smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1n[nH]cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000547545044 302260656 /nfs/dbraw/zinc/26/06/56/302260656.db2.gz AAXDXTXDGMLKEN-UHFFFAOYSA-N -2 2 325.302 0.915 20 0 ECADLL CCn1cc(S(=O)(=O)Nc2ccc(Cc3nn[nH]n3)cc2)cn1 ZINC000164218890 436931815 /nfs/dbraw/zinc/93/18/15/436931815.db2.gz JWOWVBKJJBBEBS-UHFFFAOYSA-N -2 2 333.377 0.808 20 0 ECADLL O=C([O-])Cn1cc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cn1 ZINC000739911612 579721794 /nfs/dbraw/zinc/72/17/94/579721794.db2.gz GKJCPVVGHAUQII-UHFFFAOYSA-N -2 2 331.331 0.528 20 0 ECADLL Cn1nc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000776425566 579281363 /nfs/dbraw/zinc/28/13/63/579281363.db2.gz CABCOLSSWLRRAM-UHFFFAOYSA-N -2 2 325.302 0.617 20 0 ECADLL Cn1nc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000776428408 579281380 /nfs/dbraw/zinc/28/13/80/579281380.db2.gz YUYAHYSTISDWRT-UHFFFAOYSA-N -2 2 325.302 0.617 20 0 ECADLL Cc1oc(S(=O)(=O)N[C@H](C)[C@H]2C[N@@H+](C)CCO2)cc1C(=O)[O-] ZINC000833027552 588514915 /nfs/dbraw/zinc/51/49/15/588514915.db2.gz GWGDEPDNLHEODZ-LDYMZIIASA-N -2 2 332.378 0.284 20 0 ECADLL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-] ZINC000536994364 302147412 /nfs/dbraw/zinc/14/74/12/302147412.db2.gz SWNFMKKGDVBIKP-UHFFFAOYSA-N -2 2 345.358 0.987 20 0 ECADLL Cn1nc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000776428460 579281316 /nfs/dbraw/zinc/28/13/16/579281316.db2.gz ZRYMICRZVQDKDM-UHFFFAOYSA-N -2 2 343.292 0.756 20 0 ECADLL CN(C)c1ncc(NS(=O)(=O)c2ccc3c(c2)C(=O)NC3=O)cn1 ZINC000443461882 211017267 /nfs/dbraw/zinc/01/72/67/211017267.db2.gz FRCSGXOHZCWVHU-UHFFFAOYSA-N -2 2 347.356 0.227 20 0 ECADLL N#Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c(F)c1 ZINC000547548237 302260865 /nfs/dbraw/zinc/26/08/65/302260865.db2.gz JUVWZGNGUYROBZ-NSHDSACASA-N -2 2 338.320 0.395 20 0 ECADLL Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Cc2nn[nH]n2)cc1 ZINC000164341952 436931431 /nfs/dbraw/zinc/93/14/31/436931431.db2.gz VLBKWFBWVSQNIW-UHFFFAOYSA-N -2 2 333.377 0.931 20 0 ECADLL O=c1nc2[nH]cc(S(=O)(=O)NCc3ncccc3O)cc-2c(=O)[nH]1 ZINC000360029301 437505723 /nfs/dbraw/zinc/50/57/23/437505723.db2.gz LWXCSRGVZFZZSN-UHFFFAOYSA-N -2 2 349.328 0.015 20 0 ECADLL Cc1cc(C(=O)N2CC[NH2+]C[C@H]2C(F)F)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000581669101 439240401 /nfs/dbraw/zinc/24/04/01/439240401.db2.gz DHLWLSUSDCUCLB-QMMMGPOBSA-N -2 2 339.302 0.424 20 0 ECADLL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000738546080 579637692 /nfs/dbraw/zinc/63/76/92/579637692.db2.gz CYDGSYNUJHEODY-UHFFFAOYSA-N -2 2 339.329 0.775 20 0 ECADLL Cc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000738635902 579643064 /nfs/dbraw/zinc/64/30/64/579643064.db2.gz HSUBYHMNMKSSBB-UHFFFAOYSA-N -2 2 339.329 0.775 20 0 ECADLL Cc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000320091219 600671344 /nfs/dbraw/zinc/67/13/44/600671344.db2.gz UWQYUVBBJJPSDL-UHFFFAOYSA-N -2 2 339.329 0.775 20 0 ECADLL O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc(F)c(C(=O)[O-])c2)cn1 ZINC000319688418 600673239 /nfs/dbraw/zinc/67/32/39/600673239.db2.gz WFWWJSJNWYPFCW-UHFFFAOYSA-N -2 2 343.292 0.606 20 0 ECADLL Cc1oc(S(=O)(=O)N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)cc1C(=O)[O-] ZINC000833027546 588515067 /nfs/dbraw/zinc/51/50/67/588515067.db2.gz GWGDEPDNLHEODZ-GZMMTYOYSA-N -2 2 332.378 0.284 20 0 ECADLL CS(=O)(=O)Nc1nnc(NC(=O)c2cn3cccnc3n2)s1 ZINC000516138752 438892540 /nfs/dbraw/zinc/89/25/40/438892540.db2.gz LYJPWHWFDYBEEN-UHFFFAOYSA-N -2 2 339.362 0.205 20 0 ECADLL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC000776426414 579281311 /nfs/dbraw/zinc/28/13/11/579281311.db2.gz KEVZMIPGTHHVIP-UHFFFAOYSA-N -2 2 339.329 0.926 20 0 ECADLL Cn1nc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000821090041 587572797 /nfs/dbraw/zinc/57/27/97/587572797.db2.gz QSHICKLGVSGZLI-UHFFFAOYSA-N -2 2 343.292 0.756 20 0 ECADLL Cn1nc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000821089484 587572929 /nfs/dbraw/zinc/57/29/29/587572929.db2.gz JSHYSXIDBFMSMA-UHFFFAOYSA-N -2 2 331.331 0.679 20 0 ECADLL O=C([O-])Cn1cc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cn1 ZINC000833274649 588532918 /nfs/dbraw/zinc/53/29/18/588532918.db2.gz KHUFOOHHXRTIIS-UHFFFAOYSA-N -2 2 343.292 0.606 20 0 ECADLL CC(C)n1cnc(S(=O)(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1 ZINC000547548583 302260824 /nfs/dbraw/zinc/26/08/24/302260824.db2.gz SNAQKTSNAVNMDN-JTQLQIEISA-N -2 2 327.366 0.161 20 0 ECADLL O=C([O-])Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cn1 ZINC000833275206 588533063 /nfs/dbraw/zinc/53/30/63/588533063.db2.gz URNGKMVSQHTGDJ-UHFFFAOYSA-N -2 2 341.301 0.172 20 0 ECADLL COc1csc(C(=O)Nc2nnc(NS(C)(=O)=O)s2)c1 ZINC000352298684 438407843 /nfs/dbraw/zinc/40/78/43/438407843.db2.gz AEKGBJFKVPRYIX-UHFFFAOYSA-N -2 2 334.404 1.232 20 0 ECADLL C[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])co1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656181272 440741413 /nfs/dbraw/zinc/74/14/13/440741413.db2.gz VZYMLPTYYHSMPP-MXWKQRLJSA-N -2 2 346.405 0.754 20 0 ECADLL CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000906863557 586990830 /nfs/dbraw/zinc/99/08/30/586990830.db2.gz ORQYHVWIDHNGCJ-GFCCVEGCSA-N -2 2 340.401 0.948 20 0 ECADLL O=C([O-])Cn1cc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])cn1 ZINC000833274116 588532682 /nfs/dbraw/zinc/53/26/82/588532682.db2.gz QHBYKUQISGAYPK-UHFFFAOYSA-N -2 2 343.292 0.606 20 0 ECADLL Cc1cc(=O)n2nc(NS(=O)(=O)c3ccc(F)c(F)c3)[nH]c2n1 ZINC000176416112 437142651 /nfs/dbraw/zinc/14/26/51/437142651.db2.gz SPXUGBXTLQKEQD-UHFFFAOYSA-N -2 2 341.299 0.805 20 0 ECADLL O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccn(CC(=O)[O-])n2)cc1 ZINC000833267584 588532197 /nfs/dbraw/zinc/53/21/97/588532197.db2.gz DQPKKICTCOKMII-UHFFFAOYSA-N -2 2 339.329 0.396 20 0 ECADLL O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1cc(F)ccc1F ZINC000314331086 437174923 /nfs/dbraw/zinc/17/49/23/437174923.db2.gz DEDRQFZGANSENZ-SNVBAGLBSA-N -2 2 331.300 0.662 20 0 ECADLL O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1cc(F)ccc1F ZINC000314331086 437174925 /nfs/dbraw/zinc/17/49/25/437174925.db2.gz DEDRQFZGANSENZ-SNVBAGLBSA-N -2 2 331.300 0.662 20 0 ECADLL Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000329115239 437320775 /nfs/dbraw/zinc/32/07/75/437320775.db2.gz MQADBOWSHQMRSI-VHSXEESVSA-N -2 2 331.376 0.909 20 0 ECADLL CS(=O)(=O)c1nnc(NC(=O)c2ccc(NC(=O)[O-])cc2O)[n-]1 ZINC000740003759 579727009 /nfs/dbraw/zinc/72/70/09/579727009.db2.gz AIOUTGSXVDMJGT-UHFFFAOYSA-N -2 2 341.305 0.256 20 0 ECADLL COCC[N@@H+]1CCC[C@H](NS(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000833725056 588563387 /nfs/dbraw/zinc/56/33/87/588563387.db2.gz YYUDDDNWASHJDA-VIFPVBQESA-N -2 2 349.434 0.230 20 0 ECADLL Cc1c(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cccc1C(=O)[O-] ZINC000319533381 600674692 /nfs/dbraw/zinc/67/46/92/600674692.db2.gz BFEKRHMDMNHBRE-UHFFFAOYSA-N -2 2 339.329 0.775 20 0 ECADLL O=C([O-])Cn1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC000739921621 579722508 /nfs/dbraw/zinc/72/25/08/579722508.db2.gz WRZDRIGLXFEGNJ-UHFFFAOYSA-N -2 2 331.331 0.528 20 0 ECADLL COc1n[nH]c(NC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)n1 ZINC000860535999 589780719 /nfs/dbraw/zinc/78/07/19/589780719.db2.gz YWNLQXPDBLXZGN-UHFFFAOYSA-N -2 2 333.226 0.837 20 0 ECADLL COCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000906943619 586996953 /nfs/dbraw/zinc/99/69/53/586996953.db2.gz BHRKUVNFXDPXHB-SNVBAGLBSA-N -2 2 334.419 0.445 20 0 ECADLL O=C(c1cc(F)cc2n[nH]nc21)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000581072901 439165412 /nfs/dbraw/zinc/16/54/12/439165412.db2.gz APNGUFZVSOFANA-ZETCQYMHSA-N -2 2 331.311 0.941 20 0 ECADLL O=C(c1cc(F)cc2nn[nH]c21)N1CCC[C@H](c2n[nH]c(=O)[nH]2)C1 ZINC000581072901 439165419 /nfs/dbraw/zinc/16/54/19/439165419.db2.gz APNGUFZVSOFANA-ZETCQYMHSA-N -2 2 331.311 0.941 20 0 ECADLL Cc1cc(F)c(S(=O)(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1F ZINC000547873425 322141092 /nfs/dbraw/zinc/14/10/92/322141092.db2.gz IHSVYOYELMKJPM-LLVKDONJSA-N -2 2 345.327 0.971 20 0 ECADLL C[C@@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)OCc1n[nH]c(=O)[nH]1 ZINC000824738561 587891832 /nfs/dbraw/zinc/89/18/32/587891832.db2.gz QGHOXXVFRHLEIX-SSDOTTSWSA-N -2 2 331.292 0.201 20 0 ECADLL Cn1ncc(NS(=O)(=O)c2cccc(CC(=O)[O-])c2)c1C(=O)[O-] ZINC000569979675 322671815 /nfs/dbraw/zinc/67/18/15/322671815.db2.gz YCOCAWQYNHJOOA-UHFFFAOYSA-N -2 2 339.329 0.546 20 0 ECADLL Cc1oc(S(=O)(=O)N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1C(=O)[O-] ZINC000833027550 588515059 /nfs/dbraw/zinc/51/50/59/588515059.db2.gz GWGDEPDNLHEODZ-KWQFWETISA-N -2 2 332.378 0.284 20 0 ECADLL Cc1cc(C(=O)NCC[N@H+]2CCCOCC2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000275740558 437008630 /nfs/dbraw/zinc/00/86/30/437008630.db2.gz BWHGMJOMQKFEAB-UHFFFAOYSA-N -2 2 347.375 0.197 20 0 ECADLL Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1C(=O)[O-] ZINC000833050025 588516689 /nfs/dbraw/zinc/51/66/89/588516689.db2.gz CMCBLGUGHWSVNM-UHFFFAOYSA-N -2 2 340.313 0.928 20 0 ECADLL O=C([O-])Cc1ccc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)cc1 ZINC000833267589 588532220 /nfs/dbraw/zinc/53/22/20/588532220.db2.gz HJXIEBDWIJRPDP-UHFFFAOYSA-N -2 2 339.329 0.396 20 0 ECADLL COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)[O-])ccc1OCC(=O)[O-] ZINC000737872421 578534403 /nfs/dbraw/zinc/53/44/03/578534403.db2.gz PHRIAQYIFPNCDY-CYBMUJFWSA-N -2 2 336.300 0.871 20 0 ECADLL C[C@H](CNS(=O)(=O)c1ccc(C(=O)[O-])o1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656180689 440741566 /nfs/dbraw/zinc/74/15/66/440741566.db2.gz LXDRHCOTUOWAFT-MXWKQRLJSA-N -2 2 346.405 0.754 20 0 ECADLL Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(Cc2nn[nH]n2)cc1 ZINC000133596120 436881127 /nfs/dbraw/zinc/88/11/27/436881127.db2.gz FGAZGVFPSWVCFT-UHFFFAOYSA-N -2 2 347.404 0.942 20 0 ECADLL CSc1nc(C)c(CCC(=O)NC(C)(C)c2nn[nH]n2)c(=O)[nH]1 ZINC000359781266 438495930 /nfs/dbraw/zinc/49/59/30/438495930.db2.gz FNXSLCUDKZZYED-UHFFFAOYSA-N -2 2 337.409 0.710 20 0 ECADLL O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c[nH]1 ZINC000436994377 438437218 /nfs/dbraw/zinc/43/72/18/438437218.db2.gz MDASIFUKGVMMTK-UHFFFAOYSA-N -2 2 326.286 0.918 20 0 ECADLL Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC000340236192 321027063 /nfs/dbraw/zinc/02/70/63/321027063.db2.gz RFGUFHUNLCQENL-UHFFFAOYSA-N -2 2 325.302 0.617 20 0 ECADLL O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NS(=O)(=O)c1cc(F)ccc1F ZINC000314331083 437173682 /nfs/dbraw/zinc/17/36/82/437173682.db2.gz DEDRQFZGANSENZ-JTQLQIEISA-N -2 2 331.300 0.662 20 0 ECADLL O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NS(=O)(=O)c1cc(F)ccc1F ZINC000314331083 437173687 /nfs/dbraw/zinc/17/36/87/437173687.db2.gz DEDRQFZGANSENZ-JTQLQIEISA-N -2 2 331.300 0.662 20 0 ECADLL CCC[C@H](NC(=O)COc1ccccc1-c1nn[nH]n1)c1nn[nH]n1 ZINC000821020582 587570186 /nfs/dbraw/zinc/57/01/86/587570186.db2.gz FRNHFAKAGLEDIK-JTQLQIEISA-N -2 2 343.351 0.416 20 0 ECADLL Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cnn1C ZINC000362431382 437738598 /nfs/dbraw/zinc/73/85/98/437738598.db2.gz RZIQBJPFKOXONW-UHFFFAOYSA-N -2 2 339.329 0.926 20 0 ECADLL Cc1cc(C(=O)N2CC[NH2+]C[C@@H]2C(F)F)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000581669100 439240869 /nfs/dbraw/zinc/24/08/69/439240869.db2.gz DHLWLSUSDCUCLB-MRVPVSSYSA-N -2 2 339.302 0.424 20 0 ECADLL O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])cn1 ZINC000739911584 579721834 /nfs/dbraw/zinc/72/18/34/579721834.db2.gz DGKSREBPCKQCID-UHFFFAOYSA-N -2 2 343.292 0.606 20 0 ECADLL COCC[N@@H+]1CCC[C@@H](NS(=O)(=O)c2csnc2C(=O)[O-])C1 ZINC000833725055 588563374 /nfs/dbraw/zinc/56/33/74/588563374.db2.gz YYUDDDNWASHJDA-SECBINFHSA-N -2 2 349.434 0.230 20 0 ECADLL O=C(c1nn(-c2ccccc2)cc1[O-])N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000365882364 437984012 /nfs/dbraw/zinc/98/40/12/437984012.db2.gz VFLOUYCIDVPJIR-GFCCVEGCSA-N -2 2 341.331 0.305 20 0 ECADLL O=C(C1=NN(c2ccccc2)CC1=O)N1CCO[C@@H](c2nn[nH]n2)C1 ZINC000365882364 437984022 /nfs/dbraw/zinc/98/40/22/437984022.db2.gz VFLOUYCIDVPJIR-GFCCVEGCSA-N -2 2 341.331 0.305 20 0 ECADLL COC(=O)c1[nH]cnc1NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C ZINC000517387576 438963310 /nfs/dbraw/zinc/96/33/10/438963310.db2.gz KQTAIGOYJBOJJI-UHFFFAOYSA-N -2 2 344.331 0.743 20 0 ECADLL COC(=O)c1nc[nH]c1NC(=O)Cc1c(C)nc2cc(=O)[nH]n2c1C ZINC000517387576 438963314 /nfs/dbraw/zinc/96/33/14/438963314.db2.gz KQTAIGOYJBOJJI-UHFFFAOYSA-N -2 2 344.331 0.743 20 0 ECADLL Cn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1C(=O)[O-] ZINC000538093531 302157912 /nfs/dbraw/zinc/15/79/12/302157912.db2.gz DPYUUDQQXHDIEI-UHFFFAOYSA-N -2 2 341.301 0.323 20 0 ECADLL O=C(c1nn(-c2ccccc2)cc1[O-])N1CCO[C@H](c2nn[nH]n2)C1 ZINC000365882369 437984073 /nfs/dbraw/zinc/98/40/73/437984073.db2.gz VFLOUYCIDVPJIR-LBPRGKRZSA-N -2 2 341.331 0.305 20 0 ECADLL O=C(C1=NN(c2ccccc2)CC1=O)N1CCO[C@H](c2nn[nH]n2)C1 ZINC000365882369 437984075 /nfs/dbraw/zinc/98/40/75/437984075.db2.gz VFLOUYCIDVPJIR-LBPRGKRZSA-N -2 2 341.331 0.305 20 0 ECADLL O=C([O-])Cn1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)n1 ZINC000833277731 588533350 /nfs/dbraw/zinc/53/33/50/588533350.db2.gz XUXOCUSWAAZGET-UHFFFAOYSA-N -2 2 343.292 0.606 20 0 ECADLL Cc1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cn1 ZINC000343263177 321131346 /nfs/dbraw/zinc/13/13/46/321131346.db2.gz JNFOBCZRFPGKCS-UHFFFAOYSA-N -2 2 337.313 0.982 20 0 ECADLL Cc1oc(S(=O)(=O)N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)cc1C(=O)[O-] ZINC000833027548 588515047 /nfs/dbraw/zinc/51/50/47/588515047.db2.gz GWGDEPDNLHEODZ-KCJUWKMLSA-N -2 2 332.378 0.284 20 0 ECADLL O=C([O-])Cn1ccc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)n1 ZINC000833277114 588533263 /nfs/dbraw/zinc/53/32/63/588533263.db2.gz KFFYMDZGGSARNQ-UHFFFAOYSA-N -2 2 343.292 0.606 20 0 ECADLL O=C(c1nnc2ccccc2c1O)N1CCC[C@H](c2nn[nH]n2)C1 ZINC000757942472 579466016 /nfs/dbraw/zinc/46/60/16/579466016.db2.gz DGKGOBYKOBEGCE-VIFPVBQESA-N -2 2 325.332 0.868 20 0 ECADLL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000738993552 579660375 /nfs/dbraw/zinc/66/03/75/579660375.db2.gz ZARURYZIPDDIMY-UHFFFAOYSA-N -2 2 345.358 0.837 20 0 ECADLL O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2O)cn1 ZINC000833275369 588533011 /nfs/dbraw/zinc/53/30/11/588533011.db2.gz XHWZCWSHHZVSTP-UHFFFAOYSA-N -2 2 341.301 0.172 20 0 ECADLL Cc1cc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000329115238 437321493 /nfs/dbraw/zinc/32/14/93/437321493.db2.gz MQADBOWSHQMRSI-UWVGGRQHSA-N -2 2 331.376 0.909 20 0 ECADLL O=C([O-])Cc1cccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000833268151 588532103 /nfs/dbraw/zinc/53/21/03/588532103.db2.gz BAYZTROIYWNZDO-UHFFFAOYSA-N -2 2 339.329 0.396 20 0 ECADLL O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)cn1 ZINC000833275004 588532995 /nfs/dbraw/zinc/53/29/95/588532995.db2.gz PVTYHASYJZIQMG-UHFFFAOYSA-N -2 2 341.301 0.172 20 0 ECADLL O=S(=O)([O-])CCCC[NH+]1CCN(Cc2ccncc2O)CC1 ZINC001140281301 734199721 /nfs/dbraw/zinc/19/97/21/734199721.db2.gz ADCAQEIRWQOSTD-UHFFFAOYSA-N -2 2 329.422 0.573 20 0 ECADLL Cc1cccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1C(=O)[O-] ZINC000832972556 588512278 /nfs/dbraw/zinc/51/22/78/588512278.db2.gz DUMJDCPESMTYPA-UHFFFAOYSA-N -2 2 339.329 0.775 20 0 ECADLL CCC[C@@H](NC(=O)COc1ccccc1-c1nn[nH]n1)c1nn[nH]n1 ZINC000821020583 587570035 /nfs/dbraw/zinc/57/00/35/587570035.db2.gz FRNHFAKAGLEDIK-SNVBAGLBSA-N -2 2 343.351 0.416 20 0 ECADLL Cc1cc(C(=O)NCC[NH+]2CCSCC2)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000266860888 437256651 /nfs/dbraw/zinc/25/66/51/437256651.db2.gz UHUHGRMRLRCPDU-UHFFFAOYSA-N -2 2 349.416 0.523 20 0 ECADLL O=C(CNC(=O)c1ccc(-c2nn[nH]n2)cc1)NOCC(F)(F)F ZINC000823005375 587695969 /nfs/dbraw/zinc/69/59/69/587695969.db2.gz OIXKCCVQIWJOQZ-UHFFFAOYSA-N -2 2 344.253 0.207 20 0 ECADLL O=C([O-])Cn1cc(CCOC(=O)c2cc(-c3ccco3)n[nH]2)nn1 ZINC000833269374 588532140 /nfs/dbraw/zinc/53/21/40/588532140.db2.gz HKXFZPMASDILQR-UHFFFAOYSA-N -2 2 331.288 0.745 20 0 ECADLL Cn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1C(=O)[O-] ZINC000536685486 302145875 /nfs/dbraw/zinc/14/58/75/302145875.db2.gz SBWIITTUJXGCNS-UHFFFAOYSA-N -2 2 331.331 0.679 20 0 ECADLL CCn1cc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])cc1C(=O)[O-] ZINC000540294475 322083739 /nfs/dbraw/zinc/08/37/39/322083739.db2.gz KRNFPEOQVDBOKU-UHFFFAOYSA-N -2 2 342.333 0.439 20 0 ECADLL Cc1cc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)ccc1C(=O)[O-] ZINC000832899479 588509708 /nfs/dbraw/zinc/50/97/08/588509708.db2.gz MAUFXMTTZRVQHU-UHFFFAOYSA-N -2 2 339.329 0.775 20 0 ECADLL O=C([O-])Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cn1 ZINC000739911970 579721851 /nfs/dbraw/zinc/72/18/51/579721851.db2.gz RUZANSFBRZANIU-UHFFFAOYSA-N -2 2 331.331 0.528 20 0 ECADLL O=C(c1c(F)ccc(O)c1F)N1CCC(O)(c2nn[nH]n2)CC1 ZINC000819619910 587484477 /nfs/dbraw/zinc/48/44/77/587484477.db2.gz FILZBDJDHZSAQB-UHFFFAOYSA-N -2 2 325.275 0.307 20 0 ECADLL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000832867791 588509012 /nfs/dbraw/zinc/50/90/12/588509012.db2.gz FNMNBLVTCCFYHQ-UHFFFAOYSA-N -2 2 339.329 0.775 20 0 ECADLL Cc1cc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000073331610 216378327 /nfs/dbraw/zinc/37/83/27/216378327.db2.gz CXPYNWZWXFHZPV-VIFPVBQESA-N -2 2 331.376 0.545 20 0 ECADLL Cc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000329115237 437320552 /nfs/dbraw/zinc/32/05/52/437320552.db2.gz MQADBOWSHQMRSI-NXEZZACHSA-N -2 2 331.376 0.909 20 0 ECADLL O=C([O-])Cn1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cn1 ZINC000739911506 579721786 /nfs/dbraw/zinc/72/17/86/579721786.db2.gz AOWWMAPSXWXJFI-UHFFFAOYSA-N -2 2 325.302 0.467 20 0 ECADLL COCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000906943618 586997013 /nfs/dbraw/zinc/99/70/13/586997013.db2.gz BHRKUVNFXDPXHB-JTQLQIEISA-N -2 2 334.419 0.445 20 0 ECADLL O=C([O-])Cn1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cn1 ZINC000833275487 588532990 /nfs/dbraw/zinc/53/29/90/588532990.db2.gz ZWXMRFXQUDSJNZ-UHFFFAOYSA-N -2 2 343.292 0.606 20 0 ECADLL O=C([O-])Cn1cc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cn1 ZINC000739911827 579721808 /nfs/dbraw/zinc/72/18/08/579721808.db2.gz NIUYRJRLCHNXSG-UHFFFAOYSA-N -2 2 343.292 0.606 20 0 ECADLL O=C([O-])c1ccc(O)c(S(=O)(=O)N2CC[NH+](C3CCC3)CC2)c1 ZINC000906868295 586990901 /nfs/dbraw/zinc/99/09/01/586990901.db2.gz OVDDMJKFLNAROK-UHFFFAOYSA-N -2 2 340.401 0.949 20 0 ECADLL CCC[C@@H]1C[NH2+]CCN1C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000359225358 438384182 /nfs/dbraw/zinc/38/41/82/438384182.db2.gz UEBSQDKZPIQSGO-SNVBAGLBSA-N -2 2 331.376 0.959 20 0 ECADLL O=C([O-])Cn1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)n1 ZINC000739920539 579722390 /nfs/dbraw/zinc/72/23/90/579722390.db2.gz RDFOUZYGWWQOKD-UHFFFAOYSA-N -2 2 343.292 0.606 20 0 ECADLL Cc1ccc(S(=O)(=O)Nc2nn3c(nc(C)cc3=O)[nH]2)c(F)c1 ZINC000176416054 437141283 /nfs/dbraw/zinc/14/12/83/437141283.db2.gz KIPIJOWWXKNRCD-UHFFFAOYSA-N -2 2 337.336 0.974 20 0 ECADLL N#Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c(F)c1 ZINC000547548236 302260692 /nfs/dbraw/zinc/26/06/92/302260692.db2.gz JUVWZGNGUYROBZ-LLVKDONJSA-N -2 2 338.320 0.395 20 0 ECADLL Cc1ccc(S(=O)(=O)Nc2ccn(CC(=O)[O-])n2)cc1C(=O)[O-] ZINC000738654822 579644052 /nfs/dbraw/zinc/64/40/52/579644052.db2.gz IGNDAAOIYOPXQI-UHFFFAOYSA-N -2 2 339.329 0.775 20 0 ECADLL Cn1ncc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1C(=O)[O-] ZINC000536989582 302147432 /nfs/dbraw/zinc/14/74/32/302147432.db2.gz QOYVPGKCNMGWOW-UHFFFAOYSA-N -2 2 343.292 0.756 20 0 ECADLL O=C(CCNS(=O)(=O)c1ccccc1F)Nc1cc[nH+]cc1O ZINC000358336401 438203895 /nfs/dbraw/zinc/20/38/95/438203895.db2.gz JNVIAXSTPFYDPL-UHFFFAOYSA-N -2 2 339.348 0.655 20 0 ECADLL Cn1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)cc1C(=O)[O-] ZINC000436827582 438428310 /nfs/dbraw/zinc/42/83/10/438428310.db2.gz UEOPZWMMZRIEFU-UHFFFAOYSA-N -2 2 340.313 0.928 20 0 ECADLL Cc1ccc(F)c(S(=O)(=O)Nc2nn3c(nc(C)cc3=O)[nH]2)c1 ZINC000176415936 437142698 /nfs/dbraw/zinc/14/26/98/437142698.db2.gz JOCSEGNPZYPDTR-UHFFFAOYSA-N -2 2 337.336 0.974 20 0 ECADLL O=C([O-])Cn1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000739919646 579722376 /nfs/dbraw/zinc/72/23/76/579722376.db2.gz DJKSVNKMYOZPML-UHFFFAOYSA-N -2 2 325.302 0.467 20 0 ECADLL CCC[C@H]1C[NH2+]CCN1C(=O)c1cc(C)c2c(=O)[nH]c(=O)nc-2[nH]1 ZINC000359225355 438384098 /nfs/dbraw/zinc/38/40/98/438384098.db2.gz UEBSQDKZPIQSGO-JTQLQIEISA-N -2 2 331.376 0.959 20 0 ECADLL Cn1ncc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1C(=O)[O-] ZINC000774621147 579252350 /nfs/dbraw/zinc/25/23/50/579252350.db2.gz KPMSDRWCYUBHMO-UHFFFAOYSA-N -2 2 343.292 0.756 20 0 ECADLL Cc1cc(F)c(S(=O)(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1F ZINC000547873426 322141067 /nfs/dbraw/zinc/14/10/67/322141067.db2.gz IHSVYOYELMKJPM-NSHDSACASA-N -2 2 345.327 0.971 20 0 ECADLL Cc1cc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)sc1C(=O)[O-] ZINC000738478400 579633343 /nfs/dbraw/zinc/63/33/43/579633343.db2.gz NJUAIFGZSNYLFY-UHFFFAOYSA-N -2 2 345.358 0.837 20 0 ECADLL Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000738993170 579660378 /nfs/dbraw/zinc/66/03/78/579660378.db2.gz RBDUYEBQUXXXAX-UHFFFAOYSA-N -2 2 345.358 0.837 20 0 ECADLL Cc1cccc(C(=O)[O-])c1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000832963189 588512034 /nfs/dbraw/zinc/51/20/34/588512034.db2.gz NMQCMZZJVARBLC-UHFFFAOYSA-N -2 2 339.329 0.775 20 0 ECADLL Cn1cc(S(=O)(=O)Nc2csnc2C(=O)[O-])cc1C(=O)[O-] ZINC000833056073 588517260 /nfs/dbraw/zinc/51/72/60/588517260.db2.gz WLPIYRDBSWVMSL-UHFFFAOYSA-N -2 2 331.331 0.679 20 0 ECADLL Cc1ccc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])c(C(=O)[O-])c1 ZINC000833751333 588564842 /nfs/dbraw/zinc/56/48/42/588564842.db2.gz UNAWNBVNZQAOAK-UHFFFAOYSA-N -2 2 339.329 0.926 20 0 ECADLL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-] ZINC000536686495 302145492 /nfs/dbraw/zinc/14/54/92/302145492.db2.gz AGTKDWHQNADBPQ-UHFFFAOYSA-N -2 2 339.329 0.926 20 0 ECADLL Cc1cc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000329115240 437321051 /nfs/dbraw/zinc/32/10/51/437321051.db2.gz MQADBOWSHQMRSI-ZJUUUORDSA-N -2 2 331.376 0.909 20 0 ECADLL Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nn1C ZINC000439042828 438494437 /nfs/dbraw/zinc/49/44/37/438494437.db2.gz LDKAYJNRXCMNFU-UHFFFAOYSA-N -2 2 339.329 0.926 20 0 ECADLL O=C(c1cc(F)cc2n[nH]nc21)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000519658204 439052677 /nfs/dbraw/zinc/05/26/77/439052677.db2.gz WWQFYLZIEKVFRX-UHFFFAOYSA-N -2 2 331.311 0.941 20 0 ECADLL O=C(c1cc(F)cc2nn[nH]c21)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000519658204 439052678 /nfs/dbraw/zinc/05/26/78/439052678.db2.gz WWQFYLZIEKVFRX-UHFFFAOYSA-N -2 2 331.311 0.941 20 0 ECADLL C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)OCc1n[nH]c(=O)[nH]1 ZINC000824738562 587891739 /nfs/dbraw/zinc/89/17/39/587891739.db2.gz QGHOXXVFRHLEIX-ZETCQYMHSA-N -2 2 331.292 0.201 20 0 ECADLL O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cn1 ZINC000739912173 579721843 /nfs/dbraw/zinc/72/18/43/579721843.db2.gz ZIODUCVCSXCDRY-UHFFFAOYSA-N -2 2 325.302 0.467 20 0 ECADLL Cn1nc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1C(=O)[O-] ZINC000821090029 587572871 /nfs/dbraw/zinc/57/28/71/587572871.db2.gz QDFZADWMEYQQII-UHFFFAOYSA-N -2 2 339.329 0.546 20 0 ECADLL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC000790004743 578865406 /nfs/dbraw/zinc/86/54/06/578865406.db2.gz GRANHPUSTLYSEO-UHFFFAOYSA-N -2 2 339.329 0.926 20 0 ECADLL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000738546078 579637791 /nfs/dbraw/zinc/63/77/91/579637791.db2.gz CNGMVGXEQUPUJD-UHFFFAOYSA-N -2 2 339.329 0.775 20 0 ECADLL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000832852728 588508235 /nfs/dbraw/zinc/50/82/35/588508235.db2.gz HXQUXBPDTQWSAT-UHFFFAOYSA-N -2 2 339.329 0.775 20 0 ECADLL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cnn(CC(=O)[O-])c1 ZINC000832853110 588508413 /nfs/dbraw/zinc/50/84/13/588508413.db2.gz RXSQSBWRWIHWAY-UHFFFAOYSA-N -2 2 339.329 0.775 20 0 ECADLL Cc1cc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)[nH]c2nc(=O)[nH]c(=O)c1-2 ZINC000073331608 216378243 /nfs/dbraw/zinc/37/82/43/216378243.db2.gz CXPYNWZWXFHZPV-SECBINFHSA-N -2 2 331.376 0.545 20 0 ECADLL Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-] ZINC000538093587 302158081 /nfs/dbraw/zinc/15/80/81/302158081.db2.gz FKIULNGQECJYMM-UHFFFAOYSA-N -2 2 339.329 0.926 20 0 ECADLL Cc1cc(S(=O)(=O)Nc2cnn(C)c2C(=O)[O-])sc1C(=O)[O-] ZINC000539841755 322081419 /nfs/dbraw/zinc/08/14/19/322081419.db2.gz HNBHAAITLVJLKE-UHFFFAOYSA-N -2 2 345.358 0.987 20 0 ECADLL Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)n2)cc1C(=O)[O-] ZINC000776428455 579281327 /nfs/dbraw/zinc/28/13/27/579281327.db2.gz ZPPDAECBQXYCLI-UHFFFAOYSA-N -2 2 339.329 0.926 20 0 ECADLL Cn1ncc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1C(=O)[O-] ZINC000536684770 302146040 /nfs/dbraw/zinc/14/60/40/302146040.db2.gz BIZHERFXTXPKDT-UHFFFAOYSA-N -2 2 325.302 0.617 20 0 ECADLL Cc1cc(=O)n2nc(NS(=O)(=O)c3cc(F)cc(F)c3)[nH]c2n1 ZINC000176413291 437141520 /nfs/dbraw/zinc/14/15/20/437141520.db2.gz PQMJBXPPOOUYOM-UHFFFAOYSA-N -2 2 341.299 0.805 20 0 ECADLL Cc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1C(=O)[O-] ZINC000832950145 588511254 /nfs/dbraw/zinc/51/12/54/588511254.db2.gz DFJMXSYAQWBLCH-UHFFFAOYSA-N -2 2 339.329 0.775 20 0 ECADLL Cn1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1C(=O)[O-] ZINC000539193177 302167522 /nfs/dbraw/zinc/16/75/22/302167522.db2.gz FTOCPGCEYQHMMK-UHFFFAOYSA-N -2 2 343.292 0.756 20 0 ECADLL Cc1nn(C)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(=O)[O-])c1 ZINC000554430992 302421752 /nfs/dbraw/zinc/42/17/52/302421752.db2.gz WOFQJBHEVCRMLE-UHFFFAOYSA-N -2 2 339.329 0.926 20 0 ECADLL Cc1cc(=O)n2nc(NS(=O)(=O)c3ccc(F)cc3F)[nH]c2n1 ZINC000176416438 437142266 /nfs/dbraw/zinc/14/22/66/437142266.db2.gz ZGWVDIFZMHTFTM-UHFFFAOYSA-N -2 2 341.299 0.805 20 0 ECADLL O=C(c1cc(F)cc2n[nH]nc21)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000581072899 439165889 /nfs/dbraw/zinc/16/58/89/439165889.db2.gz APNGUFZVSOFANA-SSDOTTSWSA-N -2 2 331.311 0.941 20 0 ECADLL O=C(c1cc(F)cc2nn[nH]c21)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000581072899 439165893 /nfs/dbraw/zinc/16/58/93/439165893.db2.gz APNGUFZVSOFANA-SSDOTTSWSA-N -2 2 331.311 0.941 20 0 ECADLL Cn1ncc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c1C(=O)[O-] ZINC000565907993 438988149 /nfs/dbraw/zinc/98/81/49/438988149.db2.gz BFBIPKWYTWFBJZ-UHFFFAOYSA-N -2 2 339.329 0.546 20 0 ECADLL C[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])o1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656180688 440740456 /nfs/dbraw/zinc/74/04/56/440740456.db2.gz LXDRHCOTUOWAFT-GARJFASQSA-N -2 2 346.405 0.754 20 0 ECADLL C[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])co1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656181271 440742063 /nfs/dbraw/zinc/74/20/63/440742063.db2.gz VZYMLPTYYHSMPP-GARJFASQSA-N -2 2 346.405 0.754 20 0 ECADLL O=C(c1nnc2ccccc2c1O)N1CCC[C@@H](c2nn[nH]n2)C1 ZINC000757942470 579466022 /nfs/dbraw/zinc/46/60/22/579466022.db2.gz DGKGOBYKOBEGCE-SECBINFHSA-N -2 2 325.332 0.868 20 0 ECADLL COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)[O-])ccc1OCC(=O)[O-] ZINC000737872422 578534485 /nfs/dbraw/zinc/53/44/85/578534485.db2.gz PHRIAQYIFPNCDY-ZDUSSCGKSA-N -2 2 336.300 0.871 20 0 ECADLL O=C([O-])Cn1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cn1 ZINC000739911966 579721838 /nfs/dbraw/zinc/72/18/38/579721838.db2.gz RSYLEBUYSWMMFZ-UHFFFAOYSA-N -2 2 325.302 0.467 20 0 ECADLL Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1C(=O)[O-] ZINC000538742441 302163374 /nfs/dbraw/zinc/16/33/74/302163374.db2.gz PJVRLOUBINSWJJ-UHFFFAOYSA-N -2 2 329.290 0.519 20 0 ECADLL Cn1ncc(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1C(=O)[O-] ZINC000539193553 302167681 /nfs/dbraw/zinc/16/76/81/302167681.db2.gz JMURHMUQADLNLQ-UHFFFAOYSA-N -2 2 331.331 0.679 20 0 ECADLL Cn1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C(=O)[O-])c2)n1 ZINC000340328373 321036198 /nfs/dbraw/zinc/03/61/98/321036198.db2.gz WUZQYBKNHBCMHS-UHFFFAOYSA-N -2 2 325.302 0.617 20 0 ECADLL CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000906863558 586991073 /nfs/dbraw/zinc/99/10/73/586991073.db2.gz ORQYHVWIDHNGCJ-LBPRGKRZSA-N -2 2 340.401 0.948 20 0 ECADLL Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000319604407 600673150 /nfs/dbraw/zinc/67/31/50/600673150.db2.gz MLAWMQGFZWPGEZ-UHFFFAOYSA-N -2 2 339.329 0.775 20 0 ECADLL Cn1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(C(=O)[O-])c2)cn1 ZINC000547544455 302260632 /nfs/dbraw/zinc/26/06/32/302260632.db2.gz ZBMQIZQUKBZMEV-UHFFFAOYSA-N -2 2 325.302 0.617 20 0 ECADLL CC(C)n1cnc(S(=O)(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])c1 ZINC000547548584 302260711 /nfs/dbraw/zinc/26/07/11/302260711.db2.gz SNAQKTSNAVNMDN-SNVBAGLBSA-N -2 2 327.366 0.161 20 0 ECADLL O=C([O-])Cn1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)n1 ZINC000739918920 579722166 /nfs/dbraw/zinc/72/21/66/579722166.db2.gz DSXLIOALXGTKOJ-UHFFFAOYSA-N -2 2 325.302 0.467 20 0 ECADLL