smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1 ZINC000224546182 557620118 /nfs/dbraw/zinc/62/01/18/557620118.db2.gz YMBFEGPYDVWGFY-UHFFFAOYSA-N -2 3 444.578 4.355 40 0 IIABHL Cc1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)c1 ZINC000224547051 557620520 /nfs/dbraw/zinc/62/05/20/557620520.db2.gz ZWEOZMPKNYQBJZ-UHFFFAOYSA-N -2 3 430.551 4.046 40 0 IIABHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2F)cc1 ZINC000224549098 557620960 /nfs/dbraw/zinc/62/09/60/557620960.db2.gz HSBGCLQQHXLUGS-UHFFFAOYSA-N -2 3 448.541 4.185 40 0 IIABHL Cc1ccc(-n2c(SCC(=O)[O-])nnc2-c2cc(Br)ccc2[O-])c(C)c1 ZINC000408544990 555793645 /nfs/dbraw/zinc/79/36/45/555793645.db2.gz KXXIOXJLZQHGJB-UHFFFAOYSA-N -2 3 434.315 4.196 40 0 IIABHL CCc1nc(SC(=Cc2ccc(OCc3ccccc3F)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408631575 556003310 /nfs/dbraw/zinc/00/33/10/556003310.db2.gz KLONZLKAOGRIBM-WQRHYEAKSA-N -2 3 429.473 4.312 40 0 IIABHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3C)cc2)c(C)c1 ZINC000224546468 557620185 /nfs/dbraw/zinc/62/01/85/557620185.db2.gz KORZQUBHOZUUGH-UHFFFAOYSA-N -2 3 444.578 4.355 40 0 IIABHL Cc1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)c1 ZINC000224547125 557620506 /nfs/dbraw/zinc/62/05/06/557620506.db2.gz YKPRIXDCCXNCKM-UHFFFAOYSA-N -2 3 444.578 4.355 40 0 IIABHL O=S(=O)(Cc1ccccc1Cl)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000224548731 557620916 /nfs/dbraw/zinc/62/09/16/557620916.db2.gz UYLSONQBFCUJSA-UHFFFAOYSA-N -2 3 436.942 4.083 40 0 IIABHL CCCCC(=O)N(Cc1cccc(-c2ccccc2-c2nnn[n-]2)c1)[C@H](C(=O)[O-])C(C)C ZINC000059031804 569249738 /nfs/dbraw/zinc/24/97/38/569249738.db2.gz LRPQGDUOPBRUDL-QFIPXVFZSA-N -2 3 435.528 4.162 40 0 IIABHL CCCCC(=O)N(Cc1cccc(-c2ccccc2-c2nn[n-]n2)c1)[C@H](C(=O)[O-])C(C)C ZINC000059031804 569249739 /nfs/dbraw/zinc/24/97/39/569249739.db2.gz LRPQGDUOPBRUDL-QFIPXVFZSA-N -2 3 435.528 4.162 40 0 IIABHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000014224018 556393806 /nfs/dbraw/zinc/39/38/06/556393806.db2.gz RIISKVGVRVVNPK-UHFFFAOYSA-N -2 3 430.551 4.213 40 0 IIABHL CCCc1nc(SC(=Cc2cc(Br)c(OC)c(OCC)c2)C(=O)[O-])n[n-]1 ZINC000408631316 556002944 /nfs/dbraw/zinc/00/29/44/556002944.db2.gz HKVDKODAINHAGV-LCYFTJDESA-N -2 3 442.335 4.145 40 0 IIABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3)cc2)c1 ZINC000224545132 557619831 /nfs/dbraw/zinc/61/98/31/557619831.db2.gz SMFOZJSLXSIYJE-UHFFFAOYSA-N -2 3 430.551 4.046 40 0 IIABHL CC(C)=CCOC(=O)CC=C(C(=O)[O-])c1csc(=NC(=O)OCc2ccccc2)[n-]1 ZINC000022008373 519438603 /nfs/dbraw/zinc/43/86/03/519438603.db2.gz QSJNRPJXKFDFPH-PXNMLYILSA-N -2 3 430.482 4.259 40 0 IIABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(F)cc3)cc2)c1 ZINC000224549640 557620984 /nfs/dbraw/zinc/62/09/84/557620984.db2.gz YZQFQFYYUIYIPP-UHFFFAOYSA-N -2 3 448.541 4.185 40 0 IIABHL CCCc1nc(SC(=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)C(=O)[O-])n[n-]1 ZINC000408631129 556002602 /nfs/dbraw/zinc/00/26/02/556002602.db2.gz FDFPJZZTPAXFJM-PDGQHHTCSA-N -3 3 439.493 4.252 40 0 IIABHL CCCc1nc(SC(=Cc2cc(Br)c(OCC)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408633418 556007928 /nfs/dbraw/zinc/00/79/28/556007928.db2.gz YHYGNLFIXQCEKM-LCYFTJDESA-N -2 3 442.335 4.145 40 0 IIABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000408921878 556891213 /nfs/dbraw/zinc/89/12/13/556891213.db2.gz JYICXQXLENAPRU-UHFFFAOYSA-N -2 3 430.551 4.213 40 0 IIABHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)c1 ZINC000223756643 557509632 /nfs/dbraw/zinc/50/96/32/557509632.db2.gz CMYQTRLLLZMDPA-UHFFFAOYSA-N -2 3 434.514 4.044 40 0 IIABHL Cc1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)cc1 ZINC000224548312 557620663 /nfs/dbraw/zinc/62/06/63/557620663.db2.gz YVHFEJQSAZQQJV-UHFFFAOYSA-N -2 3 444.578 4.355 40 0 IIABHL Cc1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc2)cc1 ZINC000224548031 557620699 /nfs/dbraw/zinc/62/06/99/557620699.db2.gz OOZMVJHIPHOXAA-UHFFFAOYSA-N -2 3 444.578 4.355 40 0 IIABHL CCc1nc(SC(=Cc2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)[O-])n[n-]1 ZINC000408632901 556005320 /nfs/dbraw/zinc/00/53/20/556005320.db2.gz UVJMZNDXSIMIGS-UNOMPAQXSA-N -2 3 447.520 4.178 40 0 IIABHL Cc1cccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)c1 ZINC000223756454 557509669 /nfs/dbraw/zinc/50/96/69/557509669.db2.gz BPCCOFMPWSIKBQ-UHFFFAOYSA-N -2 3 430.551 4.213 40 0 IIABHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3)cc2)c(C)c1 ZINC000224545545 557620129 /nfs/dbraw/zinc/62/01/29/557620129.db2.gz HHFIUMAHWXDHAJ-UHFFFAOYSA-N -2 3 430.551 4.046 40 0 IIABHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3C)cc2)cc1 ZINC000224546613 557620179 /nfs/dbraw/zinc/62/01/79/557620179.db2.gz UYFNEOOIAITOBK-UHFFFAOYSA-N -2 3 430.551 4.046 40 0 IIABHL CCc1nc(SC(=Cc2ccc(OCc3ccc(C)cc3)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408630503 556001439 /nfs/dbraw/zinc/00/14/39/556001439.db2.gz AQYJFUKQZQTUMF-UNOMPAQXSA-N -2 3 425.510 4.481 40 0 IIABHL CCc1nc(SC(=Cc2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)C(=O)[O-])n[n-]1 ZINC000408631528 556003317 /nfs/dbraw/zinc/00/33/17/556003317.db2.gz KBFWWUQUKOSJOY-DHDCSXOGSA-N -2 3 433.873 4.285 40 0 IIABHL COc1cc(Br)c(Br)c(-c2nc3ccccc3c(=O)[n-]2)c1[O-] ZINC000409262003 557040750 /nfs/dbraw/zinc/04/07/50/557040750.db2.gz GVFLBGDZAOUWGY-UHFFFAOYSA-N -2 3 426.064 4.242 40 0 IIABHL O=S(=O)([N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1ccc(F)cc1 ZINC000014223850 557433327 /nfs/dbraw/zinc/43/33/27/557433327.db2.gz VCONWCUYGFUMHH-UHFFFAOYSA-N -2 3 440.905 4.081 40 0 IIABHL CCOC(=O)c1c(C)c(C(=O)CC)sc1[N-]C(=O)c1cc(-c2ccccc2[O-])on1 ZINC000020572832 521384146 /nfs/dbraw/zinc/38/41/46/521384146.db2.gz SIFNQXRDLAILHS-UHFFFAOYSA-N -2 3 428.466 4.439 40 0 IIABHL Cc1cccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3C)cc2)c1 ZINC000224546102 557620141 /nfs/dbraw/zinc/62/01/41/557620141.db2.gz TVYHFSZMUXVTFE-UHFFFAOYSA-N -2 3 430.551 4.046 40 0 IIABHL CCCc1nc(SC(=Cc2cc(Br)c(N3CCCCC3)o2)C(=O)[O-])n[n-]1 ZINC000408633119 556007486 /nfs/dbraw/zinc/00/74/86/556007486.db2.gz WAYROYIRDFFYAG-RAXLEYEMSA-N -2 3 441.351 4.321 40 0 IIABHL COc1cc(-c2nc3ccccc3c(=O)[n-]2)c(Br)c(Br)c1[O-] ZINC000409271274 557042821 /nfs/dbraw/zinc/04/28/21/557042821.db2.gz UANVJWZBPIDOQH-UHFFFAOYSA-N -2 3 426.064 4.242 40 0 IIABHL Cc1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)cc1 ZINC000224548453 557620670 /nfs/dbraw/zinc/62/06/70/557620670.db2.gz VFSDGSXYCXBAOJ-UHFFFAOYSA-N -2 3 430.551 4.046 40 0 IIABHL CCCc1nc(SC(=Cc2ccc(OCc3cccc(C(=O)[O-])c3)cc2)C(=O)[O-])n[n-]1 ZINC000408631210 556002976 /nfs/dbraw/zinc/00/29/76/556002976.db2.gz GFDJKBRPZAYGOC-PDGQHHTCSA-N -3 3 439.493 4.252 40 0 IIABHL O=S(=O)([N-]c1ccc2c(c1[N-]S(=O)(=O)c1ccccc1)CCCC2)c1ccccc1 ZINC000001593190 555705363 /nfs/dbraw/zinc/70/53/63/555705363.db2.gz KCQHBXOSURKORA-UHFFFAOYSA-N -2 3 442.562 4.167 40 0 IIABHL Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2)c(C)c1[N-]S(=O)(=O)c1ccccc1 ZINC000001651979 555708287 /nfs/dbraw/zinc/70/82/87/555708287.db2.gz AYTAROZYGOMGFA-UHFFFAOYSA-N -2 3 430.551 4.213 40 0 IIABHL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000408911367 556888133 /nfs/dbraw/zinc/88/81/33/556888133.db2.gz NEYHFLVYRZBFIR-UHFFFAOYSA-N -2 3 436.942 4.250 40 0 IIABHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3C)cc2)cc1C ZINC000224546254 557620091 /nfs/dbraw/zinc/62/00/91/557620091.db2.gz AUFQYJDJQMIHHG-UHFFFAOYSA-N -2 3 444.578 4.355 40 0 IIABHL Cc1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)cc1 ZINC000224547896 557620647 /nfs/dbraw/zinc/62/06/47/557620647.db2.gz PXFBNQJTVPDSNV-UHFFFAOYSA-N -2 3 444.578 4.355 40 0 IIABHL Cc1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)cc1 ZINC000224547966 557620742 /nfs/dbraw/zinc/62/07/42/557620742.db2.gz OECHBARZRXHAIX-UHFFFAOYSA-N -2 3 430.551 4.046 40 0 IIABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3F)cc2)c1 ZINC000224548947 557620906 /nfs/dbraw/zinc/62/09/06/557620906.db2.gz ZWHFWVXWMJQXCL-UHFFFAOYSA-N -2 3 448.541 4.185 40 0 IIABHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3F)cc2)cc1C ZINC000224549164 557620950 /nfs/dbraw/zinc/62/09/50/557620950.db2.gz LQSXLWWVUFJZFN-UHFFFAOYSA-N -2 3 448.541 4.185 40 0 IIABHL Cc1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)cc1 ZINC000224548383 557620716 /nfs/dbraw/zinc/62/07/16/557620716.db2.gz MZQYCPPAKKLPKD-UHFFFAOYSA-N -2 3 430.551 4.046 40 0 IIABHL CCCc1nc(SC(=Cc2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)[O-])n[n-]1 ZINC000408631901 556003672 /nfs/dbraw/zinc/00/36/72/556003672.db2.gz NBNDFBWQHNOULF-ODLFYWEKSA-N -2 3 439.493 4.283 40 0 IIABHL O=C([O-])c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000216257449 557141399 /nfs/dbraw/zinc/14/13/99/557141399.db2.gz OHVVZICPGHYBEU-UHFFFAOYSA-N -2 3 430.869 4.091 40 0 IIABHL Cc1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)c1 ZINC000224547196 557620512 /nfs/dbraw/zinc/62/05/12/557620512.db2.gz HILKILRNIQWVJP-UHFFFAOYSA-N -2 3 444.578 4.355 40 0 IIABHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(F)cc3)cc2)c(C)c1 ZINC000224549985 557621161 /nfs/dbraw/zinc/62/11/61/557621161.db2.gz WWMMLVDZIMGZOE-UHFFFAOYSA-N -2 3 448.541 4.185 40 0 IIABHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2)cc1 ZINC000223756769 557509730 /nfs/dbraw/zinc/50/97/30/557509730.db2.gz DZYOPJSTPLIWQX-UHFFFAOYSA-N -2 3 430.551 4.213 40 0 IIABHL O=S(=O)(Cc1cccc(Cl)c1)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000224548810 557620932 /nfs/dbraw/zinc/62/09/32/557620932.db2.gz AAZKMOVQZKCMPK-UHFFFAOYSA-N -2 3 436.942 4.083 40 0 IIABHL CCCc1nc(SC(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)C(=O)[O-])n[n-]1 ZINC000408633036 556007255 /nfs/dbraw/zinc/00/72/55/556007255.db2.gz VDOPJBSCYTUYPW-PDGQHHTCSA-N -3 3 439.493 4.252 40 0 IIABHL Cc1ccccc1CS(=O)(=O)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1 ZINC000224546536 557620054 /nfs/dbraw/zinc/62/00/54/557620054.db2.gz MKVDJUYTEPJAOI-UHFFFAOYSA-N -2 3 430.551 4.046 40 0 IIABHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000224545333 557619874 /nfs/dbraw/zinc/61/98/74/557619874.db2.gz WSJBBHRHQUWMNX-UHFFFAOYSA-N -2 3 430.551 4.046 40 0 IIABHL Cc1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc2)c1 ZINC000224546979 557620424 /nfs/dbraw/zinc/62/04/24/557620424.db2.gz WNFJDKIGDFLLIL-UHFFFAOYSA-N -2 3 444.578 4.355 40 0 IIABHL Cc1ccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2)cc1 ZINC000224548095 557620691 /nfs/dbraw/zinc/62/06/91/557620691.db2.gz HEEKKJKJPZOUQF-UHFFFAOYSA-N -2 3 444.578 4.355 40 0 IIABHL Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000223755439 557509445 /nfs/dbraw/zinc/50/94/45/557509445.db2.gz ZRYCUPYNGUUERM-UHFFFAOYSA-N -2 3 436.942 4.250 40 0 IIABHL Cc1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)c1 ZINC000224547481 557620435 /nfs/dbraw/zinc/62/04/35/557620435.db2.gz JXMROMLHMGBFMC-UHFFFAOYSA-N -2 3 430.551 4.046 40 0 IIABHL O=C([O-])c1ccccc1[C@H]1[C@H]2C(=O)N(c3ccccc3Cl)C([O-])=C2ON1c1ccccc1 ZINC000009479114 569296615 /nfs/dbraw/zinc/29/66/15/569296615.db2.gz PYZFNPKDFMBVOX-QHAWAJNXSA-N -2 3 448.862 4.089 40 0 IIABHL CCc1nc(SC(=Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)C(=O)[O-])n[n-]1 ZINC000408633366 556007893 /nfs/dbraw/zinc/00/78/93/556007893.db2.gz XZBNYLUWXUVNIU-WQRHYEAKSA-N -2 3 429.473 4.312 40 0 IIABHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3)cc2)cc1C ZINC000224545400 557619864 /nfs/dbraw/zinc/61/98/64/557619864.db2.gz BHNDGJYYJPPLDD-UHFFFAOYSA-N -2 3 430.551 4.046 40 0 IIABHL O=c1[n-]c(-c2cc(Br)cc(I)c2[O-])nc2ccccc12 ZINC000409249306 557029835 /nfs/dbraw/zinc/02/98/35/557029835.db2.gz HGIREMLTLRLGMP-UHFFFAOYSA-N -2 3 443.038 4.075 40 0 IIABHL Cc1cccc(CS(=O)(=O)[N-]c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2)c1 ZINC000224547409 557620444 /nfs/dbraw/zinc/62/04/44/557620444.db2.gz QNSKERCOQNRSGQ-UHFFFAOYSA-N -2 3 444.578 4.355 40 0 IIABHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3F)cc2)c(C)c1 ZINC000224549296 557620970 /nfs/dbraw/zinc/62/09/70/557620970.db2.gz LXDMLBIFFAXOBO-UHFFFAOYSA-N -2 3 448.541 4.185 40 0 IIABHL Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000223756212 557509689 /nfs/dbraw/zinc/50/96/89/557509689.db2.gz SXJXMCPKFNJQRY-UHFFFAOYSA-N -2 3 442.971 4.312 40 0 IIABHL CC[C@@H](Sc1nc([O-])c(-c2ccccc2)c(=O)[n-]1)C(=O)Nc1cccc2ccccc21 ZINC000001062538 568788004 /nfs/dbraw/zinc/78/80/04/568788004.db2.gz XYJKOSMFYPEWHU-LJQANCHMSA-N -2 3 431.517 4.086 40 0 IIABHL COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc(Cl)ccc3[O-])C(=O)[O-])o2)c1 ZINC000408632119 556005298 /nfs/dbraw/zinc/00/52/98/556005298.db2.gz HMKXYNCXUWTCKB-PXNMLYILSA-N -2 3 434.857 4.331 40 0 IIABHL Cc1[n-][nH]c(=O)c1C(c1ccc(-c2ccc(C(=O)OC(C)C)cc2)o1)c1c(C)[n-][nH]c1=O ZINC000006300072 556831540 /nfs/dbraw/zinc/83/15/40/556831540.db2.gz NFMWGTZXFICUOC-UHFFFAOYSA-N -2 3 436.468 4.166 40 0 IIABHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3cccc(C)c3)cc2)cc1 ZINC000224547543 557620516 /nfs/dbraw/zinc/62/05/16/557620516.db2.gz CVWGIXGDZQKVRF-UHFFFAOYSA-N -2 3 430.551 4.046 40 0 IIABHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(C(=O)[O-])cc3)cc2Cl)cc1 ZINC000022514783 525601141 /nfs/dbraw/zinc/60/11/41/525601141.db2.gz DQFSNMKPTXFHMH-UHFFFAOYSA-N -2 3 444.896 4.400 40 0 IIABHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccccc3C)cc2)c1 ZINC000224546025 557620073 /nfs/dbraw/zinc/62/00/73/557620073.db2.gz RXVPEGCFHMDANV-UHFFFAOYSA-N -2 3 444.578 4.355 40 0 IIABHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000224549782 557620926 /nfs/dbraw/zinc/62/09/26/557620926.db2.gz OEAVMNAAUOHSGZ-UHFFFAOYSA-N -2 3 448.541 4.185 40 0 IIABHL COc1cc(OC)cc(-c2nc(SC(=Cc3cc(Cl)ccc3[O-])C(=O)[O-])n[nH]2)c1 ZINC000408634451 556014924 /nfs/dbraw/zinc/01/49/24/556014924.db2.gz UUWCONNDNAELSI-PXNMLYILSA-N -2 3 433.873 4.066 40 0 IIABHL O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000009694961 557192820 /nfs/dbraw/zinc/19/28/20/557192820.db2.gz ZIVCQVPWQXVIFX-UHFFFAOYSA-N -2 3 436.942 4.083 40 0 IIABHL CCCc1nc(SC(=Cc2ccc(-c3ccc(C(=O)OCC)cc3)o2)C(=O)[O-])n[n-]1 ZINC000408632543 556006715 /nfs/dbraw/zinc/00/67/15/556006715.db2.gz RCZNYMRDUCKRCJ-ATVHPVEESA-N -2 3 427.482 4.412 40 0 IIABHL Cc1ccc(S(=O)(=O)[N-]c2cccc([N-]S(=O)(=O)c3ccc(C)cc3)c2C)cc1 ZINC000003109447 569440360 /nfs/dbraw/zinc/44/03/60/569440360.db2.gz SFNUAPHPISRZIW-UHFFFAOYSA-N -2 3 430.551 4.213 40 0 IIABHL CCCc1nc(SC(=Cc2cc(Br)c(Br)o2)C(=O)[O-])n[n-]1 ZINC000408630542 556001435 /nfs/dbraw/zinc/00/14/35/556001435.db2.gz BHISXPDHWGUIPV-YVMONPNESA-N -2 3 437.113 4.093 40 0 IIABHL O=S(=O)(Cc1ccccc1)[N-]c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000014223875 556393750 /nfs/dbraw/zinc/39/37/50/556393750.db2.gz CMFRYSVLGLJBIO-UHFFFAOYSA-N -2 3 436.942 4.083 40 0 IIABHL Cc1ccc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(F)cc3)cc2)cc1C ZINC000224549845 557620909 /nfs/dbraw/zinc/62/09/09/557620909.db2.gz XXYJUSGAQIRLIO-UHFFFAOYSA-N -2 3 448.541 4.185 40 0 IIABHL CC[C@H](Sc1nc([O-])c(-c2ccccc2)c(=O)[n-]1)C(=O)Nc1cccc2ccccc21 ZINC000001062536 568788033 /nfs/dbraw/zinc/78/80/33/568788033.db2.gz XYJKOSMFYPEWHU-IBGZPJMESA-N -2 3 431.517 4.086 40 0 IIABHL CCCc1nc(SC(=Cc2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C(=O)[O-])n[n-]1 ZINC000007342367 569218830 /nfs/dbraw/zinc/21/88/30/569218830.db2.gz LDMTYRAXMDASFM-CPNJWEJPSA-N -2 3 425.558 4.449 40 0 IIABHL CCCc1nc(SC(=Cc2c(OCC(=O)OCC)ccc3ccccc32)C(=O)[O-])n[n-]1 ZINC000408633261 556007629 /nfs/dbraw/zinc/00/76/29/556007629.db2.gz XHUDIVYOXRBJBJ-PDGQHHTCSA-N -2 3 441.509 4.070 40 0 IIABHL