-N -2 0 349.412 2.662 20 0 EFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2ccn(C)c21 ZINC000190852866 265240281 /nfs/dbraw/zinc/24/02/81/265240281.db2.gz DYXUCAOCIJMTOX-UHFFFAOYSA-N -2 0 344.392 2.986 20 0 EFADRL Cc1ccc(S(=O)(=O)[N-]c2cccc3ccn(C)c32)cc1C(=O)[O-] ZINC000190851114 265240526 /nfs/dbraw/zinc/24/05/26/265240526.db2.gz USPIMCAERBZEDS-UHFFFAOYSA-N -2 0 344.392 2.986 20 0 EFADRL C[C@H](CCCC(=O)[O-])NS(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000290931615 294223445 /nfs/dbraw/zinc/22/34/45/294223445.db2.gz JEVSNASZKDKWNY-SSDOTTSWSA-N -2 0 345.364 2.689 20 0 EFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3ccncc32)cc1F ZINC000326285120 311243984 /nfs/dbraw/zinc/24/39/84/311243984.db2.gz DQNQNSWHBDJNDM-UHFFFAOYSA-N -2 0 346.339 2.873 20 0 EFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1F ZINC000489694495 313598661 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ZINC001260869072 1316374861 /nfs/dbraw/zinc/37/48/61/1316374861.db2.gz YPMMYBWSXOSMLU-UHFFFAOYSA-N -2 0 348.211 2.852 20 0 EFADRL COc1cc(-c2ccccc2[C@H](O)CC(=O)[O-])ccc1CCC(=O)[O-] ZINC000849475294 1335626197 /nfs/dbraw/zinc/62/61/97/1335626197.db2.gz KUDBVTKHDGBOFU-MRXNPFEDSA-N -2 0 344.363 2.888 20 0 EFADRL O=C([O-])C[C@@H](O)c1ccccc1-c1cccc(C2(C(=O)[O-])CC2)c1 ZINC000849476871 1335627226 /nfs/dbraw/zinc/62/72/26/1335627226.db2.gz YOJYTKNLJSSXRI-MRXNPFEDSA-N -2 0 326.348 2.978 20 0 EFADRL CN(Cc1n[n-]c(=O)o1)C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC001457872384 1395377161 /nfs/dbraw/zinc/37/71/61/1395377161.db2.gz WHKRKDXNZNAHGF-UHFFFAOYSA-N -2 0 333.731 2.560 20 0 EFADRL O=C([O-])C=Cc1cnc(C=Cc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000823387575 1428767641 /nfs/dbraw/zinc/76/76/41/1428767641.db2.gz PMVSQLKHPVWAGE-GGWOSOGESA-N -2 0 343.343 2.731 20 0 EFADRL O=C([O-])c1nscc1[N-]S(=O)(=O)c1ccc(C(F)F)cc1 ZINC001610872995 1414334349 /nfs/dbraw/zinc/33/43/49/1414334349.db2.gz MFMGVMPMXPOUFF-UHFFFAOYSA-N -2 0 334.325 2.580 20 0 EFADRL O=C([O-])C=Cc1cnc(C=Cc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000823387577 1428910916 /nfs/dbraw/zinc/91/09/16/1428910916.db2.gz PMVSQLKHPVWAGE-UZNMPDEFSA-N -2 0 343.343 2.731 20 0 EFADRL Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1-c1nn[n-]n1 ZINC000826299662 1425689241 /nfs/dbraw/zinc/68/92/41/1425689241.db2.gz PADNDFCWJYYLEQ-UHFFFAOYSA-N -2 0 349.803 2.629 20 0 EFADRL CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)s1 ZINC000821486348 1427489214 /nfs/dbraw/zinc/48/92/14/1427489214.db2.gz DBPZRXNVNCIMDO-UHFFFAOYSA-N -2 0 349.441 2.600 20 0 EFADRL CCc1ccc(S(=O)(=O)[N-]c2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000825717729 1427637868 /nfs/dbraw/zinc/63/78/68/1427637868.db2.gz OWUVXPXLMANBHN-UHFFFAOYSA-N -2 0 343.412 2.538 20 0 EFADRL CC(C)c1nc(C=Cc2ccc(-c3nn[n-]n3)cc2)ncc1C(=O)[O-] ZINC000735938740 1442211625 /nfs/dbraw/zinc/21/16/25/1442211625.db2.gz BXAYAQHWRAZJJO-VMPITWQZSA-N -2 0 336.355 2.649 20 0 EFADRL O=C([O-])C=Cc1cnc(C=Cc2ccc(-c3nn[n-]n3)s2)s1 ZINC000823387750 1442338590 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O=Cc1ccc(-c2ccc(C(=O)NC3(C(=O)[O-])CCCC3)c([O-])c2)o1 ZINC000874963309 939266030 /nfs/dbraw/zinc/26/60/30/939266030.db2.gz MKKQRUOHRYNILF-UHFFFAOYSA-N -2 0 343.335 2.592 20 0 EFADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1F ZINC000321913240 970824186 /nfs/dbraw/zinc/82/41/86/970824186.db2.gz XJXOKPMIPWPRCW-UHFFFAOYSA-N -2 0 349.261 2.742 20 0 EFADRL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1 ZINC000324162288 971091281 /nfs/dbraw/zinc/09/12/81/971091281.db2.gz CMNKSDZONPSDEF-UHFFFAOYSA-N -2 0 343.364 2.576 20 0 EFADRL Cc1nc(C(C)C)[nH]c(=O)c1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000327441116 971398790 /nfs/dbraw/zinc/39/87/90/971398790.db2.gz GTDDINXTVJCFNH-UHFFFAOYSA-N -2 0 343.383 2.884 20 0 EFADRL CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(F)cc(Cl)c2[O-])C1 ZINC001589603436 949209060 /nfs/dbraw/zinc/20/90/60/949209060.db2.gz NBNMQGKUMKZURN-HNNXBMFYSA-N -2 0 329.755 2.902 20 0 EFADRL COc1ccc(S(=O)(=O)Nc2cccc(CCC(=O)[O-])c2)cc1 ZINC000322615517 951033538 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Cc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)s1 ZINC000007718858 956882131 /nfs/dbraw/zinc/88/21/31/956882131.db2.gz OPOROZKGVRIORG-UHFFFAOYSA-N -2 0 332.790 2.604 20 0 EFADRL O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2ccc(Cl)nc2)cc1 ZINC000389443265 972225409 /nfs/dbraw/zinc/22/54/09/972225409.db2.gz DYSKZBREUCICEE-FPYGCLRLSA-N -2 0 338.772 2.634 20 0 EFADRL O=C([O-])[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)c1ccc(F)cc1 ZINC001594715717 956923695 /nfs/dbraw/zinc/92/36/95/956923695.db2.gz DRMILIJHBLBBGS-ZDUSSCGKSA-N -2 0 346.339 2.811 20 0 EFADRL Cc1cnc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)s1 ZINC000020564360 957146625 /nfs/dbraw/zinc/14/66/25/957146625.db2.gz XDZXXDCAKOBHFX-UHFFFAOYSA-N -2 0 332.790 2.604 20 0 EFADRL CCOc1ccc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1 ZINC000390407071 972282238 /nfs/dbraw/zinc/28/22/38/972282238.db2.gz JUIREALSAMYTDR-UHFFFAOYSA-N -2 0 339.369 2.794 20 0 EFADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000128316586 958657895 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Cc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)sc1C ZINC000314979214 963838211 /nfs/dbraw/zinc/83/82/11/963838211.db2.gz OSGJTAXPTZKPAR-UHFFFAOYSA-N -2 0 344.389 2.706 20 0 EFADRL N#Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000315796641 963936406 /nfs/dbraw/zinc/93/64/06/963936406.db2.gz ZXAXHCBKMSNKOE-UHFFFAOYSA-N -2 0 336.756 2.711 20 0 EFADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)s1 ZINC000157849149 967650107 /nfs/dbraw/zinc/65/01/07/967650107.db2.gz ZREDZKFECZLJPO-UHFFFAOYSA-N -2 0 325.411 2.875 20 0 EFADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000319865339 970581584 /nfs/dbraw/zinc/58/15/84/970581584.db2.gz SIEOXXXHEMOZBK-UHFFFAOYSA-N -2 0 339.369 2.712 20 0 EFADRL O=C([O-])c1cccc(S(=O)(=O)Nc2cccc3ncccc32)c1 ZINC000320511404 970672448 /nfs/dbraw/zinc/67/24/48/970672448.db2.gz QDTSIEXCXNOCKA-UHFFFAOYSA-N -2 0 328.349 2.734 20 0 EFADRL O=C([O-])[C@@H]1CN(C(=O)c2cccc(Cl)c2[O-])Cc2ccccc21 ZINC001606041160 973142067 /nfs/dbraw/zinc/14/20/67/973142067.db2.gz DULHEARDPUFCQW-CYBMUJFWSA-N -2 0 331.755 2.870 20 0 EFADRL O=C([O-])Cc1ccccc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC001606320446 973737624 /nfs/dbraw/zinc/73/76/24/973737624.db2.gz BFGLUAVWXLYCSJ-UHFFFAOYSA-N -2 0 343.763 2.907 20 0 EFADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)c(F)c1 ZINC000405007845 973758528 /nfs/dbraw/zinc/75/85/28/973758528.db2.gz NVLDCDTZHAXNFA-UHFFFAOYSA-N -2 0 337.372 2.952 20 0 EFADRL CC(C)c1ccc(C(=O)[N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001591943551 976480741 /nfs/dbraw/zinc/48/07/41/976480741.db2.gz UUJOTTVOEUICTI-UHFFFAOYSA-N -2 0 347.392 2.627 20 0 EFADRL CC(C)c1ccc([N-]S(=O)(=O)c2ccns2)c(C(=O)[O-])c1 ZINC001591973844 976581523 /nfs/dbraw/zinc/58/15/23/976581523.db2.gz GWHBRAGLZVODNX-UHFFFAOYSA-N -2 0 326.399 2.766 20 0 EFADRL C[C@@H](CN(C(=O)c1cccc(C(F)(F)F)c1[O-])C1CC1)C(=O)[O-] ZINC001592562705 978450888 /nfs/dbraw/zinc/45/08/88/978450888.db2.gz IHFDKYNWKWUBKK-QMMMGPOBSA-N -2 0 331.290 2.736 20 0 EFADRL C[C@@H](CN(C)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)C(=O)[O-] ZINC001592575341 978477816 /nfs/dbraw/zinc/47/78/16/978477816.db2.gz YOVKJKFHMAARDB-JTQLQIEISA-N -2 0 330.340 2.722 20 0 EFADRL COc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000775296055 978747479 /nfs/dbraw/zinc/74/74/79/978747479.db2.gz ZKTOTIBWKNZCGQ-UHFFFAOYSA-N -2 0 347.801 2.909 20 0 EFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C)c(C(=O)[O-])c1 ZINC000806633503 978850639 /nfs/dbraw/zinc/85/06/39/978850639.db2.gz SRHNLCMAPZBLMT-UHFFFAOYSA-N -2 0 340.788 2.851 20 0 EFADRL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1C ZINC001595023651 979117341 /nfs/dbraw/zinc/11/73/41/979117341.db2.gz KAGCQOPBIPQSIP-MRVPVSSYSA-N -2 0 343.430 2.723 20 0 EFADRL C[C@@](CNc1nc(Cl)c(C(=O)[O-])s1)(C(=O)[O-])c1ccccc1 ZINC001592728508 979237343 /nfs/dbraw/zinc/23/73/43/979237343.db2.gz GXHMHRGZOGXKBQ-AWEZNQCLSA-N -2 0 340.788 2.949 20 0 EFADRL CCC(CC)(NC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC001595097637 979394859 /nfs/dbraw/zinc/39/48/59/979394859.db2.gz FDBMDKPXBBWXRF-UHFFFAOYSA-N -2 0 330.178 2.528 20 0 EFADRL C[C@H](Cc1ccc(NC(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)cc1)C(=O)[O-] ZINC001592861193 979696745 /nfs/dbraw/zinc/69/67/45/979696745.db2.gz PYRSYASZYJFAFF-LALPHHSUSA-N -2 0 348.399 2.524 20 0 EFADRL CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)C1 ZINC001595367916 980820372 /nfs/dbraw/zinc/82/03/72/980820372.db2.gz KEFOVBSZLBNQCR-SFHVURJKSA-N -2 0 348.399 2.813 20 0 EFADRL CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(C(=O)[O-])cs2)C1 ZINC001595368095 980822611 /nfs/dbraw/zinc/82/26/11/980822611.db2.gz UUDYXHGMVZAULR-CQSZACIVSA-N -2 0 326.374 2.555 20 0 EFADRL CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)C1 ZINC001595368180 980823171 /nfs/dbraw/zinc/82/31/71/980823171.db2.gz ZUIXCINSJXOGLK-QGZVFWFLSA-N -2 0 334.372 2.802 20 0 EFADRL CCC[C@@](C)(NC(=O)c1cc(Br)cc(F)c1[O-])C(=O)[O-] ZINC001595554055 981433895 /nfs/dbraw/zinc/43/38/95/981433895.db2.gz XNKJMDJVFCQSNY-CYBMUJFWSA-N -2 0 348.168 2.667 20 0 EFADRL CCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001595570690 981475068 /nfs/dbraw/zinc/47/50/68/981475068.db2.gz IHADDLZGOQNJOK-VIFPVBQESA-N -2 0 347.820 2.669 20 0 EFADRL CCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001595585909 981527187 /nfs/dbraw/zinc/52/71/87/981527187.db2.gz IKNQQMSIGXRMAQ-SECBINFHSA-N -2 0 347.820 2.669 20 0 EFADRL CCC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001595586013 981528534 /nfs/dbraw/zinc/52/85/34/981528534.db2.gz LXAGIUOHXGLJQP-GFCCVEGCSA-N -2 0 341.429 2.652 20 0 EFADRL CCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001595631221 981835743 /nfs/dbraw/zinc/83/57/43/981835743.db2.gz HVCIYYPFPPPIRW-VIFPVBQESA-N -2 0 347.820 2.669 20 0 EFADRL CCCC[C@@H](CC)CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001595632066 981848325 /nfs/dbraw/zinc/84/83/25/981848325.db2.gz QPGBCRCYQVOCJP-LLVKDONJSA-N -2 0 345.417 2.698 20 0 EFADRL CC[C@@](C)(CC(=O)[O-])C(=O)Nc1ccc(SC)c(C(=O)[O-])c1 ZINC001594815882 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EFADRL C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC[C@@H]1C(=O)[O-] ZINC001594479110 985511435 /nfs/dbraw/zinc/51/14/35/985511435.db2.gz SVHVSZZDWAMSCK-SCZZXKLOSA-N -2 0 340.763 2.613 20 0 EFADRL C[C@H]1CN(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC[C@H]1C(=O)[O-] ZINC001594479111 985511673 /nfs/dbraw/zinc/51/16/73/985511673.db2.gz SVHVSZZDWAMSCK-WCBMZHEXSA-N -2 0 340.763 2.613 20 0 EFADRL C[C@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)C(C)(C)C ZINC001589424425 986692907 /nfs/dbraw/zinc/69/29/07/986692907.db2.gz VWACWVBKMYGSBB-MRVPVSSYSA-N -2 0 347.820 2.525 20 0 EFADRL CCC(CC)(CNC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC001589500380 987101082 /nfs/dbraw/zinc/10/10/82/987101082.db2.gz PRYZGXJRSNVKBW-UHFFFAOYSA-N -2 0 344.205 2.776 20 0 EFADRL CC(C)(C(=O)[O-])c1csc(NC(=O)c2cc(F)cc(F)c2[O-])n1 ZINC001589656136 987618892 /nfs/dbraw/zinc/61/88/92/987618892.db2.gz JWBFNXPUXAFAGB-UHFFFAOYSA-N -2 0 342.323 2.741 20 0 EFADRL CC(C)(C(=O)[O-])c1csc(NC(=O)c2c([O-])cc(F)cc2F)n1 ZINC001589656453 987619697 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CSc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])s1 ZINC001599826189 988601663 /nfs/dbraw/zinc/60/16/63/988601663.db2.gz HFFKADUEKAWQRR-UHFFFAOYSA-N -2 0 329.424 2.969 20 0 EFADRL CCc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2F)n1 ZINC001597638474 988623968 /nfs/dbraw/zinc/62/39/68/988623968.db2.gz CVFSPXYQYQUDDC-UHFFFAOYSA-N -2 0 344.389 2.652 20 0 EFADRL C[C@@H](NS(=O)(=O)c1cccc2c(C(=O)[O-])cccc21)C(F)(F)F ZINC001599842101 988858748 /nfs/dbraw/zinc/85/87/48/988858748.db2.gz FLBBSNSBVHIAHL-MRVPVSSYSA-N -2 0 347.314 2.767 20 0 EFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1 ZINC001597785182 989301741 /nfs/dbraw/zinc/30/17/41/989301741.db2.gz BNTSDCKKGWCZTP-UHFFFAOYSA-N -2 0 349.286 2.758 20 0 EFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2ncccc2c1 ZINC001597791112 989317717 /nfs/dbraw/zinc/31/77/17/989317717.db2.gz LKDYUNKXRZUTBA-UHFFFAOYSA-N -2 0 346.364 2.889 20 0 EFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncc(Cl)cc1C ZINC001597791311 989320779 /nfs/dbraw/zinc/32/07/79/989320779.db2.gz 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C[C@H](NC(=O)Nc1ccsc1C(=O)[O-])[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001593125272 993861184 /nfs/dbraw/zinc/86/11/84/993861184.db2.gz XMFYVXXQHZQTQZ-XHNCKOQMSA-N -2 0 340.401 2.703 20 0 EFADRL COc1ccc(S(=O)(=O)[N-]c2scc(C(=O)[O-])c2C)cc1F ZINC001599617875 994041459 /nfs/dbraw/zinc/04/14/59/994041459.db2.gz JYOMUAIOGVRRPT-UHFFFAOYSA-N -2 0 345.373 2.703 20 0 EFADRL COCc1cccc(S(=O)(=O)[N-]c2cc(C)sc2C(=O)[O-])c1 ZINC001599296907 997161199 /nfs/dbraw/zinc/16/11/99/997161199.db2.gz BMXLGMCVIOMIME-UHFFFAOYSA-N -2 0 341.410 2.702 20 0 EFADRL COc1cc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c(C)cc1C ZINC001599445573 998003995 /nfs/dbraw/zinc/00/39/95/998003995.db2.gz PWZAYFHABXWXSA-UHFFFAOYSA-N -2 0 341.410 2.873 20 0 EFADRL COc1cc(S(=O)(=O)[N-]c2c(C)csc2C(=O)[O-])ccc1F ZINC001599459947 998255347 /nfs/dbraw/zinc/25/53/47/998255347.db2.gz PQHZUGBFNAYMJT-UHFFFAOYSA-N -2 0 345.373 2.703 20 0 EFADRL COc1ccc(CNC(=O)c2cccc(Cl)c2[O-])cc1C(=O)[O-] ZINC001599570867 998362752 /nfs/dbraw/zinc/36/27/52/998362752.db2.gz 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ZINC001600125087 1094787079 /nfs/dbraw/zinc/78/70/79/1094787079.db2.gz SMUIBYHVZAQGAD-UHFFFAOYSA-N -2 0 332.381 2.766 20 0 EFADRL Cc1cc(C)cc([C@@H](NCc2nc(=O)c3sccc3[n-]2)C(=O)[O-])c1 ZINC001600170619 1094836836 /nfs/dbraw/zinc/83/68/36/1094836836.db2.gz YDXBVIHDAZGWMA-CQSZACIVSA-N -2 0 343.408 2.929 20 0 EFADRL Cc1cc(C=O)c([O-])c(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC001600185193 1094850818 /nfs/dbraw/zinc/85/08/18/1094850818.db2.gz FXYLPHMSRSEOCS-UHFFFAOYSA-N -2 0 327.336 2.783 20 0 EFADRL Cc1cc(OCC(=O)[O-])ccc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC001600289193 1094947753 /nfs/dbraw/zinc/94/77/53/1094947753.db2.gz QQHUXMKMTKXWPV-UHFFFAOYSA-N -2 0 349.383 2.822 20 0 EFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])s2)cnc1Cl ZINC001600301043 1094952659 /nfs/dbraw/zinc/95/26/59/1094952659.db2.gz FNSUUEGPSGUNSY-UHFFFAOYSA-N -2 0 332.790 2.604 20 0 EFADRL Cc1cc(S(=O)(=O)[N-]c2nc(C(C)(C)C(=O)[O-])cs2)c(C)o1 ZINC001600301500 1094955541 /nfs/dbraw/zinc/95/55/41/1094955541.db2.gz KIRYJQMGCRTVHN-UHFFFAOYSA-N 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O=C([O-])c1csc(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1 ZINC000023805147 212396156 /nfs/dbraw/zinc/39/61/56/212396156.db2.gz JHXIHBPAQXPGGN-UHFFFAOYSA-N -2 0 349.336 2.849 20 0 EFADRL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000248534144 304142135 /nfs/dbraw/zinc/14/21/35/304142135.db2.gz IZRVXCYUPLEROZ-XDTLVQLUSA-N -2 0 346.408 2.974 20 0 EFADRL CCN(c1ccc(C)cc1C)S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433507630 248067241 /nfs/dbraw/zinc/06/72/41/248067241.db2.gz SFFGKFCMILHAEP-UHFFFAOYSA-N -2 0 349.408 2.922 20 0 EFADRL Cc1cccc(O)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000433832032 248094983 /nfs/dbraw/zinc/09/49/83/248094983.db2.gz QJDWKCPCDQUEOK-UHFFFAOYSA-N -2 0 347.392 2.688 20 0 EFADRL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000012526154 211398928 /nfs/dbraw/zinc/39/89/28/211398928.db2.gz KIKCSGUOYFCDLT-UHFFFAOYSA-N -2 0 329.736 2.978 20 0 EFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)c1 ZINC000444417368 250297929 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CC[C@@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001595125646 979508967 /nfs/dbraw/zinc/50/89/67/979508967.db2.gz DPVVOZWXJHRQSN-ZDUSSCGKSA-N -2 0 347.477 2.540 20 0 EFADRL C[C@H](Cc1ccc(NC(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)cc1)C(=O)[O-] ZINC001592861191 979696595 /nfs/dbraw/zinc/69/65/95/979696595.db2.gz PYRSYASZYJFAFF-JMSVASOKSA-N -2 0 348.399 2.524 20 0 EFADRL CC[C@](CNC(=O)c1ccc(F)cc1[O-])(C(=O)[O-])c1ccccc1 ZINC001595163950 979704546 /nfs/dbraw/zinc/70/45/46/979704546.db2.gz FHLXKUFGXSIXSM-GOSISDBHSA-N -2 0 331.343 2.694 20 0 EFADRL CCCC(CCC)C(=O)[N-]S(=O)(=O)Cc1cccc(C(=O)[O-])c1 ZINC001595586708 981535598 /nfs/dbraw/zinc/53/55/98/981535598.db2.gz LIJGZBTXMIJLTP-UHFFFAOYSA-N -2 0 341.429 2.547 20 0 EFADRL CCCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001595699201 982257165 /nfs/dbraw/zinc/25/71/65/982257165.db2.gz YDYXPLQSTNYABM-LLVKDONJSA-N -2 0 345.417 2.779 20 0 EFADRL CC[C@@H](C)[C@@H]([N-]S(=O)(=O)CCCCCC(=O)[O-])C(F)(F)F ZINC001594921284 982468292 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ZINC001591052187 991456565 /nfs/dbraw/zinc/45/65/65/991456565.db2.gz NZMCMRKACDZUCW-HNNXBMFYSA-N -2 0 325.430 2.857 20 0 EFADRL COc1ccccc1S(=O)(=O)[N-]c1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001599718229 991492710 /nfs/dbraw/zinc/49/27/10/991492710.db2.gz MSYWCGPYSZASFY-UHFFFAOYSA-N -2 0 346.364 2.676 20 0 EFADRL COc1ccccc1S(=O)(=O)[N-]c1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC001599718438 991496259 /nfs/dbraw/zinc/49/62/59/991496259.db2.gz ZHFWYMNARXGZIF-UONOGXRCSA-N -2 0 347.392 2.684 20 0 EFADRL COc1ccsc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1F ZINC001599722690 991566658 /nfs/dbraw/zinc/56/66/58/991566658.db2.gz VJJABALCRXXTKP-UHFFFAOYSA-N -2 0 349.336 2.534 20 0 EFADRL CC(C)C[C@](C)(CC(=O)[O-])C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001591129719 991818637 /nfs/dbraw/zinc/81/86/37/991818637.db2.gz AKAOWJFBQAFNGJ-MRXNPFEDSA-N -2 0 325.336 2.990 20 0 EFADRL CC(C)C[C@](C)(CC(=O)[O-])C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001591129886 991820512 /nfs/dbraw/zinc/82/05/12/991820512.db2.gz DPLDHPHYILYJJZ-MRXNPFEDSA-N -2 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Cc1cc(CNC(=O)NCc2ccc(O)c(Cl)c2)oc1C(=O)[O-] ZINC001600201913 1094873132 /nfs/dbraw/zinc/87/31/32/1094873132.db2.gz PKKMZNLPWCDRQI-UHFFFAOYSA-N -2 0 338.747 2.645 20 0 EFADRL Cc1cc(NC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)ccc1C(=O)[O-] ZINC001600263714 1094923808 /nfs/dbraw/zinc/92/38/08/1094923808.db2.gz BYYZYIPNSWKMGJ-DDTOSNHZSA-N -2 0 348.399 2.950 20 0 EFADRL Cc1cc(S(=O)(=O)[N-]c2sc(C)c(C)c2C(=O)[O-])sn1 ZINC001600300993 1094952788 /nfs/dbraw/zinc/95/27/88/1094952788.db2.gz UJVRESOERMLXFU-UHFFFAOYSA-N -2 0 332.428 2.629 20 0 EFADRL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(Cl)c1[O-] ZINC001600360420 1095002723 /nfs/dbraw/zinc/00/27/23/1095002723.db2.gz ITOOFDJCOHKSSO-UHFFFAOYSA-N -2 0 341.772 2.853 20 0 EFADRL Cc1ccc(C)c(C(=O)NCc2ccccc2CC(=O)[O-])c1C(=O)[O-] ZINC001600387119 1095026041 /nfs/dbraw/zinc/02/60/41/1095026041.db2.gz HINZRARJFCIPHQ-UHFFFAOYSA-N -2 0 341.363 2.559 20 0 EFADRL Cc1ccc(C)c(C([O-])=CS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC001600387251 1095026219 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Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2c([O-])cc(F)cc2F)c1 ZINC001600515741 1095126061 /nfs/dbraw/zinc/12/60/61/1095126061.db2.gz IBCCERDOYGWQSH-ZDUSSCGKSA-N -2 0 335.306 2.925 20 0 EFADRL Cc1[nH]nc(S(=O)(=O)[N-]c2c(C)cccc2C(C)C)c1C(=O)[O-] ZINC001600514942 1095126282 /nfs/dbraw/zinc/12/62/82/1095126282.db2.gz MRQSMDORKOOEQK-UHFFFAOYSA-N -2 0 337.401 2.649 20 0 EFADRL Cc1cccc(S(=O)(=O)[N-]c2cc3c(cn2)CCCC3)c1C(=O)[O-] ZINC001600550763 1095156513 /nfs/dbraw/zinc/15/65/13/1095156513.db2.gz XMIIGHJAGAIBBA-UHFFFAOYSA-N -2 0 346.408 2.768 20 0 EFADRL Cc1cnc([N-]S(=O)(=O)c2ccc(C(C)(C)C(=O)[O-])cc2)s1 ZINC001600624093 1095218083 /nfs/dbraw/zinc/21/80/83/1095218083.db2.gz XBNHMHCBCZYUMZ-UHFFFAOYSA-N -2 0 340.426 2.615 20 0 EFADRL Cc1csc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2N(C)C)c1 ZINC001600664672 1095247645 /nfs/dbraw/zinc/24/76/45/1095247645.db2.gz KMUYDFWTAOEWPQ-UHFFFAOYSA-N -2 0 340.426 2.622 20 0 EFADRL Cc1nc([N-]S(=O)(=O)Cc2ccccc2Cl)sc1C(=O)[O-] ZINC001600719048 1095285813 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20 0 EFADRL O=C([O-])[C@@H](CNC(=O)c1cc(F)cc(F)c1[O-])CC1CCCC1 ZINC001601459059 1095685338 /nfs/dbraw/zinc/68/53/38/1095685338.db2.gz MIYDEUNTKUKZFH-SNVBAGLBSA-N -2 0 327.327 2.681 20 0 EFADRL O=C([O-])[C@H](CNC(=O)c1s[n-]c(=O)c1Cl)CC1CCCC1 ZINC001601460182 1095687548 /nfs/dbraw/zinc/68/75/48/1095687548.db2.gz DFDIQJDQTQNMJK-QMMMGPOBSA-N -2 0 332.809 2.513 20 0 EFADRL O=C([O-])[C@H](NC(=O)c1ccc2oc(=S)[n-]c2c1)c1ccccc1 ZINC001601564290 1095733733 /nfs/dbraw/zinc/73/37/33/1095733733.db2.gz DRQBJVQWHACJMP-CYBMUJFWSA-N -2 0 328.349 2.672 20 0 EFADRL O=C([O-])c1ncc(C(F)(F)F)cc1NC(=O)c1cccc(F)c1[O-] ZINC001601588403 1095747550 /nfs/dbraw/zinc/74/75/50/1095747550.db2.gz RSEBDFWYNDMGKN-UHFFFAOYSA-N -2 0 344.220 2.896 20 0 EFADRL O=C([O-])c1n[nH]c2ccc(NC(=O)c3ccc(Cl)c([O-])c3)cc21 ZINC001601610711 1095762089 /nfs/dbraw/zinc/76/20/89/1095762089.db2.gz CVQHUKZWCPDOGV-UHFFFAOYSA-N -2 0 331.715 2.872 20 0 EFADRL O=C([O-])[C@@H]1CC[C@@H](C(=O)[O-])N(C(=O)Nc2cccc3ccccc32)C1 ZINC001601792491 1095904251 /nfs/dbraw/zinc/90/42/51/1095904251.db2.gz LOOTXUMGJKSUQU-DOMZBBRYSA-N -2 0 342.351 2.622 20 0 EFADRL O=C([O-])[C@H]1CCN(C(=O)Nc2cccc3ccccc32)[C@H](C(=O)[O-])C1 ZINC001601824307 1095922696 /nfs/dbraw/zinc/92/26/96/1095922696.db2.gz ZPGALLSJVMXUTM-WFASDCNBSA-N -2 0 342.351 2.622 20 0 EFADRL O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC001601867131 1095943036 /nfs/dbraw/zinc/94/30/36/1095943036.db2.gz ISLDLRGBJZDCTO-CQSZACIVSA-N -2 0 349.745 2.836 20 0 EFADRL O=C([O-])C[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1[O-])C1CC1 ZINC001601894632 1095963420 /nfs/dbraw/zinc/96/34/20/1095963420.db2.gz MFTLDLWXDRQQSD-VIFPVBQESA-N -2 0 331.290 2.642 20 0 EFADRL O=C([O-])C[C@H]1CCCN(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])C1 ZINC001601952463 1095990032 /nfs/dbraw/zinc/99/00/32/1095990032.db2.gz RVTQVLPFDKDBCZ-SECBINFHSA-N -2 0 340.763 2.757 20 0 EFADRL O=C([O-])C[C@H]1CCCN(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC001601952666 1095991773 /nfs/dbraw/zinc/99/17/73/1095991773.db2.gz 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O=C([O-])c1ccc(S(=O)(=O)C=C([O-])c2ccc(Cl)cc2)cc1 ZINC001602392286 1096221836 /nfs/dbraw/zinc/22/18/36/1096221836.db2.gz WUAKTSIRFWSKNU-UHFFFAOYSA-N -2 0 338.768 2.695 20 0 EFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc3c(c2)CCCC3)s1 ZINC001602402232 1096222641 /nfs/dbraw/zinc/22/26/41/1096222641.db2.gz QBSBUBTZWWGHLW-UHFFFAOYSA-N -2 0 338.410 2.521 20 0 EFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(C(F)F)c2)cn1 ZINC001602402351 1096223130 /nfs/dbraw/zinc/22/31/30/1096223130.db2.gz VMMWBAZBOMLAFF-UHFFFAOYSA-N -2 0 328.296 2.518 20 0 EFADRL O=C([O-])c1ccsc1NC(=O)c1ncc(Br)cc1[O-] ZINC001602490073 1096271371 /nfs/dbraw/zinc/27/13/71/1096271371.db2.gz LLSVZLWPPGDANA-UHFFFAOYSA-N -2 0 343.158 2.562 20 0 EFADRL O=C([O-])c1ccsc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC001602490050 1096272313 /nfs/dbraw/zinc/27/23/13/1096272313.db2.gz KJMOIFLGQIRCIW-UHFFFAOYSA-N -2 0 337.378 2.622 20 0 EFADRL O=C([O-])c1cnc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cn1 ZINC001602507365 1096273521 /nfs/dbraw/zinc/27/35/21/1096273521.db2.gz 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O=C([O-])c1sccc1[N-]S(=O)(=O)c1c[nH]c(C(F)(F)F)c1 ZINC001602596643 1096313842 /nfs/dbraw/zinc/31/38/42/1096313842.db2.gz ZLAKAGFFBKBAQP-UHFFFAOYSA-N -2 0 340.304 2.594 20 0 EFADRL O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2cc(F)cc(F)c2[O-])C1 ZINC001602622739 1096331480 /nfs/dbraw/zinc/33/14/80/1096331480.db2.gz KTSVNBYFIGPSNO-GOSISDBHSA-N -2 0 347.317 2.539 20 0 EFADRL CC(C)[C@@H](C(=O)[O-])C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001603713447 1096598350 /nfs/dbraw/zinc/59/83/50/1096598350.db2.gz AVSAXEQDDJXADR-GFCCVEGCSA-N -2 0 335.381 2.573 20 0 EFADRL CC(C)Oc1ccccc1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001603951979 1096680347 /nfs/dbraw/zinc/68/03/47/1096680347.db2.gz GPWDVILXVJVXQV-UHFFFAOYSA-N -2 0 325.342 2.566 20 0 EFADRL CC(C)c1nc(/C=C\c2ccccc2OCC(=O)[O-])ncc1C(=O)[O-] ZINC001604013567 1096698164 /nfs/dbraw/zinc/69/81/64/1096698164.db2.gz FNBWDGAPZRBPFM-FPLPWBNLSA-N -2 0 342.351 2.932 20 0 EFADRL C[C@](CC(=O)[O-])(NC(=O)c1ccc([O-])c(Cl)c1)c1cccnc1 ZINC001604084301 1096725296 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O=C([O-])[C@]12CN(C(=O)c3ccc4oc(=S)[n-]c4c3)C[C@H]1CCCC2 ZINC001609029238 1098117391 /nfs/dbraw/zinc/11/73/91/1098117391.db2.gz RKVHYDMMOKAJRZ-PIGZYNQJSA-N -2 0 346.408 2.834 20 0 EFADRL O=C([O-])c1ccc(Cl)cc1NC=C1C(=O)NC(=O)c2ccccc21 ZINC001609044216 1098119494 /nfs/dbraw/zinc/11/94/94/1098119494.db2.gz MWWXYVIQKMEXRQ-JYRVWZFOSA-N -2 0 342.738 2.761 20 0 EFADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1 ZINC001609651356 1098416278 /nfs/dbraw/zinc/41/62/78/1098416278.db2.gz IPYCQKCMZYMFCI-LBPRGKRZSA-N -2 0 348.399 2.767 20 0 EFADRL CC(C)n1ncc2c1nc(/C=C/c1c[nH]c(C(=O)[O-])c1)cc2C(=O)[O-] ZINC001609724734 1098437791 /nfs/dbraw/zinc/43/77/91/1098437791.db2.gz LJCQXZWUIKYPFY-ONEGZZNKSA-N -2 0 340.339 2.907 20 0 EFADRL C[C@@](CNC(=O)c1cccc(Cl)c1[O-])(C(=O)[O-])c1ccccc1 ZINC001609745815 1098444601 /nfs/dbraw/zinc/44/46/01/1098444601.db2.gz BZAJULPRIMMOKN-KRWDZBQOSA-N -2 0 333.771 2.818 20 0 EFADRL CC[C@@H](C(=O)[O-])C(=O)Nc1cc(Cl)cc(Br)c1[O-] ZINC001609886914 1098485182 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20 0 EFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccccc2N2CCOCC2)c1 ZINC001242163454 1314187252 /nfs/dbraw/zinc/18/72/52/1314187252.db2.gz WLTAZCRRESUWJV-UHFFFAOYSA-N -2 0 327.336 2.587 20 0 EFADRL CCOC(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(C)n1 ZINC001242163455 1314187264 /nfs/dbraw/zinc/18/72/64/1314187264.db2.gz YUOXEEPMXJUFFG-UHFFFAOYSA-N -2 0 329.308 2.630 20 0 EFADRL COC(=O)c1c(F)cc(C)cc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242164524 1314187274 /nfs/dbraw/zinc/18/72/74/1314187274.db2.gz MMFJFMIFXBRDKB-UHFFFAOYSA-N -2 0 332.283 2.984 20 0 EFADRL COC(=O)c1cc(F)c(C)c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242163288 1314187278 /nfs/dbraw/zinc/18/72/78/1314187278.db2.gz SZKAXVWSQSTLSO-UHFFFAOYSA-N -2 0 332.283 2.984 20 0 EFADRL COC(=O)/C=C\c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001242164042 1314187305 /nfs/dbraw/zinc/18/73/05/1314187305.db2.gz YTRCFZLEDIBHIL-DAXSKMNVSA-N -2 0 326.304 2.936 20 0 EFADRL COC(=O)c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(F)c1F ZINC001242163903 1314187313 /nfs/dbraw/zinc/18/73/13/1314187313.db2.gz QXANFFDCLYBIJU-UHFFFAOYSA-N -2 0 336.246 2.815 20 0 EFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3c(c2)C2(CC3)OCCO2)c1 ZINC001242164279 1314187359 /nfs/dbraw/zinc/18/73/59/1314187359.db2.gz GJEQONSMXLRSNW-UHFFFAOYSA-N -2 0 340.331 2.896 20 0 EFADRL CCOc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(OCC)n1 ZINC001242163912 1314187430 /nfs/dbraw/zinc/18/74/30/1314187430.db2.gz RNKMPNCJXMUSNC-UHFFFAOYSA-N -2 0 331.324 2.942 20 0 EFADRL CCOc1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c(OCC)n1 ZINC001243154595 1314266031 /nfs/dbraw/zinc/26/60/31/1314266031.db2.gz ZJDRUDNTBMKDNU-UHFFFAOYSA-N -2 0 331.324 2.942 20 0 EFADRL Cc1cc(-c2cc(C(F)(F)F)c(C(=O)[O-])nn2)ccc1C(=O)[O-] ZINC001243214553 1314270864 /nfs/dbraw/zinc/27/08/64/1314270864.db2.gz RRRXTDUVRHUIHH-UHFFFAOYSA-N -2 0 326.230 2.867 20 0 EFADRL CN(C)C(=O)c1cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])ccc1F ZINC001243290727 1314275568 /nfs/dbraw/zinc/27/55/68/1314275568.db2.gz XFGAGGPJVKVKIX-UHFFFAOYSA-N -2 0 331.299 2.591 20 0 EFADRL Cc1[n-]n(-c2cccc(-c3cnc(Cl)n3C)c2)c(=O)c1CC(=O)[O-] ZINC000901063624 1309336141 /nfs/dbraw/zinc/33/61/41/1309336141.db2.gz RPHIKYTUAPDQAR-LBPRGKRZSA-N -2 0 346.774 2.554 20 0 EFADRL COC(=O)c1ccc(OC)c(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001244051447 1314347775 /nfs/dbraw/zinc/34/77/75/1314347775.db2.gz PJIRJBRNBFRIPO-UHFFFAOYSA-N -2 0 330.292 2.545 20 0 EFADRL O=C([O-])CCc1ccc(-c2cc(C(F)(F)F)c(C(=O)[O-])nn2)cc1 ZINC001244185457 1314360398 /nfs/dbraw/zinc/36/03/98/1314360398.db2.gz DRTMHIJAPCVZHP-UHFFFAOYSA-N -2 0 340.257 2.878 20 0 EFADRL CN(C)C(=O)c1cccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1F ZINC001244766906 1314410747 /nfs/dbraw/zinc/41/07/47/1314410747.db2.gz YZDZAUPYVXVVSE-UHFFFAOYSA-N -2 0 331.299 2.591 20 0 EFADRL Cc1nc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2C)s1 ZINC000901730053 1310957590 /nfs/dbraw/zinc/95/75/90/1310957590.db2.gz JEBCCQASBAEUFG-UHFFFAOYSA-N -2 0 340.426 2.876 20 0 EFADRL CCc1ncc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2C)s1 ZINC000901734102 1310963305 /nfs/dbraw/zinc/96/33/05/1310963305.db2.gz VSHLKPWJTIQSIR-UHFFFAOYSA-N -2 0 340.426 2.821 20 0 EFADRL CCNC(=O)c1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c(OC)c1 ZINC001222442748 1311132247 /nfs/dbraw/zinc/13/22/47/1311132247.db2.gz CPBYXSLWTZGNKO-UHFFFAOYSA-N -2 0 343.335 2.508 20 0 EFADRL CCOC[C@H](C)Oc1cc(O)ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228121553 1311902647 /nfs/dbraw/zinc/90/26/47/1311902647.db2.gz DWOAOPHSQSFPBQ-NSHDSACASA-N -2 0 332.352 2.838 20 0 EFADRL O=C(c1ccc(O)cc1[O-])c1ccc(O)cc1O[C@@H]1CCCCC1=O ZINC001228122483 1311903070 /nfs/dbraw/zinc/90/30/70/1311903070.db2.gz NHECTBJWNZSHHD-QGZVFWFLSA-N -2 0 342.347 2.925 20 0 EFADRL O=C([O-])c1nnc(-c2cc([O-])c(F)c(F)c2F)cc1C(F)(F)F ZINC001245636261 1314517217 /nfs/dbraw/zinc/51/72/17/1314517217.db2.gz PYYAAPZUSIVHGM-UHFFFAOYSA-N -2 0 338.163 2.984 20 0 EFADRL Cc1cccc(-c2cc(=O)n(-c3ccccc3S(=O)(=O)[O-])[n-]2)c1 ZINC001245918641 1314549843 /nfs/dbraw/zinc/54/98/43/1314549843.db2.gz VJFYKUMSOSHQSI-UHFFFAOYSA-N -2 0 330.365 2.800 20 0 EFADRL Cc1ccc(-c2cc(=O)n(-c3ccc(S(=O)(=O)[O-])cc3)[n-]2)cc1 ZINC001245918996 1314550038 /nfs/dbraw/zinc/55/00/38/1314550038.db2.gz HMFLMFILKYUECA-UHFFFAOYSA-N -2 0 330.365 2.800 20 0 EFADRL Cc1cccnc1-c1noc(-c2ccccc2OP(=O)([O-])[O-])n1 ZINC001216746420 1315002826 /nfs/dbraw/zinc/00/28/26/1315002826.db2.gz SUOBEFNGHNDNDO-UHFFFAOYSA-N -2 0 333.240 2.579 20 0 EFADRL CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)c(O)c1 ZINC001252364630 1315439523 /nfs/dbraw/zinc/43/95/23/1315439523.db2.gz PYHOCRBEULMRMU-UHFFFAOYSA-N -2 0 341.307 2.609 20 0 EFADRL CN(C)C(=O)c1cccc([N-]S(=O)(=O)/C=C/c2ccccc2)c1[O-] ZINC001253047050 1315560769 /nfs/dbraw/zinc/56/07/69/1315560769.db2.gz LCEWIOGRRYBYMP-VAWYXSNFSA-N -2 0 346.408 2.507 20 0 EFADRL O=S(=O)(CCc1ccc(F)cc1)[N-]c1ncc(Cl)cc1[O-] ZINC001259754779 1316273222 /nfs/dbraw/zinc/27/32/22/1316273222.db2.gz FSCPPWVWJMABJO-UHFFFAOYSA-N -2 0 330.768 2.564 20 0 EFADRL O=S(=O)(CCc1cccc(F)c1)[N-]c1cc(F)cc(F)c1[O-] ZINC001259774106 1316276531 /nfs/dbraw/zinc/27/65/31/1316276531.db2.gz FMFLSGSFEMCBIS-UHFFFAOYSA-N -2 0 331.315 2.794 20 0 EFADRL CCc1c(Cl)cc([N-]S(=O)(=O)CCOC)c([O-])c1Cl ZINC001259972168 1316303260 /nfs/dbraw/zinc/30/32/60/1316303260.db2.gz SMGFXVTWMRULAK-UHFFFAOYSA-N -2 0 328.217 2.650 20 0 EFADRL CCOc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260189644 1316321427 /nfs/dbraw/zinc/32/14/27/1316321427.db2.gz SZWABNZBXQYBSV-UHFFFAOYSA-N -2 0 339.344 2.723 20 0 EFADRL CCC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260190937 1316321684 /nfs/dbraw/zinc/32/16/84/1316321684.db2.gz NYBFZKIHQYVYLJ-UHFFFAOYSA-N -2 0 333.365 2.778 20 0 EFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc3cccnc32)cc1 ZINC001260227691 1316324305 /nfs/dbraw/zinc/32/43/05/1316324305.db2.gz UAZUPHFHUZCXKM-UHFFFAOYSA-N -2 0 346.339 2.873 20 0 EFADRL CCn1cc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)cn1 ZINC001260868940 1316374720 /nfs/dbraw/zinc/37/47/20/1316374720.db2.gz TXEQUWBZQPNCIZ-UHFFFAOYSA-N -2 0 336.200 2.716 20 0 EFADRL Cc1nccc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)n1 ZINC001260867775 1316374973 /nfs/dbraw/zinc/37/49/73/1316374973.db2.gz HEKRKVJLMTYNNZ-UHFFFAOYSA-N -2 0 334.184 2.598 20 0 EFADRL O=S(=O)([N-][C@H]1[CH]CC=C1)c1c(F)cc(F)cc1Br ZINC001260912654 1316376446 /nfs/dbraw/zinc/37/64/46/1316376446.db2.gz WACRUIADRXOCKQ-MRVPVSSYSA-N -2 0 337.165 2.538 20 0 EFADRL CC(C)c1nc(C=Cc2cc(-c3nn[n-]n3)cs2)ncc1C(=O)[O-] ZINC000820201994 1428711898 /nfs/dbraw/zinc/71/18/98/1428711898.db2.gz DJYZETIMMMMSSV-ARJAWSKDSA-N -2 0 342.384 2.710 20 0 EFADRL CCc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1 ZINC000825716932 1429462406 /nfs/dbraw/zinc/46/24/06/1429462406.db2.gz DDRGAXUJPMPYLU-UHFFFAOYSA-N -2 0 343.412 2.538 20 0 EFADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000124350347 1424205043 /nfs/dbraw/zinc/20/50/43/1424205043.db2.gz OCNJFLRMKMVPPU-UHFFFAOYSA-N -2 0 349.803 2.629 20 0 EFADRL CC(C)c1nc(C=Cc2ccccc2-c2nn[n-]n2)ncc1C(=O)[O-] ZINC000824358275 1426279921 /nfs/dbraw/zinc/27/99/21/1426279921.db2.gz FMSRSVVMMVWZBY-FPLPWBNLSA-N -2 0 336.355 2.649 20 0 EFADRL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cccc(-c2nn[n-]n2)c1 ZINC000823357664 1426998280 /nfs/dbraw/zinc/99/82/80/1426998280.db2.gz XOEAZHYWBIOSRO-UHFFFAOYSA-N -2 0 338.352 2.549 20 0 EFADRL CC[C@H](C)C(=O)Nc1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825049293 1441616819 /nfs/dbraw/zinc/61/68/19/1441616819.db2.gz AHPSUKWIRDUMBM-VIFPVBQESA-N -2 0 328.401 2.975 20 0 EFADRL Cc1c(NC(=O)c2cc(F)cc(Cl)c2[O-])cccc1-c1nn[n-]n1 ZINC000822108405 1443434032 /nfs/dbraw/zinc/43/40/32/1443434032.db2.gz IWIVDLHWUDPQHO-UHFFFAOYSA-N -2 0 347.737 2.926 20 0 EFADRL CC(C)c1nc(C=Cc2cccc(-c3nn[n-]n3)c2)ncc1C(=O)[O-] ZINC000735939489 1447195764 /nfs/dbraw/zinc/19/57/64/1447195764.db2.gz JPFNRUMFYBUVBM-VOTSOKGWSA-N -2 0 336.355 2.649 20 0 EFADRL CCC[C@@H](NC(=O)c1cc(Cl)c2ccccc2c1[O-])c1nn[n-]n1 ZINC000678315899 1449527373 /nfs/dbraw/zinc/52/73/73/1449527373.db2.gz OXPCPDDRZZUWKM-CYBMUJFWSA-N -2 0 345.790 2.983 20 0 EFADRL O=C([O-])c1ccc(-c2nc3ccc(-c4nn[n-]n4)cc3[nH]2)c(Cl)c1 ZINC000826462429 1449904257 /nfs/dbraw/zinc/90/42/57/1449904257.db2.gz XXILZEHYHLVGFP-UHFFFAOYSA-N -2 0 340.730 2.762 20 0 EFADRL Cc1cc(=O)[nH]c([C@@H](C)Sc2nc(C)cc(C)c2-c2nn[n-]n2)n1 ZINC000822210907 1450227431 /nfs/dbraw/zinc/22/74/31/1450227431.db2.gz WDIMFPJTCTXWQC-SNVBAGLBSA-N -2 0 343.416 2.536 20 0 EFADRL O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc([O-])c(Cl)c1 ZINC000319635424 717421481 /nfs/dbraw/zinc/42/14/81/717421481.db2.gz BSDVLXKUASWBSB-CQSZACIVSA-N -2 0 331.755 2.697 20 0 EFADRL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1 ZINC000169875167 724568419 /nfs/dbraw/zinc/56/84/19/724568419.db2.gz GEWQHTOGXAHMCC-UHFFFAOYSA-N -2 0 335.381 2.974 20 0 EFADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000318902818 719428510 /nfs/dbraw/zinc/42/85/10/719428510.db2.gz QXZFAGQCZMSMNW-UHFFFAOYSA-N -2 0 344.751 2.682 20 0 EFADRL C[C@@]1(NC(=O)c2cc(F)c([O-])c(Cl)c2)CCCC[C@@H]1C(=O)[O-] ZINC000909539182 723550003 /nfs/dbraw/zinc/55/00/03/723550003.db2.gz WVFBPBXIHQSWTM-RFAUZJTJSA-N -2 0 329.755 2.948 20 0 EFADRL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1n[n-]c2ccccc2c1=O ZINC000163581137 727279650 /nfs/dbraw/zinc/27/96/50/727279650.db2.gz CAPKOOADSGUWKM-UHFFFAOYSA-N -2 0 338.348 2.605 20 0 EFADRL CC(C)c1ccc(CCC(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C(=O)[O-])cc1 ZINC000910187318 727418425 /nfs/dbraw/zinc/41/84/25/727418425.db2.gz CPVWOQHVYAXSRH-HOTGVXAUSA-N -2 0 347.411 2.519 20 0 EFADRL O=C([O-])C[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)C1CCCC1 ZINC000910566552 727450581 /nfs/dbraw/zinc/45/05/81/727450581.db2.gz HZCZBUFDVYTTPP-GFCCVEGCSA-N -2 0 329.755 2.948 20 0 EFADRL O=C([O-])C1(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)CCOCC1 ZINC000911154427 727503372 /nfs/dbraw/zinc/50/33/72/727503372.db2.gz NQPFRRIBEKETED-UHFFFAOYSA-N -2 0 334.155 2.519 20 0 EFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)sc1Cl ZINC000231806424 728636297 /nfs/dbraw/zinc/63/62/97/728636297.db2.gz ARWMBFPVWWQHJL-UHFFFAOYSA-N -2 0 347.801 2.915 20 0 EFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cn1 ZINC000322409573 970883858 /nfs/dbraw/zinc/88/38/58/970883858.db2.gz YLQADSNRADCDDC-UHFFFAOYSA-N -2 0 328.349 2.734 20 0 EFADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000323145009 970970701 /nfs/dbraw/zinc/97/07/01/970970701.db2.gz GGXLIIHMCNRGSB-UHFFFAOYSA-N -2 0 335.381 2.811 20 0 EFADRL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001601422463 970988985 /nfs/dbraw/zinc/98/89/85/970988985.db2.gz QYOFYBUUGFBCJL-CYBMUJFWSA-N -2 0 342.376 2.542 20 0 EFADRL O=C([O-])[C@@H](NC(=O)c1cccc(C(F)(F)F)c1[O-])c1ccccc1 ZINC001601568927 971018374 /nfs/dbraw/zinc/01/83/74/971018374.db2.gz ZEQFXPJIBASIQG-LBPRGKRZSA-N -2 0 339.269 2.967 20 0 EFADRL Cc1nc2cc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)ccc2[nH]1 ZINC000324851591 971163387 /nfs/dbraw/zinc/16/33/87/971163387.db2.gz HDZWWRALNCYIAN-UHFFFAOYSA-N -2 0 349.343 2.509 20 0 EFADRL Cc1nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3F)ccc2[nH]1 ZINC000325565593 971227000 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ZINC001610064243 1098536195 /nfs/dbraw/zinc/53/61/95/1098536195.db2.gz WEVUHQIAWUYFKZ-CMPLNLGQSA-N -2 0 334.372 2.522 20 0 EFADRL CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1cccc2c1OCC2 ZINC001610068750 1098537479 /nfs/dbraw/zinc/53/74/79/1098537479.db2.gz YENCJGOTADXENZ-UHFFFAOYSA-N -2 0 347.392 2.683 20 0 EFADRL CCc1nc(C)c([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])s1 ZINC001610074145 1098540235 /nfs/dbraw/zinc/54/02/35/1098540235.db2.gz PKFWEDVRZHWPBH-UHFFFAOYSA-N -2 0 340.426 2.821 20 0 EFADRL COc1ccc(S(=O)(=O)[N-]c2scc(C)c2C(=O)[O-])c(C)c1 ZINC001610349164 1098630857 /nfs/dbraw/zinc/63/08/57/1098630857.db2.gz HXLWNCPBJXGQIE-UHFFFAOYSA-N -2 0 341.410 2.873 20 0 EFADRL COc1ccsc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1Cl ZINC001610368226 1098642960 /nfs/dbraw/zinc/64/29/60/1098642960.db2.gz CMWWLIJEBFDMDC-UHFFFAOYSA-N -2 0 347.801 2.909 20 0 EFADRL COc1ccsc1S(=O)(=O)[N-]c1ccc([C@@H](C)C(=O)[O-])cc1 ZINC001610369279 1098644712 /nfs/dbraw/zinc/64/47/12/1098644712.db2.gz RJAXMMGOFGFHKA-SECBINFHSA-N -2 0 341.410 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O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)s1 ZINC001610840087 1098926685 /nfs/dbraw/zinc/92/66/85/1098926685.db2.gz QDLABBVKYJXPNY-UHFFFAOYSA-N -2 0 349.393 2.637 20 0 EFADRL O=C([O-])c1cccc(CCNC(=O)c2cc(F)c([O-])c(Cl)c2)c1 ZINC001610846602 1098932384 /nfs/dbraw/zinc/93/23/84/1098932384.db2.gz VCQKIQSQENKFMK-UHFFFAOYSA-N -2 0 337.734 2.855 20 0 EFADRL O=C([O-])c1ccccc1OCCSc1nc(C2CC2)cc(=O)[nH]1 ZINC001610853405 1098937496 /nfs/dbraw/zinc/93/74/96/1098937496.db2.gz RFWOLHBCLSBVFP-UHFFFAOYSA-N -2 0 332.381 2.929 20 0 EFADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccnc(-c3ccccc3)c2)c1 ZINC001610866870 1098945816 /nfs/dbraw/zinc/94/58/16/1098945816.db2.gz GCLIXMJJHRFRRF-UHFFFAOYSA-N -2 0 344.348 2.841 20 0 EFADRL O=C([O-])c1sccc1[N-]S(=O)(=O)c1ccccc1OC(F)F ZINC001610875576 1098951310 /nfs/dbraw/zinc/95/13/10/1098951310.db2.gz QZCUPDFONJFDNW-UHFFFAOYSA-N -2 0 349.336 2.849 20 0 EFADRL O=C([O-])c1cc(F)ccc1COC(=O)c1cc(F)c([O-])c(F)c1 ZINC001610880332 1098955524 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ZINC001595022496 979106381 /nfs/dbraw/zinc/10/63/81/979106381.db2.gz COXRRLJFIYRNQT-SNVBAGLBSA-N -2 0 337.401 2.662 20 0 EFADRL CC[C@H](C)n1nc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1C ZINC001595022489 979106387 /nfs/dbraw/zinc/10/63/87/979106387.db2.gz COXRRLJFIYRNQT-JTQLQIEISA-N -2 0 337.401 2.662 20 0 EFADRL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1C ZINC001595028300 979151059 /nfs/dbraw/zinc/15/10/59/979151059.db2.gz LCKBRHMJKYYRNB-JTQLQIEISA-N -2 0 337.401 2.662 20 0 EFADRL C[C@H](Cc1ccc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1)C(=O)[O-] ZINC001592858654 979674829 /nfs/dbraw/zinc/67/48/29/979674829.db2.gz SEILERZSDABMJQ-XIKOKIGWSA-N -2 0 331.368 2.699 20 0 EFADRL C[C@H](Cc1ccc(NC(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)cc1)C(=O)[O-] ZINC001592861195 979696587 /nfs/dbraw/zinc/69/65/87/979696587.db2.gz PYRSYASZYJFAFF-ZOWXZIJZSA-N -2 0 348.399 2.524 20 0 EFADRL C[C@H](Cc1ccc(NC(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)cc1)C(=O)[O-] ZINC001592861194 979696786 /nfs/dbraw/zinc/69/67/86/979696786.db2.gz PYRSYASZYJFAFF-YWPYICTPSA-N -2 0 348.399 2.524 20 0 EFADRL CC[C@H](C)[C@H](NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C(=O)[O-] ZINC000874964194 980199566 /nfs/dbraw/zinc/19/95/66/980199566.db2.gz JXVGBNCQMNWLGZ-QFYYESIMSA-N -2 0 345.351 2.694 20 0 EFADRL CC[C@](NC(=O)c1cc(F)cc(F)c1[O-])(C(=O)[O-])c1ccccc1 ZINC001595264666 980270652 /nfs/dbraw/zinc/27/06/52/980270652.db2.gz AKOTVZNNBLNQMN-QGZVFWFLSA-N -2 0 335.306 2.790 20 0 EFADRL CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC001595367864 980820391 /nfs/dbraw/zinc/82/03/91/980820391.db2.gz HEYJRULXLSQZER-QGZVFWFLSA-N -2 0 334.372 2.802 20 0 EFADRL CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC001595367863 980820582 /nfs/dbraw/zinc/82/05/82/980820582.db2.gz HEYJRULXLSQZER-KRWDZBQOSA-N -2 0 334.372 2.802 20 0 EFADRL CCCCC1CCC(C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-])CC1 ZINC001595660436 982070132 /nfs/dbraw/zinc/07/01/32/982070132.db2.gz DUGXUWDRAVJOCY-UHFFFAOYSA-N -2 0 347.477 2.540 20 0 EFADRL CC[C@H](C)[C@@H]([N-]S(=O)(=O)CCCCCC(=O)[O-])C(F)(F)F ZINC001594921282 982468311 /nfs/dbraw/zinc/46/83/11/982468311.db2.gz OUJOQEIPCBDZNF-GXSJLCMTSA-N -2 0 333.372 2.528 20 0 EFADRL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)C(F)(F)F ZINC001594921348 982468823 /nfs/dbraw/zinc/46/88/23/982468823.db2.gz PTACYEIZXHOKST-RCOVLWMOSA-N -2 0 345.364 2.702 20 0 EFADRL CC[C@H](C)CCCCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001594959571 982708783 /nfs/dbraw/zinc/70/87/83/982708783.db2.gz YHHUQGRZPWPKGF-JTQLQIEISA-N -2 0 347.458 2.858 20 0 EFADRL CC[C@H](C)N(CC(=O)[O-])C(=O)c1cc(Br)cc(F)c1[O-] ZINC001594975588 982751311 /nfs/dbraw/zinc/75/13/11/982751311.db2.gz NJFANOXBOJVRRD-ZETCQYMHSA-N -2 0 348.168 2.619 20 0 EFADRL CC[C@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001595009360 982934531 /nfs/dbraw/zinc/93/45/31/982934531.db2.gz WIKLCFAWLRUDRQ-JTQLQIEISA-N -2 0 339.369 2.956 20 0 EFADRL CCN(C(=O)c1cc(Br)c(F)cc1[O-])C(C)(C)C(=O)[O-] ZINC001596161059 983524635 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CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc3oc(=O)nc-3[n-]2)cc1 ZINC001589638713 987561573 /nfs/dbraw/zinc/56/15/73/987561573.db2.gz TWPQYPKTPIWXJK-UHFFFAOYSA-N -2 0 341.323 2.543 20 0 EFADRL CCc1cc(C(=O)[O-])ccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@]1(C)C(=O)[O-] ZINC001597465091 987902516 /nfs/dbraw/zinc/90/25/16/987902516.db2.gz QUSSNRFTVOCTTE-UTKHUVCWSA-N -2 0 343.379 2.799 20 0 EFADRL CC(C)(C)C[C@H](NC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC001589750736 988046044 /nfs/dbraw/zinc/04/60/44/988046044.db2.gz AUBICQAOVOBPEX-JTQLQIEISA-N -2 0 344.205 2.774 20 0 EFADRL CCc1ccc(S(=O)(=O)C=C([O-])c2cccc(C(=O)[O-])c2)cc1 ZINC001597557751 988298585 /nfs/dbraw/zinc/29/85/85/988298585.db2.gz OSCHGTKQUCXDFZ-UHFFFAOYSA-N -2 0 332.377 2.604 20 0 EFADRL CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001589840118 988329476 /nfs/dbraw/zinc/32/94/76/988329476.db2.gz OSYVWQWXXUSWDE-UHFFFAOYSA-N -2 0 338.385 2.989 20 0 EFADRL CSc1ccc(NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])cc1C(=O)[O-] ZINC001599816454 988433914 /nfs/dbraw/zinc/43/39/14/988433914.db2.gz XHADPEJOPUUMDE-JGVFFNPUSA-N -2 0 343.426 2.640 20 0 EFADRL CCc1ccccc1-n1cc([O-])c(C(=O)N[C@](C)(CC)CC(=O)[O-])n1 ZINC001597604071 988478762 /nfs/dbraw/zinc/47/87/62/988478762.db2.gz CBFYPUFOCBLOOI-GOSISDBHSA-N -2 0 345.399 2.514 20 0 EFADRL CCc1ccccc1S(=O)(=O)[N-]c1nc(CCC(=O)[O-])cs1 ZINC001597621751 988553220 /nfs/dbraw/zinc/55/32/20/988553220.db2.gz RVKROFKXUPETGH-UHFFFAOYSA-N -2 0 340.426 2.524 20 0 EFADRL CSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1 ZINC001599823483 988555136 /nfs/dbraw/zinc/55/51/36/988555136.db2.gz RCMHZOFQFITENI-UHFFFAOYSA-N -2 0 338.410 2.611 20 0 EFADRL CCc1ncc(S(=O)(=O)[N-]c2cc(C)sc2C(=O)[O-])s1 ZINC001597702879 988933931 /nfs/dbraw/zinc/93/39/31/988933931.db2.gz PQRIOURQCYXYBJ-UHFFFAOYSA-N -2 0 332.428 2.574 20 0 EFADRL CCc1ncsc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001597711752 988970841 /nfs/dbraw/zinc/97/08/41/988970841.db2.gz CFSAPEMHQUTHEH-UHFFFAOYSA-N -2 0 346.817 2.858 20 0 EFADRL C[C@@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@@H](C(=O)[O-])O1 ZINC001599862903 989199414 /nfs/dbraw/zinc/19/94/14/989199414.db2.gz PMXAMGDLTTZVGS-OTYXRUKQSA-N -2 0 349.770 2.513 20 0 EFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cncc(Cl)c1C ZINC001597790730 989315180 /nfs/dbraw/zinc/31/51/80/989315180.db2.gz HPGRQCOYGNKQMO-UHFFFAOYSA-N -2 0 344.776 2.698 20 0 EFADRL CC(C)(C)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1O ZINC001590498607 990108256 /nfs/dbraw/zinc/10/82/56/990108256.db2.gz CWXHNOHUSQNVOF-UHFFFAOYSA-N -2 0 339.369 2.782 20 0 EFADRL CC(C)C[C@@](C)(CC(=O)[O-])C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC001591129717 991818811 /nfs/dbraw/zinc/81/88/11/991818811.db2.gz AKAOWJFBQAFNGJ-INIZCTEOSA-N -2 0 325.336 2.990 20 0 EFADRL CC(C)CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)nc1 ZINC001591266294 992178276 /nfs/dbraw/zinc/17/82/76/992178276.db2.gz APRVPHSYNOZMFM-UHFFFAOYSA-N -2 0 338.385 2.762 20 0 EFADRL CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1cc(F)c([O-])c(F)c1 ZINC001591313363 992276211 /nfs/dbraw/zinc/27/62/11/992276211.db2.gz YTOYDGFHHZTAFE-UHFFFAOYSA-N -2 0 329.343 2.879 20 0 EFADRL COc1ccc(F)cc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001599582562 993570537 /nfs/dbraw/zinc/57/05/37/993570537.db2.gz CLBWOSAAGIPLEL-UHFFFAOYSA-N -2 0 339.344 2.642 20 0 EFADRL COc1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c(C(=O)[O-])c1 ZINC001599589306 993656770 /nfs/dbraw/zinc/65/67/70/993656770.db2.gz FMINVSIHOFOSPV-ZDUSSCGKSA-N -2 0 343.335 2.590 20 0 EFADRL C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccc(OCC(=O)[O-])cc1 ZINC001593173934 994040978 /nfs/dbraw/zinc/04/09/78/994040978.db2.gz ZHWDRCCZAMINPY-JTQLQIEISA-N -2 0 349.770 3.000 20 0 EFADRL C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)[N-]OCCCC(=O)[O-] ZINC001593639050 995939277 /nfs/dbraw/zinc/93/92/77/995939277.db2.gz BZDJUBAMWHQHIZ-MRVPVSSYSA-N -2 0 336.171 2.673 20 0 EFADRL C[C@@H](S[C@H](C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C(=O)[O-] ZINC001593659468 996035449 /nfs/dbraw/zinc/03/54/49/996035449.db2.gz UBNAZBCBXCKIMC-RNFRBKRXSA-N -2 0 331.777 2.572 20 0 EFADRL CC1(C(=O)[O-])CCN(C(=O)Nc2ccc(Cl)cc2C(=O)[O-])CC1 ZINC001593790203 996505765 /nfs/dbraw/zinc/50/57/65/996505765.db2.gz RXMFKYNPHRZDRX-UHFFFAOYSA-N -2 0 340.763 2.757 20 0 EFADRL CC1(C)CCC[C@@](NC(=O)c2cc(F)cc(F)c2[O-])(C(=O)[O-])C1 ZINC001593893031 996745026 /nfs/dbraw/zinc/74/50/26/996745026.db2.gz WGRDVKQRRPCSDV-INIZCTEOSA-N -2 0 327.327 2.824 20 0 EFADRL CC1(C)CCC[C@](NC(=O)c2cc(F)cc(F)c2[O-])(C(=O)[O-])C1 ZINC001593893032 996745295 /nfs/dbraw/zinc/74/52/95/996745295.db2.gz WGRDVKQRRPCSDV-MRXNPFEDSA-N -2 0 327.327 2.824 20 0 EFADRL COCc1nc(NC(=O)c2ccc(Cl)cc2[O-])sc1C(=O)[O-] ZINC001599301620 997243628 /nfs/dbraw/zinc/24/36/28/997243628.db2.gz JTXPORXBBREARI-UHFFFAOYSA-N -2 0 342.760 2.599 20 0 EFADRL COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c(C)cc1C ZINC001599445037 997994888 /nfs/dbraw/zinc/99/48/88/997994888.db2.gz WGSZKFMFNQJYDN-UHFFFAOYSA-N -2 0 339.369 2.712 20 0 EFADRL COC(=O)c1cc(NC(=O)c2ccc([O-])c(Cl)c2)cc(C(=O)[O-])c1 ZINC001598948012 998092704 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20 0 EFADRL C[C@H]1CC[C@@](NC(=O)c2ccc3oc(=S)[n-]c3c2)(C(=O)[O-])CC1 ZINC001599908026 1094699896 /nfs/dbraw/zinc/69/98/96/1094699896.db2.gz WRWOXBNGJOOZAK-QLKSEXHHSA-N -2 0 334.397 2.880 20 0 EFADRL C[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2[O-])C[C@H]1CC(=O)[O-] ZINC001599863821 1094699987 /nfs/dbraw/zinc/69/99/87/1094699987.db2.gz ZAVHFMRMZGIOFS-RKDXNWHRSA-N -2 0 331.290 2.594 20 0 EFADRL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(C2CC2)ccn1 ZINC001599999605 1094710257 /nfs/dbraw/zinc/71/02/57/1094710257.db2.gz NAKUAJDMNRDLOU-UHFFFAOYSA-N -2 0 332.381 2.766 20 0 EFADRL Cc1cc(C(=O)[O-])ccc1NC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC001600120505 1094783511 /nfs/dbraw/zinc/78/35/11/1094783511.db2.gz BSBIZYNNNXEOJU-ZDUSSCGKSA-N -2 0 334.372 2.944 20 0 EFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cncc2c1CCCC2 ZINC001600125343 1094786360 /nfs/dbraw/zinc/78/63/60/1094786360.db2.gz MTEZGHYPTRQQDE-UHFFFAOYSA-N -2 0 346.408 2.768 20 0 EFADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cnn(C2CCC2)c1 ZINC001600158965 1094821362 /nfs/dbraw/zinc/82/13/62/1094821362.db2.gz XNYRAPAZGVIYSX-UHFFFAOYSA-N -2 0 349.412 2.724 20 0 EFADRL Cc1cc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])ccc1C(=O)[O-] ZINC001600262872 1094921893 /nfs/dbraw/zinc/92/18/93/1094921893.db2.gz VRLLQUVMQYESKM-ZDUSSCGKSA-N -2 0 334.372 2.944 20 0 EFADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n[nH]c1C(C)C ZINC001600301663 1094954802 /nfs/dbraw/zinc/95/48/02/1094954802.db2.gz OWFKPYOOSKWCBW-UHFFFAOYSA-N -2 0 337.401 2.649 20 0 EFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c(O)c1 ZINC001600463509 1095085165 /nfs/dbraw/zinc/08/51/65/1095085165.db2.gz JXBBEUXYUNBGQX-UITAMQMPSA-N -2 0 333.365 2.599 20 0 EFADRL Cc1ccc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)cc1Cl ZINC001600463910 1095086692 /nfs/dbraw/zinc/08/66/92/1095086692.db2.gz BILRHIXYEDAPRG-UHFFFAOYSA-N -2 0 340.788 2.851 20 0 EFADRL Cc1ccc(S(=O)(=O)Nc2cc(O)ccc2C(=O)[O-])cc1Cl ZINC001600482734 1095098940 /nfs/dbraw/zinc/09/89/40/1095098940.db2.gz GCRRJXASNYNCSX-UHFFFAOYSA-N -2 0 341.772 2.853 20 0 EFADRL Cc1c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n[nH]c1C(C)C ZINC001600482694 1095098967 /nfs/dbraw/zinc/09/89/67/1095098967.db2.gz BFGPVIOSHOMGJG-UHFFFAOYSA-N -2 0 337.401 2.649 20 0 EFADRL Cc1ccc(S(=O)(=O)[N-]c2cnn([C@H](C)C3CC3)c2)c(C(=O)[O-])c1 ZINC001600483609 1095099453 /nfs/dbraw/zinc/09/94/53/1095099453.db2.gz BYHSVLJTHWHULI-LLVKDONJSA-N -2 0 349.412 2.662 20 0 EFADRL Cc1ccc2[nH]c([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)nc2c1 ZINC001600488732 1095103757 /nfs/dbraw/zinc/10/37/57/1095103757.db2.gz LFHKCOSHHUPUKB-UHFFFAOYSA-N -2 0 345.380 2.679 20 0 EFADRL Cc1ccc2[nH]c([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)nc2c1 ZINC001600489497 1095105099 /nfs/dbraw/zinc/10/50/99/1095105099.db2.gz YJMZHCLXUDETMW-UHFFFAOYSA-N -2 0 345.380 2.679 20 0 EFADRL Cc1cccc(F)c1S(=O)(=O)[N-]c1cccc(CCC(=O)[O-])c1 ZINC001600536608 1095145529 /nfs/dbraw/zinc/14/55/29/1095145529.db2.gz SWOHLFVVTFNFSI-UHFFFAOYSA-N -2 0 337.372 2.952 20 0 EFADRL Cc1cccc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)c1Cl ZINC001600550604 1095155964 /nfs/dbraw/zinc/15/59/64/1095155964.db2.gz HINLYAWNJRDETL-UHFFFAOYSA-N -2 0 326.761 2.542 20 0 EFADRL Cc1cccc(S(=O)(=O)[N-]c2nc(C3CC3)c(C(=O)[O-])s2)c1 ZINC001600550623 1095156314 /nfs/dbraw/zinc/15/63/14/1095156314.db2.gz IISNMEFMZPTBFV-UHFFFAOYSA-N -2 0 338.410 2.828 20 0 EFADRL Cc1ccnc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1C1CC1 ZINC001600600957 1095202726 /nfs/dbraw/zinc/20/27/26/1095202726.db2.gz VIRHITHHIYTIBQ-UHFFFAOYSA-N -2 0 338.410 2.828 20 0 EFADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccnc(Cl)c1C ZINC001600655356 1095239458 /nfs/dbraw/zinc/23/94/58/1095239458.db2.gz VVMTVOMNVUVMRL-UHFFFAOYSA-N -2 0 346.817 2.912 20 0 EFADRL Cc1csc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c1 ZINC001600664782 1095247258 /nfs/dbraw/zinc/24/72/58/1095247258.db2.gz QXAAQNZKHQUABR-UHFFFAOYSA-N -2 0 341.410 2.711 20 0 EFADRL Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@@H](C(=O)[O-])C3CCC3)c12 ZINC001600715169 1095284030 /nfs/dbraw/zinc/28/40/30/1095284030.db2.gz PKRBMLSYJNNTEZ-SNVBAGLBSA-N -2 0 349.412 2.919 20 0 EFADRL Cc1ncc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2Cl)s1 ZINC001600746629 1095305823 /nfs/dbraw/zinc/30/58/23/1095305823.db2.gz BIRLBEUYSDMIAB-UHFFFAOYSA-N -2 0 332.790 2.604 20 0 EFADRL Cc1noc(C(C)C)c1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001600806018 1095343464 /nfs/dbraw/zinc/34/34/64/1095343464.db2.gz YDZQYLXDPSZUTE-UHFFFAOYSA-N -2 0 330.387 2.667 20 0 EFADRL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C(=O)CCCCCC(C)C ZINC001600834411 1095367758 /nfs/dbraw/zinc/36/77/58/1095367758.db2.gz PEYQMMHMBBNBIW-UHFFFAOYSA-N -2 0 345.417 2.698 20 0 EFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cccc(C3CC3)n2)c1C(=O)[O-] ZINC001600838153 1095370302 /nfs/dbraw/zinc/37/03/02/1095370302.db2.gz GSYDVTSUSPYTNT-UHFFFAOYSA-N -2 0 336.369 2.668 20 0 EFADRL Cc1oc(S(=O)(=O)[N-]c2ncc(C(C)(C)C)s2)cc1C(=O)[O-] ZINC001600856523 1095385818 /nfs/dbraw/zinc/38/58/18/1095385818.db2.gz CPELEEUOYYWDRB-UHFFFAOYSA-N -2 0 344.414 2.841 20 0 EFADRL Cc1sc(C(=O)[O-])cc1NC(=O)CSc1n[n-]c(=S)s1 ZINC001600870504 1095395242 /nfs/dbraw/zinc/39/52/42/1095395242.db2.gz YRHHICIMOYYDHD-UHFFFAOYSA-N -2 0 347.468 2.626 20 0 EFADRL Cc1sc([C@@H]2CCCN2c2ccc(C(=O)[O-])cn2)nc1C(=O)[O-] ZINC001600884669 1095405297 /nfs/dbraw/zinc/40/52/97/1095405297.db2.gz MCKOQQDHYLPBCR-JTQLQIEISA-N -2 0 333.369 2.584 20 0 EFADRL Cc1sc(NC(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c(C(=O)[O-])c1C ZINC001600887019 1095408924 /nfs/dbraw/zinc/40/89/24/1095408924.db2.gz HHNKHWHHARLJFI-GMSGAONNSA-N -2 0 340.401 2.638 20 0 EFADRL O=C([O-])[C@@H](CF)NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001601419304 1095666495 /nfs/dbraw/zinc/66/64/95/1095666495.db2.gz LTCBDKSLSLROHH-CYBMUJFWSA-N -2 0 337.734 2.865 20 0 EFADRL O=C([O-])[C@H](CNC(=O)c1cccc(Cl)c1[O-])c1ccc(F)cc1 ZINC001601458405 1095685278 /nfs/dbraw/zinc/68/52/78/1095685278.db2.gz NLEOOXNKMKSYKC-GFCCVEGCSA-N -2 0 337.734 2.783 20 0 EFADRL O=C([O-])c1ccc(CNC(=O)c2cc(F)c([O-])c(Cl)c2)s1 ZINC001601536273 1095722373 /nfs/dbraw/zinc/72/23/73/1095722373.db2.gz PGMUWEYMBGALIF-UHFFFAOYSA-N -2 0 329.736 2.874 20 0 EFADRL O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC001601569464 1095737381 /nfs/dbraw/zinc/73/73/81/1095737381.db2.gz VNFWBCKOMOWKIO-MNOVXSKESA-N -2 0 334.397 2.880 20 0 EFADRL O=C([O-])[C@@H](C(=O)Nc1ccc([C@@H]2C[C@H]2C(=O)[O-])cc1)C1CCCC1 ZINC001601635326 1095775991 /nfs/dbraw/zinc/77/59/91/1095775991.db2.gz DJRMJDBAVWVGDL-RRFJBIMHSA-N -2 0 331.368 2.704 20 0 EFADRL O=C([O-])[C@H]1CCCCCN1C(=O)c1cccc(Br)c1[O-] ZINC001601817103 1095919734 /nfs/dbraw/zinc/91/97/34/1095919734.db2.gz QHFKYFOXRRULNL-LLVKDONJSA-N -2 0 342.189 2.624 20 0 EFADRL O=C([O-])[C@@H]1CCN(C(=O)Nc2cccc3ccccc32)[C@H](C(=O)[O-])C1 ZINC001601824304 1095922417 /nfs/dbraw/zinc/92/24/17/1095922417.db2.gz ZPGALLSJVMXUTM-DOMZBBRYSA-N -2 0 342.351 2.622 20 0 EFADRL O=C([O-])[C@@H]1Cc2ccccc2N(C(=O)c2cccc(Cl)c2[O-])C1 ZINC001601866287 1095943131 /nfs/dbraw/zinc/94/31/31/1095943131.db2.gz OIAKWOLTJWBAQE-LLVKDONJSA-N -2 0 331.755 2.949 20 0 EFADRL O=C([O-])C[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1cccs1 ZINC001601904344 1095969023 /nfs/dbraw/zinc/96/90/23/1095969023.db2.gz YVXLYERCBOGBCG-QMMMGPOBSA-N -2 0 345.298 2.817 20 0 EFADRL O=C([O-])C[C@@H]1CCCN(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC001601952668 1095991876 /nfs/dbraw/zinc/99/18/76/1095991876.db2.gz UKHDFZUDFJWYAH-VIFPVBQESA-N -2 0 340.763 2.757 20 0 EFADRL O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(F)c1[O-] ZINC001601971624 1095997778 /nfs/dbraw/zinc/99/77/78/1095997778.db2.gz GJKUBTQZBYJDCE-ZDUSSCGKSA-N -2 0 331.343 2.737 20 0 EFADRL O=C([O-])CCCCC(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001601982322 1096006042 /nfs/dbraw/zinc/00/60/42/1096006042.db2.gz YJQFQLXMWCGORB-UHFFFAOYSA-N -2 0 335.381 2.861 20 0 EFADRL O=C([O-])CCCCCNC(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC001601985277 1096008528 /nfs/dbraw/zinc/00/85/28/1096008528.db2.gz PLEMNFGALMMKBI-UHFFFAOYSA-N -2 0 346.742 2.944 20 0 EFADRL O=C([O-])CCCO[N-]C(=O)C1(c2ccc(F)cc2F)CCCC1 ZINC001601995689 1096011805 /nfs/dbraw/zinc/01/18/05/1096011805.db2.gz XMEGCNNZYPXMHY-UHFFFAOYSA-N -2 0 327.327 2.689 20 0 EFADRL O=C([O-])CCCO[N-]C(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC001601995051 1096012142 /nfs/dbraw/zinc/01/21/42/1096012142.db2.gz OCAADNAFCKNHAG-UHFFFAOYSA-N -2 0 349.280 2.789 20 0 EFADRL O=C([O-])CCCc1csc(NC(=O)c2conc2C(F)(F)F)n1 ZINC001602000654 1096015339 /nfs/dbraw/zinc/01/53/39/1096015339.db2.gz NNSCWAQPOGFOSF-UHFFFAOYSA-N -2 0 349.290 2.810 20 0 EFADRL O=C([O-])CCSc1cc(Cl)ccc1NC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC001602031298 1096026241 /nfs/dbraw/zinc/02/62/41/1096026241.db2.gz SEGRYWKOWMFTQI-BDAKNGLRSA-N -2 0 343.788 2.566 20 0 EFADRL O=C([O-])CSCc1cccc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)c1 ZINC001602101315 1096062106 /nfs/dbraw/zinc/06/21/06/1096062106.db2.gz RJGYQBYHTVGTFX-QGZVFWFLSA-N -2 0 349.408 2.754 20 0 EFADRL O=C([O-])[C@@H]1CN(C(=O)c2c([O-])cc(F)cc2F)C[C@@H]1c1ccccc1 ZINC001602185611 1096107581 /nfs/dbraw/zinc/10/75/81/1096107581.db2.gz TULMPJDAXVSXQS-CHWSQXEVSA-N -2 0 347.317 2.611 20 0 EFADRL O=C([O-])[C@@H]1C[C@@H]1c1nc(-c2cc(F)c([O-])c(Br)c2)no1 ZINC001602194111 1096111926 /nfs/dbraw/zinc/11/19/26/1096111926.db2.gz LDGVSAILGJWBGS-NTSWFWBYSA-N -2 0 343.108 2.532 20 0 EFADRL O=C([O-])c1cc(NC(=O)N2CCC(C(=O)[O-])CC2)cc(F)c1Cl ZINC001602279495 1096157800 /nfs/dbraw/zinc/15/78/00/1096157800.db2.gz IHFBXGSXQXSGNN-UHFFFAOYSA-N -2 0 344.726 2.506 20 0 EFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncsc2C2CC2)ccc1F ZINC001602297464 1096164595 /nfs/dbraw/zinc/16/45/95/1096164595.db2.gz JLGXISUOIOKRMJ-UHFFFAOYSA-N -2 0 342.373 2.659 20 0 EFADRL O=C([O-])c1cc2c(cc1NC(=O)c1cccc(F)c1[O-])OCCCO2 ZINC001602301698 1096165587 /nfs/dbraw/zinc/16/55/87/1096165587.db2.gz WEOHOGFCQMWFCU-UHFFFAOYSA-N -2 0 347.298 2.643 20 0 EFADRL O=C([O-])c1ccc(/C=C\c2nc(C(=O)[O-])c(Br)s2)[nH]1 ZINC001602330969 1096182528 /nfs/dbraw/zinc/18/25/28/1096182528.db2.gz JIGZNPFOBCCSBA-RQOWECAXSA-N -2 0 343.158 2.801 20 0 EFADRL O=C([O-])c1ccc(CNC(=O)c2cc(F)c([O-])c(Cl)c2)c(F)c1 ZINC001602343946 1096192313 /nfs/dbraw/zinc/19/23/13/1096192313.db2.gz VTBCMSQTASHBSV-UHFFFAOYSA-N -2 0 341.697 2.952 20 0 EFADRL O=C([O-])c1ccc(CSCCCNC(=O)C(F)(F)F)c(F)c1 ZINC001602355506 1096201114 /nfs/dbraw/zinc/20/11/14/1096201114.db2.gz IPLSVVHLIQIDSC-UHFFFAOYSA-N -2 0 339.310 2.826 20 0 EFADRL O=C([O-])c1ccc(F)c(NC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC001602365803 1096207735 /nfs/dbraw/zinc/20/77/35/1096207735.db2.gz YBYIDQLNGUIRNS-UHFFFAOYSA-N -2 0 341.298 2.668 20 0 EFADRL O=C([O-])c1ccc(O)cc1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC001602386722 1096217968 /nfs/dbraw/zinc/21/79/68/1096217968.db2.gz CDNKUHXNTJGFNP-UHFFFAOYSA-N -2 0 345.735 2.684 20 0 EFADRL O=C([O-])c1ccc(O)cc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC001602385498 1096218043 /nfs/dbraw/zinc/21/80/43/1096218043.db2.gz KKVDECJKUATOPA-UHFFFAOYSA-N -2 0 345.735 2.684 20 0 EFADRL O=C([O-])c1ccc(S(=O)(=O)C=C([O-])c2sccc2Cl)cc1 ZINC001602392164 1096220573 /nfs/dbraw/zinc/22/05/73/1096220573.db2.gz OTRFMUTTXKGVOK-UHFFFAOYSA-N -2 0 344.797 2.756 20 0 EFADRL O=C([O-])c1ccc(S(=O)(=O)C=C([O-])c2c[nH]c3ccccc23)cc1 ZINC001602391899 1096220820 /nfs/dbraw/zinc/22/08/20/1096220820.db2.gz DHZHJJHROPYDPN-UHFFFAOYSA-N -2 0 343.360 2.523 20 0 EFADRL O=C([O-])c1cccc(C=Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1 ZINC001602434452 1096243699 /nfs/dbraw/zinc/24/36/99/1096243699.db2.gz QJSBWHUTASSOHE-DAXSKMNVSA-N -2 0 336.303 2.902 20 0 EFADRL O=C([O-])c1csc(S(=O)(=O)[N-]c2nccc3sccc32)c1 ZINC001602564657 1096301071 /nfs/dbraw/zinc/30/10/71/1096301071.db2.gz DBFZPBRYZQKJAN-UHFFFAOYSA-N -2 0 340.407 2.857 20 0 EFADRL O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)c2ccc(Cl)c([O-])c2)C1 ZINC001602625084 1096332679 /nfs/dbraw/zinc/33/26/79/1096332679.db2.gz SWTMZTQHRHEZOP-LBPRGKRZSA-N -2 0 337.681 2.525 20 0 EFADRL CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)cc1C ZINC001603112714 1096448218 /nfs/dbraw/zinc/44/82/18/1096448218.db2.gz WEEWYQWZTOBUHB-UHFFFAOYSA-N -2 0 337.353 2.598 20 0 EFADRL CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)CCCC(=O)[O-])cc1 ZINC001603539476 1096546780 /nfs/dbraw/zinc/54/67/80/1096546780.db2.gz RVBMQSJJNGKLNL-CQSZACIVSA-N -2 0 335.400 2.871 20 0 EFADRL CC(C)(C)c1ccc(SCC(=O)[N-]OCCCC(=O)[O-])cc1 ZINC001603543714 1096548096 /nfs/dbraw/zinc/54/80/96/1096548096.db2.gz OUARISMEPQZFDK-UHFFFAOYSA-N -2 0 325.430 2.989 20 0 EFADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cn2)s1 ZINC001603543245 1096548491 /nfs/dbraw/zinc/54/84/91/1096548491.db2.gz GDHGSUGQYDMABR-UHFFFAOYSA-N -2 0 340.426 2.940 20 0 EFADRL CC(C)C[C@@H](CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1F)C(=O)[O-] ZINC001603775509 1096623651 /nfs/dbraw/zinc/62/36/51/1096623651.db2.gz HJOSICMQZKCVPZ-QMMMGPOBSA-N -2 0 344.314 2.531 20 0 EFADRL CC(C)c1ccc(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)c(C(=O)[O-])c1 ZINC001604002291 1096693788 /nfs/dbraw/zinc/69/37/88/1096693788.db2.gz SEUDWFUPOLVQTR-QGZVFWFLSA-N -2 0 334.372 2.837 20 0 EFADRL CC(C)c1ccccc1NC(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC001604010131 1096696177 /nfs/dbraw/zinc/69/61/77/1096696177.db2.gz UXKGAWMFNJMTTC-RISCZKNCSA-N -2 0 334.372 2.592 20 0 EFADRL CC(C)c1ccccc1NC(=O)N1CC[C@H](C(=O)[O-])C[C@@H]1C(=O)[O-] 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1098537542 /nfs/dbraw/zinc/53/75/42/1098537542.db2.gz OFJOWZISRBUCBW-UHFFFAOYSA-N -2 0 334.397 2.705 20 0 EFADRL CCc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)n1 ZINC001610069510 1098537884 /nfs/dbraw/zinc/53/78/84/1098537884.db2.gz JDTCYAAEIAFURP-UHFFFAOYSA-N -2 0 344.389 2.652 20 0 EFADRL Cc1cc(NC(=O)c2cccc(Br)c2[O-])c(C(=O)[O-])[nH]1 ZINC001610474365 1098697266 /nfs/dbraw/zinc/69/72/66/1098697266.db2.gz VSYBMQXVAMPKQI-UHFFFAOYSA-N -2 0 339.145 2.742 20 0 EFADRL Cc1csc(C(=O)[O-])c1[N-]S(=O)(=O)c1cnc(Cl)c(C)c1 ZINC001610478063 1098699918 /nfs/dbraw/zinc/69/99/18/1098699918.db2.gz HYZFFSKDPCVXQF-UHFFFAOYSA-N -2 0 346.817 2.912 20 0 EFADRL Cc1ccc([C@H](NCc2nc(=O)c3sccc3[n-]2)C(=O)[O-])cc1C ZINC001610495147 1098712542 /nfs/dbraw/zinc/71/25/42/1098712542.db2.gz MHPRPYUNPBSXHG-AWEZNQCLSA-N -2 0 343.408 2.929 20 0 EFADRL Cc1ccc(F)cc1-c1nnc([N-]C(=O)c2cc(C(=O)[O-])no2)s1 ZINC001610503364 1098717718 /nfs/dbraw/zinc/71/77/18/1098717718.db2.gz BNHJSZXMLAGPAR-UHFFFAOYSA-N -2 0 348.315 2.591 20 0 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O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)cs1 ZINC000368788438 150203268 /nfs/dbraw/zinc/20/32/68/150203268.db2.gz SKZWGWWWHRGEBM-UHFFFAOYSA-N -2 0 349.393 2.637 20 0 EFADRL COc1ccc(C)cc1S(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-] ZINC000013464642 544426225 /nfs/dbraw/zinc/42/62/25/544426225.db2.gz DLDPDODDQUWRJS-UHFFFAOYSA-N -2 0 335.381 2.811 20 0 EFADRL CC(C)([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000277110567 267116150 /nfs/dbraw/zinc/11/61/50/267116150.db2.gz MKODIWQZZIRGPH-UHFFFAOYSA-N -2 0 347.318 2.512 20 0 EFADRL CCCCOc1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000299592169 311100368 /nfs/dbraw/zinc/10/03/68/311100368.db2.gz LCSVQCRSMIRENZ-UHFFFAOYSA-N -2 0 338.385 2.693 20 0 EFADRL CCCCOc1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000299628550 311104787 /nfs/dbraw/zinc/10/47/87/311104787.db2.gz RZCCVXWPNYDYTR-UHFFFAOYSA-N -2 0 338.385 2.693 20 0 EFADRL COc1cc([N-]S(=O)(=O)c2cccc(C)c2F)ccc1C(=O)[O-] ZINC000313206848 311231449 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CSCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000531285011 317245239 /nfs/dbraw/zinc/24/52/39/317245239.db2.gz UUKUDKZCNZGHIX-UHFFFAOYSA-N -2 0 341.410 2.950 20 0 EFADRL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2c(F)cccc2F)(CC(=O)[O-])C1 ZINC000547576617 318019480 /nfs/dbraw/zinc/01/94/80/318019480.db2.gz BTPZPHCDJAKTHF-BONVTDFDSA-N -2 0 347.383 2.524 20 0 EFADRL Cc1ccsc1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000547610368 318021662 /nfs/dbraw/zinc/02/16/62/318021662.db2.gz NPTOLDKZNZRTLO-UHFFFAOYSA-N -2 0 333.337 2.834 20 0 EFADRL C[C@H](Cc1ccc([N-]S(=O)(=O)[C@@H](C)C(F)(F)F)cc1)C(=O)[O-] ZINC000548262228 318087201 /nfs/dbraw/zinc/08/72/01/318087201.db2.gz JFXLHNUGXKQWJD-BDAKNGLRSA-N -2 0 339.335 2.642 20 0 EFADRL Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC000549732951 318181147 /nfs/dbraw/zinc/18/11/47/318181147.db2.gz SRFHXBAZFYOPQX-UHFFFAOYSA-N -2 0 346.293 2.722 20 0 EFADRL CCC[C@@H](CCCC[N-]S(=O)(=O)c1c(F)cccc1F)C(=O)[O-] ZINC000555955132 318375206 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ZSLSMXOWDONXAH-UHFFFAOYSA-N -2 0 328.349 2.745 20 0 EFADRL C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603239702 972381676 /nfs/dbraw/zinc/38/16/76/972381676.db2.gz WWIKQMVISUSNLF-INTQDDNPSA-N -2 0 325.792 2.911 20 0 EFADRL Cc1cccc(Cl)c1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134721700 958859095 /nfs/dbraw/zinc/85/90/95/958859095.db2.gz BDVKKKVXKMHLHM-UHFFFAOYSA-N -2 0 332.790 2.604 20 0 EFADRL CC(=O)c1cc(F)c([O-])c(NC(=O)C=Cc2ccc(C(=O)[O-])o2)c1 ZINC001588528239 958881718 /nfs/dbraw/zinc/88/17/18/958881718.db2.gz TUJVYRINLXZOFT-HWKANZROSA-N -2 0 333.271 2.677 20 0 EFADRL Cc1ccc(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)cc1C ZINC000392085022 972407923 /nfs/dbraw/zinc/40/79/23/972407923.db2.gz FRHORJRRSMITQL-UHFFFAOYSA-N -2 0 349.408 2.958 20 0 EFADRL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(Cl)n1 ZINC000193341388 959617758 /nfs/dbraw/zinc/61/77/58/959617758.db2.gz NPPOMWRBNYUJTB-UHFFFAOYSA-N -2 0 326.761 2.542 20 0 EFADRL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000218598886 959788760 /nfs/dbraw/zinc/78/87/60/959788760.db2.gz JFOTVCSTFNRQSA-UHFFFAOYSA-N -2 0 326.761 2.542 20 0 EFADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cc(Cl)ccn1 ZINC000235839224 960514644 /nfs/dbraw/zinc/51/46/44/960514644.db2.gz BLEROPRAECHTMI-UHFFFAOYSA-N -2 0 332.790 2.604 20 0 EFADRL Cc1cncc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)c1 ZINC001259212659 960665804 /nfs/dbraw/zinc/66/58/04/960665804.db2.gz MMUIGJJFELUAHO-UHFFFAOYSA-N -2 0 344.751 2.682 20 0 EFADRL O=C([O-])CCc1csc(NC(=O)c2ccc(Cl)c([O-])c2)n1 ZINC001571174135 962080620 /nfs/dbraw/zinc/08/06/20/962080620.db2.gz JALYZFXQOPQQKJ-UHFFFAOYSA-N -2 0 326.761 2.772 20 0 EFADRL O=C([O-])[C@H](CC1CCCCC1)NC(=O)c1cc(F)cc(F)c1[O-] ZINC001571174223 962084031 /nfs/dbraw/zinc/08/40/31/962084031.db2.gz MNVYKWBFPKNVKQ-ZDUSSCGKSA-N -2 0 327.327 2.824 20 0 EFADRL O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1cc(F)cc(Cl)c1[O-])C2 ZINC001571176763 962110893 /nfs/dbraw/zinc/11/08/93/962110893.db2.gz AAYPELMISKGXND-AYVTZFPOSA-N -2 0 327.739 2.512 20 0 EFADRL C[C@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@]1(C)C(=O)[O-] ZINC001571201498 962367699 /nfs/dbraw/zinc/36/76/99/962367699.db2.gz AREXYXAQGPAQEJ-WJWGPLDTSA-N -2 0 332.183 2.882 20 0 EFADRL O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)c1cccc(Cl)c1[O-] ZINC001571216549 962509738 /nfs/dbraw/zinc/50/97/38/962509738.db2.gz WQYNFUFCHXYIQK-GFCCVEGCSA-N -2 0 333.771 2.861 20 0 EFADRL C[C@@](CC(=O)Nc1ccccc1CC(=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001588994578 962832596 /nfs/dbraw/zinc/83/25/96/962832596.db2.gz XQCVOCZYZOBZLD-IBGZPJMESA-N -2 0 341.363 2.685 20 0 EFADRL C[C@@]([N-]C(=O)C(F)(F)F)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000309792746 963372352 /nfs/dbraw/zinc/37/23/52/963372352.db2.gz QUTDHIHWIKKACT-JTQLQIEISA-N -2 0 330.089 2.972 20 0 EFADRL CCc1nc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)sc1C ZINC000314750049 963803130 /nfs/dbraw/zinc/80/31/30/963803130.db2.gz DRJCOZMSCOERJQ-UHFFFAOYSA-N -2 0 340.426 2.821 20 0 EFADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000314747883 963803231 /nfs/dbraw/zinc/80/32/31/963803231.db2.gz PJYNCCHZVFZYEE-UHFFFAOYSA-N -2 0 345.373 2.785 20 0 EFADRL O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000315040344 963848965 /nfs/dbraw/zinc/84/89/65/963848965.db2.gz PRTNBXIIKATREC-LBPRGKRZSA-N -2 0 337.681 2.525 20 0 EFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cs1 ZINC000316383560 964007936 /nfs/dbraw/zinc/00/79/36/964007936.db2.gz XDQXEOPBZTYEQP-UHFFFAOYSA-N -2 0 334.378 2.795 20 0 EFADRL O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000823860728 969205689 /nfs/dbraw/zinc/20/56/89/969205689.db2.gz JGJXVHYVSQQZGE-LLVKDONJSA-N -2 0 334.397 2.976 20 0 EFADRL COc1ccc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])cc1F ZINC000318244647 970419369 /nfs/dbraw/zinc/41/93/69/970419369.db2.gz GAJPONTVOBAREU-UHFFFAOYSA-N -2 0 345.373 2.703 20 0 EFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(-c2cc[nH]n2)cc1 ZINC000320115161 970615984 /nfs/dbraw/zinc/61/59/84/970615984.db2.gz RUDGUQYZTVBHJE-UHFFFAOYSA-N -2 0 349.393 2.637 20 0 EFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(OCC(=O)[O-])c2)s1 ZINC000320688145 970699850 /nfs/dbraw/zinc/69/98/50/970699850.db2.gz MXNSZDIDHKJTBI-UHFFFAOYSA-N -2 0 341.410 2.629 20 0 EFADRL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]c2cncc3ccccc32)c1 ZINC000396539521 972914844 /nfs/dbraw/zinc/91/48/44/972914844.db2.gz ZDZWMDVWRUFTOE-UHFFFAOYSA-N -2 0 346.339 2.873 20 0 EFADRL Cc1ccc(C)c(C(=O)Nc2cccc(CC(=O)[O-])c2)c1C(=O)[O-] ZINC001605257118 973034557 /nfs/dbraw/zinc/03/45/57/973034557.db2.gz YFJNXBQHMMWHBD-UHFFFAOYSA-N -2 0 327.336 2.881 20 0 EFADRL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC001591761166 975847092 /nfs/dbraw/zinc/84/70/92/975847092.db2.gz HWYYOGZFXPIJSN-CHWSQXEVSA-N -2 0 347.367 2.778 20 0 EFADRL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001591778260 975937646 /nfs/dbraw/zinc/93/76/46/975937646.db2.gz QHHUOEIPBPPKKN-UHFFFAOYSA-N -2 0 343.332 2.705 20 0 EFADRL CC(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)o2)cn1 ZINC001591974140 976584507 /nfs/dbraw/zinc/58/45/07/976584507.db2.gz OKKUHAJGRNPHDY-UHFFFAOYSA-N -2 0 344.776 2.950 20 0 EFADRL CC(C)n1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)nc2ccccc21 ZINC001592121456 976929509 /nfs/dbraw/zinc/92/95/09/976929509.db2.gz VAMPTCVTYBSHFO-UHFFFAOYSA-N -2 0 349.368 2.709 20 0 EFADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccccc2Br)c1 ZINC000710673505 977518844 /nfs/dbraw/zinc/51/88/44/977518844.db2.gz BNGVGWYLBSDXJK-UHFFFAOYSA-N -2 0 346.158 2.541 20 0 EFADRL C[C@H](CN(C)C(=O)Nc1ccc(C(=O)[O-])c2ccccc12)C(=O)[O-] ZINC001592575343 978477823 /nfs/dbraw/zinc/47/78/23/978477823.db2.gz YOVKJKFHMAARDB-SNVBAGLBSA-N -2 0 330.340 2.722 20 0 EFADRL Cc1ccc([C@H](CNC(=O)c2c([O-])cc(F)cc2F)C(=O)[O-])cc1 ZINC000738561080 978560125 /nfs/dbraw/zinc/56/01/25/978560125.db2.gz POECDRLHITZCTJ-LBPRGKRZSA-N -2 0 335.306 2.577 20 0 EFADRL Cc1ccc([C@H](CNC(=O)c2ccc([O-])c(Cl)c2)C(=O)[O-])cc1 ZINC000738567663 978563255 /nfs/dbraw/zinc/56/32/55/978563255.db2.gz SQFPFDOBQWJAQQ-ZDUSSCGKSA-N -2 0 333.771 2.952 20 0 EFADRL O=C([O-])/C=C/c1cnc(/C=C\c2ccc(OCC(=O)[O-])cc2)s1 ZINC000751041717 978691018 /nfs/dbraw/zinc/69/10/18/978691018.db2.gz ZVWAGYUQVBGPME-SYTHDNBVSA-N -2 0 331.349 2.875 20 0 EFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c(Cl)n1 ZINC000800832729 978847401 /nfs/dbraw/zinc/84/74/01/978847401.db2.gz JJYPLLKHDFOBDZ-UHFFFAOYSA-N -2 0 340.788 2.851 20 0 EFADRL CCC(CC)(CC(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1)C(=O)[O-] ZINC001595047731 979259198 /nfs/dbraw/zinc/25/91/98/979259198.db2.gz GHMCCGMBPQUWRQ-UHFFFAOYSA-N -2 0 329.299 2.883 20 0 EFADRL C[C@H](Cc1ccc(NC(=O)N2CCC(C)(C(=O)[O-])CC2)cc1)C(=O)[O-] ZINC001592861225 979696845 /nfs/dbraw/zinc/69/68/45/979696845.db2.gz QIMOUWOGKBKDGY-GFCCVEGCSA-N -2 0 348.399 2.668 20 0 EFADRL CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)n[nH]1 ZINC001595578666 981502242 /nfs/dbraw/zinc/50/22/42/981502242.db2.gz GQLSHMWNVPFQFB-QMMMGPOBSA-N -2 0 341.389 2.714 20 0 EFADRL CCC[C@@H](CC)S(=O)(=O)C=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C ZINC001595587154 981539320 /nfs/dbraw/zinc/53/93/20/981539320.db2.gz CWJHKXBYFRTLHV-LLVKDONJSA-N -2 0 329.418 2.506 20 0 EFADRL CCCC[C@H](CC)CC(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001595632067 981848057 /nfs/dbraw/zinc/84/80/57/981848057.db2.gz QPGBCRCYQVOCJP-NSHDSACASA-N -2 0 345.417 2.698 20 0 EFADRL CCCCC1CCC(C(=O)[N-]S(=O)(=O)[C@H](C)[C@H](C)C(=O)[O-])CC1 ZINC001595660651 982072078 /nfs/dbraw/zinc/07/20/78/982072078.db2.gz LKHZHQMFZXFZDX-MRFVTOPCSA-N -2 0 347.477 2.538 20 0 EFADRL CCCCC[C@H](C)CC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001595666250 982098766 /nfs/dbraw/zinc/09/87/66/982098766.db2.gz GVTYVCOVSNXPMT-DWBBHFSCSA-N -2 0 339.432 2.617 20 0 EFADRL CCCCC[C@](C)(CC)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001595666633 982105830 /nfs/dbraw/zinc/10/58/30/982105830.db2.gz PNXYUJUWKJQBKY-HNNXBMFYSA-N -2 0 345.417 2.779 20 0 EFADRL CCCCc1cnc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)nc1 ZINC001595797239 982605846 /nfs/dbraw/zinc/60/58/46/982605846.db2.gz KNRYSLIGBFDGPZ-UHFFFAOYSA-N -2 0 349.412 2.627 20 0 EFADRL CCCN(C(=O)c1cc(Br)c(F)cc1[O-])[C@H](C)C(=O)[O-] ZINC001595824619 982705982 /nfs/dbraw/zinc/70/59/82/982705982.db2.gz NYRLKEOZPVBPNL-SSDOTTSWSA-N -2 0 348.168 2.619 20 0 EFADRL CCCN(C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])[C@H](C)C(=O)[O-] ZINC001595826149 982708891 /nfs/dbraw/zinc/70/88/91/982708891.db2.gz BPGMQBZDJBKNLD-LLVKDONJSA-N -2 0 345.351 2.790 20 0 EFADRL CCCc1c(C(=O)NCC(CC)(CC)C(=O)[O-])[nH]c(C)c1C(=O)[O-] ZINC001596037260 983318469 /nfs/dbraw/zinc/31/84/69/983318469.db2.gz JKUUQOPPFFSPMP-UHFFFAOYSA-N -2 0 338.404 2.595 20 0 EFADRL CCN(Cc1csc(-c2ccc(C(=O)[O-])cc2)n1)[C@H](C)C(=O)[O-] ZINC001596378484 983896869 /nfs/dbraw/zinc/89/68/69/983896869.db2.gz VKEFCKOLXRIMFR-SNVBAGLBSA-N -2 0 334.397 2.803 20 0 EFADRL CC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1C ZINC001589290951 986032845 /nfs/dbraw/zinc/03/28/45/986032845.db2.gz INVRRIQQYDIRFP-UHFFFAOYSA-N -2 0 337.353 2.598 20 0 EFADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC001589315881 986109928 /nfs/dbraw/zinc/10/99/28/986109928.db2.gz GUTSCIMENLJXBV-UHFFFAOYSA-N -2 0 337.353 2.598 20 0 EFADRL CC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001589316271 986110795 /nfs/dbraw/zinc/11/07/95/986110795.db2.gz OIQWILUJXCNJGA-UHFFFAOYSA-N -2 0 339.394 2.758 20 0 EFADRL C[C@@H](C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)C(C)(C)C ZINC001589424426 986692613 /nfs/dbraw/zinc/69/26/13/986692613.db2.gz VWACWVBKMYGSBB-QMMMGPOBSA-N -2 0 347.820 2.525 20 0 EFADRL C[C@@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnn(C3CCC3)c2)cc1 ZINC001589523876 987194734 /nfs/dbraw/zinc/19/47/34/987194734.db2.gz UEWFVPKPTQIZPM-LLVKDONJSA-N -2 0 349.412 2.597 20 0 EFADRL CCc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cnn(C(C)C)c2)s1 ZINC001597445334 987817091 /nfs/dbraw/zinc/81/70/91/987817091.db2.gz LHQIUEYCLZHVRC-UHFFFAOYSA-N -2 0 343.430 2.587 20 0 EFADRL CCc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cnc(CC)s2)s1 ZINC001597446051 987820861 /nfs/dbraw/zinc/82/08/61/987820861.db2.gz YCDWCMLRXLNFBA-UHFFFAOYSA-N -2 0 346.455 2.828 20 0 EFADRL CCc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC001597466213 987910269 /nfs/dbraw/zinc/91/02/69/987910269.db2.gz NEOBAGJMJCGUSJ-UHFFFAOYSA-N -2 0 337.401 2.525 20 0 EFADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)ccc1F ZINC001597482286 987977119 /nfs/dbraw/zinc/97/71/19/987977119.db2.gz DAJOWTOJLPZNCH-UHFFFAOYSA-N -2 0 327.333 2.789 20 0 EFADRL CSCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001599801980 988192321 /nfs/dbraw/zinc/19/23/21/988192321.db2.gz OFZYKTKQFAGBPM-UHFFFAOYSA-N -2 0 341.410 2.684 20 0 EFADRL CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1sc(C)nc1C ZINC001597578754 988376599 /nfs/dbraw/zinc/37/65/99/988376599.db2.gz KWFZDUQEENVMOQ-UHFFFAOYSA-N -2 0 340.426 2.821 20 0 EFADRL CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(Cl)nc1 ZINC001597579230 988380031 /nfs/dbraw/zinc/38/00/31/988380031.db2.gz UATWJSLUXMPTEF-UHFFFAOYSA-N -2 0 340.788 2.796 20 0 EFADRL CCc1csc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)n1 ZINC001597638724 988627371 /nfs/dbraw/zinc/62/73/71/988627371.db2.gz 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20 0 EFADRL O=C([O-])c1ccsc1NC(=O)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001602490393 1096271467 /nfs/dbraw/zinc/27/14/67/1096271467.db2.gz QPWDQJDXHKKLRE-UHFFFAOYSA-N -2 0 347.327 2.729 20 0 EFADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)c1 ZINC001602559369 1096298829 /nfs/dbraw/zinc/29/88/29/1096298829.db2.gz MJXUBFDIXKSTSO-UHFFFAOYSA-N -2 0 344.348 2.841 20 0 EFADRL O=C([O-])c1sc([N-]S(=O)(=O)c2ccoc2)nc1C1CCCC1 ZINC001602591750 1096311117 /nfs/dbraw/zinc/31/11/17/1096311117.db2.gz PLTRBSCQBLKKSA-UHFFFAOYSA-N -2 0 342.398 2.893 20 0 EFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc2scnc2c1 ZINC001602598013 1096314458 /nfs/dbraw/zinc/31/44/58/1096314458.db2.gz BOGFHUCHCXWNMF-UHFFFAOYSA-N -2 0 340.407 2.857 20 0 EFADRL CC(=O)c1c(C)oc2ncnc(Nc3nc(CC(=O)[O-])cs3)c21 ZINC001603098776 1096440274 /nfs/dbraw/zinc/44/02/74/1096440274.db2.gz VMRMSYJCHQVWID-UHFFFAOYSA-N -2 0 332.341 2.561 20 0 EFADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)cc1 ZINC001603267397 1096490049 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334.759 2.561 20 0 EFADRL C[C@H](CN(C)C(=O)Nc1cccc2cc(C(=O)[O-])sc21)C(=O)[O-] ZINC001604154219 1096755175 /nfs/dbraw/zinc/75/51/75/1096755175.db2.gz XLEJNMBBLMSNFY-MRVPVSSYSA-N -2 0 336.369 2.784 20 0 EFADRL C[C@@H](CN(Cc1ccccc1)C(=O)c1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC001604162314 1096758688 /nfs/dbraw/zinc/75/86/88/1096758688.db2.gz ZRLFMTRZZXLGQT-ZDUSSCGKSA-N -2 0 341.363 2.748 20 0 EFADRL C[C@H](CN(Cc1ccccc1)C(=O)c1cccc(C(=O)[O-])c1)C(=O)[O-] ZINC001604162312 1096759114 /nfs/dbraw/zinc/75/91/14/1096759114.db2.gz ZRLFMTRZZXLGQT-CYBMUJFWSA-N -2 0 341.363 2.748 20 0 EFADRL C[C@@H](Cc1ccc(NC(=O)NC[C@@H](C(=O)[O-])C2CCC2)cc1)C(=O)[O-] ZINC001604224750 1096778068 /nfs/dbraw/zinc/77/80/68/1096778068.db2.gz CQHJMVMDCBLHAA-XHDPSFHLSA-N -2 0 348.399 2.572 20 0 EFADRL CC[C@H](CC1CCCCC1)C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-] ZINC001605022360 1097003064 /nfs/dbraw/zinc/00/30/64/1097003064.db2.gz MWRRKVJBMZXUGH-SGMGOOAPSA-N -2 0 347.477 2.538 20 0 EFADRL CCCC[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-])C(C)C ZINC001605232285 1097061045 /nfs/dbraw/zinc/06/10/45/1097061045.db2.gz PQYVMKZLXHOCLJ-SNVBAGLBSA-N -2 0 347.458 2.714 20 0 EFADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c(F)c1 ZINC001605696671 1097197387 /nfs/dbraw/zinc/19/73/87/1097197387.db2.gz LROJVEQMWAMFBN-UHFFFAOYSA-N -2 0 343.332 2.625 20 0 EFADRL CCc1nc([N-]S(=O)(=O)c2cc(C)cc(F)c2)sc1C(=O)[O-] ZINC001605856496 1097254489 /nfs/dbraw/zinc/25/44/89/1097254489.db2.gz SHPZHTXSOXYZHS-UHFFFAOYSA-N -2 0 344.389 2.652 20 0 EFADRL CCc1nc([N-]S(=O)(=O)c2ccc(C)c(C)c2)sc1C(=O)[O-] ZINC001605855999 1097254569 /nfs/dbraw/zinc/25/45/69/1097254569.db2.gz JTBNXYGDJYGAJO-UHFFFAOYSA-N -2 0 340.426 2.821 20 0 EFADRL CCc1nccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001605862136 1097257541 /nfs/dbraw/zinc/25/75/41/1097257541.db2.gz QWQBPFFXOHAGTM-UHFFFAOYSA-N -2 0 344.776 2.698 20 0 EFADRL O=[P@@]([O-])(O)C1(Nc2cnc3c(c2)CN=N3)Cc2ccccc2C1 ZINC001167940297 1097397242 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EFADRL Cc1sc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])n2)c1C ZINC001608065935 1097823398 /nfs/dbraw/zinc/82/33/98/1097823398.db2.gz FNCXWTNEISSDMA-UHFFFAOYSA-N -2 0 326.399 2.567 20 0 EFADRL Nc1c([N-]S(=O)(=O)c2cc(F)ccc2Cl)cccc1C(=O)[O-] ZINC001608272093 1097876985 /nfs/dbraw/zinc/87/69/85/1097876985.db2.gz IORIENGNXRGLBQ-UHFFFAOYSA-N -2 0 344.751 2.560 20 0 EFADRL O=C([O-])c1c(F)ccc(NC(=O)CC2(C(=O)[O-])CCCC2)c1F ZINC001608289759 1097884171 /nfs/dbraw/zinc/88/41/71/1097884171.db2.gz CSIKZLRRQXIBSB-UHFFFAOYSA-N -2 0 327.283 2.637 20 0 EFADRL O=C([O-])[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[O-])c1ccccn1 ZINC001608388224 1097909472 /nfs/dbraw/zinc/90/94/72/1097909472.db2.gz JVNCPVZCACLBTG-LLVKDONJSA-N -2 0 341.150 2.650 20 0 EFADRL O=C([O-])c1cc(Cl)ccc1NC(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC001608418076 1097916347 /nfs/dbraw/zinc/91/63/47/1097916347.db2.gz GOHOINJQWQZZQA-LLVKDONJSA-N -2 0 340.763 2.661 20 0 EFADRL O=C([O-])c1cc(NC(=O)NC[C@H](C(=O)[O-])C2CCC2)ccc1Cl ZINC001608418749 1097916488 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347.396 2.507 20 0 EFADRL O=C([O-])C[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccncc1 ZINC001608671803 1097984957 /nfs/dbraw/zinc/98/49/57/1097984957.db2.gz GRKLTUUZSQCSRW-GFCCVEGCSA-N -2 0 338.722 2.526 20 0 EFADRL O=C([O-])CCCO[N-]C(=O)C(F)(F)c1cc(Cl)ccc1Cl ZINC001608715761 1097998546 /nfs/dbraw/zinc/99/85/46/1097998546.db2.gz DZXWNIRMGYGVRW-UHFFFAOYSA-N -2 0 342.125 2.998 20 0 EFADRL O=C([O-])CCCO[N-]C(=O)C(F)(F)c1cccc(Cl)c1Cl ZINC001608716008 1097999601 /nfs/dbraw/zinc/99/96/01/1097999601.db2.gz QHNVTMLUBDWTTK-UHFFFAOYSA-N -2 0 342.125 2.998 20 0 EFADRL O=C([O-])CCN(CC(=O)[O-])Cc1ccc(-c2c(F)cccc2F)o1 ZINC001608720992 1098001692 /nfs/dbraw/zinc/00/16/92/1098001692.db2.gz PRWLYTQCXSNDLD-UHFFFAOYSA-N -2 0 339.294 2.586 20 0 EFADRL O=C([O-])CCc1ccc(NC(=O)c2s[n-]c(=O)c2Cl)cc1 ZINC001608738593 1098005256 /nfs/dbraw/zinc/00/52/56/1098005256.db2.gz YBOMTZCAWHSQMC-UHFFFAOYSA-N -2 0 326.761 2.772 20 0 EFADRL O=C([O-])COc1cccc(NC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC001608764174 1098013429 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ZINC000436787785 477588451 /nfs/dbraw/zinc/58/84/51/477588451.db2.gz YDAYMUUQFWCDAU-UHFFFAOYSA-N -2 0 347.392 2.688 20 0 EFADRL O=C(N=c1nc(Cc2ccc(F)cc2F)[n-]s1)c1ccccc1[O-] ZINC000436948289 477644944 /nfs/dbraw/zinc/64/49/44/477644944.db2.gz UDXOYSOMHDZOHB-UHFFFAOYSA-N -2 0 347.346 2.787 20 0 EFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)c(F)c1 ZINC000438765621 477883622 /nfs/dbraw/zinc/88/36/22/477883622.db2.gz OTKLWBWWUOATRZ-UHFFFAOYSA-N -2 0 334.328 2.806 20 0 EFADRL CC[C@@H](CS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1[O-])OC ZINC000421146475 477980380 /nfs/dbraw/zinc/98/03/80/477980380.db2.gz DQITTZUVHGXAIH-QMMMGPOBSA-N -2 0 328.217 2.866 20 0 EFADRL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(F)cc(Cl)c1[O-] ZINC000421147144 477982386 /nfs/dbraw/zinc/98/23/86/477982386.db2.gz FGLARCWCAAPVNN-JTQLQIEISA-N -2 0 339.816 2.988 20 0 EFADRL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)cccc1O ZINC000538496745 478360423 /nfs/dbraw/zinc/36/04/23/478360423.db2.gz BOXQLUARYSHEIL-UHFFFAOYSA-N -2 0 327.383 2.570 20 0 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600103693 /nfs/dbraw/zinc/10/36/93/600103693.db2.gz VNYQPVLMMCZAKR-GFCCVEGCSA-N -2 0 349.333 2.652 20 0 EFADRL O=C([O-])CCSCc1cccc(NC(=O)c2ncccc2[O-])c1 ZINC000739753490 600110142 /nfs/dbraw/zinc/11/01/42/600110142.db2.gz NCKZKTBGSMBZBB-UHFFFAOYSA-N -2 0 332.381 2.747 20 0 EFADRL CC(C)(C)CCCC(=O)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000736251195 600130287 /nfs/dbraw/zinc/13/02/87/600130287.db2.gz MUBYNNDZJFWLNL-UHFFFAOYSA-N -2 0 341.429 2.547 20 0 EFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccs2)c(OC(F)F)c1 ZINC000740154927 600237772 /nfs/dbraw/zinc/23/77/72/600237772.db2.gz JFELDIFYXRUOJA-UHFFFAOYSA-N -2 0 349.336 2.849 20 0 EFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2)c(OC(F)F)c1 ZINC000740155225 600237825 /nfs/dbraw/zinc/23/78/25/600237825.db2.gz OUYMMMXMDZYYSO-UHFFFAOYSA-N -2 0 343.307 2.787 20 0 EFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C2(C(F)(F)F)CCCCC2)o1 ZINC000740172762 600400612 /nfs/dbraw/zinc/40/06/12/600400612.db2.gz GUVSAZBSUQPBQM-UHFFFAOYSA-N -2 0 341.307 2.521 20 0 EFADRL O=C([O-])c1ccnc(NC(=O)c2cccc(Br)c2[O-])c1 ZINC000740244079 600452688 /nfs/dbraw/zinc/45/26/88/600452688.db2.gz CPBFHSCWZOLXRG-UHFFFAOYSA-N -2 0 337.129 2.500 20 0 EFADRL O=C([O-])CCCOc1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000739686313 600504124 /nfs/dbraw/zinc/50/41/24/600504124.db2.gz DREKLWVNNLABFJ-UHFFFAOYSA-N -2 0 349.383 2.904 20 0 EFADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnccc2C(=O)[O-])cc1 ZINC000321741420 600513634 /nfs/dbraw/zinc/51/36/34/600513634.db2.gz KFYPLPZQDSUOTG-UHFFFAOYSA-N -2 0 334.397 2.878 20 0 EFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)c1C(=O)[O-] ZINC000738968870 600565711 /nfs/dbraw/zinc/56/57/11/600565711.db2.gz FITGXRYGGTYSFD-UHFFFAOYSA-N -2 0 334.353 2.877 20 0 EFADRL CC(C)(CC(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-])C(=O)[O-] ZINC000736309750 600639846 /nfs/dbraw/zinc/63/98/46/600639846.db2.gz HSJGDGICLSOTLC-UHFFFAOYSA-N -2 0 333.262 2.843 20 0 EFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C(C)(C)C)no1 ZINC000738546116 600672907 /nfs/dbraw/zinc/67/29/07/600672907.db2.gz GJOXSAYJKWCNRJ-UHFFFAOYSA-N -2 0 338.385 2.780 20 0 EFADRL O=C([O-])COc1ccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC000833258692 600891489 /nfs/dbraw/zinc/89/14/89/600891489.db2.gz YNPTUQBXCUFLML-UHFFFAOYSA-N -2 0 344.348 2.832 20 0 EFADRL Cc1ccsc1S(=O)(=O)[N-]c1ccc(CN(C)C(=O)[O-])cc1 ZINC000738798354 600894904 /nfs/dbraw/zinc/89/49/04/600894904.db2.gz IPDHZHRUSROZOD-UHFFFAOYSA-N -2 0 340.426 2.967 20 0 EFADRL O=C([O-])C[C@H]1CN(C(=O)c2n[n-]c3ccccc3c2=O)c2ccccc21 ZINC000739654080 600910031 /nfs/dbraw/zinc/91/00/31/600910031.db2.gz RLPSAQPBGGFWDP-NSHDSACASA-N -2 0 349.346 2.554 20 0 EFADRL CCCCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000829356841 600944840 /nfs/dbraw/zinc/94/48/40/600944840.db2.gz LFXCJFBINRSNCL-GFCCVEGCSA-N -2 0 341.429 2.796 20 0 EFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2nc3ccccc3s2)cs1 ZINC000112332735 600974233 /nfs/dbraw/zinc/97/42/33/600974233.db2.gz PFKRWXVKQBCQKD-UHFFFAOYSA-N -2 0 340.407 2.857 20 0 EFADRL Cc1nc([N-]S(=O)(=O)c2cc(C)c(F)c(C)c2)sc1C(=O)[O-] ZINC000832904392 600976588 /nfs/dbraw/zinc/97/65/88/600976588.db2.gz KVHXAZKLWFFIAZ-UHFFFAOYSA-N -2 0 344.389 2.706 20 0 EFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)cs1 ZINC000833306349 600977533 /nfs/dbraw/zinc/97/75/33/600977533.db2.gz VLOQCUALEKCLGK-UHFFFAOYSA-N -2 0 341.414 2.559 20 0 EFADRL CC(C)c1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)s1 ZINC000827139036 600983629 /nfs/dbraw/zinc/98/36/29/600983629.db2.gz CRQMGKNHFCBAEZ-UHFFFAOYSA-N -2 0 332.428 2.827 20 0 EFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]C(=O)CC2CCCCCC2)s1 ZINC000833093384 601142562 /nfs/dbraw/zinc/14/25/62/601142562.db2.gz CTEIBVLMLPPIKC-UHFFFAOYSA-N -2 0 345.442 2.612 20 0 EFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000831944913 601150129 /nfs/dbraw/zinc/15/01/29/601150129.db2.gz BRTIVEGSQJNMPL-UHFFFAOYSA-N -2 0 341.410 2.873 20 0 EFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(F)cc(F)c1 ZINC000831945065 601150245 /nfs/dbraw/zinc/15/02/45/601150245.db2.gz FGGKRHKFQSZOFB-UHFFFAOYSA-N -2 0 349.336 2.534 20 0 EFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000831946260 601150330 /nfs/dbraw/zinc/15/03/30/601150330.db2.gz QHHIMOKJNGTRRO-UHFFFAOYSA-N -2 0 347.801 2.909 20 0 EFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000831946308 601150393 /nfs/dbraw/zinc/15/03/93/601150393.db2.gz STAVILBTMNRCQB-UHFFFAOYSA-N -2 0 349.336 2.534 20 0 EFADRL Cc1oc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1C(=O)[O-] ZINC000833027555 601231346 /nfs/dbraw/zinc/23/13/46/601231346.db2.gz VYYXRHGSZGGWQM-UHFFFAOYSA-N -2 0 333.724 2.880 20 0 EFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1C(=O)[O-] ZINC000833029344 601231480 /nfs/dbraw/zinc/23/14/80/601231480.db2.gz GHYAKXVKMRKZKK-UHFFFAOYSA-N -2 0 347.295 2.688 20 0 EFADRL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)c1 ZINC000831493035 601232563 /nfs/dbraw/zinc/23/25/63/601232563.db2.gz HNKXXZGWYCDWIY-SECBINFHSA-N -2 0 339.369 2.794 20 0 EFADRL COc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000831852072 601233004 /nfs/dbraw/zinc/23/30/04/601233004.db2.gz PXWTXPLDFTUHKK-UHFFFAOYSA-N -2 0 345.760 2.749 20 0 EFADRL Cc1oc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)cc1C(=O)[O-] ZINC000833027029 601233938 /nfs/dbraw/zinc/23/39/38/601233938.db2.gz NNIGNUQEEXGBFA-UHFFFAOYSA-N -2 0 335.259 2.504 20 0 EFADRL CCc1ccc(O)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000751215361 601250497 /nfs/dbraw/zinc/25/04/97/601250497.db2.gz ZYCDAJGXTWYDND-UHFFFAOYSA-N -2 0 339.344 2.593 20 0 EFADRL CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1 ZINC000830253669 601250891 /nfs/dbraw/zinc/25/08/91/601250891.db2.gz KUNSLCAGZBRWQI-UXBLZVDNSA-N -2 0 347.392 2.853 20 0 EFADRL CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000830253668 601250893 /nfs/dbraw/zinc/25/08/93/601250893.db2.gz KUNSLCAGZBRWQI-POHAHGRESA-N -2 0 347.392 2.853 20 0 EFADRL Cc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)cc1C(=O)[O-] ZINC000743266793 601334191 /nfs/dbraw/zinc/33/41/91/601334191.db2.gz TUPNXBLBNCRMOO-UHFFFAOYSA-N -2 0 340.788 2.851 20 0 EFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccnn2C(C)C)c1C ZINC000390280335 601358363 /nfs/dbraw/zinc/35/83/63/601358363.db2.gz LWKPMTINTATYMA-UHFFFAOYSA-N -2 0 337.401 2.580 20 0 EFADRL CCc1cnc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)s1 ZINC000830299429 601360966 /nfs/dbraw/zinc/36/09/66/601360966.db2.gz PISNEEWRJHERRF-VMPITWQZSA-N -2 0 338.410 2.604 20 0 EFADRL CCc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)s1 ZINC000830299896 601361071 /nfs/dbraw/zinc/36/10/71/601361071.db2.gz YRBMVLSHAHZCKR-UHFFFAOYSA-N -2 0 340.426 2.821 20 0 EFADRL CC(C)c1cc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)no1 ZINC000827113016 601362362 /nfs/dbraw/zinc/36/23/62/601362362.db2.gz TXSBGTAZVMRNJE-YVMONPNESA-N -2 0 336.369 2.697 20 0 EFADRL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(C)C)on2)c1C ZINC000832868137 601362929 /nfs/dbraw/zinc/36/29/29/601362929.db2.gz GIWNLXLFLQQRQP-UHFFFAOYSA-N -2 0 338.385 2.914 20 0 EFADRL CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])cc1 ZINC000830254211 601382347 /nfs/dbraw/zinc/38/23/47/601382347.db2.gz VMANMFMZMIIAKP-UHFFFAOYSA-N -2 0 340.788 2.796 20 0 EFADRL Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000832889537 601384411 /nfs/dbraw/zinc/38/44/11/601384411.db2.gz MESWOPWMTDYAPX-UHFFFAOYSA-N -2 0 344.751 2.682 20 0 EFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(-c3ccccc3)on2)c1 ZINC000833333568 601474441 /nfs/dbraw/zinc/47/44/41/601474441.db2.gz CHOLXOOHXYWZKZ-UHFFFAOYSA-N -2 0 344.348 2.841 20 0 EFADRL Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000832973029 601475402 /nfs/dbraw/zinc/47/54/02/601475402.db2.gz OGPDFQQILAFKCP-UHFFFAOYSA-N -2 0 347.295 2.688 20 0 EFADRL Cc1nc(C)c([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)s1 ZINC000088545663 601485421 /nfs/dbraw/zinc/48/54/21/601485421.db2.gz QCPORUBHSQKUGV-UHFFFAOYSA-N -2 0 348.352 2.537 20 0 EFADRL Cc1cc([N-]S(=O)(=O)c2cccc3ccc(C)nc32)c(C(=O)[O-])[nH]1 ZINC000832962164 601557970 /nfs/dbraw/zinc/55/79/70/601557970.db2.gz SDCYBZBPTQEDBZ-UHFFFAOYSA-N -2 0 345.380 2.679 20 0 EFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cnc(Cl)c(C)c1 ZINC000318054274 601575954 /nfs/dbraw/zinc/57/59/54/601575954.db2.gz BFIFUHMSYJGVQG-UHFFFAOYSA-N -2 0 340.788 2.851 20 0 EFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cnc1Cl ZINC000230146073 601575977 /nfs/dbraw/zinc/57/59/77/601575977.db2.gz HENXTHUMTQXCAQ-UHFFFAOYSA-N -2 0 332.790 2.604 20 0 EFADRL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccn2)cc1C(=O)[O-] ZINC000235879578 601769098 /nfs/dbraw/zinc/76/90/98/601769098.db2.gz HAJJBBISVAMBKT-UHFFFAOYSA-N -2 0 326.761 2.542 20 0 EFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2)cc(F)c1F ZINC000080308279 601831894 /nfs/dbraw/zinc/83/18/94/601831894.db2.gz XITRRXFCBUSISI-UHFFFAOYSA-N -2 0 349.261 2.742 20 0 EFADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000832265796 601854796 /nfs/dbraw/zinc/85/47/96/601854796.db2.gz RWEVPRVCIDSDAV-UHFFFAOYSA-N -2 0 339.344 2.642 20 0 EFADRL CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)n[nH]1 ZINC000829216702 601862047 /nfs/dbraw/zinc/86/20/47/601862047.db2.gz SGBLWWTVPDLPCN-JTQLQIEISA-N -2 0 337.401 2.812 20 0 EFADRL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000325036917 601982541 /nfs/dbraw/zinc/98/25/41/601982541.db2.gz KXQAUPMLKHISCH-UHFFFAOYSA-N -2 0 349.364 2.501 20 0 EFADRL Cc1cc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)c(C(=O)[O-])[nH]1 ZINC000832898846 602114639 /nfs/dbraw/zinc/11/46/39/602114639.db2.gz VBIMMEQSWDQTST-UHFFFAOYSA-N -2 0 346.767 2.923 20 0 EFADRL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c(C)c1 ZINC000830094597 602115299 /nfs/dbraw/zinc/11/52/99/602115299.db2.gz PTNCYSJPYNTLLR-UHFFFAOYSA-N -2 0 341.410 2.954 20 0 EFADRL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)c1 ZINC000832363173 602115749 /nfs/dbraw/zinc/11/57/49/602115749.db2.gz XMKKSKYEQBRQGT-UHFFFAOYSA-N -2 0 347.801 2.909 20 0 EFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000833344041 602116967 /nfs/dbraw/zinc/11/69/67/602116967.db2.gz YAJWSQHWODWSCF-UHFFFAOYSA-N -2 0 334.378 2.795 20 0 EFADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000178264784 602158408 /nfs/dbraw/zinc/15/84/08/602158408.db2.gz IXCDCICXGLFEOX-UHFFFAOYSA-N -2 0 326.761 2.542 20 0 EFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CCCC3)[nH]n2)cc1 ZINC000833323315 602308529 /nfs/dbraw/zinc/30/85/29/602308529.db2.gz BNCWPBPUMITBJU-UHFFFAOYSA-N -2 0 335.385 2.566 20 0 EFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)o1 ZINC000833323584 602308793 /nfs/dbraw/zinc/30/87/93/602308793.db2.gz OYZAYHDOZDHABG-UHFFFAOYSA-N -2 0 339.373 2.549 20 0 EFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(C3CCCCC3)[nH]n2)c1 ZINC000833333691 602309203 /nfs/dbraw/zinc/30/92/03/602309203.db2.gz FROYGPOVUQSVAB-UHFFFAOYSA-N -2 0 349.412 2.956 20 0 EFADRL C[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736725128 602778849 /nfs/dbraw/zinc/77/88/49/602778849.db2.gz SBAWZJQDFBVFKN-NSHDSACASA-N -2 0 348.380 2.597 20 0 EFADRL Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC000832952805 604404591 /nfs/dbraw/zinc/40/45/91/604404591.db2.gz AWVRQHUINULHDG-UHFFFAOYSA-N -2 0 326.761 2.542 20 0 EFADRL CC(C)(C(=O)[N-]OCCOc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000826081306 604793768 /nfs/dbraw/zinc/79/37/68/604793768.db2.gz NIABDHBKFODSCH-UHFFFAOYSA-N -2 0 343.379 2.789 20 0 EFADRL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cncc(C(=O)[O-])c1 ZINC000062947124 604889536 /nfs/dbraw/zinc/88/95/36/604889536.db2.gz ABLZSHRQSNUPMZ-UHFFFAOYSA-N -2 0 326.761 2.542 20 0 EFADRL O=C([O-])c1cncc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000390142372 604889564 /nfs/dbraw/zinc/88/95/64/604889564.db2.gz UKIGCEJYIPOWOP-UHFFFAOYSA-N -2 0 346.286 2.599 20 0 EFADRL Cc1sc([N-]S(=O)(=O)c2cn(C(C)C)cn2)c(C(=O)[O-])c1C ZINC000833758457 605022703 /nfs/dbraw/zinc/02/27/03/605022703.db2.gz YKMKIXHNAZZPEX-UHFFFAOYSA-N -2 0 343.430 2.641 20 0 EFADRL CC(C)c1cccnc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000833511479 605053027 /nfs/dbraw/zinc/05/30/27/605053027.db2.gz UXVQKTPLUMVTHE-UHFFFAOYSA-N -2 0 326.399 2.766 20 0 EFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1cccc(F)c1F ZINC000833741737 605125661 /nfs/dbraw/zinc/12/56/61/605125661.db2.gz WAKFIECZQZMCMB-UHFFFAOYSA-N -2 0 333.337 2.834 20 0 EFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000833741675 605127234 /nfs/dbraw/zinc/12/72/34/605127234.db2.gz TUQSOXZPWIAFIS-UHFFFAOYSA-N -2 0 333.337 2.834 20 0 EFADRL CC(C)(C)Cc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)n1 ZINC000833430166 605139027 /nfs/dbraw/zinc/13/90/27/605139027.db2.gz HWYPSRWJZQZAIX-UHFFFAOYSA-N -2 0 344.414 2.824 20 0 EFADRL CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1Cl ZINC000833662604 605185544 /nfs/dbraw/zinc/18/55/44/605185544.db2.gz HGGNNINPGZIFPQ-UHFFFAOYSA-N -2 0 345.760 2.831 20 0 EFADRL Cc1cc(F)c(S(=O)(=O)[N-]c2sccc2C(=O)[O-])cc1F ZINC000833744900 605204604 /nfs/dbraw/zinc/20/46/04/605204604.db2.gz UCFNKVGGKUTQHL-UHFFFAOYSA-N -2 0 333.337 2.834 20 0 EFADRL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cccc(NC(=O)[O-])c2)C1 ZINC000833416993 605231712 /nfs/dbraw/zinc/23/17/12/605231712.db2.gz 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CCc1c(C)sc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1C(N)=O ZINC001176237512 1287910230 /nfs/dbraw/zinc/91/02/30/1287910230.db2.gz WHAQZAJOKSHTNX-UHFFFAOYSA-N -2 0 348.380 2.858 20 0 EFADRL O=C([O-])c1cc(Nc2cc(C(F)(F)F)cnn2)cc(C(=O)[O-])c1 ZINC001176236733 1287910394 /nfs/dbraw/zinc/91/03/94/1287910394.db2.gz DOZLCJOAHBBKAP-UHFFFAOYSA-N -2 0 327.218 2.635 20 0 EFADRL CN(C)C(=O)c1ccccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241449 1287912146 /nfs/dbraw/zinc/91/21/46/1287912146.db2.gz HMQSMKGFRJMZRR-UHFFFAOYSA-N -2 0 328.324 2.528 20 0 EFADRL COCCOc1ccc(F)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241784 1287912194 /nfs/dbraw/zinc/91/21/94/1287912194.db2.gz XCMFMXPGCHEOCZ-UHFFFAOYSA-N -2 0 349.314 2.991 20 0 EFADRL CNc1ccc(C(=O)OC)cc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241424 1287912251 /nfs/dbraw/zinc/91/22/51/1287912251.db2.gz GTEQYEDHVKJJEG-UHFFFAOYSA-N -2 0 344.323 2.655 20 0 EFADRL O=C([O-])c1cc(Nc2ccc(N3CCCC3=O)cc2)cc(C(=O)[O-])c1 ZINC001176241745 1287912265 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ZINC001590906796 990870943 /nfs/dbraw/zinc/87/09/43/990870943.db2.gz FBERGCDYFJUFLK-UHFFFAOYSA-N -2 0 331.777 2.573 20 0 EFADRL COc1cccc([C@H](NC(=O)c2ccc(Cl)c([O-])c2)C(=O)[O-])c1 ZINC001599686189 990991113 /nfs/dbraw/zinc/99/11/13/990991113.db2.gz BZAWBXFFKWHFAJ-AWEZNQCLSA-N -2 0 335.743 2.610 20 0 EFADRL COc1ccsc1S(=O)(=O)[N-]c1sc(C)cc1C(=O)[O-] ZINC001599722398 991561849 /nfs/dbraw/zinc/56/18/49/991561849.db2.gz IRGKUPDJRTZGKI-UHFFFAOYSA-N -2 0 333.412 2.626 20 0 EFADRL CC(C)C[C@@H](CC(=O)[O-])C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001591143195 991869899 /nfs/dbraw/zinc/86/98/99/991869899.db2.gz PKCXTUHRSZXFBS-QMMMGPOBSA-N -2 0 329.299 2.739 20 0 EFADRL CC(C)C[C@H](CNC(=O)Nc1cc(C(=O)[O-])cs1)CC(=O)[O-] ZINC001591449027 992554675 /nfs/dbraw/zinc/55/46/75/992554675.db2.gz YOTSPKOCOPIIAH-VIFPVBQESA-N -2 0 328.390 2.705 20 0 EFADRL COc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])sc2C)c(C)c1 ZINC001599616881 994026709 /nfs/dbraw/zinc/02/67/09/994026709.db2.gz VBDBVERUCFIOQU-UHFFFAOYSA-N -2 0 341.410 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ZINC001610273486 1098596885 /nfs/dbraw/zinc/59/68/85/1098596885.db2.gz BRUMKKZEVFXPSB-UHFFFAOYSA-N -2 0 342.760 2.599 20 0 EFADRL COc1ccc(S(=O)(=O)[N-]c2scc(C(=O)[O-])c2C)c(C)c1 ZINC001610350140 1098632650 /nfs/dbraw/zinc/63/26/50/1098632650.db2.gz WKECJFNCBVTZAS-UHFFFAOYSA-N -2 0 341.410 2.873 20 0 EFADRL COc1ccsc1S(=O)(=O)[N-]c1ccc([C@H](C)C(=O)[O-])cc1 ZINC001610369282 1098644235 /nfs/dbraw/zinc/64/42/35/1098644235.db2.gz RJAXMMGOFGFHKA-VIFPVBQESA-N -2 0 341.410 2.746 20 0 EFADRL Cc1c(NC(=O)NC[C@H](CC(C)C)C(=O)[O-])ccc(F)c1C(=O)[O-] ZINC001610425751 1098670656 /nfs/dbraw/zinc/67/06/56/1098670656.db2.gz YNZGOJVBMFZQLG-JTQLQIEISA-N -2 0 340.351 2.701 20 0 EFADRL Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC001610492826 1098711360 /nfs/dbraw/zinc/71/13/60/1098711360.db2.gz BXGBRAFQDRHFNY-ZDUSSCGKSA-N -2 0 335.306 2.925 20 0 EFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2OC(F)F)o1 ZINC001610513739 1098723982 /nfs/dbraw/zinc/72/39/82/1098723982.db2.gz 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346.364 2.944 20 0 EFADRL Cc1cc(C(=O)[O-])oc1C(=O)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC001600132890 1094791014 /nfs/dbraw/zinc/79/10/14/1094791014.db2.gz AFFWQIUYOGWCQK-UHFFFAOYSA-N -2 0 327.296 2.634 20 0 EFADRL Cc1cc([C@H](NC(=O)c2cc(F)cc(F)c2[O-])C(=O)[O-])ccc1F ZINC001600150793 1094813435 /nfs/dbraw/zinc/81/34/35/1094813435.db2.gz RASIEIJYZIXYJB-ZDUSSCGKSA-N -2 0 339.269 2.674 20 0 EFADRL Cc1cc(C)cc([C@H](NCc2nc(=O)c3sccc3[n-]2)C(=O)[O-])c1 ZINC001600170616 1094836586 /nfs/dbraw/zinc/83/65/86/1094836586.db2.gz YDXBVIHDAZGWMA-AWEZNQCLSA-N -2 0 343.408 2.929 20 0 EFADRL Cc1cc(NC(=O)CSc2n[n-]c(=S)s2)sc1C(=O)[O-] ZINC001600257375 1094919250 /nfs/dbraw/zinc/91/92/50/1094919250.db2.gz QCCPYWDSHQSAHU-UHFFFAOYSA-N -2 0 347.468 2.626 20 0 EFADRL Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])cc2n[nH]cc21 ZINC001600282779 1094942872 /nfs/dbraw/zinc/94/28/72/1094942872.db2.gz KLROIBGCZLSZOS-UHFFFAOYSA-N -2 0 349.343 2.509 20 0 EFADRL Cc1csc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)c1C(=O)[O-] ZINC001600300897 1094952636 /nfs/dbraw/zinc/95/26/36/1094952636.db2.gz NUJLIWKTZHJACH-UHFFFAOYSA-N -2 0 346.817 2.912 20 0 EFADRL Cc1cc(S(=O)(=O)[N-]c2cnc(C(=O)[O-])c(Cl)c2)sc1C ZINC001600301521 1094954768 /nfs/dbraw/zinc/95/47/68/1094954768.db2.gz LYWWJKKIOOKHDI-UHFFFAOYSA-N -2 0 346.817 2.912 20 0 EFADRL Cc1ccc(F)cc1S(=O)(=O)[N-]c1nc2c(cccc2C(=O)[O-])[nH]1 ZINC001600431763 1095060965 /nfs/dbraw/zinc/06/09/65/1095060965.db2.gz OSRQOXYWSSMFAV-UHFFFAOYSA-N -2 0 349.343 2.509 20 0 EFADRL Cc1ccc(S(=O)(=O)[N-]c2nc(C(C)(C)C)co2)cc1C(=O)[O-] ZINC001600483670 1095099856 /nfs/dbraw/zinc/09/98/56/1095099856.db2.gz GJSNPIDUHVLREP-UHFFFAOYSA-N -2 0 338.385 2.780 20 0 EFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])c(Cl)c2)o1 ZINC001600483266 1095100615 /nfs/dbraw/zinc/10/06/15/1095100615.db2.gz UNPSVZHPXUWZHC-UHFFFAOYSA-N -2 0 345.760 2.506 20 0 EFADRL Cc1ccc(S(=O)(=O)[N-]c2nc(C(=O)[O-])c(C3CC3)s2)s1 ZINC001600483616 1095100751 /nfs/dbraw/zinc/10/07/51/1095100751.db2.gz CATYNWNKCNMBKU-UHFFFAOYSA-N -2 0 344.439 2.889 20 0 EFADRL Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])c1O ZINC001600542982 1095148824 /nfs/dbraw/zinc/14/88/24/1095148824.db2.gz YXFAVRDNAWEALY-UHFFFAOYSA-N -2 0 341.772 2.853 20 0 EFADRL Cc1csc(C)c1S(=O)(=O)[N-]c1nc(CCC(=O)[O-])cs1 ZINC001600656596 1095239063 /nfs/dbraw/zinc/23/90/63/1095239063.db2.gz KALKAMAMEWDZQL-UHFFFAOYSA-N -2 0 346.455 2.639 20 0 EFADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1n[nH]c(C(C)C)c1C ZINC001600654356 1095240203 /nfs/dbraw/zinc/24/02/03/1095240203.db2.gz FINSKWOIKJUBJK-UHFFFAOYSA-N -2 0 343.430 2.710 20 0 EFADRL Cc1ncc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1C(=O)[O-] ZINC001600747578 1095306646 /nfs/dbraw/zinc/30/66/46/1095306646.db2.gz SXGDDZKIQMGOND-UHFFFAOYSA-N -2 0 326.761 2.542 20 0 EFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2n[nH]c(C(C)C)c2C)c1C(=O)[O-] ZINC001600838337 1095369736 /nfs/dbraw/zinc/36/97/36/1095369736.db2.gz HDXSEVYJJRXCMZ-UHFFFAOYSA-N -2 0 341.389 2.550 20 0 EFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)cc1C(=O)[O-] ZINC001600856101 1095384667 /nfs/dbraw/zinc/38/46/67/1095384667.db2.gz OYLMTWKXXJWHGZ-UHFFFAOYSA-N -2 0 348.336 2.742 20 0 EFADRL Cc1sc(C)c(S(=O)(=O)[N-]c2csnc2C(=O)[O-])c1C ZINC001600876074 1095399503 /nfs/dbraw/zinc/39/95/03/1095399503.db2.gz FJKWCLGFMFMREB-UHFFFAOYSA-N -2 0 332.428 2.629 20 0 EFADRL Cc1sc([C@H]2CCCN2c2ccc(C(=O)[O-])cn2)nc1C(=O)[O-] ZINC001600884670 1095405521 /nfs/dbraw/zinc/40/55/21/1095405521.db2.gz MCKOQQDHYLPBCR-SNVBAGLBSA-N -2 0 333.369 2.584 20 0 EFADRL Cc1sc(NC(=O)NC[C@@H](C(=O)[O-])C(C)C)c(C(=O)[O-])c1C ZINC001600886509 1095406554 /nfs/dbraw/zinc/40/65/54/1095406554.db2.gz FMDAXNHBKKQACB-SECBINFHSA-N -2 0 328.390 2.541 20 0 EFADRL Cc1sc(NC(=O)[C@H](C)S[C@H](C)C(=O)[O-])c(C(=O)[O-])c1C ZINC001600885844 1095407578 /nfs/dbraw/zinc/40/75/78/1095407578.db2.gz PYICGTWJKLKONV-JGVFFNPUSA-N -2 0 331.415 2.596 20 0 EFADRL Cn1c2ccc(C(=O)[O-])cc2nc1-c1ccc(OCCC(=O)[O-])cc1 ZINC001600892465 1095412514 /nfs/dbraw/zinc/41/25/14/1095412514.db2.gz VZYUYVVUFPHXBR-UHFFFAOYSA-N -2 0 340.335 2.792 20 0 EFADRL Cn1cc([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)cc1C(=O)[O-] ZINC001600966609 1095449704 /nfs/dbraw/zinc/44/97/04/1095449704.db2.gz QEUJPAARBYOGTH-UHFFFAOYSA-N -2 0 349.195 2.831 20 0 EFADRL O=C([O-])c1cccc(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)c1Cl ZINC001601245588 1095575446 /nfs/dbraw/zinc/57/54/46/1095575446.db2.gz SWRWSQCAYWNRKA-AWEZNQCLSA-N -2 0 343.788 2.575 20 0 EFADRL O=C([O-])[C@H](CNC(=O)c1ccc([O-])c(Cl)c1)c1ccc(F)cc1 ZINC001601459849 1095687619 /nfs/dbraw/zinc/68/76/19/1095687619.db2.gz YYPRQAKCUCEUKI-GFCCVEGCSA-N -2 0 337.734 2.783 20 0 EFADRL O=C([O-])c1c[nH]c2cc(NC(=O)c3n[n-]c4ccccc4c3=O)ccc12 ZINC001601612451 1095762884 /nfs/dbraw/zinc/76/28/84/1095762884.db2.gz GRHPORACZGYXJO-UHFFFAOYSA-N -2 0 348.318 2.767 20 0 EFADRL O=C([O-])[C@@H]1CC[C@@H](Nc2cc(F)cc(C[N-]C(=O)C(F)(F)F)c2)C1 ZINC001601795634 1095906116 /nfs/dbraw/zinc/90/61/16/1095906116.db2.gz GEFHXUBSMHMXCT-MWLCHTKSSA-N -2 0 348.296 2.669 20 0 EFADRL O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC001601867130 1095942980 /nfs/dbraw/zinc/94/29/80/1095942980.db2.gz ISLDLRGBJZDCTO-AWEZNQCLSA-N -2 0 349.745 2.836 20 0 EFADRL O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC001601972145 1095999213 /nfs/dbraw/zinc/99/92/13/1095999213.db2.gz RAGSVVYZMAITCX-INIZCTEOSA-N -2 0 341.363 2.591 20 0 EFADRL O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)[O-])c1 ZINC001601972560 1095999446 /nfs/dbraw/zinc/99/94/46/1095999446.db2.gz WWQPNVMLDZVGGT-MRXNPFEDSA-N -2 0 341.363 2.591 20 0 EFADRL O=C([O-])CCCCC(=O)N[C@@H](C(=O)[O-])c1cccc2ccccc21 ZINC001601980142 1096004669 /nfs/dbraw/zinc/00/46/69/1096004669.db2.gz IWNNDKHVFQYIHC-QGZVFWFLSA-N -2 0 329.352 2.727 20 0 EFADRL O=C([O-])CCCCCCNC(=O)NCc1ccc(O)c(Cl)c1 ZINC001601983364 1096005196 /nfs/dbraw/zinc/00/51/96/1096005196.db2.gz AZWAEFZQRGBBRF-UHFFFAOYSA-N -2 0 328.796 2.880 20 0 EFADRL O=C([O-])CCCCNC(=O)Nc1cccc2cc(C(=O)[O-])sc21 ZINC001601988569 1096008359 /nfs/dbraw/zinc/00/83/59/1096008359.db2.gz NHCGLNDZYJGDBU-UHFFFAOYSA-N -2 0 336.369 2.976 20 0 EFADRL O=C([O-])CCC[S@](=O)c1ccc(-c2ccccc2CC(=O)[O-])cc1 ZINC001602001997 1096015004 /nfs/dbraw/zinc/01/50/04/1096015004.db2.gz MNTLWWUZWTVESG-DEOSSOPVSA-N -2 0 346.404 2.953 20 0 EFADRL O=C([O-])COc1cccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)c1 ZINC001602093053 1096057344 /nfs/dbraw/zinc/05/73/44/1096057344.db2.gz SHHBAABCCJDHJQ-UHFFFAOYSA-N -2 0 349.383 2.904 20 0 EFADRL O=C([O-])CSCc1cccc(NC(=O)C(=O)c2ccc(O)cc2)c1 ZINC001602100782 1096063181 /nfs/dbraw/zinc/06/31/81/1096063181.db2.gz AYUVPNPWDFUTFD-UHFFFAOYSA-N -2 0 345.376 2.531 20 0 EFADRL O=C([O-])CSCc1cccc(NC(=O)NO[C@@H]2CCCCO2)c1 ZINC001602102575 1096064888 /nfs/dbraw/zinc/06/48/88/1096064888.db2.gz WGBVVOGBUOMASX-CQSZACIVSA-N -2 0 340.401 2.584 20 0 EFADRL O=C([O-])[C@H]1C[C@@H](C(=O)Nc2cc(Cl)cc(Br)c2[O-])C1 ZINC001602213704 1096120130 /nfs/dbraw/zinc/12/01/30/1096120130.db2.gz BBMNISSKJKESFG-OLQVQODUSA-N -2 0 348.580 2.857 20 0 EFADRL O=C([O-])c1c(C2CC2)csc1NC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC001602227820 1096128058 /nfs/dbraw/zinc/12/80/58/1096128058.db2.gz NAQRGSIXTWCYGR-SECBINFHSA-N -2 0 338.385 2.652 20 0 EFADRL O=C([O-])c1cc(/C=C\c2nc(C(=O)[O-])c(Br)s2)c[nH]1 ZINC001602254790 1096141424 /nfs/dbraw/zinc/14/14/24/1096141424.db2.gz PHWRWBZOKDIOFC-UPHRSURJSA-N -2 0 343.158 2.801 20 0 EFADRL O=C([O-])c1cc(CN[C@@H](C(=O)[O-])c2ccccc2F)n2c1CCCC2 ZINC001602258805 1096144396 /nfs/dbraw/zinc/14/43/96/1096144396.db2.gz KGYOZAJXENELPW-MRXNPFEDSA-N -2 0 346.358 2.577 20 0 EFADRL O=C([O-])c1cc(F)ccc1S(=O)(=O)Nc1cccc(Cl)c1 ZINC001602277524 1096156312 /nfs/dbraw/zinc/15/63/12/1096156312.db2.gz VHVVBYUPPJIALP-UHFFFAOYSA-N -2 0 329.736 2.978 20 0 EFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc3c2CCCC3)cs1 ZINC001602297453 1096164306 /nfs/dbraw/zinc/16/43/06/1096164306.db2.gz IQNXHWPAJBRWPU-UHFFFAOYSA-N -2 0 338.410 2.521 20 0 EFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(-c3ccccn3)cc2)c[nH]1 ZINC001602297339 1096164455 /nfs/dbraw/zinc/16/44/55/1096164455.db2.gz GDPQFTZRWLGMHE-UHFFFAOYSA-N -2 0 343.364 2.576 20 0 EFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncsc2C2CC2)oc1Cl ZINC001602297616 1096164744 /nfs/dbraw/zinc/16/47/44/1096164744.db2.gz XZLVJEDVFAXQDG-UHFFFAOYSA-N -2 0 348.789 2.766 20 0 EFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C3CCC3)cn2)cs1 ZINC001602297391 1096164778 /nfs/dbraw/zinc/16/47/78/1096164778.db2.gz VLJSVHQKOODVIC-UHFFFAOYSA-N -2 0 338.410 2.910 20 0 EFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc3c(cn2)CCCC3)cs1 ZINC001602297329 1096165053 /nfs/dbraw/zinc/16/50/53/1096165053.db2.gz CZDLUNQHVLXTEF-UHFFFAOYSA-N -2 0 338.410 2.521 20 0 EFADRL O=C([O-])c1cc2cccc(NC(=O)N3CCC[C@H](C(=O)[O-])C3)c2s1 ZINC001602303899 1096167655 /nfs/dbraw/zinc/16/76/55/1096167655.db2.gz KVIHBYKGWKXOPS-JTQLQIEISA-N -2 0 348.380 2.928 20 0 EFADRL O=C([O-])c1ccc(Cl)c(C[NH+]2CCC(C3N=NC(=O)O3)CC2)c1 ZINC001602357043 1096201577 /nfs/dbraw/zinc/20/15/77/1096201577.db2.gz HQVVSJLSRVUQOW-UHFFFAOYSA-N -2 0 337.763 2.506 20 0 EFADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(O)cc(F)c1 ZINC001602363475 1096206511 /nfs/dbraw/zinc/20/65/11/1096206511.db2.gz SJPJTIGHDSPNAK-UHFFFAOYSA-N -3 0 345.735 2.684 20 0 EFADRL O=C([O-])c1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])cc1 ZINC001602380824 1096216528 /nfs/dbraw/zinc/21/65/28/1096216528.db2.gz FBRUYKRNVXXHAR-UHFFFAOYSA-N -2 0 341.298 2.668 20 0 EFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2csc3ccccc23)cn1 ZINC001602402024 1096222828 /nfs/dbraw/zinc/22/28/28/1096222828.db2.gz DRZXMECUEAKSTN-UHFFFAOYSA-N -2 0 334.378 2.795 20 0 EFADRL O=C([O-])c1ccc2[nH]c(CNC(=O)c3ccc([O-])c(Cl)c3)nc2c1 ZINC001602406303 1096225706 /nfs/dbraw/zinc/22/57/06/1096225706.db2.gz IVBMKCNAEWUHCV-UHFFFAOYSA-N -2 0 345.742 2.550 20 0 EFADRL O=C([O-])c1ccc2c(c1)N(C(=O)c1n[n-]c3ccccc3c1=O)CCC2 ZINC001602424479 1096237327 /nfs/dbraw/zinc/23/73/27/1096237327.db2.gz FHEODUHUOZLOGC-UHFFFAOYSA-N -2 0 349.346 2.627 20 0 EFADRL O=C([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)[O-])C3)cs2)c1 ZINC001602429059 1096240176 /nfs/dbraw/zinc/24/01/76/1096240176.db2.gz JMPPQGBUSQEKCH-CYBMUJFWSA-N -2 0 346.408 2.805 20 0 EFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2nccc3sccc32)c1 ZINC001602452783 1096252168 /nfs/dbraw/zinc/25/21/68/1096252168.db2.gz SNWCCQHMPVHETO-UHFFFAOYSA-N -2 0 334.378 2.795 20 0 EFADRL O=C([O-])c1cccc2c1CCN(C(=O)c1ncc3ccccc3c1O)C2 ZINC001602457491 1096255448 /nfs/dbraw/zinc/25/54/48/1096255448.db2.gz YEOPPZLFIMBYOC-UHFFFAOYSA-N -2 0 348.358 2.837 20 0 EFADRL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)(F)F ZINC001602489260 1096270505 /nfs/dbraw/zinc/27/05/05/1096270505.db2.gz YAGUCXDJVXHKMC-JTQLQIEISA-N -2 0 349.286 2.560 20 0 EFADRL O=C([O-])c1ccsc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC001602490388 1096272230 /nfs/dbraw/zinc/27/22/30/1096272230.db2.gz QPOPSHSESTYDDR-UHFFFAOYSA-N -2 0 340.407 2.857 20 0 EFADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2noc3cc(Cl)ccc32)c1 ZINC001602559716 1096298447 /nfs/dbraw/zinc/29/84/47/1096298447.db2.gz ZOVCXQBJASLQID-UHFFFAOYSA-N -2 0 342.716 2.573 20 0 EFADRL O=C([O-])c1sccc1S(=O)(=O)[N-]c1scnc1C1CC1 ZINC001602598811 1096315038 /nfs/dbraw/zinc/31/50/38/1096315038.db2.gz VFVGIIRYCNHELQ-UHFFFAOYSA-N -2 0 330.412 2.581 20 0 EFADRL O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2cccc(Cl)c2[O-])C1 ZINC001602626420 1096331926 /nfs/dbraw/zinc/33/19/26/1096331926.db2.gz BLGLGXOSCVSLDZ-GOSISDBHSA-N -2 0 345.782 2.914 20 0 EFADRL CC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1F ZINC001603107666 1096444085 /nfs/dbraw/zinc/44/40/85/1096444085.db2.gz PHMCFXBDFPWPDD-UHFFFAOYSA-N -2 0 343.357 2.589 20 0 EFADRL C[C@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccnn2C2CCC2)cc1 ZINC001603212515 1096474536 /nfs/dbraw/zinc/47/45/36/1096474536.db2.gz BUZONJGNVGQUNW-NSHDSACASA-N -2 0 349.412 2.597 20 0 EFADRL CC(C)(C)c1ncsc1C(=O)Nc1nnc(CCC(=O)[O-])s1 ZINC001603557753 1096551559 /nfs/dbraw/zinc/55/15/59/1096551559.db2.gz KEABTXSWSBEILR-UHFFFAOYSA-N -2 0 340.430 2.562 20 0 EFADRL CC(C)c1ccc([N-]S(=O)(=O)c2cncc(F)c2)c(C(=O)[O-])c1 ZINC001604003160 1096693801 /nfs/dbraw/zinc/69/38/01/1096693801.db2.gz YXDSROWIGSUIFL-UHFFFAOYSA-N -2 0 338.360 2.843 20 0 EFADRL CC(C)c1oncc1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001604028918 1096704214 /nfs/dbraw/zinc/70/42/14/1096704214.db2.gz AVDWXIHOHLBJNP-UHFFFAOYSA-N -2 0 344.776 2.950 20 0 EFADRL C[C@](CC(=O)Nc1ccsc1C(=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001604076662 1096721765 /nfs/dbraw/zinc/72/17/65/1096721765.db2.gz SDZDVBVZMZOANQ-MRXNPFEDSA-N -2 0 333.365 2.817 20 0 EFADRL C[C@@H](NC(=O)Nc1cc(C(=O)[O-])cs1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001604295459 1096798494 /nfs/dbraw/zinc/79/84/94/1096798494.db2.gz LWZJCZJZDLJZMR-FKTZTGRPSA-N -2 0 340.401 2.703 20 0 EFADRL C[C@H](NC(=O)Nc1cc(C(=O)[O-])cs1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001604295461 1096798821 /nfs/dbraw/zinc/79/88/21/1096798821.db2.gz LWZJCZJZDLJZMR-UJNFCWOMSA-N -2 0 340.401 2.703 20 0 EFADRL C[C@@H](NC(=O)c1ccc(Cl)c([O-])c1)c1ncc(C(=O)[O-])s1 ZINC001604311514 1096802644 /nfs/dbraw/zinc/80/26/44/1096802644.db2.gz NYOBSQDYVFNBPJ-ZCFIWIBFSA-N -2 0 326.761 2.691 20 0 EFADRL CC1(C(=O)[O-])CCN(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])CC1 ZINC001604499208 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CCC[C@H](CC1CCCC1)C(=O)[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001595587505 981542455 /nfs/dbraw/zinc/54/24/55/981542455.db2.gz OWLSZIGNXULXAW-CYBMUJFWSA-N -2 0 347.477 2.540 20 0 EFADRL CC[C@](C)(CC(=O)[O-])NC(=O)c1cccc(Br)c1[O-] ZINC001594823408 981975887 /nfs/dbraw/zinc/97/58/87/981975887.db2.gz AYSJNBDNBPKQIY-CYBMUJFWSA-N -2 0 330.178 2.528 20 0 EFADRL CCC(C)(CC)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001594830525 982013419 /nfs/dbraw/zinc/01/34/19/982013419.db2.gz WDHDIRYLDODICJ-UHFFFAOYSA-N -2 0 347.820 2.669 20 0 EFADRL CCCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001595699202 982256911 /nfs/dbraw/zinc/25/69/11/982256911.db2.gz YDYXPLQSTNYABM-NSHDSACASA-N -2 0 345.417 2.779 20 0 EFADRL CCCN(C(=O)c1cc(Br)c(F)cc1[O-])[C@@H](C)C(=O)[O-] ZINC001595824620 982705662 /nfs/dbraw/zinc/70/56/62/982705662.db2.gz NYRLKEOZPVBPNL-ZETCQYMHSA-N -2 0 348.168 2.619 20 0 EFADRL CCCN(CC(=O)[O-])Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001595858651 982789105 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CCc1nccc(C)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC001597702863 988933485 /nfs/dbraw/zinc/93/34/85/988933485.db2.gz FANMFUBNEBBJSS-UHFFFAOYSA-N -2 0 334.397 2.760 20 0 EFADRL CCc1ncsc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC001597712449 988976720 /nfs/dbraw/zinc/97/67/20/988976720.db2.gz TWFBIQGJFYHKIU-UHFFFAOYSA-N -2 0 326.399 2.513 20 0 EFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c(O)c1C ZINC001597785197 989301507 /nfs/dbraw/zinc/30/15/07/989301507.db2.gz CBGIOWDXIJJBIF-UHFFFAOYSA-N -2 0 339.369 2.663 20 0 EFADRL CC(C)(C)c1coc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC001590526561 990135525 /nfs/dbraw/zinc/13/55/25/990135525.db2.gz CJYDHBJRCNFEOE-UHFFFAOYSA-N -2 0 342.348 2.610 20 0 EFADRL COc1ccsc1S(=O)(=O)[N-]c1cccc([C@@H](C)C(=O)[O-])c1 ZINC001599722390 991562355 /nfs/dbraw/zinc/56/23/55/991562355.db2.gz IGAVRFNZQAPMQY-SECBINFHSA-N -2 0 341.410 2.746 20 0 EFADRL CC(C)CCc1ccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)nc1 ZINC001591266507 992180497 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C[C@@H](S[C@@H](C)C(=O)[O-])C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC001593658421 996032164 /nfs/dbraw/zinc/03/21/64/996032164.db2.gz FMJACFSHPKJPDB-RQJHMYQMSA-N -2 0 331.777 2.572 20 0 EFADRL CC1(C)Cc2cccc(S(=O)(=O)[N-]c3ccccc3C(=O)[O-])c2O1 ZINC001593969013 997126510 /nfs/dbraw/zinc/12/65/10/997126510.db2.gz SCCIVMHYGJZUTM-UHFFFAOYSA-N -2 0 347.392 2.899 20 0 EFADRL CC1(C)Cc2cccc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])c2O1 ZINC001593969306 997132259 /nfs/dbraw/zinc/13/22/59/997132259.db2.gz IQPJPQLPYVGTCM-UHFFFAOYSA-N -2 0 347.392 2.899 20 0 EFADRL COCC[C@@H](Cc1cccc(-c2cncc(C(=O)[O-])c2)c1)C(=O)[O-] ZINC001599211888 997516609 /nfs/dbraw/zinc/51/66/09/997516609.db2.gz OMJCXFRDSQMLAO-AWEZNQCLSA-N -2 0 329.352 2.727 20 0 EFADRL COc1ccc(C)cc1S(=O)(=O)[N-]c1sc(C)cc1C(=O)[O-] ZINC001599535727 997742180 /nfs/dbraw/zinc/74/21/80/997742180.db2.gz KBDVCFPMJLQWOU-UHFFFAOYSA-N -2 0 341.410 2.873 20 0 EFADRL COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])sc1C ZINC001599535829 997742923 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Cc1cc(C=O)c([O-])c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)c1 ZINC001600186522 1094850644 /nfs/dbraw/zinc/85/06/44/1094850644.db2.gz WZLMQFPRARXKAI-UHFFFAOYSA-N -2 0 349.726 2.823 20 0 EFADRL Cc1cc(CNC(=O)c2cc(F)c([O-])c(Cl)c2)oc1C(=O)[O-] ZINC001600201525 1094872530 /nfs/dbraw/zinc/87/25/30/1094872530.db2.gz IKYYWZXLRNJYEF-UHFFFAOYSA-N -2 0 327.695 2.714 20 0 EFADRL Cc1cc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])ccc1C(=O)[O-] ZINC001600262870 1094922033 /nfs/dbraw/zinc/92/20/33/1094922033.db2.gz VRLLQUVMQYESKM-CYBMUJFWSA-N -2 0 334.372 2.944 20 0 EFADRL Cc1cc(NC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)ccc1C(=O)[O-] ZINC001600263717 1094925123 /nfs/dbraw/zinc/92/51/23/1094925123.db2.gz BYYZYIPNSWKMGJ-LEWSCRJBSA-N -2 0 348.399 2.950 20 0 EFADRL Cc1cc(S(=O)(=O)[N-]C(=O)[C@H](C)CCC(C)(C)C)oc1C(=O)[O-] ZINC001600296009 1094951978 /nfs/dbraw/zinc/95/19/78/1094951978.db2.gz FDIYSLHECPBKSI-SECBINFHSA-N -2 0 345.417 2.554 20 0 EFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])c(F)c2)sc1C ZINC001600301226 1094952800 /nfs/dbraw/zinc/95/28/00/1094952800.db2.gz SAWUVSPKXYDTEB-UHFFFAOYSA-N -2 0 343.401 2.932 20 0 EFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(C)(C)C)nn2)ccc1C(=O)[O-] ZINC001600301247 1094954072 /nfs/dbraw/zinc/95/40/72/1094954072.db2.gz VGXPARJFIBQYDE-UHFFFAOYSA-N -2 0 349.412 2.582 20 0 EFADRL Cc1cc(S(=O)(=O)[N-]c2ncsc2C(C)C)oc1C(=O)[O-] ZINC001600301510 1094955810 /nfs/dbraw/zinc/95/58/10/1094955810.db2.gz KTZQZBOXQCNTLX-UHFFFAOYSA-N -2 0 330.387 2.667 20 0 EFADRL Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001600359423 1095000702 /nfs/dbraw/zinc/00/07/02/1095000702.db2.gz MINCTVZQMWRELM-KGYLQXTDSA-N -2 0 348.399 2.950 20 0 EFADRL Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)c1 ZINC001600425516 1095055938 /nfs/dbraw/zinc/05/59/38/1095055938.db2.gz UYDJUCMLWKEDJO-UHFFFAOYSA-N -2 0 326.761 2.542 20 0 EFADRL Cc1ccc(S(=O)(=O)[N-]c2c(C)ccc(C(=O)[O-])c2O)cc1C ZINC001600483039 1095099403 /nfs/dbraw/zinc/09/94/03/1095099403.db2.gz XKYWPLNZHZCPCR-UHFFFAOYSA-N -2 0 335.381 2.816 20 0 EFADRL Cc1ccc2[nH]c([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)nc2c1 ZINC001600488183 1095103887 /nfs/dbraw/zinc/10/38/87/1095103887.db2.gz BOGKTKIECJUASV-UHFFFAOYSA-N -2 0 349.343 2.509 20 0 EFADRL Cc1ccc2[nH]c([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)nc2c1 ZINC001600489334 1095103967 /nfs/dbraw/zinc/10/39/67/1095103967.db2.gz UFFMIZBZPUACKO-UHFFFAOYSA-N -2 0 345.380 2.679 20 0 EFADRL Cc1nc([N-]S(=O)(=O)Cc2c(C)cccc2C)sc1C(=O)[O-] ZINC001600521726 1095131439 /nfs/dbraw/zinc/13/14/39/1095131439.db2.gz UGRNEEPZUOLCMR-UHFFFAOYSA-N -2 0 340.426 2.708 20 0 EFADRL Cc1cscc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC001600669202 1095250937 /nfs/dbraw/zinc/25/09/37/1095250937.db2.gz YTZRUJWNICADER-UHFFFAOYSA-N -2 0 332.790 2.604 20 0 EFADRL Cc1nc(C)c([N-]S(=O)(=O)CC2(C(=O)[O-])CCCCC2)s1 ZINC001600692941 1095263508 /nfs/dbraw/zinc/26/35/08/1095263508.db2.gz UTRIYMLFKZMMKL-UHFFFAOYSA-N -2 0 332.447 2.537 20 0 EFADRL Cc1noc(C(C)C)c1[N-]S(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001600806109 1095343198 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2.560 20 0 EFADRL O=C([O-])c1ccc(F)c(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001601243563 1095574821 /nfs/dbraw/zinc/57/48/21/1095574821.db2.gz FQDMTILMAKTZOE-LBPRGKRZSA-N -2 0 331.299 2.721 20 0 EFADRL O=C([O-])[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccccc1F ZINC001601400175 1095656790 /nfs/dbraw/zinc/65/67/90/1095656790.db2.gz VUBGPEULBYBLNY-LBPRGKRZSA-N -2 0 343.232 2.504 20 0 EFADRL O=C([O-])[C@H](CCF)NC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC001601412791 1095664554 /nfs/dbraw/zinc/66/45/54/1095664554.db2.gz MIWIWGCRHLWTEI-LBPRGKRZSA-N -2 0 325.723 2.741 20 0 EFADRL O=C([O-])[C@H](CF)NC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001601419305 1095666467 /nfs/dbraw/zinc/66/64/67/1095666467.db2.gz LTCBDKSLSLROHH-ZDUSSCGKSA-N -2 0 337.734 2.865 20 0 EFADRL O=C([O-])[C@H](Cc1cc2ccccc2o1)NC(=O)c1cccc(F)c1[O-] ZINC001601421121 1095667880 /nfs/dbraw/zinc/66/78/80/1095667880.db2.gz HDSALJSYRLBQBU-AWEZNQCLSA-N -2 0 343.310 2.703 20 0 EFADRL O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)c1cccc(Cl)c1[O-] ZINC001601566012 1095734287 /nfs/dbraw/zinc/73/42/87/1095734287.db2.gz ONWGPNSNUVTDBG-ZDUSSCGKSA-N -2 0 337.734 2.610 20 0 EFADRL O=C([O-])C12CCC(C(=O)Nc3ccc(-c4cc(=O)[nH][nH]4)cc3)(CC1)C2 ZINC001601732582 1095871833 /nfs/dbraw/zinc/87/18/33/1095871833.db2.gz FTGAZDWAJGMPQI-UHFFFAOYSA-N -2 0 341.367 2.756 20 0 EFADRL O=C([O-])[C@H]1CC[C@H](Nc2cc(F)cc(C[N-]C(=O)C(F)(F)F)c2)C1 ZINC001601795635 1095905470 /nfs/dbraw/zinc/90/54/70/1095905470.db2.gz GEFHXUBSMHMXCT-ONGXEEELSA-N -2 0 348.296 2.669 20 0 EFADRL O=C([O-])[C@H]1Cc2ccccc2N(C(=O)c2cccc(Cl)c2[O-])C1 ZINC001601866291 1095943010 /nfs/dbraw/zinc/94/30/10/1095943010.db2.gz OIAKWOLTJWBAQE-NSHDSACASA-N -2 0 331.755 2.949 20 0 EFADRL O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1ccc(Cl)c([O-])c1 ZINC001601869135 1095943973 /nfs/dbraw/zinc/94/39/73/1095943973.db2.gz UQRSWFVGOOPLDJ-HNNXBMFYSA-N -2 0 331.755 2.870 20 0 EFADRL O=C([O-])C[C@H](NC(=O)c1s[n-]c(=O)c1Cl)c1cccs1 ZINC001601907082 1095970347 /nfs/dbraw/zinc/97/03/47/1095970347.db2.gz IIUZBMSUWNTVOG-YFKPBYRVSA-N 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ZINC001602047481 1096036492 /nfs/dbraw/zinc/03/64/92/1096036492.db2.gz OCIMQSFCISJSSV-UHFFFAOYSA-N -2 0 346.286 2.536 20 0 EFADRL O=C([O-])CCc1csc(NC(=O)c2ccc3oc(=S)[n-]c3c2)n1 ZINC001602047273 1096037218 /nfs/dbraw/zinc/03/72/18/1096037218.db2.gz FGABURRVFDVPQS-UHFFFAOYSA-N -2 0 349.393 2.843 20 0 EFADRL O=C([O-])CSCc1cccc(NC(=O)NO[C@H]2CCCCO2)c1 ZINC001602102574 1096063908 /nfs/dbraw/zinc/06/39/08/1096063908.db2.gz WGBVVOGBUOMASX-AWEZNQCLSA-N -2 0 340.401 2.584 20 0 EFADRL O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1cccc(Br)c1[O-] ZINC001602106368 1096067335 /nfs/dbraw/zinc/06/73/35/1096067335.db2.gz GGGUXGHGEWGOSB-GZMMTYOYSA-N -2 0 342.189 2.528 20 0 EFADRL O=C([O-])Cn1ncc2ccc(NC(=O)c3ccc(Cl)cc3[O-])cc21 ZINC001602168482 1096100029 /nfs/dbraw/zinc/10/00/29/1096100029.db2.gz LILMIQCJZQHMRD-UHFFFAOYSA-N -2 0 345.742 2.732 20 0 EFADRL O=C([O-])Cn1ncc2ccc(NC(=O)c3ccc(Cl)c([O-])c3)cc21 ZINC001602168146 1096100298 /nfs/dbraw/zinc/10/02/98/1096100298.db2.gz FBMQVDNVPFGMCR-UHFFFAOYSA-N -2 0 345.742 2.732 20 0 EFADRL O=C([O-])[C@@H]1C[N@@H+](Cc2ccc(O)c(F)c2F)C[C@H]1c1ccc(O)cc1 ZINC001602188665 1096108819 /nfs/dbraw/zinc/10/88/19/1096108819.db2.gz INHUVOOWXPPDAC-UONOGXRCSA-N -2 0 349.333 2.676 20 0 EFADRL O=C([O-])c1c(Cl)cccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC001602228212 1096128070 /nfs/dbraw/zinc/12/80/70/1096128070.db2.gz RCJVLKOMTZUFGN-BDAKNGLRSA-N -2 0 325.748 2.868 20 0 EFADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(Cl)n2)c1 ZINC001602264019 1096148596 /nfs/dbraw/zinc/14/85/96/1096148596.db2.gz DAMAIHPNZWHKHC-UHFFFAOYSA-N -2 0 347.179 2.887 20 0 EFADRL O=C([O-])c1cc(NC(=O)[C@@H]2CCC[C@@H]2C(=O)[O-])cc(F)c1Cl ZINC001602280885 1096157655 /nfs/dbraw/zinc/15/76/55/1096157655.db2.gz GKOIUTOUXBJXMT-SFYZADRCSA-N -2 0 329.711 2.617 20 0 EFADRL O=C([O-])c1ccc(COC(=O)c2c(F)cc([O-])cc2F)c(F)c1 ZINC001602353913 1096201078 /nfs/dbraw/zinc/20/10/78/1096201078.db2.gz PTDKOVUCVNRWOE-UHFFFAOYSA-N -2 0 326.226 2.865 20 0 EFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(C3CCCC3)c2)s1 ZINC001602402236 1096222382 /nfs/dbraw/zinc/22/23/82/1096222382.db2.gz QMCICXZVANZBOQ-UHFFFAOYSA-N -2 0 341.414 2.559 20 0 EFADRL O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc(F)cc(F)c1[O-])CC2 ZINC001602419979 1096234023 /nfs/dbraw/zinc/23/40/23/1096234023.db2.gz NUOOGSPSPALZLE-UHFFFAOYSA-N -2 0 333.290 2.567 20 0 EFADRL O=C([O-])c1cccc(CC(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC001602434116 1096243094 /nfs/dbraw/zinc/24/30/94/1096243094.db2.gz DHBPBCTXLZWUNV-OAHLLOKOSA-N -2 0 339.347 2.532 20 0 EFADRL O=C([O-])c1cccc2c1CCN(C(=O)c1cc(F)c([O-])c(F)c1)C2 ZINC001602456511 1096254400 /nfs/dbraw/zinc/25/44/00/1096254400.db2.gz YKFDLTTUNFRDHG-UHFFFAOYSA-N -2 0 333.290 2.567 20 0 EFADRL O=C([O-])c1ccsc1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC001602490776 1096272048 /nfs/dbraw/zinc/27/20/48/1096272048.db2.gz VBBWBQTURABIPK-UHFFFAOYSA-N -2 0 337.300 2.664 20 0 EFADRL O=C([O-])c1cncc(S(=O)(=O)[N-]c2cccc3ccsc32)c1 ZINC001602543623 1096290692 /nfs/dbraw/zinc/29/06/92/1096290692.db2.gz NIBOOJYXHHRBCK-UHFFFAOYSA-N 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ZINC001603214739 1096475357 /nfs/dbraw/zinc/47/53/57/1096475357.db2.gz UURSFFSINBJZGR-NSHDSACASA-N -2 0 347.392 2.610 20 0 EFADRL CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)CCCC(=O)[O-])cc1 ZINC001603539475 1096547508 /nfs/dbraw/zinc/54/75/08/1096547508.db2.gz RVBMQSJJNGKLNL-AWEZNQCLSA-N -2 0 335.400 2.871 20 0 EFADRL CC(C)(CCC(=O)[O-])NC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001603593316 1096563061 /nfs/dbraw/zinc/56/30/61/1096563061.db2.gz WIDFFAIHFBNTBX-UHFFFAOYSA-N -2 0 333.344 2.631 20 0 EFADRL CC(C)c1ccccc1NC(=O)N1CC[C@@H](C(=O)[O-])C[C@H]1C(=O)[O-] ZINC001604010079 1096696369 /nfs/dbraw/zinc/69/63/69/1096696369.db2.gz SMBDTJZKCUGJJQ-RISCZKNCSA-N -2 0 334.372 2.592 20 0 EFADRL CC(C)c1ccccc1NC(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC001604010127 1096697007 /nfs/dbraw/zinc/69/70/07/1096697007.db2.gz UXKGAWMFNJMTTC-BXUZGUMPSA-N -2 0 334.372 2.592 20 0 EFADRL CC(C)c1sc([N-]S(=O)(=O)c2ccc(F)cc2)nc1C(=O)[O-] ZINC001604032069 1096705306 /nfs/dbraw/zinc/70/53/06/1096705306.db2.gz 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20 0 EFADRL Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)c([O-])c2)C(=O)[O-])cc1 ZINC001607756355 1097721987 /nfs/dbraw/zinc/72/19/87/1097721987.db2.gz IHFDNNUGYYTWNU-CYBMUJFWSA-N -2 0 333.771 2.952 20 0 EFADRL Cc1ccc([C@H](CNC(=O)c2cc(F)cc(F)c2[O-])C(=O)[O-])cc1 ZINC001607757279 1097722275 /nfs/dbraw/zinc/72/22/75/1097722275.db2.gz UWTQRGDKRQYUER-ZDUSSCGKSA-N -2 0 335.306 2.577 20 0 EFADRL CC(=C([O-])c1[nH]c(C)c(C(=O)[O-])c1C)S(=O)(=O)c1cccc(C)c1 ZINC001607862676 1097757860 /nfs/dbraw/zinc/75/78/60/1097757860.db2.gz XRCXKNFTFVTXEK-LBPRGKRZSA-N -2 0 349.408 2.683 20 0 EFADRL Cc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2N)c1Cl ZINC001607863058 1097758288 /nfs/dbraw/zinc/75/82/88/1097758288.db2.gz KDONCFHMOWWQGT-UHFFFAOYSA-N -2 0 340.788 2.730 20 0 EFADRL Cc1cnc(C(=O)N2CCCCc3cc(C(=O)[O-])ccc32)c([O-])c1 ZINC001607903379 1097772824 /nfs/dbraw/zinc/77/28/24/1097772824.db2.gz REBPGWWDAQXHGR-UHFFFAOYSA-N -2 0 326.352 2.777 20 0 EFADRL Cc1csc([N-]S(=O)(=O)c2ccc(Cl)nc2C)c1C(=O)[O-] ZINC001607934371 1097782054 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EFADRL CCC[C@@](C)(NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])C(=O)[O-] ZINC001595554267 981435327 /nfs/dbraw/zinc/43/53/27/981435327.db2.gz XQPFBRVSVVRPNL-GOSISDBHSA-N -2 0 345.351 2.838 20 0 EFADRL CCCCC1CCC(C(=O)[N-]S(=O)(=O)[C@@H](C)[C@H](C)C(=O)[O-])CC1 ZINC001595660647 982072687 /nfs/dbraw/zinc/07/26/87/982072687.db2.gz LKHZHQMFZXFZDX-FEPKRQSRSA-N -2 0 347.477 2.538 20 0 EFADRL CCCCC[C@@](C)(CC)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001595666634 982105072 /nfs/dbraw/zinc/10/50/72/982105072.db2.gz PNXYUJUWKJQBKY-OAHLLOKOSA-N -2 0 345.417 2.779 20 0 EFADRL CCCCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001595669232 982113431 /nfs/dbraw/zinc/11/34/31/982113431.db2.gz GKWUQPBXCVTCBS-NSHDSACASA-N -2 0 345.417 2.698 20 0 EFADRL CCCCCc1ccc(OS(=O)(=O)c2cc(C(=O)[O-])n[n-]2)cc1 ZINC001595727238 982350929 /nfs/dbraw/zinc/35/09/29/982350929.db2.gz DEWHLOVCZXPIAK-UHFFFAOYSA-N -2 0 338.385 2.608 20 0 EFADRL CCCCc1cnc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)nc1 ZINC001595797316 982605748 /nfs/dbraw/zinc/60/57/48/982605748.db2.gz MKSROIFWYMXUBX-UHFFFAOYSA-N -2 0 349.412 2.627 20 0 EFADRL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2occc2C(=O)[O-])cc1 ZINC001595009773 982936669 /nfs/dbraw/zinc/93/66/69/982936669.db2.gz YVMODLUQYRSZML-SNVBAGLBSA-N -2 0 339.369 2.956 20 0 EFADRL CCCc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n1 ZINC001596074614 983388838 /nfs/dbraw/zinc/38/88/38/983388838.db2.gz DRCAQGHOMNASQP-UHFFFAOYSA-N -2 0 332.428 2.656 20 0 EFADRL CCCc1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)s1 ZINC001596082630 983401858 /nfs/dbraw/zinc/40/18/58/983401858.db2.gz UKQQLBNFOHOMKU-UHFFFAOYSA-N -2 0 340.426 2.903 20 0 EFADRL CCCc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)s1 ZINC001596082714 983402484 /nfs/dbraw/zinc/40/24/84/983402484.db2.gz YNFMYVYIXRECFN-UHFFFAOYSA-N -2 0 332.428 2.656 20 0 EFADRL CCN(C(=O)c1ccc2[n-]c(=S)oc2c1)c1ncc(C(=O)[O-])s1 ZINC001596169638 983533675 /nfs/dbraw/zinc/53/36/75/983533675.db2.gz ISBJDZIEGMVHCN-UHFFFAOYSA-N -2 0 349.393 2.938 20 0 EFADRL CC(=O)c1cc(F)c([O-])c(NC(=O)c2c(C)coc2CC(=O)[O-])c1 ZINC001589271308 985973029 /nfs/dbraw/zinc/97/30/29/985973029.db2.gz YBXNVJUABGJAIK-UHFFFAOYSA-N -2 0 335.287 2.515 20 0 EFADRL CCC(=O)c1ccc([O-])c(NC(=O)c2ccc(C=CC(=O)[O-])o2)c1 ZINC001594721140 987203252 /nfs/dbraw/zinc/20/32/52/987203252.db2.gz QWLDBLNQRAEHRN-VMPITWQZSA-N -2 0 329.308 2.928 20 0 EFADRL CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)c1 ZINC001594721999 987208147 /nfs/dbraw/zinc/20/81/47/987208147.db2.gz GQQAVDPMQHYRMH-UHFFFAOYSA-N -2 0 337.353 2.680 20 0 EFADRL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)C2(C(=O)[O-])CCCCCC2)C1 ZINC001589604451 987445339 /nfs/dbraw/zinc/44/53/39/987445339.db2.gz XUYCYUFWNQXGGE-ZDUSSCGKSA-N -2 0 339.432 2.761 20 0 EFADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001589634241 987549254 /nfs/dbraw/zinc/54/92/54/987549254.db2.gz WZVUGTOMJPKYHV-GOSISDBHSA-N -2 0 331.368 2.798 20 0 EFADRL CCc1cc(C(=O)[O-])c(NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])s1 ZINC001597441243 987802904 /nfs/dbraw/zinc/80/29/04/987802904.db2.gz SXBWCXXTXDNOSK-RNFRBKRXSA-N -2 0 331.415 2.542 20 0 EFADRL CCc1ccc(-c2nc(CN(CCC(=O)[O-])CC(=O)[O-])cs2)cc1 ZINC001597492628 988031093 /nfs/dbraw/zinc/03/10/93/988031093.db2.gz RRLAZMXBHHVUJY-UHFFFAOYSA-N -2 0 348.424 2.734 20 0 EFADRL CC(C)(C)CC[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)C(=O)[O-] ZINC001589766518 988112952 /nfs/dbraw/zinc/11/29/52/988112952.db2.gz HQFQWNHPRMNKSD-AWEZNQCLSA-N -2 0 335.400 2.713 20 0 EFADRL CSCc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001599804208 988226816 /nfs/dbraw/zinc/22/68/16/988226816.db2.gz GVBOBZQMIFDOSZ-UHFFFAOYSA-N -2 0 341.410 2.950 20 0 EFADRL CSc1ccc([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])cn1 ZINC001599820925 988512221 /nfs/dbraw/zinc/51/22/21/988512221.db2.gz PBFBJOQJBRTHEA-UHFFFAOYSA-N -2 0 344.439 2.672 20 0 EFADRL CCc1ccncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC001597623214 988570269 /nfs/dbraw/zinc/57/02/69/988570269.db2.gz SSZUCQHWOQBBMJ-UHFFFAOYSA-N -2 0 338.360 2.591 20 0 EFADRL CSc1cccnc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC001599826142 988600597 /nfs/dbraw/zinc/60/05/97/988600597.db2.gz YRGBOQUZZBGULU-UHFFFAOYSA-N -2 0 342.398 2.512 20 0 EFADRL CCc1nc(C)c([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])s1 ZINC001597660936 988728738 /nfs/dbraw/zinc/72/87/38/988728738.db2.gz HINOLMQXJGGIBD-UHFFFAOYSA-N -2 0 346.455 2.883 20 0 EFADRL C[C@@H]1C[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2[O-])O[C@H]1C(=O)[O-] ZINC001599875892 989418542 /nfs/dbraw/zinc/41/85/42/989418542.db2.gz QZMKDUHCDXPWHY-UZNWJXFASA-N -2 0 334.155 2.516 20 0 EFADRL CN(C(=O)c1cccc(Cl)c1[O-])c1ccc(OCC(=O)[O-])cc1 ZINC001598090903 990433005 /nfs/dbraw/zinc/43/30/05/990433005.db2.gz AIVDAHMBKGGSGJ-UHFFFAOYSA-N -2 0 335.743 2.786 20 0 EFADRL CC(C)(CNC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])CC(=O)[O-] ZINC001590749431 990549041 /nfs/dbraw/zinc/54/90/41/990549041.db2.gz WAKNEAOVROXSJI-UHFFFAOYSA-N -2 0 345.351 2.695 20 0 EFADRL CC(C)(CS(=O)(=O)[N-]c1cccc(F)c1C(C)(F)F)C(=O)[O-] ZINC001590811983 990641974 /nfs/dbraw/zinc/64/19/74/990641974.db2.gz DWEDASVJFKUDDR-UHFFFAOYSA-N -2 0 339.335 2.790 20 0 EFADRL CC(C)C[C@@](C)(CC(=O)[O-])C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC001591129884 991820597 /nfs/dbraw/zinc/82/05/97/991820597.db2.gz DPLDHPHYILYJJZ-INIZCTEOSA-N -2 0 325.336 2.990 20 0 EFADRL CC(C)C[C@@H](CNC(=O)Nc1ccc(CCC(=O)[O-])cc1)C(=O)[O-] ZINC001591150932 991895226 /nfs/dbraw/zinc/89/52/26/991895226.db2.gz UNNCUNBOGWKQJS-ZDUSSCGKSA-N -2 0 336.388 2.572 20 0 EFADRL CC(C)C[C@H](CNC(=O)Nc1ccsc1C(=O)[O-])CC(=O)[O-] ZINC001591448142 992550324 /nfs/dbraw/zinc/55/03/24/992550324.db2.gz ADRNQZQVHBCDSB-VIFPVBQESA-N -2 0 328.390 2.705 20 0 EFADRL COc1ccc(S(=O)(=O)[N-]c2sc(C)cc2C(=O)[O-])c(C)c1 ZINC001599617962 994042698 /nfs/dbraw/zinc/04/26/98/994042698.db2.gz QEZGMGVOTUPZEE-UHFFFAOYSA-N -2 0 341.410 2.873 20 0 EFADRL C[C@H](NC(=O)c1cccc(F)c1[O-])[C@H](Cc1ccccc1)C(=O)[O-] ZINC001593175704 994048501 /nfs/dbraw/zinc/04/85/01/994048501.db2.gz XEOXPPKTQXIVNZ-FZMZJTMJSA-N -2 0 331.343 2.593 20 0 EFADRL COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2cccc(F)c2[O-])c1 ZINC001599651691 994513743 /nfs/dbraw/zinc/51/37/43/994513743.db2.gz ADCXZWIAIINOGD-GOSISDBHSA-N -2 0 347.342 2.660 20 0 EFADRL C[C@@H](S[C@@H](C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C(=O)[O-] ZINC001593659024 996034935 /nfs/dbraw/zinc/03/49/35/996034935.db2.gz QNEMDVXUKXXUKP-VHSXEESVSA-N -2 0 339.413 2.582 20 0 EFADRL C[C@@]1(C(=O)[O-])CCN(C(=O)Nc2scc(C3CC3)c2C(=O)[O-])C1 ZINC001593792648 996510227 /nfs/dbraw/zinc/51/02/27/996510227.db2.gz USCPSMKUJUNUSV-OAHLLOKOSA-N -2 0 338.385 2.652 20 0 EFADRL COCc1cc(NC(=O)CC2(CC(=O)[O-])CCCC2)cc(C(=O)[O-])c1 ZINC001599284128 996945767 /nfs/dbraw/zinc/94/57/67/996945767.db2.gz PVZYFLYZMVHQQN-UHFFFAOYSA-N -2 0 349.383 2.895 20 0 EFADRL COc1cc(NC(=O)CC2(CC(=O)[O-])CCCC2)ccc1C(=O)[O-] ZINC001599430822 997756247 /nfs/dbraw/zinc/75/62/47/997756247.db2.gz BLIRQOIVAVYNOF-UHFFFAOYSA-N -2 0 335.356 2.757 20 0 EFADRL CC1(c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)no2)CCCC1 ZINC001594069325 997898699 /nfs/dbraw/zinc/89/86/99/997898699.db2.gz AJIQETWTWWBGIL-UHFFFAOYSA-N -2 0 340.357 2.598 20 0 EFADRL COc1cc(NC(=O)c2ncc3ccccc3c2[O-])ccc1C(=O)[O-] ZINC001599443951 997975815 /nfs/dbraw/zinc/97/58/15/997975815.db2.gz AAAKOBCRZNFEFG-UHFFFAOYSA-N -2 0 338.319 2.900 20 0 EFADRL COc1cc(S(=O)(=O)Nc2cccc(C)c2C)ccc1C(=O)[O-] ZINC001599459212 998241992 /nfs/dbraw/zinc/24/19/92/998241992.db2.gz HBYZBACCDLRJSY-UHFFFAOYSA-N -2 0 335.381 2.811 20 0 EFADRL C[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2[O-])[C@H](C(=O)[O-])C1 ZINC001594411834 999537331 /nfs/dbraw/zinc/53/73/31/999537331.db2.gz YBJCACVDQCLKJR-KCJUWKMLSA-N -2 0 331.290 2.736 20 0 EFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(C(F)F)c2)c(O)c1 ZINC000780374665 1092296220 /nfs/dbraw/zinc/29/62/20/1092296220.db2.gz AIDODOCUPHWCSY-UHFFFAOYSA-N -2 0 343.307 2.829 20 0 EFADRL CC(C)(CCNc1ccc(C(F)(F)F)cc1-c1nn[nH]n1)C(=O)[O-] ZINC001589275521 1093063501 /nfs/dbraw/zinc/06/35/01/1093063501.db2.gz CYIBJCBYNSQOKK-UHFFFAOYSA-N -2 0 343.309 2.798 20 0 EFADRL O=C(Nc1cccc(Cl)c1[O-])c1ccc(F)c(-c2nn[nH]n2)c1 ZINC001593247411 1094252158 /nfs/dbraw/zinc/25/21/58/1094252158.db2.gz LWCOMBVFJGXNCI-UHFFFAOYSA-N -2 0 333.710 2.617 20 0 EFADRL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001600016792 1094722247 /nfs/dbraw/zinc/72/22/47/1094722247.db2.gz CIEPLDIPPOGEOY-UHFFFAOYSA-N -2 0 326.761 2.542 20 0 EFADRL Cc1c([N-]S(=O)(=O)c2cncc(Cl)c2)ccc(F)c1C(=O)[O-] ZINC001600054940 1094743718 /nfs/dbraw/zinc/74/37/18/1094743718.db2.gz RANRMBVUQYZLHF-UHFFFAOYSA-N -2 0 344.751 2.682 20 0 EFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccnc(Cl)c1C ZINC001600125365 1094786383 /nfs/dbraw/zinc/78/63/83/1094786383.db2.gz OAUKLCVCALMLAL-UHFFFAOYSA-N -2 0 340.788 2.851 20 0 EFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1nc2cc(F)ccc2[nH]1 ZINC001600125514 1094786921 /nfs/dbraw/zinc/78/69/21/1094786921.db2.gz XONVFXYSOXXQQE-UHFFFAOYSA-N -2 0 349.343 2.509 20 0 EFADRL Cc1cc([C@@H](NC(=O)c2cc(F)cc(F)c2[O-])C(=O)[O-])ccc1F ZINC001600150792 1094813976 /nfs/dbraw/zinc/81/39/76/1094813976.db2.gz RASIEIJYZIXYJB-CYBMUJFWSA-N -2 0 339.269 2.674 20 0 EFADRL Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-] ZINC001600153426 1094816233 /nfs/dbraw/zinc/81/62/33/1094816233.db2.gz COOGIVQAMLLUGH-NXEZZACHSA-N -2 0 325.386 2.535 20 0 EFADRL Cc1cc(C)c(C(=O)[O-])cc1NC(=O)N1CCC[C@H](CC(=O)[O-])C1 ZINC001600157164 1094819628 /nfs/dbraw/zinc/81/96/28/1094819628.db2.gz WEIRGTOXBCFDKZ-GFCCVEGCSA-N -2 0 334.372 2.720 20 0 EFADRL Cc1cc(C)c([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1O ZINC001600163167 1094827521 /nfs/dbraw/zinc/82/75/21/1094827521.db2.gz BKZOYWVABWHRJD-UHFFFAOYSA-N -2 0 327.383 2.570 20 0 EFADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cc(O)c(C)cc1C ZINC001600163487 1094827731 /nfs/dbraw/zinc/82/77/31/1094827731.db2.gz LRYWQXXVZPGUEB-UHFFFAOYSA-N -2 0 341.410 2.878 20 0 EFADRL Cc1cc(C)cc([C@@H](NC(=O)c2cc(F)cc(F)c2[O-])C(=O)[O-])c1 ZINC001600169633 1094834127 /nfs/dbraw/zinc/83/41/27/1094834127.db2.gz KSFDOTKTXHWCRF-CQSZACIVSA-N -2 0 335.306 2.843 20 0 EFADRL Cc1cc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])cc(C(=O)[O-])c1 ZINC001600262150 1094923137 /nfs/dbraw/zinc/92/31/37/1094923137.db2.gz PBUORRHFBQPHAY-AWEZNQCLSA-N -2 0 334.372 2.944 20 0 EFADRL Cc1cc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)nn1C(C)C ZINC001600283974 1094943679 /nfs/dbraw/zinc/94/36/79/1094943679.db2.gz IZEYBBXWUHMHGA-RMKNXTFCSA-N -2 0 349.412 2.671 20 0 EFADRL Cc1cc([N-]S(=O)(=O)c2ccc(C(F)F)o2)nc(C)c1C(=O)[O-] ZINC001600284000 1094943893 /nfs/dbraw/zinc/94/38/93/1094943893.db2.gz LYTREWJEIDPOKM-UHFFFAOYSA-N -2 0 346.311 2.728 20 0 EFADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)sn1 ZINC001600301811 1094954907 /nfs/dbraw/zinc/95/49/07/1094954907.db2.gz WRHLGEURRJXFAK-UHFFFAOYSA-N -2 0 326.399 2.567 20 0 EFADRL Cc1cc(S(=O)(=O)[N-]c2nc(C(C)C)c(C(=O)[O-])s2)c(C)o1 ZINC001600301538 1094956095 /nfs/dbraw/zinc/95/60/95/1094956095.db2.gz OLFAMUSEUHZNQJ-UHFFFAOYSA-N -2 0 344.414 2.975 20 0 EFADRL Cc1cc2cc([N-]S(=O)(=O)c3cnc(C)c(C(=O)[O-])c3)ccc2[nH]1 ZINC001600309111 1094960032 /nfs/dbraw/zinc/96/00/32/1094960032.db2.gz SBXNSEBRZIXNPN-UHFFFAOYSA-N -2 0 345.380 2.679 20 0 EFADRL Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)c(O)c1C ZINC001600344922 1094987397 /nfs/dbraw/zinc/98/73/97/1094987397.db2.gz PCCOQMPXJAOZNO-JTQLQIEISA-N -2 0 346.408 2.907 20 0 EFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1noc2ccccc21 ZINC001600364453 1095003003 /nfs/dbraw/zinc/00/30/03/1095003003.db2.gz IGQLTGNLYDGGOS-UHFFFAOYSA-N -2 0 332.337 2.635 20 0 EFADRL Cc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC001600374959 1095014762 /nfs/dbraw/zinc/01/47/62/1095014762.db2.gz WMVITOQPGVAVOW-MRXNPFEDSA-N -2 0 341.363 2.568 20 0 EFADRL Cc1c(Cl)c(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(C)nc1 ZINC001600463961 1095085946 /nfs/dbraw/zinc/08/59/46/1095085946.db2.gz ILFFQQUSVBGCJB-UHFFFAOYSA-N -2 0 346.817 2.912 20 0 EFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c2cccnc12 ZINC001600463764 1095086052 /nfs/dbraw/zinc/08/60/52/1095086052.db2.gz NWKKFEYRCVEKSE-UHFFFAOYSA-N -2 0 332.337 2.635 20 0 EFADRL Cc1ccc(S(=O)(=O)[N-]c2cnn([C@@H](C)C3CC3)c2)c(C(=O)[O-])c1 ZINC001600483610 1095100629 /nfs/dbraw/zinc/10/06/29/1095100629.db2.gz BYHSVLJTHWHULI-NSHDSACASA-N -2 0 349.412 2.662 20 0 EFADRL Cc1c(Cl)c(C(=O)[O-])sc1S(=O)(=O)[N-]c1cc(C)ccn1 ZINC001600600367 1095202534 /nfs/dbraw/zinc/20/25/34/1095202534.db2.gz FTTDTBGFZHJRQU-UHFFFAOYSA-N -2 0 346.817 2.912 20 0 EFADRL Cc1coc(-c2cccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)c2)n1 ZINC001600638140 1095228742 /nfs/dbraw/zinc/22/87/42/1095228742.db2.gz OOMVFHXSTBFVNR-UHFFFAOYSA-N -2 0 348.336 2.742 20 0 EFADRL Cc1nc(-c2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])co3)cc2)co1 ZINC001600678885 1095254873 /nfs/dbraw/zinc/25/48/73/1095254873.db2.gz VNGAECHZGPMYPX-UHFFFAOYSA-N -2 0 348.336 2.742 20 0 EFADRL Cc1nc(CC(C)C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)s1 ZINC001600696359 1095268675 /nfs/dbraw/zinc/26/86/75/1095268675.db2.gz AVBMXBIZUUQUBL-UHFFFAOYSA-N -2 0 344.414 2.742 20 0 EFADRL Cc1nc([N-]S(=O)(=O)c2cccc(C(F)F)c2)sc1C(=O)[O-] ZINC001600717248 1095285863 /nfs/dbraw/zinc/28/58/63/1095285863.db2.gz DHGSCISJTOJIFC-UHFFFAOYSA-N -2 0 348.352 2.888 20 0 EFADRL Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)c1ccc(Cl)c([O-])c1 ZINC001600786439 1095332331 /nfs/dbraw/zinc/33/23/31/1095332331.db2.gz QSLSCSYUWQBMGJ-UHFFFAOYSA-N -2 0 337.763 2.586 20 0 EFADRL Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)c1ccc([O-])c(Cl)c1 ZINC001600786069 1095332631 /nfs/dbraw/zinc/33/26/31/1095332631.db2.gz GENJXVXGZMOEDJ-UHFFFAOYSA-N -2 0 337.763 2.586 20 0 EFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(C3CCC3)cn2)cc1C(=O)[O-] ZINC001600856095 1095385580 /nfs/dbraw/zinc/38/55/80/1095385580.db2.gz OSIIURNHLALKPE-UHFFFAOYSA-N -2 0 336.369 2.750 20 0 EFADRL Cc1oc(S(=O)(=O)[N-]c2ncc(C(C)C)s2)cc1C(=O)[O-] ZINC001600856512 1095385931 /nfs/dbraw/zinc/38/59/31/1095385931.db2.gz BZVKOXJYFLPSBB-UHFFFAOYSA-N -2 0 330.387 2.667 20 0 EFADRL O=C([O-])c1c(F)cc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1F ZINC001601244222 1095574053 /nfs/dbraw/zinc/57/40/53/1095574053.db2.gz QSCYWPMIOSKQKQ-LLVKDONJSA-N -2 0 349.289 2.860 20 0 EFADRL O=C([O-])[C@H](CNC(=O)c1cc(F)cc(F)c1[O-])CC1CCCC1 ZINC001601459056 1095685264 /nfs/dbraw/zinc/68/52/64/1095685264.db2.gz MIYDEUNTKUKZFH-JTQLQIEISA-N -2 0 327.327 2.681 20 0 EFADRL O=C([O-])c1cc(Cl)cc(NC(=O)c2cc(F)cc(F)c2[O-])c1O ZINC001601588648 1095747854 /nfs/dbraw/zinc/74/78/54/1095747854.db2.gz VHMBZMADWLOIQG-UHFFFAOYSA-N -2 0 343.669 2.980 20 0 EFADRL O=C([O-])c1cccc2[nH]c(NC(=O)c3cc(O)ccc3Cl)nc21 ZINC001601632915 1095774653 /nfs/dbraw/zinc/77/46/53/1095774653.db2.gz NINPJAISDIRYRQ-UHFFFAOYSA-N -2 0 331.715 2.872 20 0 EFADRL O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)C1 ZINC001601804733 1095910425 /nfs/dbraw/zinc/91/04/25/1095910425.db2.gz SPMNABFILBBETQ-NEPJUHHUSA-N -2 0 329.356 2.612 20 0 EFADRL O=C([O-])[C@@H]1CCN(C(=O)Nc2cccc3ccccc32)[C@@H](C(=O)[O-])C1 ZINC001601824305 1095923204 /nfs/dbraw/zinc/92/32/04/1095923204.db2.gz ZPGALLSJVMXUTM-IUODEOHRSA-N -2 0 342.351 2.622 20 0 EFADRL O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2noc3ccccc32)cc1 ZINC001601884333 1095957811 /nfs/dbraw/zinc/95/78/11/1095957811.db2.gz KCGJBEDXQZVVOX-JXMROGBWSA-N -2 0 344.348 2.726 20 0 EFADRL O=C([O-])C[C@@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1cccs1 ZINC001601904343 1095969131 /nfs/dbraw/zinc/96/91/31/1095969131.db2.gz YVXLYERCBOGBCG-MRVPVSSYSA-N -2 0 345.298 2.817 20 0 EFADRL O=C([O-])CC1(NC(=O)c2ccc(C(F)(F)F)cc2O)CCCC1 ZINC001601932358 1095982593 /nfs/dbraw/zinc/98/25/93/1095982593.db2.gz WKRJMILOBFGUEI-UHFFFAOYSA-N -2 0 331.290 2.928 20 0 EFADRL O=C([O-])C[C@H]1CN(C(=O)c2s[n-]c(=O)c2Cl)c2ccccc21 ZINC001601960878 1095994558 /nfs/dbraw/zinc/99/45/58/1095994558.db2.gz DZNCDFHOGVKVLG-ZETCQYMHSA-N -2 0 338.772 2.721 20 0 EFADRL O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(C(=O)[O-])c1 ZINC001601972558 1095999629 /nfs/dbraw/zinc/99/96/29/1095999629.db2.gz WWQPNVMLDZVGGT-INIZCTEOSA-N -2 0 341.363 2.591 20 0 EFADRL O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC001601974924 1096000396 /nfs/dbraw/zinc/00/03/96/1096000396.db2.gz POFRTVGSWSLOAL-JTQLQIEISA-N -2 0 326.374 2.698 20 0 EFADRL O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1ccc(C(=O)[O-])cc1F ZINC001601974547 1096000718 /nfs/dbraw/zinc/00/07/18/1096000718.db2.gz HIBIPECUZJIQLA-NSHDSACASA-N -2 0 338.335 2.775 20 0 EFADRL O=C([O-])CCC1CCN(C(=O)Nc2ccc(F)cc2C(=O)[O-])CC1 ZINC001601977908 1096002101 /nfs/dbraw/zinc/00/21/01/1096002101.db2.gz GXBHWESAEORXRN-UHFFFAOYSA-N -2 0 338.335 2.633 20 0 EFADRL O=C([O-])CCCCCNC(=O)Nc1ccc(Cl)cc1C(=O)[O-] ZINC001601985226 1096008345 /nfs/dbraw/zinc/00/83/45/1096008345.db2.gz BIQYZJIBBNSDKK-UHFFFAOYSA-N -2 0 328.752 2.805 20 0 EFADRL O=C([O-])CCCO[N-]C(=O)COc1ccc(Oc2ccccc2)cc1 ZINC001601995029 1096011465 /nfs/dbraw/zinc/01/14/65/1096011465.db2.gz KKYPPTUXKKGVAC-UHFFFAOYSA-N -2 0 345.351 2.770 20 0 EFADRL O=C([O-])CCCOc1ccc(NC(=O)c2c(O)cccc2O)cc1 ZINC001601997624 1096013837 /nfs/dbraw/zinc/01/38/37/1096013837.db2.gz WDDCIFGUMVXKGV-UHFFFAOYSA-N -2 0 331.324 2.594 20 0 EFADRL O=C([O-])CCN(CC(=O)[O-])Cc1sc2ccccc2c1Cl ZINC001602004961 1096018024 /nfs/dbraw/zinc/01/80/24/1096018024.db2.gz QXUIPVRRRXNDKE-UHFFFAOYSA-N -2 0 327.789 2.916 20 0 EFADRL O=C([O-])COCCNC(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC001602080754 1096049987 /nfs/dbraw/zinc/04/99/87/1096049987.db2.gz LRNXLGMTCWTCJA-UHFFFAOYSA-N -2 0 349.770 2.544 20 0 EFADRL O=C([O-])N[C@@H]1C[C@H](Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)C12CCC2 ZINC001602169063 1096100385 /nfs/dbraw/zinc/10/03/85/1096100385.db2.gz AXHMWGQXWBQBHX-LJISPDSOSA-N -2 0 330.384 2.865 20 0 EFADRL O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC001602196570 1096113224 /nfs/dbraw/zinc/11/32/24/1096113224.db2.gz HMIKJXHOIAPKBW-SDBXPKJASA-N -2 0 337.734 2.836 20 0 EFADRL O=C([O-])c1cc(/C=C/c2nc(C(=O)[O-])c(Br)s2)c[nH]1 ZINC001602254789 1096141216 /nfs/dbraw/zinc/14/12/16/1096141216.db2.gz PHWRWBZOKDIOFC-OWOJBTEDSA-N -2 0 343.158 2.801 20 0 EFADRL O=C([O-])c1ccc(C([O-])=CS(=O)(=O)c2cccc3ccccc32)o1 ZINC001602316369 1096175987 /nfs/dbraw/zinc/17/59/87/1096175987.db2.gz SNKQLDMKWJYFRF-UHFFFAOYSA-N -2 0 344.344 2.788 20 0 EFADRL O=C([O-])c1ccc(OCCNC(=O)c2ccc(Cl)c([O-])c2)cc1 ZINC001602391261 1096220744 /nfs/dbraw/zinc/22/07/44/1096220744.db2.gz WKMBOCYZWWJWIP-UHFFFAOYSA-N -2 0 335.743 2.553 20 0 EFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2nc(C3CCC3)cs2)s1 ZINC001602402570 1096223025 /nfs/dbraw/zinc/22/30/25/1096223025.db2.gz NWLNWWDVRZPNNH-UHFFFAOYSA-N -2 0 344.439 2.971 20 0 EFADRL O=C([O-])c1ccc2c(c1)CCN(C(=O)c1ccc(Cl)c([O-])c1)C2 ZINC001602415911 1096232051 /nfs/dbraw/zinc/23/20/51/1096232051.db2.gz MILFZDFCIIYSDI-UHFFFAOYSA-N -2 0 331.755 2.942 20 0 EFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)n2)c1 ZINC001602452575 1096252523 /nfs/dbraw/zinc/25/25/23/1096252523.db2.gz KVBRDAJMWHUZJS-UHFFFAOYSA-N -2 0 347.179 2.887 20 0 EFADRL O=C([O-])c1ccoc1S(=O)(=O)[N-]c1ccc(C2CC2)cc1F ZINC001602488221 1096270084 /nfs/dbraw/zinc/27/00/84/1096270084.db2.gz LKZVNQHWCBOODA-UHFFFAOYSA-N -2 0 325.317 2.795 20 0 EFADRL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)(F)F)c1 ZINC001602557438 1096296592 /nfs/dbraw/zinc/29/65/92/1096296592.db2.gz WVCLQCRRAAWJJF-NSHDSACASA-N -2 0 349.286 2.560 20 0 EFADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccc(CC(F)(F)F)cc2)c1 ZINC001602557707 1096297418 /nfs/dbraw/zinc/29/74/18/1096297418.db2.gz BMZZJHAHBUKUHF-UHFFFAOYSA-N -2 0 349.286 2.883 20 0 EFADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCCC3)c1 ZINC001602559528 1096298046 /nfs/dbraw/zinc/29/80/46/1096298046.db2.gz PVSPRWIVCKDSPR-UHFFFAOYSA-N -2 0 349.364 2.688 20 0 EFADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)c1 ZINC001602559727 1096298652 /nfs/dbraw/zinc/29/86/52/1096298652.db2.gz ZWECBXGGMOUKTE-UHFFFAOYSA-N -2 0 335.259 2.797 20 0 EFADRL O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)c2cc(F)c([O-])c(F)c2)C1 ZINC001602622594 1096331143 /nfs/dbraw/zinc/33/11/43/1096331143.db2.gz BMTWXURDWWPDTK-GOSISDBHSA-N -2 0 347.317 2.539 20 0 EFADRL O=C([O-])c1csc(/C=C2\C(=O)Nc3cc(F)c(C(=O)[O-])cc32)c1 ZINC001602660822 1096341301 /nfs/dbraw/zinc/34/13/01/1096341301.db2.gz KCDLBMREGFCZFY-MBXJOHMKSA-N -2 0 333.296 2.776 20 0 EFADRL C[C@H](C(=O)[O-])c1cccc([N-]S(=O)(=O)c2ccnn2C2CCC2)c1 ZINC001603221096 1096476841 /nfs/dbraw/zinc/47/68/41/1096476841.db2.gz HOBIVLXYHOXXJY-NSHDSACASA-N -2 0 349.412 2.597 20 0 EFADRL CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])n1 ZINC001603545606 1096548805 /nfs/dbraw/zinc/54/88/05/1096548805.db2.gz CCIPGDKIYHFPDX-UHFFFAOYSA-N -2 0 334.397 2.878 20 0 EFADRL CC(C)[C@H](C(=O)[O-])C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC001603713448 1096598496 /nfs/dbraw/zinc/59/84/96/1096598496.db2.gz AVSAXEQDDJXADR-LBPRGKRZSA-N -2 0 335.381 2.573 20 0 EFADRL CC(C)C[C@](C)(CC(=O)[O-])C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001603768608 1096619761 /nfs/dbraw/zinc/61/97/61/1096619761.db2.gz RWZRZBNTTSMBFN-MRXNPFEDSA-N -2 0 325.336 2.990 20 0 EFADRL CC(C)c1nc(/C=C/c2ccccc2OCC(=O)[O-])ncc1C(=O)[O-] ZINC001604013566 1096698337 /nfs/dbraw/zinc/69/83/37/1096698337.db2.gz FNBWDGAPZRBPFM-BQYQJAHWSA-N -2 0 342.351 2.932 20 0 EFADRL CC(C)n1cc([N-]S(=O)(=O)c2c(Cl)cccc2C(=O)[O-])cn1 ZINC001604036516 1096706926 /nfs/dbraw/zinc/70/69/26/1096706926.db2.gz YXJAJCKVIFPSCY-UHFFFAOYSA-N -2 0 343.792 2.616 20 0 EFADRL C[C@@](CC(=O)Nc1ccsc1C(=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001604076660 1096722052 /nfs/dbraw/zinc/72/20/52/1096722052.db2.gz SDZDVBVZMZOANQ-INIZCTEOSA-N -2 0 333.365 2.817 20 0 EFADRL C[C@](CC(=O)[O-])([N-]C(=O)C(F)(F)C(F)F)c1cccc(F)c1 ZINC001604080666 1096724726 /nfs/dbraw/zinc/72/47/26/1096724726.db2.gz UHMDKRHOLNUOSJ-GFCCVEGCSA-N -2 0 325.233 2.532 20 0 EFADRL C[C@@H](CN(C)C(=O)Nc1cccc2cc(C(=O)[O-])sc21)C(=O)[O-] ZINC001604154221 1096755584 /nfs/dbraw/zinc/75/55/84/1096755584.db2.gz XLEJNMBBLMSNFY-QMMMGPOBSA-N -2 0 336.369 2.784 20 0 EFADRL C[C@H](NC(=O)c1cccc(Cl)c1[O-])c1ncc(C(=O)[O-])s1 ZINC001604314806 1096803695 /nfs/dbraw/zinc/80/36/95/1096803695.db2.gz NEASEHCZQLKVEW-LURJTMIESA-N -2 0 326.761 2.691 20 0 EFADRL C[C@@H](Oc1ccc(CNc2cccc(CC(=O)[O-])c2)cc1)C(=O)[O-] ZINC001604430994 1096851871 /nfs/dbraw/zinc/85/18/71/1096851871.db2.gz JEKXQEKSKCDIMQ-GFCCVEGCSA-N -2 0 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O=C([O-])CCCc1csc(NC(=O)c2cccc(C(=O)[O-])c2)n1 ZINC001608718903 1098000269 /nfs/dbraw/zinc/00/02/69/1098000269.db2.gz GKTFKVRPVXOVDP-UHFFFAOYSA-N -2 0 334.353 2.501 20 0 EFADRL O=C([O-])CCOc1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)cc1 ZINC001608731151 1098002742 /nfs/dbraw/zinc/00/27/42/1098002742.db2.gz AJVUPBRYQYOMEB-UHFFFAOYSA-N -2 0 337.278 2.776 20 0 EFADRL O=C([O-])CN(CCc1ccccc1)C(=O)c1ccc([O-])c(Cl)c1 ZINC001608746534 1098009028 /nfs/dbraw/zinc/00/90/28/1098009028.db2.gz YCQZQWBDMRKTSX-UHFFFAOYSA-N -2 0 333.771 2.815 20 0 EFADRL O=C([O-])[C@@H]1CN(C(=O)c2cccc(Cl)c2[O-])C[C@@H]1c1ccccc1 ZINC001608808139 1098029233 /nfs/dbraw/zinc/02/92/33/1098029233.db2.gz BFAIFKWLAPQGLB-ZIAGYGMSSA-N -2 0 345.782 2.986 20 0 EFADRL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cnoc2C2CC2)c1 ZINC001608846769 1098043219 /nfs/dbraw/zinc/04/32/19/1098043219.db2.gz UMUJLIIEOLHJFM-UHFFFAOYSA-N -2 0 342.760 2.704 20 0 EFADRL O=C([O-])c1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc(F)c1Cl ZINC001608853701 1098046283 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O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1cccc(C(F)(F)F)c1[O-])C2 ZINC001609029206 1098117283 /nfs/dbraw/zinc/11/72/83/1098117283.db2.gz OTXPAVFLEYVXKT-VFZGTOFNSA-N -2 0 343.301 2.738 20 0 EFADRL O=C([O-])c1ccc(Cl)cc1NC=C1C(=O)NC(=O)c2ccccc21 ZINC001609044217 1098120009 /nfs/dbraw/zinc/12/00/09/1098120009.db2.gz MWWXYVIQKMEXRQ-MDWZMJQESA-N -2 0 342.738 2.761 20 0 EFADRL CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001609628378 1098409142 /nfs/dbraw/zinc/40/91/42/1098409142.db2.gz SLCNKEPWZLRYAH-UHFFFAOYSA-N -2 0 333.365 2.697 20 0 EFADRL CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1C ZINC001609629324 1098409269 /nfs/dbraw/zinc/40/92/69/1098409269.db2.gz GGWZXDUVUACLBX-UHFFFAOYSA-N -2 0 339.394 2.758 20 0 EFADRL CC(C)(C)Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n[nH]1 ZINC001609657423 1098418806 /nfs/dbraw/zinc/41/88/06/1098418806.db2.gz PEGOKZDAHPCOMZ-UHFFFAOYSA-N -2 0 343.430 2.559 20 0 EFADRL CC(C)[C@@H](C(=O)[O-])C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001609683654 1098426080 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EFADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])c(F)c2)s1 ZINC001610064782 1098536368 /nfs/dbraw/zinc/53/63/68/1098536368.db2.gz DTBPCDPEIRZBGP-UHFFFAOYSA-N -2 0 343.401 2.878 20 0 EFADRL CCc1ccc(NC(=O)N2C[C@H](C)C[C@H](C(=O)[O-])C2)c(C(=O)[O-])c1 ZINC001610064246 1098536666 /nfs/dbraw/zinc/53/66/66/1098536666.db2.gz WEVUHQIAWUYFKZ-PWSUYJOCSA-N -2 0 334.372 2.522 20 0 EFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cncc2ccccc21 ZINC001610079023 1098541650 /nfs/dbraw/zinc/54/16/50/1098541650.db2.gz GKJROQRJURKFMM-UHFFFAOYSA-N -2 0 346.364 2.889 20 0 EFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1C ZINC001610077316 1098542133 /nfs/dbraw/zinc/54/21/33/1098542133.db2.gz MBVMFQQBIBLPNT-UHFFFAOYSA-N -2 0 345.323 2.928 20 0 EFADRL COC(=O)c1c[nH]c(S[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])n1 ZINC001610195181 1098565977 /nfs/dbraw/zinc/56/59/77/1098565977.db2.gz DOHKIWJVEROSRE-LLVKDONJSA-N -2 0 340.788 2.638 20 0 EFADRL COCCOc1cccc(-c2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1 ZINC001610264283 1098592282 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Cc1nc(C=Cc2cc(C(=O)[O-])ccc2Cl)[nH]c(=O)c1CC(=O)[O-] ZINC001610554750 1098749140 /nfs/dbraw/zinc/74/91/40/1098749140.db2.gz JIZFIJGATWSELM-HWKANZROSA-N -2 0 348.742 2.640 20 0 EFADRL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)c1ccc(Cl)nc1C ZINC001610556504 1098751098 /nfs/dbraw/zinc/75/10/98/1098751098.db2.gz JQYXGZNJNUDHND-UHFFFAOYSA-N -2 0 346.817 2.912 20 0 EFADRL Cc1c(C(=O)[O-])sc2nc(C)nc(N3C[C@H](C)C[C@H](C(=O)[O-])C3)c12 ZINC001610556929 1098751145 /nfs/dbraw/zinc/75/11/45/1098751145.db2.gz IYQPPPFENCFBMI-XCBNKYQSSA-N -2 0 349.412 2.553 20 0 EFADRL Cc1nc(Cl)ccc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001610556559 1098751519 /nfs/dbraw/zinc/75/15/19/1098751519.db2.gz MRLBTCGELGFDDS-UHFFFAOYSA-N -2 0 344.751 2.682 20 0 EFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2nc(C(C)(C)C)co2)c1C(=O)[O-] ZINC001610580946 1098765517 /nfs/dbraw/zinc/76/55/17/1098765517.db2.gz XJINNHWXSFAUFP-UHFFFAOYSA-N -2 0 342.373 2.681 20 0 EFADRL Cc1oc(CNC(=O)c2ccc3[n-]c(=S)oc3c2)cc1C(=O)[O-] ZINC001610584376 1098766978 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CCCCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000829356763 600941099 /nfs/dbraw/zinc/94/10/99/600941099.db2.gz KAAMZNNEFIEIIQ-JTQLQIEISA-N -2 0 347.458 2.858 20 0 EFADRL Cc1cccc([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC000832972879 600981393 /nfs/dbraw/zinc/98/13/93/600981393.db2.gz LARPWBXUQZPMOL-UHFFFAOYSA-N -2 0 326.761 2.542 20 0 EFADRL CC(C)c1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)s1 ZINC000827139032 600983826 /nfs/dbraw/zinc/98/38/26/600983826.db2.gz CPJNNYOTKALMMK-UHFFFAOYSA-N -2 0 344.389 2.905 20 0 EFADRL CCc1ccc(O)c([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000830253658 600984102 /nfs/dbraw/zinc/98/41/02/600984102.db2.gz KBSSMKGVCGALQL-UHFFFAOYSA-N -2 0 339.344 2.593 20 0 EFADRL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000831945963 601150484 /nfs/dbraw/zinc/15/04/84/601150484.db2.gz NMBNLZOZAINFFB-UHFFFAOYSA-N -2 0 349.336 2.534 20 0 EFADRL Cc1ccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)cc1C(=O)[O-] ZINC000832942772 601176647 /nfs/dbraw/zinc/17/66/47/601176647.db2.gz LHAQMCTXXBRCTC-OAHLLOKOSA-N -2 0 327.336 2.890 20 0 EFADRL O=C([O-])[C@H](OC(=O)c1c(F)cc([O-])cc1F)c1ccc(F)cc1 ZINC000833351451 601189541 /nfs/dbraw/zinc/18/95/41/601189541.db2.gz RCHZQLMEWNTGGE-CYBMUJFWSA-N -2 0 326.226 2.792 20 0 EFADRL O=C([O-])Nc1cccc(NC(=O)CSc2n[n-]c(=S)s2)c1 ZINC000833290137 601197616 /nfs/dbraw/zinc/19/76/16/601197616.db2.gz YGIBYDPVOFMGKZ-UHFFFAOYSA-N -2 0 342.427 2.648 20 0 EFADRL O=C([O-])CSCCNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000833262493 601210896 /nfs/dbraw/zinc/21/08/96/601210896.db2.gz RKLZYROJTNSPEN-UHFFFAOYSA-N -2 0 339.800 2.746 20 0 EFADRL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)cc1Cl ZINC000832413447 601231044 /nfs/dbraw/zinc/23/10/44/601231044.db2.gz XZYWUOKBYWSUBA-UHFFFAOYSA-N -2 0 345.760 2.749 20 0 EFADRL Cc1oc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)cc1C(=O)[O-] ZINC000833030126 601231744 /nfs/dbraw/zinc/23/17/44/601231744.db2.gz RSPZEXDJLDOGEX-UHFFFAOYSA-N -2 0 333.724 2.880 20 0 EFADRL Cc1oc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)cc1C(=O)[O-] ZINC000833029126 601232113 /nfs/dbraw/zinc/23/21/13/601232113.db2.gz BVQKXCCCRLJTAI-UHFFFAOYSA-N -2 0 346.364 2.878 20 0 EFADRL CC1CCC(CNS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000321675535 601232117 /nfs/dbraw/zinc/23/21/17/601232117.db2.gz VJPQULDPCJQBCB-UHFFFAOYSA-N -2 0 347.383 2.768 20 0 EFADRL CCc1ccc(O)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000751214802 601250777 /nfs/dbraw/zinc/25/07/77/601250777.db2.gz QPENSFGOWWJWTI-UHFFFAOYSA-N -2 0 339.344 2.593 20 0 EFADRL CCc1ccc(O)c([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c1 ZINC000830253590 601250898 /nfs/dbraw/zinc/25/08/98/601250898.db2.gz HMVQXUHIYMHTLZ-UHFFFAOYSA-N -2 0 335.381 2.762 20 0 EFADRL CC(C)c1nc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)c[nH]1 ZINC000827153796 601332804 /nfs/dbraw/zinc/33/28/04/601332804.db2.gz ZFAQZYNMILLXTO-UHFFFAOYSA-N -2 0 343.792 2.686 20 0 EFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(Cl)ccn1 ZINC000315061875 601347992 /nfs/dbraw/zinc/34/79/92/601347992.db2.gz GLWIMQWXABXMJB-UHFFFAOYSA-N -2 0 326.761 2.542 20 0 EFADRL Cc1nc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)sc1C ZINC000387052005 601358193 /nfs/dbraw/zinc/35/81/93/601358193.db2.gz QFROCLRWRCVJLR-YVMONPNESA-N -2 0 338.410 2.659 20 0 EFADRL CCc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)n1 ZINC000830299504 601359817 /nfs/dbraw/zinc/35/98/17/601359817.db2.gz RTJSXNSZCGMIEY-UHFFFAOYSA-N -2 0 340.426 2.821 20 0 EFADRL CC(C)c1cnc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)s1 ZINC000827139449 601361232 /nfs/dbraw/zinc/36/12/32/601361232.db2.gz KKFBDXUEBCSGTR-UHFFFAOYSA-N -2 0 344.389 2.905 20 0 EFADRL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000833344718 601383447 /nfs/dbraw/zinc/38/34/47/601383447.db2.gz GZBWXXCPWWXJNO-UHFFFAOYSA-N -2 0 348.714 2.512 20 0 EFADRL CCc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)nc1C(=O)[O-] ZINC000830282482 601383822 /nfs/dbraw/zinc/38/38/22/601383822.db2.gz YIPGFMIIETXMGW-UHFFFAOYSA-N -2 0 340.788 2.796 20 0 EFADRL Cc1oc(CN(C)C(=O)c2cc(F)c([O-])c(F)c2)cc1C(=O)[O-] ZINC000833025494 601386431 /nfs/dbraw/zinc/38/64/31/601386431.db2.gz KFKHGCMZCPYPNW-UHFFFAOYSA-N -2 0 325.267 2.542 20 0 EFADRL Cc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)s1 ZINC000832995481 601487479 /nfs/dbraw/zinc/48/74/79/601487479.db2.gz AYHFHGVCCSOEDK-UHFFFAOYSA-N -2 0 348.352 2.537 20 0 EFADRL Cc1oc(S(=O)(=O)[N-]c2cccc3ccncc32)cc1C(=O)[O-] ZINC000833029746 601492829 /nfs/dbraw/zinc/49/28/29/601492829.db2.gz LTAMHYPHGIWTBI-UHFFFAOYSA-N -2 0 332.337 2.635 20 0 EFADRL CSc1ccncc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000832790777 601577432 /nfs/dbraw/zinc/57/74/32/601577432.db2.gz SVFIOIQOPUGOTH-UHFFFAOYSA-N -2 0 342.398 2.512 20 0 EFADRL CSc1ccncc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000832790782 601577595 /nfs/dbraw/zinc/57/75/95/601577595.db2.gz TVUHFEHMUAMXRQ-UHFFFAOYSA-N -2 0 338.410 2.611 20 0 EFADRL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1csnc1C(=O)[O-] ZINC000832935951 601602829 /nfs/dbraw/zinc/60/28/29/601602829.db2.gz RSBBNHISLVNLHF-UHFFFAOYSA-N -2 0 332.790 2.604 20 0 EFADRL Cc1ccc(O)c([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1 ZINC000832953107 601616990 /nfs/dbraw/zinc/61/69/90/601616990.db2.gz MJICKSPKUFDJIB-UITAMQMPSA-N -2 0 333.365 2.599 20 0 EFADRL Cc1ccc(O)c([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)c1 ZINC000832953475 601617479 /nfs/dbraw/zinc/61/74/79/601617479.db2.gz SZXANXZQZNKXCL-UHFFFAOYSA-N -2 0 341.772 2.853 20 0 EFADRL O=C([O-])C[C@H]([N-]C(=O)C(F)(F)C(F)F)c1ccc(Cl)cc1 ZINC000833265001 601622800 /nfs/dbraw/zinc/62/28/00/601622800.db2.gz OADWOBWDJMNNMV-QMMMGPOBSA-N -2 0 327.661 2.872 20 0 EFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)nc2)cc(F)c1F ZINC000080308373 601767618 /nfs/dbraw/zinc/76/76/18/601767618.db2.gz JUBZKTSNJSUITD-UHFFFAOYSA-N -2 0 348.714 2.512 20 0 EFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c(C)n1 ZINC000317643420 601771081 /nfs/dbraw/zinc/77/10/81/601771081.db2.gz YEVKVTSEFPQTPW-UHFFFAOYSA-N -2 0 340.788 2.851 20 0 EFADRL Cc1ccc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)cc1 ZINC000316382906 601771847 /nfs/dbraw/zinc/77/18/47/601771847.db2.gz PACNWAFDFNRTHF-UHFFFAOYSA-N -2 0 340.426 2.660 20 0 EFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)c(Cl)cc1F ZINC000063876919 601829633 /nfs/dbraw/zinc/82/96/33/601829633.db2.gz NUGBBNRSLFIUPG-UHFFFAOYSA-N -2 0 329.736 2.978 20 0 EFADRL CCc1cccc(C)c1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000830265769 601830460 /nfs/dbraw/zinc/83/04/60/601830460.db2.gz ORVJOGILXNOXJV-UHFFFAOYSA-N -2 0 326.399 2.513 20 0 EFADRL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc2ccccc2n1 ZINC000833294516 601847594 /nfs/dbraw/zinc/84/75/94/601847594.db2.gz IKTUNNNIZSHQIJ-UHFFFAOYSA-N -2 0 346.339 2.873 20 0 EFADRL CCc1ccc(O)c([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000830253501 601862880 /nfs/dbraw/zinc/86/28/80/601862880.db2.gz BQYABQDRICDHTN-UHFFFAOYSA-N -2 0 339.344 2.593 20 0 EFADRL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccn2)c(Cl)cc1F ZINC000832903702 602101825 /nfs/dbraw/zinc/10/18/25/602101825.db2.gz ODPOPBAGZKEWSQ-UHFFFAOYSA-N -2 0 344.751 2.682 20 0 EFADRL CCC[C@H](C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n[nH]1 ZINC000829216416 602102576 /nfs/dbraw/zinc/10/25/76/602102576.db2.gz MQYIDHHSDDXCTP-QMMMGPOBSA-N -2 0 343.430 2.874 20 0 EFADRL COc1cc(C)c(S(=O)(=O)[N-]c2cc(C(=O)[O-])cs2)cc1C ZINC000831966865 602115942 /nfs/dbraw/zinc/11/59/42/602115942.db2.gz JUQKRPFGANMSOS-UHFFFAOYSA-N -2 0 341.410 2.873 20 0 EFADRL O=C([O-])c1csc([N-]S(=O)(=O)c2ccccc2OC(F)F)c1 ZINC000833344023 602117104 /nfs/dbraw/zinc/11/71/04/602117104.db2.gz XOAJITMGRZAXDC-UHFFFAOYSA-N -2 0 349.336 2.849 20 0 EFADRL CC(C)c1cccc(S(=O)(=O)[N-]c2csnc2C(=O)[O-])c1 ZINC000827134379 602154974 /nfs/dbraw/zinc/15/49/74/602154974.db2.gz VUUVCILUUZVNMC-UHFFFAOYSA-N -2 0 326.399 2.766 20 0 EFADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000383539870 602158447 /nfs/dbraw/zinc/15/84/47/602158447.db2.gz PITZRANZVFURAC-UHFFFAOYSA-N -2 0 332.790 2.604 20 0 EFADRL O=C([O-])c1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1F ZINC000833095982 602299437 /nfs/dbraw/zinc/29/94/37/602299437.db2.gz VKBFIYKROGFUEJ-ZDUSSCGKSA-N -2 0 331.299 2.721 20 0 EFADRL O=C([O-])CN(CCc1ccccc1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000833248732 604367134 /nfs/dbraw/zinc/36/71/34/604367134.db2.gz ZVFVDMGHVVMBHM-UHFFFAOYSA-N -2 0 342.351 2.546 20 0 EFADRL Cc1ccc(C)c(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)c1 ZINC000832925059 604625501 /nfs/dbraw/zinc/62/55/01/604625501.db2.gz DRFKREHJUNKROJ-UHFFFAOYSA-N -2 0 340.426 2.578 20 0 EFADRL Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)[O-])cs2)c(C)c1 ZINC000832956700 604625531 /nfs/dbraw/zinc/62/55/31/604625531.db2.gz UNDGFGQCRCVRLG-UHFFFAOYSA-N -2 0 340.426 2.578 20 0 EFADRL Cc1ccc(S(=O)(=O)[N-]c2cncc(C(=O)[O-])c2)cc1Cl ZINC000832956733 604890277 /nfs/dbraw/zinc/89/02/77/604890277.db2.gz YRUZQXSENPFJEC-UHFFFAOYSA-N -2 0 326.761 2.542 20 0 EFADRL CC(C)C[C@H](NC(=O)[O-])C(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000833481566 604912208 /nfs/dbraw/zinc/91/22/08/604912208.db2.gz VRRUXZUYYDZHIC-LBPRGKRZSA-N -2 0 348.321 2.936 20 0 EFADRL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000833128122 604996996 /nfs/dbraw/zinc/99/69/96/604996996.db2.gz YMYFGQWAFCZCTF-CYBMUJFWSA-N -2 0 337.734 2.610 20 0 EFADRL CCc1nc([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)sc1C ZINC000314613544 605010636 /nfs/dbraw/zinc/01/06/36/605010636.db2.gz FWKMFQDMYFIXBJ-UHFFFAOYSA-N -2 0 340.426 2.654 20 0 EFADRL CC(C)c1csc([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)n1 ZINC000314830035 605010809 /nfs/dbraw/zinc/01/08/09/605010809.db2.gz SQSVEGHCMVPVBH-UHFFFAOYSA-N -2 0 340.426 2.907 20 0 EFADRL CN(CC(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)C(=O)[O-] ZINC000833692098 605076302 /nfs/dbraw/zinc/07/63/02/605076302.db2.gz LHXZQRMEVHCABC-UHFFFAOYSA-N -2 0 327.551 2.901 20 0 EFADRL Cc1cc(Cl)ncc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000166001021 605162854 /nfs/dbraw/zinc/16/28/54/605162854.db2.gz LFJXQUUZUKBLPV-UHFFFAOYSA-N -2 0 344.751 2.682 20 0 EFADRL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])nc2)s1 ZINC000833449034 605166672 /nfs/dbraw/zinc/16/66/72/605166672.db2.gz FHHBPZRKNQNLTM-UHFFFAOYSA-N -2 0 340.426 2.940 20 0 EFADRL CC(C)(C)c1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)s1 ZINC000833449072 605182971 /nfs/dbraw/zinc/18/29/71/605182971.db2.gz GSIFFBVSODERQJ-UHFFFAOYSA-N -2 0 330.387 2.533 20 0 EFADRL Cc1c(C(=O)[O-])csc1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000833741230 605186162 /nfs/dbraw/zinc/18/61/62/605186162.db2.gz CUGYFJVMWKCAPY-UHFFFAOYSA-N -2 0 343.364 2.898 20 0 EFADRL Cc1sc([N-]S(=O)(=O)c2cccnc2Cl)c(C(=O)[O-])c1C ZINC000833758447 605303130 /nfs/dbraw/zinc/30/31/30/605303130.db2.gz YBWBRXUYFSBYRG-UHFFFAOYSA-N -2 0 346.817 2.912 20 0 EFADRL C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)c1ccccc1 ZINC000833410078 605781775 /nfs/dbraw/zinc/78/17/75/605781775.db2.gz ACDFEXBABPMNSO-YMTOWFKASA-N -2 0 335.306 2.862 20 0 EFADRL O=P([O-])([O-])OCCNc1cccc(-c2ccccc2Cl)n1 ZINC001168589583 1258208670 /nfs/dbraw/zinc/20/86/70/1258208670.db2.gz KCWSHVKLLZVTQB-UHFFFAOYSA-N -2 0 328.692 2.923 20 0 EFADRL O=P([O-])([O-])OCCNc1nccc2cccc(Br)c21 ZINC001168592161 1258272325 /nfs/dbraw/zinc/27/23/25/1258272325.db2.gz KYTAMWLHMXZOJH-UHFFFAOYSA-N -2 0 347.105 2.519 20 0 EFADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2cccc(F)c2F)cc1F ZINC000742231942 1269946341 /nfs/dbraw/zinc/94/63/41/1269946341.db2.gz IWNSWGGKOWYBDG-UHFFFAOYSA-N -2 0 349.261 2.742 20 0 EFADRL COc1ccc(Nc2ccc(C(=O)[O-])c(F)c2)c(S(=O)(=O)[O-])c1 ZINC001175160291 1287331939 /nfs/dbraw/zinc/33/19/39/1287331939.db2.gz NUUDRFOBOOJRQX-UHFFFAOYSA-N -2 0 341.316 2.523 20 0 EFADRL Cc1nc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)s1 ZINC000793405733 1279640709 /nfs/dbraw/zinc/64/07/09/1279640709.db2.gz PYSREIGTZYLGGT-UHFFFAOYSA-N -2 0 344.389 2.706 20 0 EFADRL O=C([O-])c1cc(Nc2cnc(OCC3CCC3)nc2)cc(C(=O)[O-])c1 ZINC001176237584 1287910135 /nfs/dbraw/zinc/91/01/35/1287910135.db2.gz JXOLVGJBYDALHX-UHFFFAOYSA-N -2 0 343.339 2.796 20 0 EFADRL O=C([O-])c1cc(Nc2cccc(Br)n2)cc(C(=O)[O-])c1 ZINC001176237598 1287910512 /nfs/dbraw/zinc/91/05/12/1287910512.db2.gz XLSNFAVOHCBGET-UHFFFAOYSA-N -2 0 337.129 2.984 20 0 EFADRL O=C([O-])c1cc(Nc2cncc(N3CCCC3)c2)cc(C(=O)[O-])c1 ZINC001176238169 1287910636 /nfs/dbraw/zinc/91/06/36/1287910636.db2.gz OAWZEUQYPSFBMI-UHFFFAOYSA-N -2 0 327.340 2.822 20 0 EFADRL O=C([O-])c1cc(Nc2cnc3ccc(Cl)nn23)cc(C(=O)[O-])c1 ZINC001176240454 1287911067 /nfs/dbraw/zinc/91/10/67/1287911067.db2.gz XJTNHMPXLOQOAH-UHFFFAOYSA-N -2 0 332.703 2.523 20 0 EFADRL COC(=O)c1c(C)scc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238507 1287911091 /nfs/dbraw/zinc/91/10/91/1287911091.db2.gz HLCHKLRGYFCRIW-UHFFFAOYSA-N -2 0 335.337 2.983 20 0 EFADRL O=C([O-])c1cc(Nc2cncc(C(F)(F)F)n2)cc(C(=O)[O-])c1 ZINC001176239817 1287911280 /nfs/dbraw/zinc/91/12/80/1287911280.db2.gz SCPPAAGFTCGURY-UHFFFAOYSA-N -2 0 327.218 2.635 20 0 EFADRL COc1nc(C)nc(Cl)c1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176238891 1287911345 /nfs/dbraw/zinc/91/13/45/1287911345.db2.gz KXDYCNWYWOQMFM-UHFFFAOYSA-N -2 0 337.719 2.587 20 0 EFADRL COC(=O)Cc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1 ZINC001176241747 1287912142 /nfs/dbraw/zinc/91/21/42/1287912142.db2.gz VGGPXLOVKSYXLV-UHFFFAOYSA-N -2 0 329.308 2.542 20 0 EFADRL O=C([O-])c1cc(Nc2ccc(-c3nnco3)cc2)cc(C(=O)[O-])c1 ZINC001176241593 1287912144 /nfs/dbraw/zinc/91/21/44/1287912144.db2.gz NAPLZAFAAFNTGK-UHFFFAOYSA-N -2 0 325.280 2.877 20 0 EFADRL COC(=O)c1cc(F)ccc1Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001176241978 1287912174 /nfs/dbraw/zinc/91/21/74/1287912174.db2.gz HZDKCCDHWJJUDV-UHFFFAOYSA-N -2 0 333.271 2.752 20 0 EFADRL COC(=O)c1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1OC ZINC001176242085 1287912837 /nfs/dbraw/zinc/91/28/37/1287912837.db2.gz MZKPPXMZIMCKMP-UHFFFAOYSA-N -2 0 345.307 2.622 20 0 EFADRL COCCOc1ccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1F ZINC001176244359 1287912844 /nfs/dbraw/zinc/91/28/44/1287912844.db2.gz JYQRLRZAHMBXBB-UHFFFAOYSA-N -2 0 349.314 2.991 20 0 EFADRL COC(=O)Cc1cc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)ccc1C ZINC001176244452 1287912958 /nfs/dbraw/zinc/91/29/58/1287912958.db2.gz USAKGZCKLRALAA-UHFFFAOYSA-N -2 0 343.335 2.851 20 0 EFADRL COC(=O)Cc1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176242089 1287913223 /nfs/dbraw/zinc/91/32/23/1287913223.db2.gz NBOBJIPBSRZJKD-UHFFFAOYSA-N -2 0 329.308 2.542 20 0 EFADRL CCOC(=O)Cc1cccc(Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001176245144 1287913352 /nfs/dbraw/zinc/91/33/52/1287913352.db2.gz VCDUYJWWJSDXIZ-UHFFFAOYSA-N -2 0 343.335 2.932 20 0 EFADRL O=C([O-])c1cc(Nc2cccc3c2OCC[C@@H]3O)cc(C(=O)[O-])c1 ZINC001176243776 1287913389 /nfs/dbraw/zinc/91/33/89/1287913389.db2.gz DBCSRRXYZURWMA-AWEZNQCLSA-N -2 0 329.308 2.643 20 0 EFADRL O=C([O-])c1cc(Nc2cccc(C3OCCO3)c2)cc(C(=O)[O-])c1 ZINC001176242074 1287913500 /nfs/dbraw/zinc/91/35/00/1287913500.db2.gz MJINAPOYWYJPKY-UHFFFAOYSA-N -2 0 329.308 2.872 20 0 EFADRL CC(C)(CCC(=O)[O-])NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC000874963552 1290431548 /nfs/dbraw/zinc/43/15/48/1290431548.db2.gz CTRBWIASSGFFJB-UHFFFAOYSA-N -2 0 345.351 2.838 20 0 EFADRL CC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC001184668386 1290493363 /nfs/dbraw/zinc/49/33/63/1290493363.db2.gz SKBJKFKESLNTGK-UHFFFAOYSA-N -2 0 339.394 2.758 20 0 EFADRL C[C@@H]1CCCC[C@@H]1CNC(=O)c1ccccc1OP(=O)([O-])[O-] ZINC001189899736 1291930280 /nfs/dbraw/zinc/93/02/80/1291930280.db2.gz GUHHOGJTOBUKFR-VXGBXAGGSA-N -2 0 327.317 2.714 20 0 EFADRL Cc1cnc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(C)c1 ZINC001192109795 1292776773 /nfs/dbraw/zinc/77/67/73/1292776773.db2.gz LUYFMRORCROQAM-UHFFFAOYSA-N -2 0 334.397 2.516 20 0 EFADRL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2cncc(C3CC3)c2)cc1 ZINC001192113157 1292778047 /nfs/dbraw/zinc/77/80/47/1292778047.db2.gz JVFPALGKGREUPX-UHFFFAOYSA-N -2 0 346.408 2.777 20 0 EFADRL CCc1nccc(C)c1[N-]S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC001192116766 1292782457 /nfs/dbraw/zinc/78/24/57/1292782457.db2.gz YNVRBGDEXLBXNU-UHFFFAOYSA-N -2 0 348.424 2.770 20 0 EFADRL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc3ccoc32)cc1 ZINC001192729078 1293001368 /nfs/dbraw/zinc/00/13/68/1293001368.db2.gz NEEHDZKLHMHVJG-UHFFFAOYSA-N -2 0 347.348 2.697 20 0 EFADRL COc1cc([N-]S(=O)(=O)c2cnccc2Cl)ccc1[S-] ZINC001192900344 1293094099 /nfs/dbraw/zinc/09/40/99/1293094099.db2.gz ICDYOKYGDWTXQC-UHFFFAOYSA-N -2 0 330.818 2.833 20 0 EFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc(Cl)c2)c(F)cc1F ZINC001195195391 1293844480 /nfs/dbraw/zinc/84/44/80/1293844480.db2.gz XNEZEXHWWBMIKX-UHFFFAOYSA-N -2 0 348.714 2.512 20 0 EFADRL CCOC([O-])=NC(=S)N=c1s[n-]nc1-c1ccc(OC)cc1 ZINC001195458040 1293926038 /nfs/dbraw/zinc/92/60/38/1293926038.db2.gz IGFFHNQSKPOYBW-UHFFFAOYSA-N -2 0 338.414 2.657 20 0 EFADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3ccno3)cc2)c1 ZINC001196068692 1294122316 /nfs/dbraw/zinc/12/23/16/1294122316.db2.gz YQGFEIHWMNDKCL-UHFFFAOYSA-N -2 0 344.348 2.841 20 0 EFADRL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cccc(Cl)c1[O-] ZINC000775690643 1294162360 /nfs/dbraw/zinc/16/23/60/1294162360.db2.gz QZVLISOTIZWKLW-UHFFFAOYSA-N -2 0 331.715 2.641 20 0 EFADRL CCOC(=O)[C@H]1CC[C@H](Oc2ccc(OP(=O)([O-])[O-])cc2)CC1 ZINC001234332750 1313105754 /nfs/dbraw/zinc/10/57/54/1313105754.db2.gz RJMPTTGRVYGIJE-HAQNSBGRSA-N -2 0 344.300 2.659 20 0 EFADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ncccc1C(F)(F)F ZINC001198739408 1295213430 /nfs/dbraw/zinc/21/34/30/1295213430.db2.gz QYVKSVUDAYEAIF-UHFFFAOYSA-N -2 0 346.286 2.599 20 0 EFADRL CCOc1ccc(F)cc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198779476 1295249705 /nfs/dbraw/zinc/24/97/05/1295249705.db2.gz QITYGSGBPNBZDG-UHFFFAOYSA-N -2 0 339.344 2.723 20 0 EFADRL O=C([O-])c1nnc(-c2c(F)cc(F)c([O-])c2F)cc1C(F)(F)F ZINC001235993950 1313428347 /nfs/dbraw/zinc/42/83/47/1313428347.db2.gz HUZPEISIXNQPSZ-UHFFFAOYSA-N -2 0 338.163 2.984 20 0 EFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)ccc1F ZINC000160137977 1297784928 /nfs/dbraw/zinc/78/49/28/1297784928.db2.gz MAWRECCHWBHHFW-UHFFFAOYSA-N -2 0 345.298 2.911 20 0 EFADRL CCOC([O-])=NC(=S)N=c1[nH]cccc1-c1ccc(C(=O)[O-])cc1 ZINC001236062397 1313435787 /nfs/dbraw/zinc/43/57/87/1313435787.db2.gz LWGORMRKTIYWBQ-UHFFFAOYSA-N -2 0 345.380 2.890 20 0 EFADRL CN(C)C(=O)c1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1Cl ZINC001239008264 1313892764 /nfs/dbraw/zinc/89/27/64/1313892764.db2.gz NOIGYWDABBLOJG-UHFFFAOYSA-N -2 0 339.715 2.512 20 0 EFADRL CC(C)Oc1ncc(Cl)cc1-c1ccc(P(=O)([O-])[O-])cc1 ZINC001239326563 1313925756 /nfs/dbraw/zinc/92/57/56/1313925756.db2.gz VLJPXXPKOFBGER-UHFFFAOYSA-N -2 0 327.704 2.992 20 0 EFADRL O=P([O-])([O-])c1ccc(-c2cnc(Cl)n2[C@@H]2CCCCO2)cc1 ZINC001240552616 1314047110 /nfs/dbraw/zinc/04/71/10/1314047110.db2.gz WQGWDVOVCPRCNE-ZDUSSCGKSA-N -2 0 342.719 2.706 20 0 EFADRL CCOC([O-])=NC(=S)N=c1[nH]cccc1-c1cccc(C(=O)[O-])c1 ZINC001241362076 1314113149 /nfs/dbraw/zinc/11/31/49/1314113149.db2.gz MJFJAXYLCAHITE-UHFFFAOYSA-N -2 0 345.380 2.890 20 0 EFADRL CCS(=O)(=O)c1cccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001241462069 1314122297 /nfs/dbraw/zinc/12/22/97/1314122297.db2.gz WMFIRUHRHUADIX-UHFFFAOYSA-N -2 0 334.349 2.544 20 0 EFADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cccc(CN2CCOCC2)c1 ZINC001241816084 1314153110 /nfs/dbraw/zinc/15/31/10/1314153110.db2.gz BHPLRPIOPYEYDF-UHFFFAOYSA-N -2 0 341.363 2.582 20 0 EFADRL CN(C)C(=O)c1cc(-c2ccc(P(=O)([O-])[O-])cc2)ccc1Cl ZINC001242086809 1314178959 /nfs/dbraw/zinc/17/89/59/1314178959.db2.gz YPBTYFSPUSUXSQ-UHFFFAOYSA-N -2 0 339.715 2.512 20 0 EFADRL Cc1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc(-c2ccncc2)n1 ZINC001242160087 1314186211 /nfs/dbraw/zinc/18/62/11/1314186211.db2.gz BZROLLIVVNNDKG-UHFFFAOYSA-N -2 0 335.319 2.910 20 0 EFADRL CSc1nc2ncnc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2s1 ZINC001242159200 1314186273 /nfs/dbraw/zinc/18/62/73/1314186273.db2.gz JGPAPLWIFLLLLJ-UHFFFAOYSA-N -2 0 347.377 2.872 20 0 EFADRL Cc1cc(C(F)(F)F)nc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242159229 1314186448 /nfs/dbraw/zinc/18/64/48/1314186448.db2.gz DLWJNUCXWDEUTR-UHFFFAOYSA-N -2 0 326.230 2.867 20 0 EFADRL CC(C)S(=O)(=O)c1cccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242161661 1314186733 /nfs/dbraw/zinc/18/67/33/1314186733.db2.gz GSKZCIAJOKVFNI-UHFFFAOYSA-N -2 0 348.376 2.932 20 0 EFADRL CC(C)c1nnc2ccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)cn21 ZINC001242162731 1314186818 /nfs/dbraw/zinc/18/68/18/1314186818.db2.gz KJYOKZPBRSHFIA-UHFFFAOYSA-N -2 0 325.324 2.916 20 0 EFADRL CC(C)(C)NC(=O)c1cncc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1 ZINC001242163893 1314187150 /nfs/dbraw/zinc/18/71/50/1314187150.db2.gz QIRBCNOCEPHKTN-UHFFFAOYSA-N -2 0 342.351 2.673 20 0 EFADRL COc1cc(-n2ccnc2)ccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242163670 1314187201 /nfs/dbraw/zinc/18/72/01/1314187201.db2.gz FVRJSQSNGFREIH-UHFFFAOYSA-N -2 0 338.319 2.944 20 0 EFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccnc(OC3CCOCC3)c2)c1 ZINC001242163962 1314187342 /nfs/dbraw/zinc/18/73/42/1314187342.db2.gz UUPQDIUGHLPTKK-UHFFFAOYSA-N -2 0 343.335 2.703 20 0 EFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc3c(c2)SCC(=O)N3)c1 ZINC001242163255 1314187412 /nfs/dbraw/zinc/18/74/12/1314187412.db2.gz RGVPKIYBQMHGLR-UHFFFAOYSA-N -2 0 329.333 2.794 20 0 EFADRL CC1(C)C(=O)NCc2cccc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c21 ZINC001242164022 1314187442 /nfs/dbraw/zinc/18/74/42/1314187442.db2.gz XPUDAPYDQSRWIM-UHFFFAOYSA-N -2 0 339.347 2.657 20 0 EFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc3c2CCC32OCCO2)c1 ZINC001242164717 1314187637 /nfs/dbraw/zinc/18/76/37/1314187637.db2.gz PPNFPOGVRALOPF-UHFFFAOYSA-N -2 0 340.331 2.896 20 0 EFADRL CN(C)C(=O)Nc1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cc1 ZINC001242637826 1314221347 /nfs/dbraw/zinc/22/13/47/1314221347.db2.gz YBTKKOITSQEISO-UHFFFAOYSA-N -2 0 328.324 2.844 20 0 EFADRL O=C1[N-]S(=O)(=O)c2ccc(-c3cc(Cl)c([O-])c(Cl)c3)cc21 ZINC001242852703 1314239144 /nfs/dbraw/zinc/23/91/44/1314239144.db2.gz XFCPZCFGBWSGNH-UHFFFAOYSA-N -2 0 344.175 2.798 20 0 EFADRL CCOC([O-])=NC(=S)N=c1[nH]cccc1-c1ccccc1C(=O)[O-] ZINC001242880538 1314241379 /nfs/dbraw/zinc/24/13/79/1314241379.db2.gz PBXPRZMWCHRRMI-UHFFFAOYSA-N -2 0 345.380 2.890 20 0 EFADRL O=P([O-])([O-])c1ccc(-c2cc(O)cc(OC(F)(F)F)c2)cc1 ZINC001242989439 1314251008 /nfs/dbraw/zinc/25/10/08/1314251008.db2.gz PTVJAJNQGZJNJO-UHFFFAOYSA-N -2 0 334.186 2.761 20 0 EFADRL CCOC(=O)COc1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])cc1 ZINC001243135691 1314263748 /nfs/dbraw/zinc/26/37/48/1314263748.db2.gz IWZHTRCWNFQSLA-UHFFFAOYSA-N -2 0 344.319 2.692 20 0 EFADRL O=C([O-])c1ccc(-c2ccc(P(=O)([O-])[O-])cc2)cc1C(F)(F)F ZINC001243162288 1314266717 /nfs/dbraw/zinc/26/67/17/1314266717.db2.gz YEWJXWJEJBUTRZ-UHFFFAOYSA-N -3 0 346.197 2.874 20 0 EFADRL Cc1cc(C(=O)[O-])cc(-c2cc(C(F)(F)F)c(C(=O)[O-])nn2)c1 ZINC001243178438 1314267826 /nfs/dbraw/zinc/26/78/26/1314267826.db2.gz HXVYNPPDHCDCEL-UHFFFAOYSA-N -2 0 326.230 2.867 20 0 EFADRL CNC(=O)c1ccc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c(Cl)c1 ZINC001243447940 1314286335 /nfs/dbraw/zinc/28/63/35/1314286335.db2.gz QUCSQRSLDLELDV-UHFFFAOYSA-N -2 0 333.727 2.763 20 0 EFADRL COC(=O)c1cc(Cl)cc(-c2ccc(P(=O)([O-])[O-])cc2)c1 ZINC001244084690 1314350970 /nfs/dbraw/zinc/35/09/70/1314350970.db2.gz DEGZALMJSDOERQ-UHFFFAOYSA-N -2 0 326.672 2.597 20 0 EFADRL O=C(c1ccc(O)cc1[O-])c1ccc(O)cc1O[C@H]1CCCCC1=O ZINC001228122482 1311902608 /nfs/dbraw/zinc/90/26/08/1311902608.db2.gz NHECTBJWNZSHHD-KRWDZBQOSA-N -2 0 342.347 2.925 20 0 EFADRL C[C@H]1COCC[C@H]1Oc1cc(O)ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228121276 1311902656 /nfs/dbraw/zinc/90/26/56/1311902656.db2.gz BKDKYAZYDIPTJT-APPDUMDISA-N -2 0 344.363 2.838 20 0 EFADRL O=P([O-])([O-])c1ccc(NCc2cccc(OC(F)F)c2)cc1 ZINC001161991150 1312023320 /nfs/dbraw/zinc/02/33/20/1312023320.db2.gz RVYLCUASKLNUKO-UHFFFAOYSA-N -2 0 329.239 2.703 20 0 EFADRL COC(=O)c1cc(OC)cc(-c2c(C(=O)[O-])cccc2C(=O)[O-])c1 ZINC001245354718 1314476424 /nfs/dbraw/zinc/47/64/24/1314476424.db2.gz IWBRULATIGRJPB-UHFFFAOYSA-N -2 0 330.292 2.545 20 0 EFADRL O=C([O-])c1cccc(C(=O)[O-])c1-c1cc(F)cc(N2CCOCC2)c1 ZINC001211347746 1314481789 /nfs/dbraw/zinc/48/17/89/1314481789.db2.gz UNXQBUWWFPKCFP-UHFFFAOYSA-N -2 0 345.326 2.726 20 0 EFADRL O=C([O-])c1cc(Nc2cc(S(=O)(=O)[O-])ccc2Cl)cnc1F ZINC001215115717 1314783333 /nfs/dbraw/zinc/78/33/33/1314783333.db2.gz FTDUGGQSFUDPGG-UHFFFAOYSA-N -2 0 346.723 2.563 20 0 EFADRL 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O=C([O-])c1cccc(S(=O)(=O)[N-]c2nc3ccccc3s2)c1 ZINC000085344836 957902542 /nfs/dbraw/zinc/90/25/42/957902542.db2.gz NCTCAKKHRPBFAN-UHFFFAOYSA-N -2 0 334.378 2.795 20 0 EFADRL O=C([O-])[C@@H]1C[C@@H](NC(=O)c2c([O-])cc(F)cc2F)c2ccccc21 ZINC001605743576 972387992 /nfs/dbraw/zinc/38/79/92/972387992.db2.gz LJDRYOJYBLLHBV-DGCLKSJQSA-N -2 0 333.290 2.713 20 0 EFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnc3ccccc3c2)cc1F ZINC000392181229 972422742 /nfs/dbraw/zinc/42/27/42/972422742.db2.gz BOOQTCXNSUGSNO-UHFFFAOYSA-N -2 0 346.339 2.873 20 0 EFADRL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(Cl)n1 ZINC000184047865 959460348 /nfs/dbraw/zinc/46/03/48/959460348.db2.gz VCCSFYRTGFACMR-UHFFFAOYSA-N -2 0 326.761 2.542 20 0 EFADRL COc1ccccc1[N-]S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC000226463636 959879224 /nfs/dbraw/zinc/87/92/24/959879224.db2.gz MQKNMYZECUWEFE-UHFFFAOYSA-N -2 0 327.383 2.564 20 0 EFADRL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)ccc1Cl ZINC000227941913 959977143 /nfs/dbraw/zinc/97/71/43/959977143.db2.gz NXJCCJOOOIUPDQ-UHFFFAOYSA-N -2 0 347.801 2.909 20 0 EFADRL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2ocnc21 ZINC001185905920 960533089 /nfs/dbraw/zinc/53/30/89/960533089.db2.gz CZSVREBEQUXHJR-UHFFFAOYSA-N -2 0 332.337 2.635 20 0 EFADRL CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)C(F)(F)F ZINC001188336067 960555772 /nfs/dbraw/zinc/55/57/72/960555772.db2.gz SIUZZUHFSNBBKO-SECBINFHSA-N -2 0 345.726 2.657 20 0 EFADRL O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1c([O-])cc(F)cc1F ZINC001571174450 962089970 /nfs/dbraw/zinc/08/99/70/962089970.db2.gz WKOOBAIEODHGSC-GFCCVEGCSA-N -2 0 327.327 2.824 20 0 EFADRL C[C@H]1CCCC[C@@]1(C)NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000308419515 963272769 /nfs/dbraw/zinc/27/27/69/963272769.db2.gz MBALVGJWQNBBCY-BJOHPYRUSA-N -2 0 347.383 2.910 20 0 EFADRL C[C@]([N-]C(=O)C(F)(F)F)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000309792748 963373279 /nfs/dbraw/zinc/37/32/79/963373279.db2.gz QUTDHIHWIKKACT-SNVBAGLBSA-N -2 0 330.089 2.972 20 0 EFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2cc(F)cc(F)c2)c1C(=O)[O-] ZINC000314085251 963709396 /nfs/dbraw/zinc/70/93/96/963709396.db2.gz GFKYCVKMXBNRMG-UHFFFAOYSA-N -2 0 331.296 2.674 20 0 EFADRL CCc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)s1 ZINC000315929365 963954441 /nfs/dbraw/zinc/95/44/41/963954441.db2.gz XDWMXEDYMSQVQU-UHFFFAOYSA-N -2 0 341.410 2.575 20 0 EFADRL CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(F)c(F)c([O-])c2F)C1 ZINC000320701254 968007992 /nfs/dbraw/zinc/00/79/92/968007992.db2.gz IKPFDEJJIXAMNB-OAHLLOKOSA-N -2 0 331.290 2.527 20 0 EFADRL Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000318635281 970455958 /nfs/dbraw/zinc/45/59/58/970455958.db2.gz CWSBRRDQAGBLPE-UHFFFAOYSA-N -2 0 340.788 2.851 20 0 EFADRL N#Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000318643811 970457506 /nfs/dbraw/zinc/45/75/06/970457506.db2.gz DVUQUEYUGJWILW-UHFFFAOYSA-N -2 0 336.756 2.711 20 0 EFADRL Cc1cc(Cl)cnc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000320084613 970611601 /nfs/dbraw/zinc/61/16/01/970611601.db2.gz ZUXDNDIMNQDMJB-UHFFFAOYSA-N -2 0 340.788 2.851 20 0 EFADRL O=C([O-])c1ccc(CS(=O)(=O)[N-]c2nc3ccccc3s2)cc1 ZINC000320246325 970636902 /nfs/dbraw/zinc/63/69/02/970636902.db2.gz ZJWIRVHTJNRAOD-UHFFFAOYSA-N -2 0 348.405 2.936 20 0 EFADRL O=C([O-])c1cc(S(=O)(=O)[N-]c2cncc3ccccc32)ccc1F ZINC000396538563 972914886 /nfs/dbraw/zinc/91/48/86/972914886.db2.gz YRVOUKJQZSNQRQ-UHFFFAOYSA-N -2 0 346.339 2.873 20 0 EFADRL CC(C)c1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cn1 ZINC001591974370 976588298 /nfs/dbraw/zinc/58/82/98/976588298.db2.gz SMFWJBCZPINMCG-UHFFFAOYSA-N -2 0 326.399 2.766 20 0 EFADRL C[C@H](CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)CC(C)(C)C ZINC001592259322 977498426 /nfs/dbraw/zinc/49/84/26/977498426.db2.gz NMCYCZSICIVAKI-SECBINFHSA-N -2 0 347.458 2.714 20 0 EFADRL C[C@@H](CCC(C)(C)C)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001592477638 978245552 /nfs/dbraw/zinc/24/55/52/978245552.db2.gz LZSKGIHWIUURSM-VIFPVBQESA-N -2 0 347.458 2.714 20 0 EFADRL CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000780418651 978790280 /nfs/dbraw/zinc/79/02/80/978790280.db2.gz TZFNXJLSJPPXAN-UHFFFAOYSA-N -2 0 339.394 2.758 20 0 EFADRL CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)o1 ZINC001595041464 979224843 /nfs/dbraw/zinc/22/48/43/979224843.db2.gz ACVUXZKSVDHIAZ-YFKPBYRVSA-N -2 0 349.714 2.641 20 0 EFADRL CCC(CC)(CC(=O)[O-])NC(=O)c1cccc(Br)c1[O-] ZINC001595053155 979284352 /nfs/dbraw/zinc/28/43/52/979284352.db2.gz BRVANQYMOJREEI-UHFFFAOYSA-N -2 0 344.205 2.918 20 0 EFADRL C[C@H](Cc1ccc(NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)cc1)C(=O)[O-] ZINC001592861513 979698844 /nfs/dbraw/zinc/69/88/44/979698844.db2.gz SNSNLMKFJOAAHL-OCCSQVGLSA-N -2 0 348.399 2.668 20 0 EFADRL C[C@H](Cc1ccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1)C(=O)[O-] ZINC001592861514 979699215 /nfs/dbraw/zinc/69/92/15/979699215.db2.gz SNSNLMKFJOAAHL-TZMCWYRMSA-N -2 0 348.399 2.668 20 0 EFADRL CC[C@](CNC(=O)c1cccc(F)c1[O-])(C(=O)[O-])c1ccccc1 ZINC001595164503 979707412 /nfs/dbraw/zinc/70/74/12/979707412.db2.gz WRCFGWMBXHPIAW-GOSISDBHSA-N -2 0 331.343 2.694 20 0 EFADRL C[C@@H](Cc1ccc(NC(=O)NCCC(C)(C)C(=O)[O-])cc1)C(=O)[O-] ZINC001592872659 979730990 /nfs/dbraw/zinc/73/09/90/979730990.db2.gz NJZJXZMVSKQGTO-NSHDSACASA-N -2 0 336.388 2.572 20 0 EFADRL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ncsc1C1CC1 ZINC000882771772 980204418 /nfs/dbraw/zinc/20/44/18/980204418.db2.gz SAGMAULJGLVNOJ-UHFFFAOYSA-N -2 0 338.410 2.828 20 0 EFADRL CC[C@@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(C(=O)[O-])c1 ZINC001595363945 980788455 /nfs/dbraw/zinc/78/84/55/980788455.db2.gz MTAZNBYDPLJHOB-HNNXBMFYSA-N -2 0 347.392 2.596 20 0 EFADRL CC[C@H](c1ccccc1)S(=O)(=O)[N-]C(=O)c1cccc(C(=O)[O-])c1 ZINC001595363946 980788477 /nfs/dbraw/zinc/78/84/77/980788477.db2.gz MTAZNBYDPLJHOB-OAHLLOKOSA-N -2 0 347.392 2.596 20 0 EFADRL CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2ccc(C(=O)[O-])cc2F)C1 ZINC001595367960 980821244 /nfs/dbraw/zinc/82/12/44/980821244.db2.gz NDKCGHPLGPGLAS-INIZCTEOSA-N -2 0 338.335 2.633 20 0 EFADRL CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-] ZINC001594821514 981971697 /nfs/dbraw/zinc/97/16/97/981971697.db2.gz FBJJKKWLMGATME-SFHVURJKSA-N -2 0 345.351 2.838 20 0 EFADRL CCCCC[C@@H](C)CC(=O)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001595666252 982098748 /nfs/dbraw/zinc/09/87/48/982098748.db2.gz GVTYVCOVSNXPMT-VUULHSHRSA-N -2 0 339.432 2.617 20 0 EFADRL CCCCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595666785 982106850 /nfs/dbraw/zinc/10/68/50/982106850.db2.gz RTXXOGXVTDZLER-SNVBAGLBSA-N -2 0 345.417 2.698 20 0 EFADRL CCCc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)s1 ZINC001596081949 983396476 /nfs/dbraw/zinc/39/64/76/983396476.db2.gz GZWBWIMDZUVDIO-UHFFFAOYSA-N -2 0 344.389 2.734 20 0 EFADRL CCCc1cnc([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)s1 ZINC001596082579 983401496 /nfs/dbraw/zinc/40/14/96/983401496.db2.gz RWPMMWKDLRZEMN-UHFFFAOYSA-N -2 0 340.426 2.736 20 0 EFADRL C[C@H]1CN(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC001594481664 985530249 /nfs/dbraw/zinc/53/02/49/985530249.db2.gz YJGLRKJXOOALTB-WCBMZHEXSA-N -2 0 340.763 2.613 20 0 EFADRL C[C@@H](C(=O)[O-])[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC001589459187 986907998 /nfs/dbraw/zinc/90/79/98/986907998.db2.gz XAVVYPNOXLMJAP-SJKOYZFVSA-N -2 0 341.363 2.506 20 0 EFADRL CCC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001594722264 987211168 /nfs/dbraw/zinc/21/11/68/987211168.db2.gz LFJRFUSKHFOPDN-UHFFFAOYSA-N -2 0 337.353 2.680 20 0 EFADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@]2(C(=O)[O-])CC=CCC2)cc1 ZINC001589634244 987549294 /nfs/dbraw/zinc/54/92/94/987549294.db2.gz WZVUGTOMJPKYHV-SFHVURJKSA-N -2 0 331.368 2.798 20 0 EFADRL CCc1[nH]c(C(=O)Nc2cc(C(C)=O)cc(F)c2[O-])c(C)c1C(=O)[O-] ZINC001597372551 987554687 /nfs/dbraw/zinc/55/46/87/987554687.db2.gz BGRCMWRMANBTGF-UHFFFAOYSA-N -2 0 348.330 2.883 20 0 EFADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC001589638549 987560624 /nfs/dbraw/zinc/56/06/24/987560624.db2.gz KNKJYBXVEVHYNE-NEPJUHHUSA-N -2 0 333.384 2.878 20 0 EFADRL CC(C)(C(=O)[O-])c1csc(NC(=O)c2s[n-]c(=O)c2Cl)n1 ZINC001589657090 987627864 /nfs/dbraw/zinc/62/78/64/987627864.db2.gz NOOWEECJXLDXED-UHFFFAOYSA-N -2 0 347.805 2.573 20 0 EFADRL CC(C)(C)[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])no1 ZINC001589728859 987937395 /nfs/dbraw/zinc/93/73/95/987937395.db2.gz POHASMYALBBDRV-WDEREUQCSA-N -2 0 344.433 2.504 20 0 EFADRL CSc1cc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])ccn1 ZINC001599809574 988310601 /nfs/dbraw/zinc/31/06/01/988310601.db2.gz LCTKFKDHSLZUMR-UHFFFAOYSA-N -2 0 342.398 2.512 20 0 EFADRL CSc1cccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])c1C ZINC001599823155 988550397 /nfs/dbraw/zinc/55/03/97/988550397.db2.gz ABENHUUMZOZZPW-UHFFFAOYSA-N -2 0 344.439 2.672 20 0 EFADRL CCc1cccnc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001597621610 988550626 /nfs/dbraw/zinc/55/06/26/988550626.db2.gz DJFDYJNVZNAXRY-UHFFFAOYSA-N -2 0 340.788 2.796 20 0 EFADRL CCc1ccncc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC001597622733 988563156 /nfs/dbraw/zinc/56/31/56/988563156.db2.gz BBEVDOBCBRXKDZ-UHFFFAOYSA-N -2 0 338.360 2.591 20 0 EFADRL CCc1ncc(S(=O)(=O)[N-]c2sc(C)cc2C(=O)[O-])s1 ZINC001597702934 988934714 /nfs/dbraw/zinc/93/47/14/988934714.db2.gz GMFHDWJGNUURJS-UHFFFAOYSA-N -2 0 332.428 2.574 20 0 EFADRL CCc1ncsc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC001597712248 988975516 /nfs/dbraw/zinc/97/55/16/988975516.db2.gz PRYBUFOOELXQFX-UHFFFAOYSA-N -2 0 326.399 2.513 20 0 EFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2ncccc12 ZINC001597790404 989310934 /nfs/dbraw/zinc/31/09/34/989310934.db2.gz ATKCDKKXCCLSIO-UHFFFAOYSA-N -2 0 346.364 2.889 20 0 EFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC001597791241 989320444 /nfs/dbraw/zinc/32/04/44/989320444.db2.gz NTJRDOYVPPQEFM-UHFFFAOYSA-N -2 0 329.761 2.994 20 0 EFADRL CCn1c(C)cc(C([O-])=C[S@@](=O)Cc2ccccc2C(=O)[O-])c1C ZINC001597843738 989553628 /nfs/dbraw/zinc/55/36/28/989553628.db2.gz VLHMFBVTIOKUKW-DEOSSOPVSA-N -2 0 347.436 2.955 20 0 EFADRL CN(C(=O)c1cc(Br)c(F)cc1[O-])C(C)(C)CC(=O)[O-] ZINC001598073470 990377140 /nfs/dbraw/zinc/37/71/40/990377140.db2.gz OEGBNSYYHUCFPW-UHFFFAOYSA-N -2 0 348.168 2.619 20 0 EFADRL CN(C(=O)c1cc(Br)cc(F)c1[O-])C(C)(C)CC(=O)[O-] ZINC001598073525 990377801 /nfs/dbraw/zinc/37/78/01/990377801.db2.gz PQKSLLHBHUBBFL-UHFFFAOYSA-N -2 0 348.168 2.619 20 0 EFADRL COc1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001599716174 991459394 /nfs/dbraw/zinc/45/93/94/991459394.db2.gz ZYYTXLBXYVWAOA-UHFFFAOYSA-N -2 0 341.772 2.848 20 0 EFADRL CN(Cc1ccc(C=CC(=O)[O-])o1)Cc1nc(=O)c2sccc2[n-]1 ZINC001598538125 992864318 /nfs/dbraw/zinc/86/43/18/992864318.db2.gz DZRBANNHVJHROM-SNAWJCMRSA-N -2 0 345.380 2.720 20 0 EFADRL CN(Cc1ccc(C=CC(=O)[O-])o1)Cc1nc(=O)c2sccc2[n-]1 ZINC001598538124 992864506 /nfs/dbraw/zinc/86/45/06/992864506.db2.gz DZRBANNHVJHROM-PLNGDYQASA-N -2 0 345.380 2.720 20 0 EFADRL C[C@H](S[C@@H](C)C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C(=O)[O-] ZINC001593659023 996034886 /nfs/dbraw/zinc/03/48/86/996034886.db2.gz QNEMDVXUKXXUKP-UWVGGRQHSA-N -2 0 339.413 2.582 20 0 EFADRL C[C@@]1(NC(=O)c2ccc3oc(=S)[n-]c3c2)CCCC[C@@H]1C(=O)[O-] ZINC001594056054 997793247 /nfs/dbraw/zinc/79/32/47/997793247.db2.gz NEXUELJAOMXQBF-QLJPJBMISA-N -2 0 334.397 2.880 20 0 EFADRL COc1c(NC(=O)CC2(CC(=O)[O-])CCCC2)cccc1C(=O)[O-] ZINC001599337917 997870211 /nfs/dbraw/zinc/87/02/11/997870211.db2.gz UCXNZCRAIQPNGB-UHFFFAOYSA-N -2 0 335.356 2.757 20 0 EFADRL CC1=C(C(=O)[O-])[C@H](c2ccccc2)NC(=O)N1CCCCCC(=O)[O-] ZINC001594098832 998086853 /nfs/dbraw/zinc/08/68/53/998086853.db2.gz YJIIDDKQIDVUSC-INIZCTEOSA-N -2 0 346.383 2.757 20 0 EFADRL Cc1[n-]n(-c2cc(C)ccc2Br)c(=O)c1CC(=O)[O-] ZINC001594114748 998239967 /nfs/dbraw/zinc/23/99/67/998239967.db2.gz GRXWRZKCVSUGGR-SECBINFHSA-N -2 0 325.162 2.571 20 0 EFADRL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc2ccccc2o1 ZINC001599377656 998513830 /nfs/dbraw/zinc/51/38/30/998513830.db2.gz IVGBKROWMCLSQZ-UHFFFAOYSA-N -2 0 347.348 2.940 20 0 EFADRL C[C@H]1C[C@H](CC[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CC(C)(C)C1 ZINC001594235510 998895864 /nfs/dbraw/zinc/89/58/64/998895864.db2.gz HXRILSBBSFAFPR-QWRGUYRKSA-N -2 0 344.433 2.504 20 0 EFADRL CO[C@H](C)c1cccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)c1 ZINC001599041261 999119193 /nfs/dbraw/zinc/11/91/93/999119193.db2.gz QVAWUVSNQGUCNS-SNVBAGLBSA-N -2 0 339.369 2.794 20 0 EFADRL CO[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C1 ZINC001599073012 999346537 /nfs/dbraw/zinc/34/65/37/999346537.db2.gz BOLCSBLXMHDJMW-KRWDZBQOSA-N -2 0 349.770 2.515 20 0 EFADRL C[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C[C@H]1C(=O)[O-] ZINC001594402500 999508091 /nfs/dbraw/zinc/50/80/91/999508091.db2.gz BJLKZZHWKKKDBE-GZMMTYOYSA-N -2 0 340.763 2.613 20 0 EFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccn(C3CCCCC3)n2)cc1 ZINC001647160420 1089014650 /nfs/dbraw/zinc/01/46/50/1089014650.db2.gz OIWUQLMDVHCUMF-UHFFFAOYSA-N -2 0 349.412 2.887 20 0 EFADRL CSc1ccc([O-])c(C(=O)N=c2[n-]c(C)nn2-c2ccccc2)c1 ZINC001587493004 1092817953 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EFADRL Cc1ccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])cc1C(=O)[O-] ZINC001607806918 1097740029 /nfs/dbraw/zinc/74/00/29/1097740029.db2.gz XDZAQTMGUDZSRY-UHFFFAOYSA-N -2 0 337.335 2.837 20 0 EFADRL Cc1[nH]c(C([O-])=CS(=O)(=O)c2ccc(C)c(C)c2)c(C)c1C(=O)[O-] ZINC001607815637 1097741741 /nfs/dbraw/zinc/74/17/41/1097741741.db2.gz DJWTYODOYDGBRT-UHFFFAOYSA-N -2 0 349.408 2.603 20 0 EFADRL Cc1ccc(S(=O)(=O)[N-]c2cc3c(cn2)CCCC3)cc1C(=O)[O-] ZINC001607821857 1097742998 /nfs/dbraw/zinc/74/29/98/1097742998.db2.gz KBETURUIIORREK-UHFFFAOYSA-N -2 0 346.408 2.768 20 0 EFADRL Cc1ccc(S(=O)(=O)Nc2ccc3cc[nH]c3c2)c(C(=O)[O-])c1 ZINC001607821861 1097743260 /nfs/dbraw/zinc/74/32/60/1097743260.db2.gz KIHVXDINRVZDRS-UHFFFAOYSA-N -2 0 330.365 2.975 20 0 EFADRL Cc1cccc(S(=O)(=O)[N-]c2cnn([C@@H](C)C3CC3)c2)c1C(=O)[O-] ZINC001607862860 1097757803 /nfs/dbraw/zinc/75/78/03/1097757803.db2.gz CYGYTVAESGRZTL-NSHDSACASA-N -2 0 349.412 2.662 20 0 EFADRL Cc1cccc(S(=O)(=O)[N-]c2nc(C(=O)[O-])c(C3CC3)s2)c1 ZINC001607863051 1097757959 /nfs/dbraw/zinc/75/79/59/1097757959.db2.gz JWNVREBTPQHMKM-UHFFFAOYSA-N -2 0 338.410 2.828 20 0 EFADRL Cc1c(Cl)c(C(=O)[O-])sc1S(=O)(=O)[N-]c1ncccc1C ZINC001607890789 1097769131 /nfs/dbraw/zinc/76/91/31/1097769131.db2.gz MKAKSSKJELZTEN-UHFFFAOYSA-N -2 0 346.817 2.912 20 0 EFADRL Cc1csc([N-]S(=O)(=O)c2cccc(N(C)C)c2)c1C(=O)[O-] ZINC001607934074 1097781914 /nfs/dbraw/zinc/78/19/14/1097781914.db2.gz LUVQPSHNKZXGJR-UHFFFAOYSA-N -2 0 340.426 2.622 20 0 EFADRL Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)c1cccc(Cl)c1[O-] ZINC001608008988 1097803886 /nfs/dbraw/zinc/80/38/86/1097803886.db2.gz BOMYHSVNUHCWRV-UHFFFAOYSA-N -2 0 337.763 2.586 20 0 EFADRL Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001608019535 1097807145 /nfs/dbraw/zinc/80/71/45/1097807145.db2.gz GDNPVVUHXZBFBL-UHFFFAOYSA-N -2 0 348.336 2.742 20 0 EFADRL Cc1oc(S(=O)(=O)[N-]c2nc3ccsc3s2)cc1C(=O)[O-] ZINC001608056679 1097819073 /nfs/dbraw/zinc/81/90/73/1097819073.db2.gz CSVHOHKZNRAJLW-UHFFFAOYSA-N -2 0 344.395 2.758 20 0 EFADRL O=C([O-])[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccc2c(c1)CCO2 ZINC001608386020 1097907576 /nfs/dbraw/zinc/90/75/76/1097907576.db2.gz MYTMZBAADMSGCQ-HNNXBMFYSA-N -2 0 347.754 2.536 20 0 EFADRL O=C([O-])[C@H](NC(=O)c1cc(Cl)cc(Cl)c1[O-])c1cccnc1 ZINC001608389571 1097909378 /nfs/dbraw/zinc/90/93/78/1097909378.db2.gz XHLSJLJGASNFAL-LLVKDONJSA-N -2 0 341.150 2.650 20 0 EFADRL O=C([O-])[C@@H](CNC(=O)c1ccc(Cl)c([O-])c1)c1ccc(F)cc1 ZINC001608416540 1097915491 /nfs/dbraw/zinc/91/54/91/1097915491.db2.gz DBJGJTBETRDIBM-LBPRGKRZSA-N -2 0 337.734 2.783 20 0 EFADRL O=C([O-])c1cc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc2[nH]ccc21 ZINC001608497348 1097931713 /nfs/dbraw/zinc/93/17/13/1097931713.db2.gz UQFXHHRDEQZVGK-UHFFFAOYSA-N -2 0 345.355 2.631 20 0 EFADRL O=C([O-])c1cc(NC(=O)NC2CCC(C(=O)[O-])CC2)ccc1Cl ZINC001608508569 1097935306 /nfs/dbraw/zinc/93/53/06/1097935306.db2.gz LWSFZDDZJAVGCG-UHFFFAOYSA-N -2 0 340.763 2.803 20 0 EFADRL O=C([O-])[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1)c1cccc2ccccc21 ZINC001608545280 1097947105 /nfs/dbraw/zinc/94/71/05/1097947105.db2.gz OQRGKGSQSJYUAH-WWGRRREGSA-N -2 0 341.363 2.583 20 0 EFADRL O=C([O-])C[C@]1(NC(=O)c2cc(Cl)c3ccccc3c2[O-])CCOC1 ZINC001608685265 1097990580 /nfs/dbraw/zinc/99/05/80/1097990580.db2.gz FQQUPLBURTXPLN-QGZVFWFLSA-N -2 0 349.770 2.562 20 0 EFADRL O=C([O-])C[C@@H]1CN(C(=O)c2cc(F)cc(F)c2[O-])c2ccccc21 ZINC001608700041 1097994078 /nfs/dbraw/zinc/99/40/78/1097994078.db2.gz VIFVBYLOMIQSCX-SECBINFHSA-N -2 0 333.290 2.889 20 0 EFADRL O=C([O-])CC[C@H]1CCCCN1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC001608707047 1097995055 /nfs/dbraw/zinc/99/50/55/1097995055.db2.gz HJHVDRADYSUYFZ-CQSZACIVSA-N -2 0 334.372 2.565 20 0 EFADRL O=C([O-])CCCCCNC(=O)Nc1cc2[nH]ccc2c(C(=O)[O-])c1 ZINC001608711675 1097997444 /nfs/dbraw/zinc/99/74/44/1097997444.db2.gz KQHGMGRMROSIPQ-UHFFFAOYSA-N -2 0 333.344 2.633 20 0 EFADRL O=C([O-])CCCCNC(=O)Nc1scc(C2CC2)c1C(=O)[O-] ZINC001608713140 1097998061 /nfs/dbraw/zinc/99/80/61/1097998061.db2.gz VBVAGKJJDKDJGU-UHFFFAOYSA-N -2 0 326.374 2.700 20 0 EFADRL O=C([O-])CCCOc1cccc(-c2cc(C(=O)[O-])ccc2CO)c1 ZINC001608717795 1097999156 /nfs/dbraw/zinc/99/91/56/1097999156.db2.gz YUCHWQWTVCMCTK-UHFFFAOYSA-N -2 0 330.336 2.788 20 0 EFADRL O=C([O-])CCN(Cc1ccncc1)C(=O)c1cccc(Cl)c1[O-] ZINC001608723097 1098001126 /nfs/dbraw/zinc/00/11/26/1098001126.db2.gz VDCYMIHIAASCEY-UHFFFAOYSA-N -2 0 334.759 2.558 20 0 EFADRL O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1cccc(F)c1[O-] ZINC001608803185 1098027106 /nfs/dbraw/zinc/02/71/06/1098027106.db2.gz CAYJEWFCFWLVBC-GJZGRUSLSA-N -2 0 329.327 2.962 20 0 EFADRL O=C([O-])[C@@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)C[C@H]1C1CC1 ZINC001608807814 1098028226 /nfs/dbraw/zinc/02/82/26/1098028226.db2.gz KGYIKJOSMSELRV-VHSXEESVSA-N -2 0 344.194 2.882 20 0 EFADRL O=C([O-])c1cc(NC(=O)c2nn(-c3ccccc3)cc2[O-])ccc1F ZINC001608856465 1098046555 /nfs/dbraw/zinc/04/65/55/1098046555.db2.gz XCOGSNZBTNWKMR-UHFFFAOYSA-N -2 0 341.298 2.668 20 0 EFADRL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1c[nH]c2ccccc12 ZINC001608897009 1098064194 /nfs/dbraw/zinc/06/41/94/1098064194.db2.gz BQMAMVMOKIQNRX-UHFFFAOYSA-N -2 0 334.328 2.806 20 0 EFADRL O=C([O-])c1cccc(C(=O)CSc2nc(C3CC3)cc(=O)[nH]2)c1 ZINC001608928379 1098077550 /nfs/dbraw/zinc/07/75/50/1098077550.db2.gz INKZDMZQDVMCMY-UHFFFAOYSA-N -2 0 330.365 2.733 20 0 EFADRL O=C([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cccc(O)c1 ZINC001608933402 1098080431 /nfs/dbraw/zinc/08/04/31/1098080431.db2.gz IGHWCIRXRPPNNE-UHFFFAOYSA-N -2 0 327.745 2.545 20 0 EFADRL O=C([O-])c1cccc2c1CN(C(=O)c1ccc(Cl)c([O-])c1)CC2 ZINC001608941783 1098084590 /nfs/dbraw/zinc/08/45/90/1098084590.db2.gz UGJKMZORGQYENP-UHFFFAOYSA-N -2 0 331.755 2.942 20 0 EFADRL O=C([O-])c1coc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c1 ZINC001608991244 1098102461 /nfs/dbraw/zinc/10/24/61/1098102461.db2.gz MJYGGXJVQWWUEN-UHFFFAOYSA-N -2 0 335.259 2.797 20 0 EFADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCC[C@H](CC(=O)[O-])C2)cc1 ZINC001609651355 1098416239 /nfs/dbraw/zinc/41/62/39/1098416239.db2.gz IPYCQKCMZYMFCI-GFCCVEGCSA-N -2 0 348.399 2.767 20 0 EFADRL CC(C)(C)Nc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001609658780 1098418820 /nfs/dbraw/zinc/41/88/20/1098418820.db2.gz MWAISQPPQZVFKR-UHFFFAOYSA-N -2 0 338.385 2.989 20 0 EFADRL CC(C)c1nc(S(=O)(=O)[N-]c2ccc([C@@H](C)C(=O)[O-])cc2)c[nH]1 ZINC001609721686 1098437158 /nfs/dbraw/zinc/43/71/58/1098437158.db2.gz HNQGLQLKTBKCAF-SNVBAGLBSA-N -2 0 337.401 2.522 20 0 EFADRL C[C@@]1(NC(=O)c2cc(F)c(F)c([O-])c2F)CCCC[C@H]1C(=O)[O-] ZINC001609824261 1098469496 /nfs/dbraw/zinc/46/94/96/1098469496.db2.gz XAFAEWIALUEXNM-VXJOIVPMSA-N -2 0 331.290 2.573 20 0 EFADRL CC[C@H](C)[C@H](C)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001609902191 1098489291 /nfs/dbraw/zinc/48/92/91/1098489291.db2.gz UJUVBDQDVKYMMT-IUCAKERBSA-N -2 0 347.820 2.525 20 0 EFADRL CC[C@H](C)CCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001609906122 1098490361 /nfs/dbraw/zinc/49/03/61/1098490361.db2.gz AVSYTXQPMMHWGZ-VIFPVBQESA-N -2 0 347.820 2.669 20 0 EFADRL CCC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001609956224 1098505132 /nfs/dbraw/zinc/50/51/32/1098505132.db2.gz OIKDNUUMJHMITE-SNVBAGLBSA-N -2 0 347.458 2.714 20 0 EFADRL CCCc1csc([N-]S(=O)(=O)Cc2cccc(C(=O)[O-])c2)n1 ZINC001609984450 1098514023 /nfs/dbraw/zinc/51/40/23/1098514023.db2.gz BEMXCFUROXIYPN-UHFFFAOYSA-N -2 0 340.426 2.736 20 0 EFADRL CCc1cc(C(=O)[O-])c(NC(=O)CC2(C(=O)[O-])CCCC2)s1 ZINC001610058409 1098533553 /nfs/dbraw/zinc/53/35/53/1098533553.db2.gz JJZZWZQICUQIFR-UHFFFAOYSA-N -2 0 325.386 2.982 20 0 EFADRL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)no1 ZINC001610058635 1098533871 /nfs/dbraw/zinc/53/38/71/1098533871.db2.gz HBLMLCXJOUFVJT-UHFFFAOYSA-N -2 0 348.739 2.529 20 0 EFADRL CCc1ccc([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1OC ZINC001610062492 1098535702 /nfs/dbraw/zinc/53/57/02/1098535702.db2.gz GYWZUYJSVAAQNF-UHFFFAOYSA-N -2 0 341.410 2.818 20 0 EFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1O ZINC001610078645 1098541554 /nfs/dbraw/zinc/54/15/54/1098541554.db2.gz BAZJZULCUFUETO-UHFFFAOYSA-N -2 0 345.760 2.700 20 0 EFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC)cc1C ZINC001610078049 1098541745 /nfs/dbraw/zinc/54/17/45/1098541745.db2.gz SVHBLYSWYQLLKX-UHFFFAOYSA-N -2 0 339.369 2.658 20 0 EFADRL CN(C(=O)c1cc(F)c(F)c([O-])c1F)[C@H](C(=O)[O-])c1ccccc1 ZINC001610095236 1098545919 /nfs/dbraw/zinc/54/59/19/1098545919.db2.gz WZHAZCJFJNAOAF-ZDUSSCGKSA-N -2 0 339.269 2.707 20 0 EFADRL CO[C@H](CS(=O)(=O)[N-]c1sccc1C(=O)[O-])c1ccccc1 ZINC001610227913 1098580500 /nfs/dbraw/zinc/58/05/00/1098580500.db2.gz LLYIISRURLCMIF-GFCCVEGCSA-N -2 0 341.410 2.576 20 0 EFADRL COCc1cc([N-]S(=O)(=O)c2ccc(C)s2)cc(C(=O)[O-])c1 ZINC001610270560 1098593881 /nfs/dbraw/zinc/59/38/81/1098593881.db2.gz BIIYDVUPHMQUDH-UHFFFAOYSA-N -2 0 341.410 2.702 20 0 EFADRL CSc1ccccc1S(=O)(=O)[N-]c1cc(C)[nH]c1C(=O)[O-] ZINC001610388518 1098651792 /nfs/dbraw/zinc/65/17/92/1098651792.db2.gz LIMCOWPOOGRVMD-UHFFFAOYSA-N -2 0 326.399 2.544 20 0 EFADRL Cc1c([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)n[nH]c1C(C)C ZINC001610411044 1098662793 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ZINC000832953108 601617361 /nfs/dbraw/zinc/61/73/61/601617361.db2.gz MJICKSPKUFDJIB-WEVVVXLNSA-N -2 0 333.365 2.599 20 0 EFADRL CC(C)c1cccc(-n2cc([O-])c(C(=O)N[C@@H](C(=O)[O-])C(C)C)n2)c1 ZINC000827128925 601756524 /nfs/dbraw/zinc/75/65/24/601756524.db2.gz CSYOIZAHQGKYCN-OAHLLOKOSA-N -2 0 345.399 2.540 20 0 EFADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(Cl)ccn1 ZINC000833318019 601769378 /nfs/dbraw/zinc/76/93/78/601769378.db2.gz SFRGQHIXWUOIPB-UHFFFAOYSA-N -2 0 347.179 2.887 20 0 EFADRL Cc1cccc(S(=O)(=O)[N-]c2nc(CCCC(=O)[O-])cs2)c1 ZINC000316207099 601771836 /nfs/dbraw/zinc/77/18/36/601771836.db2.gz AZZOFOZLQWGWLF-UHFFFAOYSA-N -2 0 340.426 2.660 20 0 EFADRL Cc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1Cl ZINC000832950648 601830363 /nfs/dbraw/zinc/83/03/63/601830363.db2.gz RSPFLTDDWCZITF-UHFFFAOYSA-N -2 0 332.790 2.604 20 0 EFADRL O=C([O-])c1nscc1S(=O)(=O)[N-]c1cccc2c1CCCC2 ZINC000833345989 601831708 /nfs/dbraw/zinc/83/17/08/601831708.db2.gz IWMITNOXLXVAFF-UHFFFAOYSA-N -2 0 338.410 2.521 20 0 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CN(C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000833685316 604533334 /nfs/dbraw/zinc/53/33/34/604533334.db2.gz KTUQDQLFOKDDEV-UHFFFAOYSA-N -2 0 341.776 2.650 20 0 EFADRL COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(F)cc1C(=O)[O-] ZINC000833731080 604745709 /nfs/dbraw/zinc/74/57/09/604745709.db2.gz PWLDAQDNFDJUPO-UHFFFAOYSA-N -2 0 339.344 2.642 20 0 EFADRL CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000828580153 604805804 /nfs/dbraw/zinc/80/58/04/604805804.db2.gz AJRMTFAHISCJJL-UHFFFAOYSA-N -2 0 339.394 2.840 20 0 EFADRL O=C([O-])COc1ccc([N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000833259174 604809420 /nfs/dbraw/zinc/80/94/20/604809420.db2.gz LCCLVIGFVPJFKN-UHFFFAOYSA-N -2 0 347.801 2.666 20 0 EFADRL O=C([O-])c1ccc(CCNC(=O)c2cc(F)cc(Cl)c2[O-])cc1 ZINC000833313012 604926423 /nfs/dbraw/zinc/92/64/23/604926423.db2.gz JOJAUEMJNIZVTG-UHFFFAOYSA-N -2 0 337.734 2.855 20 0 EFADRL O=C([O-])c1cccc(NC(=O)c2cc(F)cc(Cl)c2[O-])c1O ZINC000833160341 604999027 /nfs/dbraw/zinc/99/90/27/604999027.db2.gz 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ZINC001169740068 1273147622 /nfs/dbraw/zinc/14/76/22/1273147622.db2.gz GWNRCHHHMLBLMR-UHFFFAOYSA-N -2 0 334.470 2.503 20 0 EFADRL Cc1cc(C)c(Nc2ccc(CC(=O)[O-])cc2)c(S(=O)(=O)[O-])c1 ZINC001174953650 1287266015 /nfs/dbraw/zinc/26/60/15/1287266015.db2.gz WLZAWTYVLSZQHX-UHFFFAOYSA-N -2 0 335.381 2.921 20 0 EFADRL COc1cc(Cl)c(S(=O)(=O)[N-]c2ccccc2)cc1C(=O)[O-] ZINC000790382267 1277487312 /nfs/dbraw/zinc/48/73/12/1277487312.db2.gz RLEXGQNMHCPXBY-UHFFFAOYSA-N -2 0 341.772 2.848 20 0 EFADRL O=C(COC(=O)c1cc([S-])ccc1F)[N-]OCc1ccccc1 ZINC000798723685 1279075786 /nfs/dbraw/zinc/07/57/86/1279075786.db2.gz YRPSSYOEZUVIJB-UHFFFAOYSA-N -2 0 335.356 2.519 20 0 EFADRL Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2C)c1C(=O)[O-] ZINC000806633304 1281117488 /nfs/dbraw/zinc/11/74/88/1281117488.db2.gz LBMKINRFJSEUAG-UHFFFAOYSA-N -2 0 340.788 2.851 20 0 EFADRL Cc1cc(S(=O)(=O)[O-])c(Nc2cncc(C(=O)[O-])c2)cc1Cl ZINC001175843735 1287560008 /nfs/dbraw/zinc/56/00/08/1287560008.db2.gz TVUPWAMAGFGUDW-UHFFFAOYSA-N -2 0 342.760 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O=C(Nc1ccc2c([O-])[n-]c(=O)nc2c1)c1cccc(-c2cnco2)c1 ZINC001188957483 1291527036 /nfs/dbraw/zinc/52/70/36/1291527036.db2.gz YPOSSOBDXLNOEG-UHFFFAOYSA-N -2 0 348.318 2.948 20 0 EFADRL O=S(=O)(Cc1ccc(F)c(F)c1)[N-]c1ncc(Cl)cc1[O-] ZINC001189272608 1291661236 /nfs/dbraw/zinc/66/12/36/1291661236.db2.gz LJJNPVSKEIECKO-UHFFFAOYSA-N -2 0 334.731 2.661 20 0 EFADRL O=S(=O)(Cc1ccc(F)cc1F)[N-]c1ncc(Cl)cc1[O-] ZINC001189782526 1291858013 /nfs/dbraw/zinc/85/80/13/1291858013.db2.gz SUWSWZIISLVHOC-UHFFFAOYSA-N -2 0 334.731 2.661 20 0 EFADRL CC(=O)c1cccc(O)c1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189825175 1291883250 /nfs/dbraw/zinc/88/32/50/1291883250.db2.gz ZVBYMWYFAZWGDW-UHFFFAOYSA-N -2 0 341.335 2.815 20 0 EFADRL Cc1cccc(C2(NC(=O)c3ccccc3OP(=O)([O-])[O-])CC2)c1 ZINC001189905789 1291911384 /nfs/dbraw/zinc/91/13/84/1291911384.db2.gz ZOCDTNBPMPNBOE-UHFFFAOYSA-N -2 0 347.307 2.886 20 0 EFADRL C=Cc1ccc(NC(=O)c2cc(C(=O)[O-])cc(S(=O)(=O)[O-])c2)cc1 ZINC001189923759 1291921429 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Cc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC001195195157 1293843964 /nfs/dbraw/zinc/84/39/64/1293843964.db2.gz QGAHIVIOVAPDQR-UHFFFAOYSA-N -2 0 333.337 2.834 20 0 EFADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)[N-]c3ccon3)cc2)c1 ZINC001196060523 1294114093 /nfs/dbraw/zinc/11/40/93/1294114093.db2.gz HEIVYEIAJGCOGF-UHFFFAOYSA-N -2 0 344.348 2.841 20 0 EFADRL O=C([O-])c1cccc(-c2ccc(S(=O)(=O)N[C@@H]3[CH]CC=C3)cc2)c1 ZINC001196117695 1294146182 /nfs/dbraw/zinc/14/61/82/1294146182.db2.gz JYYOKLNFWAENGD-INIZCTEOSA-N -2 0 342.396 2.863 20 0 EFADRL O=S(=O)(Cc1c(F)cccc1F)[N-]c1cc(F)cc(F)c1[O-] ZINC001197607698 1294639007 /nfs/dbraw/zinc/63/90/07/1294639007.db2.gz KSSGSHIPEDNKQT-UHFFFAOYSA-N -2 0 335.278 2.891 20 0 EFADRL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198730608 1295209878 /nfs/dbraw/zinc/20/98/78/1295209878.db2.gz QYOLYOAHQWWVRR-UHFFFAOYSA-N -2 0 339.344 2.723 20 0 EFADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(C(F)(F)F)nc1 ZINC001198739244 1295213635 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EFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2nccc(N3CCCCC3)n2)c1 ZINC001242158883 1314186193 /nfs/dbraw/zinc/18/61/93/1314186193.db2.gz ALSZIHNJUMZCFW-UHFFFAOYSA-N -2 0 327.340 2.530 20 0 EFADRL CC1(C)CC(=O)Nc2nc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc21 ZINC001242160542 1314186209 /nfs/dbraw/zinc/18/62/09/1314186209.db2.gz NLMIGLVCGQSXAP-UHFFFAOYSA-N -2 0 340.335 2.765 20 0 EFADRL CCOC(=O)/C=C/c1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1 ZINC001242159741 1314186258 /nfs/dbraw/zinc/18/62/58/1314186258.db2.gz XNKXGNHNYFBKGM-GQCTYLIASA-N -2 0 341.319 2.721 20 0 EFADRL CC1(C)OC(=O)c2c1ccnc2-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242158889 1314186296 /nfs/dbraw/zinc/18/62/96/1314186296.db2.gz AXSLICRREKDILN-UHFFFAOYSA-N -2 0 327.292 2.551 20 0 EFADRL CSc1nc2[nH]ccc2c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242159807 1314186303 /nfs/dbraw/zinc/18/63/03/1314186303.db2.gz RLNVTIJKCWONRM-UHFFFAOYSA-N -2 0 329.337 2.695 20 0 EFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2nccc(-c3cccnc3F)n2)c1 ZINC001242159277 1314186456 /nfs/dbraw/zinc/18/64/56/1314186456.db2.gz KJULWLZQHPFYCZ-UHFFFAOYSA-N -2 0 339.282 2.741 20 0 EFADRL COC(=O)c1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c(C)cc1OC ZINC001242162679 1314186747 /nfs/dbraw/zinc/18/67/47/1314186747.db2.gz JGPIZIODFWIEQQ-UHFFFAOYSA-N -2 0 344.319 2.854 20 0 EFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2ccc(F)c(C3OCCO3)c2)c1 ZINC001242162485 1314186791 /nfs/dbraw/zinc/18/67/91/1314186791.db2.gz VJILMJASGLMFLH-UHFFFAOYSA-N -2 0 332.283 2.935 20 0 EFADRL CC(C)(C)c1nc2[nH]cnc2c(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC001242160892 1314186834 /nfs/dbraw/zinc/18/68/34/1314186834.db2.gz PQGODJVJMCNQQL-UHFFFAOYSA-N -2 0 340.339 2.665 20 0 EFADRL CCOC(=O)c1cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cnc1C ZINC001242162993 1314186898 /nfs/dbraw/zinc/18/68/98/1314186898.db2.gz OEFXVPAKPMHKOW-UHFFFAOYSA-N -2 0 329.308 2.630 20 0 EFADRL CCOC(=O)Cc1ccccc1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1 ZINC001242161512 1314186970 /nfs/dbraw/zinc/18/69/70/1314186970.db2.gz YDBSFDJIMQPTSZ-UHFFFAOYSA-N -2 0 328.320 2.856 20 0 EFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc(F)cc(N3CCOCC3)c2)c1 ZINC001242163441 1314187307 /nfs/dbraw/zinc/18/73/07/1314187307.db2.gz YELQOUBZBFDTFL-UHFFFAOYSA-N -2 0 345.326 2.726 20 0 EFADRL CC1(C)NC(=O)Cc2cc(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)ccc21 ZINC001242163932 1314187333 /nfs/dbraw/zinc/18/73/33/1314187333.db2.gz SLGWLBOOVJGFPV-UHFFFAOYSA-N -2 0 339.347 2.657 20 0 EFADRL O=C([O-])c1cc(C(=O)[O-])cc(-c2cccc3c2CN(C2CC2)C3=O)c1 ZINC001242163501 1314187352 /nfs/dbraw/zinc/18/73/52/1314187352.db2.gz XVYZVGKERBKNJG-UHFFFAOYSA-N -2 0 337.331 2.868 20 0 EFADRL COC(=O)c1cc(F)cc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1C ZINC001242163453 1314187377 /nfs/dbraw/zinc/18/73/77/1314187377.db2.gz YTRZAMLADDPEAV-UHFFFAOYSA-N -2 0 332.283 2.984 20 0 EFADRL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1cc(Cl)ccc1[S-] ZINC001260110683 1316316090 /nfs/dbraw/zinc/31/60/90/1316316090.db2.gz QPGPUHQCWWZGIU-UHFFFAOYSA-N -2 0 331.850 2.780 20 0 EFADRL Cc1c([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)ncn1C ZINC001260869424 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EFADRL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC001594829004 982002439 /nfs/dbraw/zinc/00/24/39/982002439.db2.gz ZCXXOOIXORNHOK-LBPRGKRZSA-N -2 0 341.763 2.540 20 0 EFADRL CC[C@@H](C)[C@H]([N-]S(=O)(=O)CCCCCC(=O)[O-])C(F)(F)F ZINC001594921283 982468303 /nfs/dbraw/zinc/46/83/03/982468303.db2.gz OUJOQEIPCBDZNF-KOLCDFICSA-N -2 0 333.372 2.528 20 0 EFADRL CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)C(F)(F)F ZINC001594921347 982468621 /nfs/dbraw/zinc/46/86/21/982468621.db2.gz PTACYEIZXHOKST-MUWHJKNJSA-N -2 0 345.364 2.702 20 0 EFADRL CC[C@@H](C)CCCCC(=O)[N-]S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001594959572 982708851 /nfs/dbraw/zinc/70/88/51/982708851.db2.gz YHHUQGRZPWPKGF-SNVBAGLBSA-N -2 0 347.458 2.858 20 0 EFADRL CCCN(C(=O)c1ccc(-c2ccc(C=O)o2)cc1[O-])[C@@H](C)C(=O)[O-] ZINC001595826152 982708872 /nfs/dbraw/zinc/70/88/72/982708872.db2.gz BPGMQBZDJBKNLD-NSHDSACASA-N -2 0 345.351 2.790 20 0 EFADRL CCCS(=O)(=O)[N-]c1ncc(Cc2cccc(C(=O)[O-])c2)s1 ZINC001595986097 983228896 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CCOc1ccc(-c2cc(=O)n(-c3ccc(CC(=O)[O-])cc3)[n-]2)cc1 ZINC001597081404 986624942 /nfs/dbraw/zinc/62/49/42/986624942.db2.gz JVIYEYBSRLFDRL-UHFFFAOYSA-N -2 0 338.363 2.853 20 0 EFADRL C[C@H](C(=O)[O-])[C@@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC001589459189 986907823 /nfs/dbraw/zinc/90/78/23/986907823.db2.gz XAVVYPNOXLMJAP-YVEFUNNKSA-N -2 0 341.363 2.506 20 0 EFADRL C[C@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2cnn(C3CCC3)c2)cc1 ZINC001589523877 987194644 /nfs/dbraw/zinc/19/46/44/987194644.db2.gz UEWFVPKPTQIZPM-NSHDSACASA-N -2 0 349.412 2.597 20 0 EFADRL CCC(=O)c1ccc([O-])c(NC(=O)C=Cc2cc(C(=O)[O-])co2)c1 ZINC001594721098 987202508 /nfs/dbraw/zinc/20/25/08/987202508.db2.gz OEDMAHRAHPQUGM-XQRVVYSFSA-N -2 0 329.308 2.928 20 0 EFADRL C[C@H](C(=O)[O-])c1cccc(NC(=O)c2s[n-]c(=O)c2Cl)c1 ZINC001589532327 987213229 /nfs/dbraw/zinc/21/32/29/987213229.db2.gz PUHWZEYOLWJZHU-LURJTMIESA-N -2 0 326.761 2.943 20 0 EFADRL C[C@@H](C(=O)[O-])c1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])c1 ZINC001589532867 987220229 /nfs/dbraw/zinc/22/02/29/987220229.db2.gz VFCVGWOAIOIKFM-CJJOAAIFSA-N -2 0 343.379 2.726 20 0 EFADRL CC(C)(C(=O)[O-])c1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC001589636246 987552000 /nfs/dbraw/zinc/55/20/00/987552000.db2.gz JQNMRIYUQLUFLH-UHFFFAOYSA-N -2 0 348.399 2.814 20 0 EFADRL CC(C)(C)C[C@@H](NC(=O)c1cccc(Br)c1[O-])C(=O)[O-] ZINC001589750738 988046648 /nfs/dbraw/zinc/04/66/48/988046648.db2.gz AUBICQAOVOBPEX-SNVBAGLBSA-N -2 0 344.205 2.774 20 0 EFADRL CC(C)(C)CCC(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001589764621 988104997 /nfs/dbraw/zinc/10/49/97/988104997.db2.gz PULFYDVHGQJDDZ-UHFFFAOYSA-N -2 0 347.820 2.669 20 0 EFADRL CCc1ccc(C)nc1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001597514909 988125077 /nfs/dbraw/zinc/12/50/77/988125077.db2.gz YKFRWAYZWZIKQF-UHFFFAOYSA-N -2 0 338.360 2.591 20 0 EFADRL CSCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC001599805429 988248316 /nfs/dbraw/zinc/24/83/16/988248316.db2.gz ZHHDOPARABMRIX-UHFFFAOYSA-N -2 0 341.410 2.950 20 0 EFADRL CCc1ccc([N-]S(=O)(=O)c2csnc2C(=O)[O-])cc1Cl ZINC001597557101 988293778 /nfs/dbraw/zinc/29/37/78/988293778.db2.gz XMMADURMKXEWNR-UHFFFAOYSA-N -2 0 346.817 2.858 20 0 EFADRL CCc1ccc(S(=O)(=O)C=C([O-])c2[nH]c(C)c(C(=O)[O-])c2C)cc1 ZINC001597557806 988299750 /nfs/dbraw/zinc/29/97/50/988299750.db2.gz SPHYWMLKDQRGKT-UHFFFAOYSA-N -2 0 349.408 2.549 20 0 EFADRL CSc1ccc(NC(=O)[C@@H](C)S[C@H](C)C(=O)[O-])cc1C(=O)[O-] ZINC001599816453 988433756 /nfs/dbraw/zinc/43/37/56/988433756.db2.gz XHADPEJOPUUMDE-HTQZYQBOSA-N -2 0 343.426 2.640 20 0 EFADRL CCc1cnc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)s1 ZINC001597632183 988602327 /nfs/dbraw/zinc/60/23/27/988602327.db2.gz PBFXUURBUDXAAQ-UHFFFAOYSA-N -2 0 344.389 2.652 20 0 EFADRL CSc1cncc([N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])c1 ZINC001599827122 988613854 /nfs/dbraw/zinc/61/38/54/988613854.db2.gz JHQFCKJLGXAJEO-UHFFFAOYSA-N -2 0 342.398 2.512 20 0 EFADRL CCc1nc([N-]S(=O)(=O)c2cccc(Cl)c2)sc1C(=O)[O-] ZINC001597685733 988842113 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CC(C)[C@H](CNC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)C(=O)[O-] ZINC001590988276 991180831 /nfs/dbraw/zinc/18/08/31/991180831.db2.gz HYJOSRKRDOBBJO-ZDUSSCGKSA-N -2 0 336.388 2.527 20 0 EFADRL CC(C)C[C@H](CC(=O)[O-])C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001591143193 991869750 /nfs/dbraw/zinc/86/97/50/991869750.db2.gz PKCXTUHRSZXFBS-MRVPVSSYSA-N -2 0 329.299 2.739 20 0 EFADRL CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1cccc(Br)c1[O-] ZINC001591423457 992510457 /nfs/dbraw/zinc/51/04/57/992510457.db2.gz PXCLOQCPZRZSGQ-NSHDSACASA-N -2 0 344.205 2.726 20 0 EFADRL COc1ccc(S(=O)(=O)[N-]c2sccc2C(=O)[O-])c(C)c1C ZINC001599617980 994043050 /nfs/dbraw/zinc/04/30/50/994043050.db2.gz REORHWYHBKTDJU-UHFFFAOYSA-N -2 0 341.410 2.873 20 0 EFADRL COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2cccc(F)c2[O-])c1 ZINC001599651693 994513652 /nfs/dbraw/zinc/51/36/52/994513652.db2.gz ADCXZWIAIINOGD-SFHVURJKSA-N -2 0 347.342 2.660 20 0 EFADRL COc1cccc(C)c1[N-]S(=O)(=O)c1c(C)csc1C(=O)[O-] ZINC001599661430 994662147 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EFADRL O=C(Cc1ccc2ccccc2c1)[N-]Oc1cccc(-c2nn[nH]n2)c1 ZINC001582143779 1091389064 /nfs/dbraw/zinc/38/90/64/1091389064.db2.gz YGTWCYAKJDBJDF-UHFFFAOYSA-N -2 0 345.362 2.673 20 0 EFADRL CCc1ccc(C)nc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC001597513976 1094594599 /nfs/dbraw/zinc/59/45/99/1094594599.db2.gz FBPOATOYPOUJBB-UHFFFAOYSA-N -2 0 326.399 2.513 20 0 EFADRL C[C@@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2[O-])C[C@H]1CC(=O)[O-] ZINC001599862808 1094700243 /nfs/dbraw/zinc/70/02/43/1094700243.db2.gz GSEOKXDOOTYMLP-HTQZYQBOSA-N -2 0 332.183 2.882 20 0 EFADRL Cc1c(/C=C\c2nc3ccc(C(=O)[O-])cc3s2)c(C(=O)[O-])nn1C ZINC001600010134 1094718675 /nfs/dbraw/zinc/71/86/75/1094718675.db2.gz XSADGAZOVAZHEY-XQRVVYSFSA-N -2 0 343.364 2.905 20 0 EFADRL Cc1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C(=O)[O-])ccc(F)c1C(=O)[O-] ZINC001600047381 1094740095 /nfs/dbraw/zinc/74/00/95/1094740095.db2.gz VLWSGYYOJQIAFC-HUTXTBKWSA-N -2 0 347.342 2.684 20 0 EFADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)noc1C(C)(C)C ZINC001600055031 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OMNAGUAZOQIYPN-QMMMGPOBSA-N -2 0 333.768 2.564 20 0 EFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnccc2C2CCC2)c1 ZINC001260184326 1316320895 /nfs/dbraw/zinc/32/08/95/1316320895.db2.gz GDVZWWVVSGUOQP-UHFFFAOYSA-N -2 0 332.381 2.848 20 0 EFADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)sn1 ZINC001260184454 1316320945 /nfs/dbraw/zinc/32/09/45/1316320945.db2.gz MACTXGVCKYOFOO-UHFFFAOYSA-N -2 0 340.426 2.940 20 0 EFADRL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cncc(C3CCC3)c2)c1 ZINC001260184205 1316320987 /nfs/dbraw/zinc/32/09/87/1316320987.db2.gz BDFRSUXSMKSQMV-UHFFFAOYSA-N -2 0 332.381 2.848 20 0 EFADRL CC(=O)c1cc(C)ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260190775 1316322025 /nfs/dbraw/zinc/32/20/25/1316322025.db2.gz FFQDHEGTTQNHLZ-UHFFFAOYSA-N -2 0 333.365 2.697 20 0 EFADRL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c3cccnc23)cc1 ZINC001260227675 1316324338 /nfs/dbraw/zinc/32/43/38/1316324338.db2.gz SJDDLXPLNKOCPY-UHFFFAOYSA-N -2 0 346.339 2.873 20 0 EFADRL CCC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260228620 1316324594 /nfs/dbraw/zinc/32/45/94/1316324594.db2.gz OWWJBYYUQXGTGQ-UHFFFAOYSA-N -2 0 333.365 2.778 20 0 EFADRL Cc1cc([N-]S(=O)(=O)c2cc(Cl)c([O-])c(Cl)c2)nc(C)n1 ZINC001260866930 1316374392 /nfs/dbraw/zinc/37/43/92/1316374392.db2.gz KFIQTXIAELPKGW-UHFFFAOYSA-N -2 0 348.211 2.907 20 0 EFADRL Cc1ncnc(C)c1[N-]S(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260869211 1316374852 /nfs/dbraw/zinc/37/48/52/1316374852.db2.gz GJADPVQJPJYGAT-UHFFFAOYSA-N -2 0 348.211 2.907 20 0 EFADRL Cc1cc(C(=O)Nc2ccc(C(F)F)cc2)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001304219527 1324645833 /nfs/dbraw/zinc/64/58/33/1324645833.db2.gz ZEBPOLOYXYXGLV-UHFFFAOYSA-N -2 0 346.293 2.934 20 0 EFADRL Cc1cc(C(=O)Nc2ccc(F)c(F)c2C)[n-]c2nc(=O)[n-]c(=O)c1-2 ZINC001468942971 1396992753 /nfs/dbraw/zinc/99/27/53/1396992753.db2.gz IZDIYUCRRSWFPP-UHFFFAOYSA-N -2 0 346.293 2.583 20 0 EFADRL O=S(=O)([N-]c1ccc(C2CC2)cc1)c1ccccc1-c1nn[n-]n1 ZINC000826492895 1429139562 /nfs/dbraw/zinc/13/95/62/1429139562.db2.gz KFFXOKPZPRUCFR-UHFFFAOYSA-N -2 0 341.396 2.545 20 0 EFADRL CCC[C@H](NC(=O)c1cc(Cl)c2ccccc2c1[O-])c1nn[n-]n1 ZINC000678315900 1424394446 /nfs/dbraw/zinc/39/44/46/1424394446.db2.gz OXPCPDDRZZUWKM-ZDUSSCGKSA-N -2 0 345.790 2.983 20 0 EFADRL Cc1ccc(CCC(=O)Nc2cc(-c3nnn[n-]3)ccc2O)c(C)c1 ZINC000822234832 1424998694 /nfs/dbraw/zinc/99/86/94/1424998694.db2.gz IXQZMLHPKGPYRG-UHFFFAOYSA-N -2 0 337.383 2.760 20 0 EFADRL Cc1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1-c1nn[n-]n1 ZINC000826308368 1426575272 /nfs/dbraw/zinc/57/52/72/1426575272.db2.gz WIZNSQYIMMVQKQ-UHFFFAOYSA-N -2 0 349.803 2.629 20 0 EFADRL O=C([O-])C=Cc1cnc(C=Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000823387686 1426762539 /nfs/dbraw/zinc/76/25/39/1426762539.db2.gz UKRRHFYRSBTZAF-OLDUDPGPSA-N -2 0 325.353 2.591 20 0 EFADRL CCc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1 ZINC000825723262 1426905742 /nfs/dbraw/zinc/90/57/42/1426905742.db2.gz VVGPCMFEGGZCJU-UHFFFAOYSA-N -2 0 343.412 2.538 20 0 EFADRL O=C(Nc1cc(-c2nnn[n-]2)ccc1O)C1(Cc2ccccc2)CCC1 ZINC000826451084 1427824246 /nfs/dbraw/zinc/82/42/46/1427824246.db2.gz PIKAMQSNSGPODS-UHFFFAOYSA-N -2 0 349.394 2.924 20 0 EFADRL O=C(Nc1ccc(F)c(-c2nn[n-]n2)c1)c1ccc([O-])c(Cl)c1 ZINC000738165290 1427845303 /nfs/dbraw/zinc/84/53/03/1427845303.db2.gz BKAZMCYYPGBFPV-UHFFFAOYSA-N -2 0 333.710 2.617 20 0 EFADRL Cc1c(NC(=O)CC2(CC(=O)[O-])CCCC2)cccc1-c1nn[n-]n1 ZINC000822065765 1441551791 /nfs/dbraw/zinc/55/17/91/1441551791.db2.gz AXHNPOAJEDMPIG-UHFFFAOYSA-N -2 0 343.387 2.539 20 0 EFADRL CCCc1cc(=O)[nH]c(SCc2cc(F)ccc2-c2nnn[n-]2)n1 ZINC000821139359 1442404192 /nfs/dbraw/zinc/40/41/92/1442404192.db2.gz VJTJQQBZOIZAFH-UHFFFAOYSA-N -2 0 346.391 2.746 20 0 EFADRL O=C([O-])C=Cc1cnc(C=Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC000823386986 1443575204 /nfs/dbraw/zinc/57/52/04/1443575204.db2.gz AISFMXDUEVSONG-PEPZGXQESA-N -2 0 325.353 2.591 20 0 EFADRL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1c([O-])cccc1Cl ZINC000826278867 1446561461 /nfs/dbraw/zinc/56/14/61/1446561461.db2.gz WOYZJPXZNIVWNC-UHFFFAOYSA-N -2 0 329.747 2.786 20 0 EFADRL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccc(-c2nn[n-]n2)s1 ZINC000823356509 1449665904 /nfs/dbraw/zinc/66/59/04/1449665904.db2.gz NPNDIMQZNHGMLH-UHFFFAOYSA-N -2 0 344.381 2.610 20 0 EFADRL O=C([O-])c1c(F)cc([N-]S(=O)(=O)c2ccccc2F)cc1F ZINC000317310841 717980209 /nfs/dbraw/zinc/98/02/09/717980209.db2.gz SXPKVUVMMNBXAZ-UHFFFAOYSA-N -2 0 331.271 2.603 20 0 EFADRL Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(C(=O)[O-])c(F)c2)c1F ZINC000313246776 715929825 /nfs/dbraw/zinc/92/98/25/715929825.db2.gz OEMROEAXZQQXBK-UHFFFAOYSA-N -2 0 345.298 2.911 20 0 EFADRL Cc1n[nH]c2cc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)ccc12 ZINC000093909579 716867424 /nfs/dbraw/zinc/86/74/24/716867424.db2.gz AQRXXXPVJLMCLT-UHFFFAOYSA-N -2 0 349.343 2.509 20 0 EFADRL O=C(NN=c1cnc2ccccc2[nH]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000163485529 718381239 /nfs/dbraw/zinc/38/12/39/718381239.db2.gz SXWFQRGWJBWWEU-UHFFFAOYSA-N -2 0 343.730 2.948 20 0 EFADRL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000320656758 724508968 /nfs/dbraw/zinc/50/89/68/724508968.db2.gz HMUVSWNVICUCIL-UHFFFAOYSA-N -2 0 340.788 2.851 20 0 EFADRL O=C([O-])c1c(F)cc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1F ZINC000321763605 726148288 /nfs/dbraw/zinc/14/82/88/726148288.db2.gz QJQBLUXIVYGYRP-UHFFFAOYSA-N -2 0 349.261 2.742 20 0 EFADRL O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000909684361 727361122 /nfs/dbraw/zinc/36/11/22/727361122.db2.gz YFGJMPNUTQLJFB-VMAXQDLPSA-N -2 0 327.739 2.510 20 0 EFADRL O=C([O-])[C@]12CN(C(=O)c3cc(F)c([O-])c(Cl)c3)C[C@H]1CCCC2 ZINC000910159956 727416302 /nfs/dbraw/zinc/41/63/02/727416302.db2.gz DAGNNYPVKOWQHW-QLJPJBMISA-N -2 0 341.766 2.902 20 0 EFADRL CC/C(=C\C(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C(=O)[O-])c1ccc(C)cc1 ZINC000910190961 727418692 /nfs/dbraw/zinc/41/86/92/727418692.db2.gz GSWTVBFJXIOXOP-FCEHDVOZSA-N -2 0 345.395 2.565 20 0 EFADRL O=C([O-])[C@@H]1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)[C@H]2CCC[C@@H]21 ZINC000910240734 727422684 /nfs/dbraw/zinc/42/26/84/727422684.db2.gz QIDQEPPZWCFVQX-BREBYQMCSA-N -2 0 341.766 2.900 20 0 EFADRL CCc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c(C(=O)[O-])c1 ZINC000732951882 727553933 /nfs/dbraw/zinc/55/39/33/727553933.db2.gz SPSVCBMKDFWUPQ-UHFFFAOYSA-N -2 0 340.788 2.796 20 0 EFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)sc1C(=O)[O-] ZINC000225613585 728174396 /nfs/dbraw/zinc/17/43/96/728174396.db2.gz KUFHUGHUAIKMGB-UHFFFAOYSA-N -2 0 347.801 2.915 20 0 EFADRL O=C([O-])c1cc2ccccc2cc1[N-]S(=O)(=O)c1cncc(F)c1 ZINC000068463372 729697094 /nfs/dbraw/zinc/69/70/94/729697094.db2.gz PPRJOUZKUQKNEN-UHFFFAOYSA-N -2 0 346.339 2.873 20 0 EFADRL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc(F)c2C)c(C)n1 ZINC000321510959 970777882 /nfs/dbraw/zinc/77/78/82/970777882.db2.gz KDVRPPQFBNBVCQ-UHFFFAOYSA-N -2 0 338.360 2.645 20 0 EFADRL O=C([O-])c1cccc2c1CCN(C(=O)c1ccc([O-])c(Cl)c1)C2 ZINC000322291715 970868833 /nfs/dbraw/zinc/86/88/33/970868833.db2.gz RDPSJGNMSHCHGA-UHFFFAOYSA-N -2 0 331.755 2.942 20 0 EFADRL Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C#N)cc1C(=O)[O-] ZINC000322997306 970956732 /nfs/dbraw/zinc/95/67/32/970956732.db2.gz JPUFUKMFQOOCEO-UHFFFAOYSA-N -2 0 330.365 2.674 20 0 EFADRL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C)cc(F)c1 ZINC000323238802 970980556 /nfs/dbraw/zinc/98/05/56/970980556.db2.gz ZRKAHPRFFUEGEE-UHFFFAOYSA-N -2 0 339.344 2.642 20 0 EFADRL O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccc2oc(=S)[n-]c2c1 ZINC001601422464 970989159 /nfs/dbraw/zinc/98/91/59/970989159.db2.gz QYOFYBUUGFBCJL-ZDUSSCGKSA-N -2 0 342.376 2.542 20 0 EFADRL C[C@](CC(=O)Nc1cccc(C(=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000324246051 971100879 /nfs/dbraw/zinc/10/08/79/971100879.db2.gz YXIVKPOBHNPMHF-GOSISDBHSA-N -2 0 327.336 2.756 20 0 EFADRL Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])s1 ZINC000315177217 950838254 /nfs/dbraw/zinc/83/82/54/950838254.db2.gz JJQBOFOQLATPQG-UHFFFAOYSA-N -2 0 325.411 2.793 20 0 EFADRL CC(C)(C)CC[C@H](NS(=O)(=O)c1cccc(Cl)c1[O-])C(=O)[O-] ZINC001602861923 971726654 /nfs/dbraw/zinc/72/66/54/971726654.db2.gz UQUQDWUAPIZHEW-JTQLQIEISA-N -2 0 349.836 2.603 20 0 EFADRL CC(C)(C)CN(CC(=O)[O-])C(=O)c1cccc(Br)c1[O-] ZINC001602867539 971731887 /nfs/dbraw/zinc/73/18/87/971731887.db2.gz INWSKVMYWYLPHH-UHFFFAOYSA-N -2 0 344.205 2.728 20 0 EFADRL O=C([O-])Cc1cccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c1 ZINC001595132692 952045185 /nfs/dbraw/zinc/04/51/85/952045185.db2.gz FQDYHUZHTFNCBI-UHFFFAOYSA-N -2 0 349.346 2.520 20 0 EFADRL O=C([O-])c1c(F)ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1Cl ZINC001595206896 952334543 /nfs/dbraw/zinc/33/45/43/952334543.db2.gz QJONQNOSJNZOJK-SFYZADRCSA-N -2 0 341.722 2.783 20 0 EFADRL O=C([O-])c1c(F)ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1Cl ZINC001595206894 952334656 /nfs/dbraw/zinc/33/46/56/952334656.db2.gz QJONQNOSJNZOJK-JGVFFNPUSA-N -2 0 341.722 2.783 20 0 EFADRL C[C@@H]1CN(C(=O)c2c([O-])cc(Cl)cc2Cl)CC[C@@H]1C(=O)[O-] ZINC001589383565 954295362 /nfs/dbraw/zinc/29/53/62/954295362.db2.gz NERPILFFWHEWAV-APPZFPTMSA-N -2 0 332.183 2.882 20 0 EFADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1cnc(Cl)cc1C ZINC000385795439 972015461 /nfs/dbraw/zinc/01/54/61/972015461.db2.gz QRBRNIJMBBGOQK-UHFFFAOYSA-N -2 0 346.817 2.912 20 0 EFADRL C[C@@H](NC(=O)c1ccc(Cl)c([O-])c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589117529 956104176 /nfs/dbraw/zinc/10/41/76/956104176.db2.gz KMZKMSLFZLOONI-DVVUODLYSA-N -2 0 325.792 2.911 20 0 EFADRL Cc1noc(C)c1S(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-] ZINC000013267677 957003732 /nfs/dbraw/zinc/00/37/32/957003732.db2.gz ZRDUFFJEPBKFME-UHFFFAOYSA-N -2 0 346.364 2.944 20 0 EFADRL O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccn2)cc1 ZINC000389587144 972233826 /nfs/dbraw/zinc/23/38/26/972233826.db2.gz NIVYWIDOLJSRCB-ZZXKWVIFSA-N -2 0 338.772 2.634 20 0 EFADRL CSc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)cc1 ZINC000038058482 957350776 /nfs/dbraw/zinc/35/07/76/957350776.db2.gz JADOEBDLZQLBIU-UHFFFAOYSA-N -2 0 329.424 2.969 20 0 EFADRL O=C([O-])COc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000038087261 957355854 /nfs/dbraw/zinc/35/58/54/957355854.db2.gz AKBASKKIIRVHGW-UHFFFAOYSA-N -2 0 347.801 2.666 20 0 EFADRL CCc1nc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)sc1C ZINC000048445637 957457610 /nfs/dbraw/zinc/45/76/10/957457610.db2.gz WEZSGHDMEOWYPG-UHFFFAOYSA-N -2 0 326.399 2.513 20 0 EFADRL O=C([O-])Cc1cccc(NC(=O)c2ccc3oc(=S)[n-]c3c2)c1 ZINC001574739004 957684663 /nfs/dbraw/zinc/68/46/63/957684663.db2.gz MTTAHAYIWGPOIQ-UHFFFAOYSA-N -2 0 328.349 2.996 20 0 EFADRL O=C([O-])[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1ccc(F)cc1 ZINC001605731725 972369473 /nfs/dbraw/zinc/36/94/73/972369473.db2.gz UQJDAUPYHSEPCN-GFCCVEGCSA-N -2 0 343.232 2.504 20 0 EFADRL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cn2)sc1Cl ZINC000231806827 960206158 /nfs/dbraw/zinc/20/61/58/960206158.db2.gz RCGPQFYELTVGPP-UHFFFAOYSA-N -2 0 332.790 2.604 20 0 EFADRL O=C([O-])[C@@H](CC1CCCCC1)NC(=O)c1cc(F)cc(F)c1[O-] ZINC001571174222 962084877 /nfs/dbraw/zinc/08/48/77/962084877.db2.gz MNVYKWBFPKNVKQ-CYBMUJFWSA-N -2 0 327.327 2.824 20 0 EFADRL CC(C)C[C@H](NC(=O)c1cc(Br)c(F)cc1[O-])C(=O)[O-] ZINC001588905459 962264020 /nfs/dbraw/zinc/26/40/20/962264020.db2.gz XLTNHZQABQWCSV-JTQLQIEISA-N -2 0 348.168 2.523 20 0 EFADRL C[C@](CC(=O)Nc1ccccc1CC(=O)[O-])(C(=O)[O-])c1ccccc1 ZINC001588994579 962832046 /nfs/dbraw/zinc/83/20/46/962832046.db2.gz XQCVOCZYZOBZLD-LJQANCHMSA-N -2 0 341.363 2.685 20 0 EFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c1C(=O)[O-] ZINC000314159564 963719312 /nfs/dbraw/zinc/71/93/12/963719312.db2.gz SOZXPCHHTYWPDX-UHFFFAOYSA-N -2 0 327.333 2.843 20 0 EFADRL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3cnccc32)s1 ZINC000314345762 963743155 /nfs/dbraw/zinc/74/31/55/963743155.db2.gz NHBIQHNNHWJOQS-UHFFFAOYSA-N -2 0 334.378 2.795 20 0 EFADRL Cc1nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])s3)ccc2o1 ZINC000314695899 963792813 /nfs/dbraw/zinc/79/28/13/963792813.db2.gz JCLNXSYSAKKNMS-UHFFFAOYSA-N -2 0 338.366 2.697 20 0 EFADRL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc(F)c(C#N)c1 ZINC000318580998 970449497 /nfs/dbraw/zinc/44/94/97/970449497.db2.gz QQXHJQWOIQHCCJ-UHFFFAOYSA-N -2 0 340.357 2.566 20 0 EFADRL Cc1oc(C)c(S(=O)(=O)[N-]c2ncc(Cl)cc2C)c1C(=O)[O-] ZINC000319892006 970585364 /nfs/dbraw/zinc/58/53/64/970585364.db2.gz KYPRHHATRWAPIB-UHFFFAOYSA-N -2 0 344.776 2.752 20 0 EFADRL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1-c1cccs1 ZINC000320256585 970638060 /nfs/dbraw/zinc/63/80/60/970638060.db2.gz YQOULIBWLXIATG-UHFFFAOYSA-N -2 0 349.393 2.637 20 0 EFADRL COc1cc(F)ccc1[N-]S(=O)(=O)c1c(C)oc(C)c1C(=O)[O-] ZINC000320360077 970652994 /nfs/dbraw/zinc/65/29/94/970652994.db2.gz GYPSQXJNABKNQV-UHFFFAOYSA-N -2 0 343.332 2.543 20 0 EFADRL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cn2)c1C ZINC000320791429 970716146 /nfs/dbraw/zinc/71/61/46/970716146.db2.gz KYDGLEKMYLWONQ-UHFFFAOYSA-N -2 0 334.397 2.814 20 0 EFADRL O=C([O-])C1(C(=O)Nc2cc(Cl)c([O-])cc2F)CCSCC1 ZINC001605934159 972862905 /nfs/dbraw/zinc/86/29/05/972862905.db2.gz AJNKSDLDGVFGIE-UHFFFAOYSA-N -2 0 333.768 2.721 20 0 EFADRL O=C([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCCC2(F)F)c1 ZINC000398199092 973080623 /nfs/dbraw/zinc/08/06/23/973080623.db2.gz OYORWAFBGQUBKW-SNVBAGLBSA-N -2 0 339.747 2.504 20 0 EFADRL O=C([O-])Cc1ccccc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC001606313075 973730483 /nfs/dbraw/zinc/73/04/83/973730483.db2.gz MSTUWSIQNKMFQY-AWEZNQCLSA-N -2 0 327.336 2.511 20 0 EFADRL O=C([O-])[C@@H]1CN(C(=O)c2cccc(Cl)c2[O-])C[C@H]1c1ccccc1 ZINC001606427282 973871779 /nfs/dbraw/zinc/87/17/79/973871779.db2.gz BFAIFKWLAPQGLB-UONOGXRCSA-N -2 0 345.782 2.986 20 0 EFADRL CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001591777934 975933313 /nfs/dbraw/zinc/93/33/13/975933313.db2.gz BZHWSAYMQKPYEN-UHFFFAOYSA-N -2 0 343.332 2.705 20 0 EFADRL C[C@@H](CCC(C)(C)C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001592477457 978243817 /nfs/dbraw/zinc/24/38/17/978243817.db2.gz JRFDQESXUHNIRP-NSHDSACASA-N -2 0 341.429 2.652 20 0 EFADRL C[C@H](CN(C)C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-])C(=O)[O-] ZINC001592574737 978473768 /nfs/dbraw/zinc/47/37/68/978473768.db2.gz PEUZCLKIXGWMHJ-SSDOTTSWSA-N -2 0 348.277 2.588 20 0 EFADRL C[C@H](CN(C)C(=O)Nc1sc(C(C)(C)C)cc1C(=O)[O-])C(=O)[O-] ZINC001592576156 978482896 /nfs/dbraw/zinc/48/28/96/978482896.db2.gz UDXXHDZMNBJVDO-MRVPVSSYSA-N -2 0 342.417 2.928 20 0 EFADRL C[C@H](CN(Cc1ccccc1)C(=O)c1cccc(F)c1[O-])C(=O)[O-] ZINC001592605837 978552610 /nfs/dbraw/zinc/55/26/10/978552610.db2.gz NEMWTEYYBXOQRB-GFCCVEGCSA-N -2 0 331.343 2.894 20 0 EFADRL O=C([O-])Nc1ccc(CCNC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000740023003 978663327 /nfs/dbraw/zinc/66/33/27/978663327.db2.gz IVEJIHANNXKVHD-UHFFFAOYSA-N -2 0 336.294 2.733 20 0 EFADRL Cc1cc([N-]S(=O)(=O)c2sc(C)nc2C)sc1C(=O)[O-] ZINC000832995982 979066421 /nfs/dbraw/zinc/06/64/21/979066421.db2.gz NWIWYXKIHGNSES-UHFFFAOYSA-N -2 0 332.428 2.629 20 0 EFADRL C[C@](CNC(=O)c1ccc(Cl)c([O-])c1)(C(=O)[O-])c1ccccc1 ZINC001592697523 979153587 /nfs/dbraw/zinc/15/35/87/979153587.db2.gz UWEHKOSPUUZIOQ-QGZVFWFLSA-N -2 0 333.771 2.818 20 0 EFADRL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1O ZINC000833317940 979155574 /nfs/dbraw/zinc/15/55/74/979155574.db2.gz PUMOOJGGXAJCRS-UHFFFAOYSA-N -2 0 327.745 2.545 20 0 EFADRL CCC(CC)(CC(=O)Nc1cc(COC)cc(C(=O)[O-])c1)C(=O)[O-] ZINC001595047768 979260086 /nfs/dbraw/zinc/26/00/86/979260086.db2.gz IJLHCMQJMONWOP-UHFFFAOYSA-N -2 0 337.372 2.751 20 0 EFADRL C[C@H](Cc1ccc(NC(=O)[C@@]2(C(=O)[O-])CC=CCC2)cc1)C(=O)[O-] ZINC001592858652 979674778 /nfs/dbraw/zinc/67/47/78/979674778.db2.gz SEILERZSDABMJQ-KZULUSFZSA-N -2 0 331.368 2.699 20 0 EFADRL CC[C@@](CNC(=O)c1cccc(F)c1[O-])(C(=O)[O-])c1ccccc1 ZINC001595164504 979707276 /nfs/dbraw/zinc/70/72/76/979707276.db2.gz WRCFGWMBXHPIAW-SFHVURJKSA-N -2 0 331.343 2.694 20 0 EFADRL CCC[C@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001595575136 981494653 /nfs/dbraw/zinc/49/46/53/981494653.db2.gz XKFDXDXYZSIJHT-VIFPVBQESA-N -2 0 347.820 2.534 20 0 EFADRL CCC[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595585856 981527264 /nfs/dbraw/zinc/52/72/64/981527264.db2.gz GLRVQWWLKKVVTI-NSHDSACASA-N -2 0 345.417 2.554 20 0 EFADRL CCC[C@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595585855 981527323 /nfs/dbraw/zinc/52/73/23/981527323.db2.gz GLRVQWWLKKVVTI-LLVKDONJSA-N -2 0 345.417 2.554 20 0 EFADRL CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC001595669230 982113503 /nfs/dbraw/zinc/11/35/03/982113503.db2.gz GKWUQPBXCVTCBS-LLVKDONJSA-N -2 0 345.417 2.698 20 0 EFADRL CCCCc1cnc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)nc1 ZINC001595797874 982609072 /nfs/dbraw/zinc/60/90/72/982609072.db2.gz UZZUPAMUIXAUDY-UHFFFAOYSA-N -2 0 349.412 2.627 20 0 EFADRL CCCN(CC(=O)[O-])C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC001595853222 982781408 /nfs/dbraw/zinc/78/14/08/982781408.db2.gz QPUBAPOGAHFJON-UHFFFAOYSA-N -2 0 341.363 2.989 20 0 EFADRL CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001595009361 982934570 /nfs/dbraw/zinc/93/45/70/982934570.db2.gz WIKLCFAWLRUDRQ-SNVBAGLBSA-N -2 0 339.369 2.956 20 0 EFADRL CCN(Cc1csc(-c2cccc(C(=O)[O-])c2)n1)[C@@H](C)C(=O)[O-] ZINC001596378672 983898113 /nfs/dbraw/zinc/89/81/13/983898113.db2.gz ZBBZPOQXJIULGM-JTQLQIEISA-N -2 0 334.397 2.803 20 0 EFADRL C[C@H]1CN(C(=O)c2cc(Cl)c3ccccc3c2[O-])C[C@@H](C(=O)[O-])O1 ZINC001599923954 985175467 /nfs/dbraw/zinc/17/54/67/985175467.db2.gz PMXAMGDLTTZVGS-XPTSAGLGSA-N -2 0 349.770 2.513 20 0 EFADRL C[C@@H]1CN(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC[C@H]1C(=O)[O-] ZINC001594479109 985511736 /nfs/dbraw/zinc/51/17/36/985511736.db2.gz SVHVSZZDWAMSCK-PSASIEDQSA-N -2 0 340.763 2.613 20 0 EFADRL C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])CC[C@H]1C(=O)[O-] ZINC001594479337 985515020 /nfs/dbraw/zinc/51/50/20/985515020.db2.gz VXTLQZADYUAZQX-PSASIEDQSA-N -2 0 340.763 2.613 20 0 EFADRL Cc1[nH]c(C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)c(C)c1C(=O)[O-] ZINC001599953785 985653549 /nfs/dbraw/zinc/65/35/49/985653549.db2.gz KZQSUOTWRQDFQW-UHFFFAOYSA-N -2 0 340.339 2.678 20 0 EFADRL Cc1[nH]c(C(=O)[O-])cc1C([O-])=CS(=O)(=O)C(C)(C)c1ccccc1 ZINC001599960068 985764141 /nfs/dbraw/zinc/76/41/41/985764141.db2.gz FFNJEWYCQPBUAD-UHFFFAOYSA-N -2 0 349.408 2.554 20 0 EFADRL CC(=O)c1cc(F)c([O-])c(NC(=O)c2ccsc2CC(=O)[O-])c1 ZINC001589271332 985973111 /nfs/dbraw/zinc/97/31/11/985973111.db2.gz ZBGVAMVTAZVLBP-UHFFFAOYSA-N -2 0 337.328 2.675 20 0 EFADRL CCOc1ccc(S(=O)(=O)[N-]c2sc(C)cc2C(=O)[O-])cc1 ZINC001597137642 986876948 /nfs/dbraw/zinc/87/69/48/986876948.db2.gz NYMHQRSBISXWJG-UHFFFAOYSA-N -2 0 341.410 2.954 20 0 EFADRL CCOc1cccc(S(=O)(=O)[N-]c2cc(C)sc2C(=O)[O-])c1 ZINC001597164051 986977468 /nfs/dbraw/zinc/97/74/68/986977468.db2.gz WHJMAPNPSLTUQM-UHFFFAOYSA-N -2 0 341.410 2.954 20 0 EFADRL CCc1ccc(C)nc1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC001597514035 988117205 /nfs/dbraw/zinc/11/72/05/988117205.db2.gz HPSMVDJDMFQHTJ-UHFFFAOYSA-N -2 0 326.399 2.513 20 0 EFADRL CCc1ccc(C)nc1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001597514626 988122169 /nfs/dbraw/zinc/12/21/69/988122169.db2.gz REUWXQAXLUGLKU-UHFFFAOYSA-N -2 0 338.360 2.591 20 0 EFADRL CC(C)(C)OC(=O)C1(C(=O)[N-]OCCCC(=O)[O-])CCCCCC1 ZINC001589851583 988379090 /nfs/dbraw/zinc/37/90/90/988379090.db2.gz HQAHGAIAFSPSJC-UHFFFAOYSA-N -2 0 343.420 2.581 20 0 EFADRL CCc1cccc(CC)c1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001597585784 988398345 /nfs/dbraw/zinc/39/83/45/988398345.db2.gz WIOQJNZVJBDQAV-UHFFFAOYSA-N -2 0 334.397 2.705 20 0 EFADRL CSc1ccc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)cc1 ZINC001599820407 988504486 /nfs/dbraw/zinc/50/44/86/988504486.db2.gz XPYLZPKHPJUZFS-UHFFFAOYSA-N -2 0 338.410 2.611 20 0 EFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(C)ccnc1CC ZINC001597703689 988942338 /nfs/dbraw/zinc/94/23/38/988942338.db2.gz VNFRALPDANFARJ-UHFFFAOYSA-N -2 0 338.385 2.607 20 0 EFADRL CCc1ncsc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC001597711977 988972913 /nfs/dbraw/zinc/97/29/13/988972913.db2.gz JJPJTEVKKWPOPK-UHFFFAOYSA-N -2 0 344.389 2.652 20 0 EFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1C1CC1 ZINC001597791158 989319666 /nfs/dbraw/zinc/31/96/66/989319666.db2.gz MLXQAHPIGIABCI-UHFFFAOYSA-N -2 0 336.369 2.613 20 0 EFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc2ccn(C)c21 ZINC001597791284 989321112 /nfs/dbraw/zinc/32/11/12/989321112.db2.gz PCNDTBGHDDLKTN-UHFFFAOYSA-N -2 0 348.380 2.833 20 0 EFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ncsc1C(C)C ZINC001597791688 989325068 /nfs/dbraw/zinc/32/50/68/989325068.db2.gz QJDHDUXCABYONM-UHFFFAOYSA-N -2 0 344.414 2.921 20 0 EFADRL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)on1 ZINC001590461575 990029937 /nfs/dbraw/zinc/02/99/37/990029937.db2.gz DLSZOOWOFVWRPI-UHFFFAOYSA-N -2 0 342.348 2.610 20 0 EFADRL CC(C)(SCC(=O)[O-])C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC001590906736 990870811 /nfs/dbraw/zinc/87/08/11/990870811.db2.gz BUVXKMQVCAOLMD-UHFFFAOYSA-N -2 0 331.777 2.573 20 0 EFADRL COc1ccsc1S(=O)(=O)[N-]c1cccc([C@H](C)C(=O)[O-])c1 ZINC001599722391 991562216 /nfs/dbraw/zinc/56/22/16/991562216.db2.gz IGAVRFNZQAPMQY-VIFPVBQESA-N -2 0 341.410 2.746 20 0 EFADRL CC(C)CCCCCC(=O)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001591236833 992120006 /nfs/dbraw/zinc/12/00/06/992120006.db2.gz QITMJGQSGTYABU-TXKKKEFDSA-N -2 0 339.432 2.617 20 0 EFADRL CC(C)C[C@H](CNC(=O)Nc1ccc(C(=O)[O-])cc1F)CC(=O)[O-] ZINC001591448334 992551627 /nfs/dbraw/zinc/55/16/27/992551627.db2.gz JXCCUILXPPRGHS-JTQLQIEISA-N -2 0 340.351 2.782 20 0 EFADRL CC(C)N(CC(=O)[O-])Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001591569606 992773982 /nfs/dbraw/zinc/77/39/82/992773982.db2.gz WMCXZCFAVSALQD-UHFFFAOYSA-N -2 0 334.397 2.803 20 0 EFADRL COc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)c(C(=O)[O-])c1 ZINC001599590395 993672481 /nfs/dbraw/zinc/67/24/81/993672481.db2.gz WBYYDRXCXPPDPX-UHFFFAOYSA-N -2 0 335.356 2.757 20 0 EFADRL C[C@@H](Oc1ccc(NC(=O)c2c([O-])cccc2F)cc1F)C(=O)[O-] ZINC001593631780 995917080 /nfs/dbraw/zinc/91/70/80/995917080.db2.gz MBQATFMNIFINBU-MRVPVSSYSA-N -2 0 337.278 2.775 20 0 EFADRL COCCNC(=S)[N-]c1ccc(Cl)cc1SCCC(=O)[O-] ZINC001599244247 998111239 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EFADRL CC[C@](NC(=O)c1s[n-]c(=O)c1Cl)(C(=O)[O-])c1ccccc1 ZINC001595277657 980307014 /nfs/dbraw/zinc/30/70/14/980307014.db2.gz XGVXAKUEZMOKSA-CQSZACIVSA-N -2 0 340.788 2.622 20 0 EFADRL CCC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001595570689 981475058 /nfs/dbraw/zinc/47/50/58/981475058.db2.gz IHADDLZGOQNJOK-SECBINFHSA-N -2 0 347.820 2.669 20 0 EFADRL CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001595575135 981494456 /nfs/dbraw/zinc/49/44/56/981494456.db2.gz XKFDXDXYZSIJHT-SECBINFHSA-N -2 0 347.820 2.534 20 0 EFADRL CCC[C@H](CC)C(=O)[N-]S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001595585910 981527221 /nfs/dbraw/zinc/52/72/21/981527221.db2.gz IKNQQMSIGXRMAQ-VIFPVBQESA-N -2 0 347.820 2.669 20 0 EFADRL CCC[C@@H](CC(C)C)C(=O)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001595586014 981528615 /nfs/dbraw/zinc/52/86/15/981528615.db2.gz LXAGIUOHXGLJQP-LBPRGKRZSA-N -2 0 341.429 2.652 20 0 EFADRL CC[C@@](C)(CC(=O)[O-])NC(=O)c1cccc(Br)c1[O-] ZINC001594823409 981975998 /nfs/dbraw/zinc/97/59/98/981975998.db2.gz AYSJNBDNBPKQIY-ZDUSSCGKSA-N -2 0 330.178 2.528 20 0 EFADRL CCCCC[C@@H](CC)C(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001595670695 982120157 /nfs/dbraw/zinc/12/01/57/982120157.db2.gz UDIOMFPQDAZFDA-SNVBAGLBSA-N -2 0 347.458 2.858 20 0 EFADRL CC[C@H](C)CCC(=O)[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC001594958893 982701269 /nfs/dbraw/zinc/70/12/69/982701269.db2.gz YHKNCHIFXRPPHS-VIFPVBQESA-N -2 0 347.820 2.669 20 0 EFADRL CCCOc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001595973859 983196449 /nfs/dbraw/zinc/19/64/49/983196449.db2.gz FLGYYJIBAPMOAO-UHFFFAOYSA-N -2 0 325.342 2.567 20 0 EFADRL CCCc1ccc(C([O-])=CS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC001596060553 983369490 /nfs/dbraw/zinc/36/94/90/983369490.db2.gz JOZZRINHPDUTPS-UHFFFAOYSA-N -2 0 346.404 2.994 20 0 EFADRL CCCc1csc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)n1 ZINC001596074746 983389977 /nfs/dbraw/zinc/38/99/77/983389977.db2.gz LABJEKCEZQIGAR-UHFFFAOYSA-N -2 0 344.389 2.734 20 0 EFADRL C[C@H]1CC[C@@H](C(=O)[O-])N1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001599906968 984936643 /nfs/dbraw/zinc/93/66/43/984936643.db2.gz WIXTZAAOGLFMAP-HZMBPMFUSA-N -2 0 346.408 2.946 20 0 EFADRL C[C@@H]1CN(C(=O)Nc2cc(Cl)ccc2C(=O)[O-])CC[C@@H]1C(=O)[O-] ZINC001594479338 985514778 /nfs/dbraw/zinc/51/47/78/985514778.db2.gz VXTLQZADYUAZQX-SCZZXKLOSA-N -2 0 340.763 2.613 20 0 EFADRL C[C@@H]1CN(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CC[C@H]1C(=O)[O-] ZINC001594481662 985530195 /nfs/dbraw/zinc/53/01/95/985530195.db2.gz YJGLRKJXOOALTB-PSASIEDQSA-N -2 0 340.763 2.613 20 0 EFADRL C[C@H]1CN(C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CC[C@@H]1C(=O)[O-] ZINC001594481665 985530635 /nfs/dbraw/zinc/53/06/35/985530635.db2.gz YJGLRKJXOOALTB-WPRPVWTQSA-N -2 0 340.763 2.613 20 0 EFADRL CC(=O)c1c(C)cccc1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001589255581 985893458 /nfs/dbraw/zinc/89/34/58/985893458.db2.gz YIIQWAZICOCEEJ-UHFFFAOYSA-N -2 0 337.353 2.598 20 0 EFADRL C[C@H](C(=O)[N-]OCCCC(=O)[O-])c1ccc(Br)s1 ZINC001589424051 986686230 /nfs/dbraw/zinc/68/62/30/986686230.db2.gz RAXQEONJXKWVSO-ZETCQYMHSA-N -2 0 336.207 2.527 20 0 EFADRL C[C@@H](C(=O)[O-])[C@H](NC(=O)Cc1ccccc1C(=O)[O-])c1ccccc1 ZINC001589459183 986907859 /nfs/dbraw/zinc/90/78/59/986907859.db2.gz XAVVYPNOXLMJAP-PXAZEXFGSA-N -2 0 341.363 2.506 20 0 EFADRL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2[O-])C1 ZINC001589611741 987467550 /nfs/dbraw/zinc/46/75/50/987467550.db2.gz VSDGLJZRRAAYQT-VIFPVBQESA-N -2 0 327.327 2.633 20 0 EFADRL CCc1ccc(O)c([N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])c1 ZINC001597556484 988290296 /nfs/dbraw/zinc/29/02/96/988290296.db2.gz OMLFUUUKKASVDZ-UHFFFAOYSA-N -2 0 341.410 2.824 20 0 EFADRL CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccnn1C1CCC1 ZINC001597578326 988372536 /nfs/dbraw/zinc/37/25/36/988372536.db2.gz AGDBYRIOEFIZHB-UHFFFAOYSA-N -2 0 349.412 2.670 20 0 EFADRL CCc1ccccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1OC ZINC001597621666 988551784 /nfs/dbraw/zinc/55/17/84/988551784.db2.gz PLYLZFNDCLPDPG-UHFFFAOYSA-N -2 0 335.381 2.757 20 0 EFADRL CCc1nc([N-]S(=O)(=O)c2ccccc2Cl)sc1C(=O)[O-] ZINC001597685376 988832734 /nfs/dbraw/zinc/83/27/34/988832734.db2.gz LOZANAQBPTWKKW-UHFFFAOYSA-N -2 0 346.817 2.858 20 0 EFADRL CCc1ncc(S(=O)(=O)[N-]c2cc(C(=O)[O-])sc2C)s1 ZINC001597702352 988928513 /nfs/dbraw/zinc/92/85/13/988928513.db2.gz DSJDEDVEWVPTJI-UHFFFAOYSA-N -2 0 332.428 2.574 20 0 EFADRL CCc1nccc(C)c1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001597702677 988932260 /nfs/dbraw/zinc/93/22/60/988932260.db2.gz DCCNTCYFNRSCFY-UHFFFAOYSA-N -2 0 338.360 2.591 20 0 EFADRL CCc1nccc(C)c1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001597703505 988941460 /nfs/dbraw/zinc/94/14/60/988941460.db2.gz QGIRZOXICHMJSE-UHFFFAOYSA-N -2 0 338.360 2.591 20 0 EFADRL CCc1ncsc1[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC001597712133 988974496 /nfs/dbraw/zinc/97/44/96/988974496.db2.gz NAJLAGXXDGRTOA-UHFFFAOYSA-N -2 0 344.389 2.652 20 0 EFADRL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)cc1OC ZINC001597785731 989306799 /nfs/dbraw/zinc/30/67/99/989306799.db2.gz QHGSGXCYIIIYRC-UHFFFAOYSA-N -2 0 339.369 2.658 20 0 EFADRL CC(C)(C)c1ccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)cc1 ZINC001590493334 990095915 /nfs/dbraw/zinc/09/59/15/990095915.db2.gz JXCZCIWBCJCJAJ-UHFFFAOYSA-N -2 0 334.397 2.878 20 0 EFADRL CC(C)(C)c1nc(NC(=O)[C@]2(C(=O)[O-])CC2(C)C)sc1C(=O)[O-] ZINC001590542533 990173748 /nfs/dbraw/zinc/17/37/48/990173748.db2.gz ZADPQQMNWXQZNY-HNNXBMFYSA-N -2 0 340.401 2.578 20 0 EFADRL CC(C)(C)c1nc([N-]S(=O)(=O)CCCCF)sc1C(=O)[O-] ZINC001590545533 990182562 /nfs/dbraw/zinc/18/25/62/990182562.db2.gz IPMSVJGATNNSJD-UHFFFAOYSA-N -2 0 338.426 2.630 20 0 EFADRL CN(C(=O)c1ccc(Cl)c([O-])c1)c1ccc(OCC(=O)[O-])cc1 ZINC001598085990 990416640 /nfs/dbraw/zinc/41/66/40/990416640.db2.gz XBLCPNVOTMLBCE-UHFFFAOYSA-N -2 0 335.743 2.786 20 0 EFADRL CN(C(=O)c1ccc2oc(=S)[n-]c2c1)C1(C(=O)[O-])CCCCC1 ZINC001598088856 990429358 /nfs/dbraw/zinc/42/93/58/990429358.db2.gz IIJIJOIGDLRCOY-UHFFFAOYSA-N -2 0 334.397 2.976 20 0 EFADRL CC(C)C[C@H](CNC(=O)Nc1cc(C(=O)[O-])ccc1F)CC(=O)[O-] ZINC001591448467 992552084 /nfs/dbraw/zinc/55/20/84/992552084.db2.gz LEBMJEDMKLYUKT-JTQLQIEISA-N -2 0 340.351 2.782 20 0 EFADRL C[C@@H](Oc1ccc(NC(=O)c2ccc(F)cc2[O-])cc1F)C(=O)[O-] ZINC001593634527 995926094 /nfs/dbraw/zinc/92/60/94/995926094.db2.gz SUIYJQVIJZXTOU-MRVPVSSYSA-N -2 0 337.278 2.775 20 0 EFADRL C[C@H](S[C@@H](C)C(=O)Nc1cc(Cl)ccc1C(=O)[O-])C(=O)[O-] ZINC001593658418 996031849 /nfs/dbraw/zinc/03/18/49/996031849.db2.gz FMJACFSHPKJPDB-BQBZGAKWSA-N -2 0 331.777 2.572 20 0 EFADRL C[C@H](S[C@@H](C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)C(=O)[O-] ZINC001593659466 996035502 /nfs/dbraw/zinc/03/55/02/996035502.db2.gz UBNAZBCBXCKIMC-BQBZGAKWSA-N -2 0 331.777 2.572 20 0 EFADRL COc1cc(CNC(=O)c2cccc(Cl)c2[O-])ccc1C(=O)[O-] ZINC001599414616 997482757 /nfs/dbraw/zinc/48/27/57/997482757.db2.gz XDIPROXTTLPVHI-UHFFFAOYSA-N -2 0 335.743 2.682 20 0 EFADRL COCC[C@H](Cc1cccc(-c2cncc(C(=O)[O-])c2)c1)C(=O)[O-] ZINC001599211889 997516373 /nfs/dbraw/zinc/51/63/73/997516373.db2.gz OMJCXFRDSQMLAO-CQSZACIVSA-N -2 0 329.352 2.727 20 0 EFADRL C[C@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)C[C@@H]1C(=O)[O-] ZINC001594402502 999508128 /nfs/dbraw/zinc/50/81/28/999508128.db2.gz BJLKZZHWKKKDBE-KWQFWETISA-N -2 0 340.763 2.613 20 0 EFADRL CC(C)(CCC(=O)[O-])C(=O)Nc1ccc(C2CC2)c(-c2nn[nH]n2)c1 ZINC001589272768 1093062731 /nfs/dbraw/zinc/06/27/31/1093062731.db2.gz PDTXOMIOLZWXQD-UHFFFAOYSA-N -2 0 343.387 2.574 20 0 EFADRL O=C(Nc1cccc(Cl)c1[O-])c1cccc(F)c1-c1nn[nH]n1 ZINC001593248351 1094252515 /nfs/dbraw/zinc/25/25/15/1094252515.db2.gz VWFXVUHSJZZROX-UHFFFAOYSA-N -2 0 333.710 2.617 20 0 EFADRL COc1cccc([C@H](NC(=O)c2cccc(Cl)c2[O-])C(=O)[O-])c1 ZINC001599687123 1094698645 /nfs/dbraw/zinc/69/86/45/1094698645.db2.gz UZRQMNZBWSTCEK-ZDUSSCGKSA-N -2 0 335.743 2.610 20 0 EFADRL Cc1c(C(=O)[O-])sc2[nH]c(-c3ccc(C(=O)[O-])cc3)nc(=O)c12 ZINC001600001839 1094712381 /nfs/dbraw/zinc/71/23/81/1094712381.db2.gz FHDAERGMUGCBAT-UHFFFAOYSA-N -2 0 330.321 2.769 20 0 EFADRL Cc1c(NC(=O)[C@H](CC(=O)[O-])CC(C)C)ccc(F)c1C(=O)[O-] ZINC001600031562 1094729325 /nfs/dbraw/zinc/72/93/25/1094729325.db2.gz XUIOUZOQPNQOSC-JTQLQIEISA-N -2 0 325.336 2.908 20 0 EFADRL Cc1c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)noc1C(C)(C)C ZINC001600055044 1094744104 /nfs/dbraw/zinc/74/41/04/1094744104.db2.gz WRXGNMAINQMUSX-UHFFFAOYSA-N -2 0 338.385 2.780 20 0 EFADRL Cc1cc(C(=O)[O-])ccc1NC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC001600123258 1094787269 /nfs/dbraw/zinc/78/72/69/1094787269.db2.gz CYRBTMBHIKNFFO-UHFFFAOYSA-N -2 0 337.335 2.837 20 0 EFADRL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc2c1OCC2 ZINC001600158757 1094820518 /nfs/dbraw/zinc/82/05/18/1094820518.db2.gz KHBSWSQORVDSAU-UHFFFAOYSA-N -2 0 347.392 2.737 20 0 EFADRL Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001600158722 1094821590 /nfs/dbraw/zinc/82/15/90/1094821590.db2.gz HVZQIMCKHJLBJG-UHFFFAOYSA-N -2 0 349.364 2.501 20 0 EFADRL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])n2)c1C ZINC001600160324 1094822842 /nfs/dbraw/zinc/82/28/42/1094822842.db2.gz 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O=C([O-])Nc1cc([N-]S(=O)(=O)c2c(F)cccc2F)ccc1F ZINC000740013027 600101742 /nfs/dbraw/zinc/10/17/42/600101742.db2.gz VTAKAXVDHUUBML-UHFFFAOYSA-N -2 0 346.286 2.995 20 0 EFADRL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1N(C)C ZINC000738463159 600105545 /nfs/dbraw/zinc/10/55/45/600105545.db2.gz AJUKDTCFBYDBKN-UHFFFAOYSA-N -2 0 340.426 2.622 20 0 EFADRL CSc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)nc1 ZINC000738211029 600247308 /nfs/dbraw/zinc/24/73/08/600247308.db2.gz FSKODOCTHBIDKB-UHFFFAOYSA-N -2 0 338.410 2.611 20 0 EFADRL Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)c1 ZINC000738606499 600302781 /nfs/dbraw/zinc/30/27/81/600302781.db2.gz DEFIPKLRJBKPII-UHFFFAOYSA-N -2 0 338.360 2.703 20 0 EFADRL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(-c2cccs2)[nH]n1 ZINC000740239579 600361425 /nfs/dbraw/zinc/36/14/25/600361425.db2.gz CMVAUVWYOFEJKB-UHFFFAOYSA-N -2 0 349.393 2.637 20 0 EFADRL O=C([O-])CCCOc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000739686316 600504248 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