smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCn1ccnc1C1CCN(c2ncc(C(=O)[O-])cc2Cl)CC1 ZINC000095505335 136180212 /nfs/dbraw/zinc/18/02/12/136180212.db2.gz ZSQNSONQSDZQGV-UHFFFAOYSA-N -1 3 377.876 2.575 10 0 GFAEHM CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000157069873 551532479 /nfs/dbraw/zinc/53/24/79/551532479.db2.gz KXZSOJYIVDZHMJ-JTQLQIEISA-N -1 3 375.281 2.961 10 0 GFAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C12CCOCC2 ZINC000185148572 552355258 /nfs/dbraw/zinc/35/52/58/552355258.db2.gz CKVFLYASBIQQEA-NWDGAFQWSA-N -1 3 395.308 2.641 10 0 GFAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C12CCOCC2 ZINC000185148185 552355360 /nfs/dbraw/zinc/35/53/60/552355360.db2.gz PKWXLTRIPIZGFF-HUUCEWRRSA-N -1 3 377.865 2.732 10 0 GFAEHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000126260464 654811909 /nfs/dbraw/zinc/81/19/09/654811909.db2.gz BPTFFPUOZMDDHD-CYBMUJFWSA-N -1 3 379.258 2.725 10 0 GFAEHM COCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000129490435 654864030 /nfs/dbraw/zinc/86/40/30/654864030.db2.gz YGFIHBNOOXCHMY-NSHDSACASA-N -1 3 391.280 2.545 10 0 GFAEHM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCCC3=O)cc2)cc1 ZINC000012202570 204382186 /nfs/dbraw/zinc/38/21/86/204382186.db2.gz XEKKVXZSUTXUED-UHFFFAOYSA-N -1 3 387.461 2.597 10 0 GFAEHM Cc1cc(N2CCCCS2(=O)=O)ccc1S(=O)(=O)[N-]c1ccccc1F ZINC000012208088 204384511 /nfs/dbraw/zinc/38/45/11/204384511.db2.gz WFJBYOFOPPYDCL-UHFFFAOYSA-N -1 3 398.481 2.865 10 0 GFAEHM CCc1nc(NC2CCN(Cc3ccccc3)CC2)nc(OCC(=O)[O-])c1C ZINC000073709119 522406734 /nfs/dbraw/zinc/40/67/34/522406734.db2.gz OGOPBSILDDLVBF-UHFFFAOYSA-N -1 3 384.480 2.887 10 0 GFAEHM O=C([O-])COc1nc(NC2CCN(Cc3ccccc3)CC2)nc2c1CCC2 ZINC000073709084 527620516 /nfs/dbraw/zinc/62/05/16/527620516.db2.gz GYWDSCMAVBLFJA-UHFFFAOYSA-N -1 3 382.464 2.505 10 0 GFAEHM CCc1ccc([C@@H](C)NC(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)cc1 ZINC000126950739 551334951 /nfs/dbraw/zinc/33/49/51/551334951.db2.gz NPEQKYOYUBMBGC-GFCCVEGCSA-N -1 3 381.523 2.779 10 0 GFAEHM Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000177004740 552149525 /nfs/dbraw/zinc/14/95/25/552149525.db2.gz AKBZPOJJQFZUIQ-ZDUSSCGKSA-N -1 3 375.281 2.848 10 0 GFAEHM O=C(N[C@@H]1CCCC[C@H]1CO)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000179255327 552188498 /nfs/dbraw/zinc/18/84/98/552188498.db2.gz OYDHTLIHFZHNQC-GXFFZTMASA-N -1 3 379.254 2.572 10 0 GFAEHM Cc1ccc2c(c1)[C@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)[C@H](C)C2 ZINC000181228161 552250548 /nfs/dbraw/zinc/25/05/48/552250548.db2.gz KVAQCAAKOCXCLR-FZKQIMNGSA-N -1 3 378.519 2.775 10 0 GFAEHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C12CCOCC2 ZINC000185148587 552355375 /nfs/dbraw/zinc/35/53/75/552355375.db2.gz CKVFLYASBIQQEA-RYUDHWBXSA-N -1 3 395.308 2.641 10 0 GFAEHM CC(C)N1C[C@@H](C)[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000246165261 553103703 /nfs/dbraw/zinc/10/37/03/553103703.db2.gz MEXISAVLXHBZNW-ZWNOBZJWSA-N -1 3 379.295 2.595 10 0 GFAEHM CN(CC(=O)[O-])C[C@H]1CN(Cc2cc(C(F)(F)F)ccc2Cl)CCO1 ZINC000263465249 553188216 /nfs/dbraw/zinc/18/82/16/553188216.db2.gz CMQNLPHDMIQQER-ZDUSSCGKSA-N -1 3 380.794 2.576 10 0 GFAEHM COC(=O)[C@@H]([N-]S(=O)(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC000120118067 655328218 /nfs/dbraw/zinc/32/82/18/655328218.db2.gz YCOHBJQTRNGBDV-HNNXBMFYSA-N -1 3 398.278 2.783 10 0 GFAEHM CC(C)(C)c1nn2c(nnc2SCC(=O)c2ccc(Cl)cc2)[n-]c1=O ZINC000005144268 204115612 /nfs/dbraw/zinc/11/56/12/204115612.db2.gz AULHVHWJQQKEFE-UHFFFAOYSA-N -1 3 377.857 2.739 10 0 GFAEHM C[C@H]1CN(Cc2cccc(-c3nc(-c4ccncc4)cc(=O)[n-]3)c2)CCN1C ZINC000067788041 205260113 /nfs/dbraw/zinc/26/01/13/205260113.db2.gz NOSXFTOEBNSTCA-INIZCTEOSA-N -1 3 375.476 2.635 10 0 GFAEHM CCc1ccc([C@@H](C)NC(=O)NCC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000119662085 551218450 /nfs/dbraw/zinc/21/84/50/551218450.db2.gz PNZKMGBFNFIKTQ-CYBMUJFWSA-N -1 3 381.523 2.649 10 0 GFAEHM Cc1noc([C@@H](C)N2CCN(Cc3cc([O-])ccc3Br)CC2)n1 ZINC000121321878 551231645 /nfs/dbraw/zinc/23/16/45/551231645.db2.gz QNIDMZRCGKYKHX-LLVKDONJSA-N -1 3 381.274 2.725 10 0 GFAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)c2ccc(C)c(F)c2)s1 ZINC000151595521 551417833 /nfs/dbraw/zinc/41/78/33/551417833.db2.gz NFHVJMLBCIKXET-NSHDSACASA-N -1 3 385.486 2.664 10 0 GFAEHM CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000157045482 551532500 /nfs/dbraw/zinc/53/25/00/551532500.db2.gz TYLMWQNRMBYEHP-NSHDSACASA-N -1 3 375.281 2.961 10 0 GFAEHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Cl)C12CCOCC2 ZINC000185151522 552355949 /nfs/dbraw/zinc/35/59/49/552355949.db2.gz YIPSLWPQIPFHJP-GJZGRUSLSA-N -1 3 377.865 2.732 10 0 GFAEHM Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188089486 552434543 /nfs/dbraw/zinc/43/45/43/552434543.db2.gz WVRBCYGILLKYLE-SECBINFHSA-N -1 3 379.244 2.846 10 0 GFAEHM CCN1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)C1 ZINC000248712396 553133955 /nfs/dbraw/zinc/13/39/55/553133955.db2.gz QJQQKHJYKFCCBU-UKRRQHHQSA-N -1 3 390.933 2.516 10 0 GFAEHM CN(CC(=O)[O-])C[C@@H]1CN(Cc2ccc(Cl)c(C(F)(F)F)c2)CCO1 ZINC000263469387 553188116 /nfs/dbraw/zinc/18/81/16/553188116.db2.gz DHVSXQCNIIFFIQ-GFCCVEGCSA-N -1 3 380.794 2.576 10 0 GFAEHM C[C@H]1NC(=O)CC[C@@H]1NCc1cc(Br)c([O-])c(Br)c1 ZINC000392906769 563527792 /nfs/dbraw/zinc/52/77/92/563527792.db2.gz XHIQFXHYBYWXGR-HQJQHLMTSA-N -1 3 392.091 2.674 10 0 GFAEHM CCCN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)C4CC4)ccc3n2)CC1 ZINC000033260831 570866177 /nfs/dbraw/zinc/86/61/77/570866177.db2.gz FPPMIVSSNMSJOK-UHFFFAOYSA-N -1 3 382.464 2.814 10 0 GFAEHM O=S(=O)([N-][C@H]1CCCn2ncnc21)c1ccc(Cl)cc1C(F)(F)F ZINC000176745568 655254736 /nfs/dbraw/zinc/25/47/36/655254736.db2.gz ZSDPBIMBRWNZDV-JTQLQIEISA-N -1 3 380.779 2.764 10 0 GFAEHM Cc1cc(N(C)C)nc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)n1 ZINC000224190383 206014467 /nfs/dbraw/zinc/01/44/67/206014467.db2.gz RGJFVFOUUKYFGC-UHFFFAOYSA-N -1 3 375.281 2.636 10 0 GFAEHM CCc1ccc([C@@H]2CCCCN2C(=O)C[N-]S(=O)(=O)c2cccs2)o1 ZINC000129391906 551356852 /nfs/dbraw/zinc/35/68/52/551356852.db2.gz URAULNZAZRFDDF-AWEZNQCLSA-N -1 3 382.507 2.936 10 0 GFAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Cl)C12CCOCC2 ZINC000185151503 552355321 /nfs/dbraw/zinc/35/53/21/552355321.db2.gz YIPSLWPQIPFHJP-LSDHHAIUSA-N -1 3 377.865 2.732 10 0 GFAEHM CO[C@@H](C)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000189270086 552467590 /nfs/dbraw/zinc/46/75/90/552467590.db2.gz NQLJUQAOSCQVQS-LBPRGKRZSA-N -1 3 382.869 2.906 10 0 GFAEHM CCN1CCC[C@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000380153304 563514314 /nfs/dbraw/zinc/51/43/14/563514314.db2.gz XQWHJJRZQJSKGB-JTQLQIEISA-N -1 3 381.723 2.865 10 0 GFAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@@H](C)COCc1ccccc1 ZINC000390409962 563523006 /nfs/dbraw/zinc/52/30/06/563523006.db2.gz DLDQCKUXSADKGN-ZDUSSCGKSA-N -1 3 383.491 2.727 10 0 GFAEHM Cn1cc([C@H]2CCCN2C(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000126167532 654809857 /nfs/dbraw/zinc/80/98/57/654809857.db2.gz KVEALQONHSRIMZ-CQSZACIVSA-N -1 3 379.258 2.935 10 0 GFAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)ccc1F ZINC000177438271 655277016 /nfs/dbraw/zinc/27/70/16/655277016.db2.gz NTACFEARRKMYBP-OAHLLOKOSA-N -1 3 382.844 2.805 10 0 GFAEHM Cc1ccc(Oc2[n-]cnc(=NNS(=O)(=O)c3ccc(C)cc3)c2N)cc1 ZINC000040794657 205072742 /nfs/dbraw/zinc/07/27/42/205072742.db2.gz QQUPVMKFPXZNBP-UHFFFAOYSA-N -1 3 385.449 2.773 10 0 GFAEHM Cc1cc(C)cc(N2CC[C@@H]([N-]S(=O)(=O)Cc3ccccc3F)C2=O)c1 ZINC000065229331 205220906 /nfs/dbraw/zinc/22/09/06/205220906.db2.gz HXZQJQYQYHGRMT-GOSISDBHSA-N -1 3 376.453 2.667 10 0 GFAEHM N[C@H](CO)c1c(Br)cc(Br)c([O-])c1Br ZINC000072199967 205318350 /nfs/dbraw/zinc/31/83/50/205318350.db2.gz PLEFWLPVXQTWQI-RXMQYKEDSA-N -1 3 389.869 2.672 10 0 GFAEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)Cc1cccc(Cl)c1 ZINC000068324071 551191452 /nfs/dbraw/zinc/19/14/52/551191452.db2.gz WZFYBATWBNHYLJ-GFCCVEGCSA-N -1 3 384.860 2.805 10 0 GFAEHM C[C@H]1CN([C@@H](C[N-]S(=O)(=O)c2ccccc2F)c2cccs2)CCO1 ZINC000175223213 552118412 /nfs/dbraw/zinc/11/84/12/552118412.db2.gz FKCQRLRIRVMEDU-ZFWWWQNUSA-N -1 3 384.498 2.628 10 0 GFAEHM COc1cc(Cl)c(S(=O)(=O)[N-][C@H]2CCCn3nc(C)nc32)cc1Cl ZINC000177003295 552149458 /nfs/dbraw/zinc/14/94/58/552149458.db2.gz GCEKBTSJLVJRIN-NSHDSACASA-N -1 3 391.280 2.715 10 0 GFAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000193271350 552988476 /nfs/dbraw/zinc/98/84/76/552988476.db2.gz UNMZUUUEUBOGCO-VHSXEESVSA-N -1 3 399.460 2.577 10 0 GFAEHM O=S(=O)([N-]C[C@@H]1CCCC[C@H]1O)c1ccc(Cl)c(Br)c1 ZINC000236534756 553069086 /nfs/dbraw/zinc/06/90/86/553069086.db2.gz NFDSZKUAXWXWPP-TVQRCGJNSA-N -1 3 382.707 2.932 10 0 GFAEHM COc1c2cc(-c3ccc([O-])cc3O)c(=O)oc2cc2c1CC[C@@](C)(CO)O2 ZINC000003644977 560123918 /nfs/dbraw/zinc/12/39/18/560123918.db2.gz MOBCUWLJOZHPQL-NRFANRHFSA-N -1 3 384.384 2.956 10 0 endogenous,in-man GFAEHM COc1c2cc(-c3ccc(O)cc3[O-])c(=O)oc2cc2c1CC[C@@](C)(CO)O2 ZINC000003644977 560123920 /nfs/dbraw/zinc/12/39/20/560123920.db2.gz MOBCUWLJOZHPQL-NRFANRHFSA-N -1 3 384.384 2.956 10 0 endogenous,in-man GFAEHM COC(=O)c1scc(C)c1[N-]C(=O)c1sc2ncn(C)c(=O)c2c1C ZINC000006720570 204194146 /nfs/dbraw/zinc/19/41/46/204194146.db2.gz POCJMPPVKYSYLG-UHFFFAOYSA-N -1 3 377.447 2.712 10 0 GFAEHM CCN(CC[NH+](C)C)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1C(=O)[O-] ZINC000033253548 204951490 /nfs/dbraw/zinc/95/14/90/204951490.db2.gz DAUVWPQNUWDKOV-UHFFFAOYSA-N -1 3 391.493 2.574 10 0 GFAEHM Cc1cc(C)cc(N2CC[C@H]([N-]S(=O)(=O)Cc3ccccc3F)C2=O)c1 ZINC000065229330 205220957 /nfs/dbraw/zinc/22/09/57/205220957.db2.gz HXZQJQYQYHGRMT-SFHVURJKSA-N -1 3 376.453 2.667 10 0 GFAEHM CC(C)C[C@@H](CN(C)C)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000188221905 552439758 /nfs/dbraw/zinc/43/97/58/552439758.db2.gz HMBWVVCSTXPUDY-LBPRGKRZSA-N -1 3 381.311 2.843 10 0 GFAEHM CC(C)C[C@@H](CN(C)C)NC(=O)c1ccc(I)c([O-])c1 ZINC000230890639 553065776 /nfs/dbraw/zinc/06/57/76/553065776.db2.gz RALPDRYSCOKAOQ-LBPRGKRZSA-N -1 3 390.265 2.703 10 0 GFAEHM CCN1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2O[C@H](C)COC)C1 ZINC000248712392 553133756 /nfs/dbraw/zinc/13/37/56/553133756.db2.gz QJQQKHJYKFCCBU-HIFRSBDPSA-N -1 3 390.933 2.516 10 0 GFAEHM O=S(=O)([N-]C[C@@H]1CCCC[C@@H]1O)c1c(Cl)cccc1Br ZINC000312927916 563437815 /nfs/dbraw/zinc/43/78/15/563437815.db2.gz XNEDZXANNYHSEG-CABZTGNLSA-N -1 3 382.707 2.932 10 0 GFAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000177402318 655275385 /nfs/dbraw/zinc/27/53/85/655275385.db2.gz OFIXEDDXQCOYBL-WDEREUQCSA-N -1 3 382.379 2.585 10 0 GFAEHM C[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C(C)(C)C)C[C@H](C)N1 ZINC000005929712 204157040 /nfs/dbraw/zinc/15/70/40/204157040.db2.gz ZKXANRKOHXSTKC-TXEJJXNPSA-N -1 3 375.444 2.780 10 0 GFAEHM Cc1cc(N2CCCCS2(=O)=O)ccc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000012208091 204384050 /nfs/dbraw/zinc/38/40/50/204384050.db2.gz BKAFUQMZSBSYAD-UHFFFAOYSA-N -1 3 398.481 2.865 10 0 GFAEHM CCN1CCC[C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000040503791 551134975 /nfs/dbraw/zinc/13/49/75/551134975.db2.gz AYRQCIANDVNQEZ-LLVKDONJSA-N -1 3 381.723 2.865 10 0 GFAEHM Cc1noc([C@H](C)N2CCN(Cc3cc([O-])ccc3Br)CC2)n1 ZINC000121322021 551231694 /nfs/dbraw/zinc/23/16/94/551231694.db2.gz QNIDMZRCGKYKHX-NSHDSACASA-N -1 3 381.274 2.725 10 0 GFAEHM CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000157045648 551532724 /nfs/dbraw/zinc/53/27/24/551532724.db2.gz TYLMWQNRMBYEHP-LLVKDONJSA-N -1 3 375.281 2.961 10 0 GFAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)c2ccc(Cl)s2)s1 ZINC000193271302 552988468 /nfs/dbraw/zinc/98/84/68/552988468.db2.gz SUDMMEICCBJDAI-QMMMGPOBSA-N -1 3 393.943 2.932 10 0 GFAEHM O=S(=O)([N-][C@@H]1CCCC[C@H]1CO)c1ccc(Cl)c(Br)c1 ZINC000236504275 553069107 /nfs/dbraw/zinc/06/91/07/553069107.db2.gz XTQHCDAOCAEPND-TVQRCGJNSA-N -1 3 382.707 2.932 10 0 GFAEHM COc1ccsc1S(=O)(=O)[N-]C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328619965 563461704 /nfs/dbraw/zinc/46/17/04/563461704.db2.gz GOPGAWKOZHMQAP-VIFPVBQESA-N -1 3 395.428 2.513 10 0 GFAEHM O=S(=O)(Cc1ccc(Cl)nc1)[N-]C1(c2noc(C3CC3)n2)CCCC1 ZINC000177583547 655282375 /nfs/dbraw/zinc/28/23/75/655282375.db2.gz IQEWAQIQGOBLHP-UHFFFAOYSA-N -1 3 382.873 2.884 10 0 GFAEHM COc1c(O)cc(-c2cc([O-])c3c(=O)c(OC)c(OC)c(OC)c-3o2)cc1O ZINC000002572320 203824432 /nfs/dbraw/zinc/82/44/32/203824432.db2.gz PKCHTMJVPXNXSA-UHFFFAOYSA-N -1 3 390.344 2.611 10 0 GFAEHM COc1c(O)cc(-c2cc(=O)c3c([O-])c(OC)c(OC)c(OC)c3o2)cc1O ZINC000002572320 203824436 /nfs/dbraw/zinc/82/44/36/203824436.db2.gz PKCHTMJVPXNXSA-UHFFFAOYSA-N -1 3 390.344 2.611 10 0 GFAEHM CN1CCCN(c2ccc(NC(=O)COc3ccccc3)c(C(=O)[O-])c2)CC1 ZINC000064589132 205191939 /nfs/dbraw/zinc/19/19/39/205191939.db2.gz ZSUNYVBIGHUREL-UHFFFAOYSA-N -1 3 383.448 2.544 10 0 GFAEHM CC(C)C[C@@H](CN(C)C)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000040446198 551134925 /nfs/dbraw/zinc/13/49/25/551134925.db2.gz YIQXSRWKZNBTLM-LBPRGKRZSA-N -1 3 381.311 2.843 10 0 GFAEHM Cc1nc(C)c(CCC(=O)N[C@@H](C)c2cccc(Br)c2)c(=O)[n-]1 ZINC000121248396 551230880 /nfs/dbraw/zinc/23/08/80/551230880.db2.gz INLBSSFUAPVQBH-JTQLQIEISA-N -1 3 378.270 2.959 10 0 GFAEHM CCN(CC)C(=O)[C@@H]1CCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126281077 551327474 /nfs/dbraw/zinc/32/74/74/551327474.db2.gz VFTIXJNKJCIBAH-AWEZNQCLSA-N -1 3 398.301 2.697 10 0 GFAEHM C[C@@H]1CCc2c(sc(NC(=O)CN(C)C3CCN(C)CC3)c2C(=O)[O-])C1 ZINC000020342279 207188146 /nfs/dbraw/zinc/18/81/46/207188146.db2.gz CPBZQCNNQNVLMH-GFCCVEGCSA-N -1 3 379.526 2.536 10 0 GFAEHM Cc1nc(-c2cc(=O)[n-]c(-c3cccc(CN4CCC(O)CC4)c3)n2)cs1 ZINC000023540824 207278463 /nfs/dbraw/zinc/27/84/63/207278463.db2.gz ORBRNNPPHCGYEJ-UHFFFAOYSA-N -1 3 382.489 2.826 10 0 GFAEHM Cc1cc(N2CCN(CC(=O)[O-])CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073685682 525081697 /nfs/dbraw/zinc/08/16/97/525081697.db2.gz ZZDRLXWAOPNWTQ-UHFFFAOYSA-N -1 3 380.370 2.677 10 0 GFAEHM COc1cccc(-c2cc(=O)[n-]c(N3CCN(c4ccc(F)cc4)CC3)n2)c1 ZINC000057341656 525698881 /nfs/dbraw/zinc/69/88/81/525698881.db2.gz KWQXYFYCAQCQBC-UHFFFAOYSA-N -1 3 380.423 2.911 10 0 GFAEHM Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000177004034 552149302 /nfs/dbraw/zinc/14/93/02/552149302.db2.gz XFVSYXJQVZEDLB-LLVKDONJSA-N -1 3 378.351 2.558 10 0 GFAEHM Cc1ccc2c(c1)[C@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)[C@@H](C)C2 ZINC000181228191 552250851 /nfs/dbraw/zinc/25/08/51/552250851.db2.gz KVAQCAAKOCXCLR-SCLBCKFNSA-N -1 3 378.519 2.775 10 0 GFAEHM O=C(NCc1ccc([O-])c(Br)c1)N1CCO[C@H](c2nccs2)C1 ZINC000126251352 654811273 /nfs/dbraw/zinc/81/12/73/654811273.db2.gz MUOJPCSEEYOXFE-ZDUSSCGKSA-N -1 3 398.282 2.894 10 0 GFAEHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC(c2cc[nH]n2)CC1 ZINC000126251111 654811428 /nfs/dbraw/zinc/81/14/28/654811428.db2.gz PLTTXQWNJAQYFB-UHFFFAOYSA-N -1 3 379.258 2.967 10 0 GFAEHM CN(Cc1cc[nH]n1)Cc1cccc(-c2nc(C3CCOCC3)cc(=O)[n-]2)c1 ZINC000023543774 206252540 /nfs/dbraw/zinc/25/25/40/206252540.db2.gz VFSAZNNNNXKVBF-UHFFFAOYSA-N -1 3 379.464 2.686 10 0 GFAEHM COc1c2cc(-c3ccc([O-])cc3O)c(=O)oc2cc2c1CC[C@](C)(CO)O2 ZINC000003644978 206292744 /nfs/dbraw/zinc/29/27/44/206292744.db2.gz MOBCUWLJOZHPQL-OAQYLSRUSA-N -1 3 384.384 2.956 10 0 endogenous,in-man GFAEHM COc1c2cc(-c3ccc(O)cc3[O-])c(=O)oc2cc2c1CC[C@](C)(CO)O2 ZINC000003644978 206292749 /nfs/dbraw/zinc/29/27/49/206292749.db2.gz MOBCUWLJOZHPQL-OAQYLSRUSA-N -1 3 384.384 2.956 10 0 endogenous,in-man GFAEHM CN(C[C@@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1c[n-]c2cc(Cl)ccc2c1=O ZINC000020109554 207177645 /nfs/dbraw/zinc/17/76/45/207177645.db2.gz HRAYXIFSKINPEW-LBPRGKRZSA-N -1 3 389.883 2.901 10 0 GFAEHM O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cnc(-c2ccncc2)[n-]c1=O ZINC000091536829 208124382 /nfs/dbraw/zinc/12/43/82/208124382.db2.gz QXOMTTKIGWUUQO-LJQANCHMSA-N -1 3 389.459 2.811 10 0 GFAEHM COc1ccc(S(=O)(=O)[N-]c2cc(S(C)(=O)=O)ccc2Cl)cc1 ZINC000003360139 551093178 /nfs/dbraw/zinc/09/31/78/551093178.db2.gz NYSWCFIOYNVDDJ-UHFFFAOYSA-N -1 3 375.855 2.553 10 0 GFAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)c2cccc(Cl)c2)s1 ZINC000126872736 551333841 /nfs/dbraw/zinc/33/38/41/551333841.db2.gz LRBMGYXTYIWPRU-JTQLQIEISA-N -1 3 387.914 2.870 10 0 GFAEHM O=S(=O)([N-][C@@H]1CCCn2ncnc21)c1ccc(C(F)(F)F)cc1Cl ZINC000155739903 551506946 /nfs/dbraw/zinc/50/69/46/551506946.db2.gz GBNNTTFVVOEQLU-SNVBAGLBSA-N -1 3 380.779 2.764 10 0 GFAEHM C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000156552087 551524667 /nfs/dbraw/zinc/52/46/67/551524667.db2.gz WKWFESKOYOHZHV-LLVKDONJSA-N -1 3 392.253 2.981 10 0 GFAEHM CC(C)C[C@@H](CN(C)C)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161993314 551601792 /nfs/dbraw/zinc/60/17/92/551601792.db2.gz OAENXCDSWHGJAS-LBPRGKRZSA-N -1 3 381.311 2.843 10 0 GFAEHM CC(C)N1C[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)[C@@H](C)C1 ZINC000173883709 552095119 /nfs/dbraw/zinc/09/51/19/552095119.db2.gz MEXISAVLXHBZNW-GWCFXTLKSA-N -1 3 379.295 2.595 10 0 GFAEHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)C(C)(C)C ZINC000097588824 655036448 /nfs/dbraw/zinc/03/64/48/655036448.db2.gz JQWCEATXZUFHGW-NSHDSACASA-N -1 3 398.706 2.969 10 0 GFAEHM Cc1nc(-c2ccc(C(F)(F)F)cc2)nc(N2CCN(CC(=O)[O-])CC2)c1C ZINC000073685700 526564932 /nfs/dbraw/zinc/56/49/32/526564932.db2.gz HFANVVWPFRSGJW-UHFFFAOYSA-N -1 3 394.397 2.986 10 0 GFAEHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000126301033 551328027 /nfs/dbraw/zinc/32/80/27/551328027.db2.gz VPNNUICCUDJPAS-GUYCJALGSA-N -1 3 383.286 2.991 10 0 GFAEHM C[C@H](NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1cccs1 ZINC000179034960 552182715 /nfs/dbraw/zinc/18/27/15/552182715.db2.gz ZSQUXDRRGMCARG-VIFPVBQESA-N -1 3 393.943 2.802 10 0 GFAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Cl)C12CCOCC2 ZINC000185151543 552355953 /nfs/dbraw/zinc/35/59/53/552355953.db2.gz YIPSLWPQIPFHJP-HUUCEWRRSA-N -1 3 377.865 2.732 10 0 GFAEHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C12CCOCC2 ZINC000185156793 552355976 /nfs/dbraw/zinc/35/59/76/552355976.db2.gz PHBFCLDXNKUMDW-CABCVRRESA-N -1 3 377.865 2.732 10 0 GFAEHM Cc1cc(N(C)C)nc(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000224190305 553057661 /nfs/dbraw/zinc/05/76/61/553057661.db2.gz XDPOIIGZIDFZSX-UHFFFAOYSA-N -1 3 375.281 2.636 10 0 GFAEHM O=S(=O)([N-][C@H]1CCCC[C@H]1CO)c1ccc(Cl)c(Br)c1 ZINC000236495747 553069118 /nfs/dbraw/zinc/06/91/18/553069118.db2.gz XTQHCDAOCAEPND-ZANVPECISA-N -1 3 382.707 2.932 10 0 GFAEHM O=S(=O)([N-]C[C@H]1CCCC[C@@H]1O)c1ccc(Cl)c(Br)c1 ZINC000236560294 553069205 /nfs/dbraw/zinc/06/92/05/553069205.db2.gz NFDSZKUAXWXWPP-RNCFNFMXSA-N -1 3 382.707 2.932 10 0 GFAEHM Cn1cc([C@@H]2CCCN2C(=O)NCc2ccc([O-])c(Br)c2)cn1 ZINC000126167334 654809846 /nfs/dbraw/zinc/80/98/46/654809846.db2.gz KVEALQONHSRIMZ-AWEZNQCLSA-N -1 3 379.258 2.935 10 0 GFAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(Cl)s2)ccc1F ZINC000177400839 655275157 /nfs/dbraw/zinc/27/51/57/655275157.db2.gz FRWYAOGXBYFPKC-MRVPVSSYSA-N -1 3 376.862 2.940 10 0 GFAEHM O=c1cc(COc2ccccc2)nc(-c2cccc(CN3CC[C@H](O)C3)c2)[n-]1 ZINC000023368180 206252438 /nfs/dbraw/zinc/25/24/38/206252438.db2.gz BATSYTDNJWYWSQ-IBGZPJMESA-N -1 3 377.444 2.583 10 0 GFAEHM CCc1c(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)c(=O)[nH]c2ncnn21 ZINC000033895363 206305361 /nfs/dbraw/zinc/30/53/61/206305361.db2.gz BUXFFAWOZAKDFS-UHFFFAOYSA-N -1 3 398.430 2.830 10 0 GFAEHM CCc1c(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)c(=O)[nH]c2ncnn21 ZINC000033895363 206305363 /nfs/dbraw/zinc/30/53/63/206305363.db2.gz BUXFFAWOZAKDFS-UHFFFAOYSA-N -1 3 398.430 2.830 10 0 GFAEHM CC(C)c1ccn(C2(C(=O)[O-])CCN(Cc3ccc4c(c3)OCCO4)CC2)n1 ZINC000077516543 208049914 /nfs/dbraw/zinc/04/99/14/208049914.db2.gz ZJVJUDLKNXKESV-UHFFFAOYSA-N -1 3 385.464 2.854 10 0 GFAEHM O=c1cc(C(F)(F)F)nc(NCCCN2CCN(c3ccccc3F)CC2)[n-]1 ZINC000057342530 527473988 /nfs/dbraw/zinc/47/39/88/527473988.db2.gz PQVRKAYCRDLSOA-UHFFFAOYSA-N -1 3 399.392 2.552 10 0 GFAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCCc3ccccc32)cc1F ZINC000153676971 551458185 /nfs/dbraw/zinc/45/81/85/551458185.db2.gz MBBMQGNVVLFFSE-INIZCTEOSA-N -1 3 383.466 2.585 10 0 GFAEHM Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000177003741 552149637 /nfs/dbraw/zinc/14/96/37/552149637.db2.gz JNBJNACWHBZYIB-NSHDSACASA-N -1 3 378.351 2.558 10 0 GFAEHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@@H]2COc3ccccc32)cc1Cl ZINC000104739179 655085168 /nfs/dbraw/zinc/08/51/68/655085168.db2.gz AHUQIJDIZQNKKK-CQSZACIVSA-N -1 3 384.816 2.850 10 0 GFAEHM COc1cccnc1CCCCNc1ncc(Cc2ccc(C)nc2)c(=O)[n-]1 ZINC000008144430 206295248 /nfs/dbraw/zinc/29/52/48/206295248.db2.gz GJCSPRIRQYWXRW-UHFFFAOYSA-N -1 3 379.464 2.903 10 0 in-man GFAEHM Cc1ccc(-c2nc(CN3CCC(C(=O)Nc4ncccc4[O-])CC3)no2)cc1 ZINC000021724319 207236373 /nfs/dbraw/zinc/23/63/73/207236373.db2.gz UNTUYKMBHLMZTA-UHFFFAOYSA-N -1 3 393.447 2.996 10 0 GFAEHM C[C@H]1C(=O)NCCN1Cc1cccc(-c2nc(-c3ccc(F)cc3)cc(=O)[n-]2)c1 ZINC000023431043 207278727 /nfs/dbraw/zinc/27/87/27/207278727.db2.gz RAMQSNGHBLQLKZ-AWEZNQCLSA-N -1 3 392.434 2.563 10 0 GFAEHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1nnc2n1CCCC2 ZINC000121764169 551241727 /nfs/dbraw/zinc/24/17/27/551241727.db2.gz UNSMWAQDCJKZQL-SECBINFHSA-N -1 3 375.281 2.961 10 0 GFAEHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000131037975 551371498 /nfs/dbraw/zinc/37/14/98/551371498.db2.gz WFFPXAPONOCOOQ-JTQLQIEISA-N -1 3 391.873 2.922 10 0 GFAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000173963759 552095732 /nfs/dbraw/zinc/09/57/32/552095732.db2.gz IMTANQZXNXKLEY-LLVKDONJSA-N -1 3 379.873 2.607 10 0 GFAEHM O=C(N[C@@H]1CCCC[C@@H]1CO)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000179255311 552188628 /nfs/dbraw/zinc/18/86/28/552188628.db2.gz OYDHTLIHFZHNQC-ZWNOBZJWSA-N -1 3 379.254 2.572 10 0 GFAEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCc3nnc(C(C)C)n3C2)c(Cl)cc1F ZINC000181727152 552266198 /nfs/dbraw/zinc/26/61/98/552266198.db2.gz LQUQIUHMKPGDBY-LLVKDONJSA-N -1 3 386.880 2.796 10 0 GFAEHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C12CCOCC2 ZINC000185154680 552355631 /nfs/dbraw/zinc/35/56/31/552355631.db2.gz SKIBFBDNKOZBPN-STQMWFEESA-N -1 3 395.308 2.641 10 0 GFAEHM CC[N@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C1 ZINC000262469684 553171391 /nfs/dbraw/zinc/17/13/91/553171391.db2.gz NPNMEPQILJBLCM-UHFFFAOYSA-N -1 3 395.308 2.518 10 0 GFAEHM CC[N@@H+](CC(=O)[O-])C1CC([N-]S(=O)(=O)c2c(Cl)ccc(C)c2Cl)C1 ZINC000262469684 553171392 /nfs/dbraw/zinc/17/13/92/553171392.db2.gz NPNMEPQILJBLCM-UHFFFAOYSA-N -1 3 395.308 2.518 10 0 GFAEHM Cn1c2cc(Cl)c([N-]S(=O)(=O)c3ccc4c(c3)CCC4)cc2n(C)c1=O ZINC000064591953 570490050 /nfs/dbraw/zinc/49/00/50/570490050.db2.gz JPZMUHCXFYUMTR-UHFFFAOYSA-N -1 3 391.880 2.820 10 0 GFAEHM O=C([O-])CN1CCN(c2cc(-c3ccccn3)nc(-c3cccc(F)c3)n2)CC1 ZINC000073685477 527611536 /nfs/dbraw/zinc/61/15/36/527611536.db2.gz SLASVJSPVZSBSQ-UHFFFAOYSA-N -1 3 393.422 2.551 10 0 GFAEHM O=S(=O)([N-]C[C@H]1CCCC[C@H]1O)c1cc(Br)ccc1Cl ZINC000121356880 551232675 /nfs/dbraw/zinc/23/26/75/551232675.db2.gz XQADPZHZJJPHSF-BXKDBHETSA-N -1 3 382.707 2.932 10 0 GFAEHM CCCC(=O)N[C@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000126316158 551328112 /nfs/dbraw/zinc/32/81/12/551328112.db2.gz RPANHIYZPWNEDK-ZDUSSCGKSA-N -1 3 398.301 2.745 10 0 GFAEHM C[C@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1nnc2n1CCCC2 ZINC000153448410 551452606 /nfs/dbraw/zinc/45/26/06/551452606.db2.gz ZAMLLDQHBGTKIL-JTQLQIEISA-N -1 3 394.273 2.643 10 0 GFAEHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2ccccc2F)N2CCOCC2)s1 ZINC000175217460 552117795 /nfs/dbraw/zinc/11/77/95/552117795.db2.gz SVXYQRRGEIFONY-HNNXBMFYSA-N -1 3 384.498 2.547 10 0 GFAEHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)[C@@H](C)C2 ZINC000180598154 552231375 /nfs/dbraw/zinc/23/13/75/552231375.db2.gz OXBQHFNEMFDFNX-SCLBCKFNSA-N -1 3 379.503 2.610 10 0 GFAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C12CCOCC2 ZINC000185148148 552355398 /nfs/dbraw/zinc/35/53/98/552355398.db2.gz PKWXLTRIPIZGFF-LSDHHAIUSA-N -1 3 377.865 2.732 10 0 GFAEHM CN(CC(=O)[O-])C[C@@H]1CN(c2ncc(-c3ccc(Cl)cc3)s2)CCO1 ZINC000263400071 553187665 /nfs/dbraw/zinc/18/76/65/553187665.db2.gz ISBMYDGXXURHDU-CQSZACIVSA-N -1 3 381.885 2.685 10 0 GFAEHM CCOCCN1CCN(C(=O)c2ccc(Br)cc2[O-])C[C@H]1CC ZINC000116977163 655258203 /nfs/dbraw/zinc/25/82/03/655258203.db2.gz ADNKSMZVUMOCRJ-CQSZACIVSA-N -1 3 385.302 2.728 10 0 GFAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N[C@H]1CCc2cc(Cl)ccc21 ZINC000120331189 551219475 /nfs/dbraw/zinc/21/94/75/551219475.db2.gz UAEIDGSWSGAYMY-AWEZNQCLSA-N -1 3 399.925 2.667 10 0 GFAEHM C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1nnc2n1CCCC2 ZINC000121704425 551240141 /nfs/dbraw/zinc/24/01/41/551240141.db2.gz CRYRJLOXALYUKA-VIFPVBQESA-N -1 3 375.281 2.961 10 0 GFAEHM CCN1CCC[C@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000172001749 551668571 /nfs/dbraw/zinc/66/85/71/551668571.db2.gz WUWQZCFTUBRPFI-LBPRGKRZSA-N -1 3 378.270 2.505 10 0 GFAEHM Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000178123628 552164543 /nfs/dbraw/zinc/16/45/43/552164543.db2.gz LJXQKIBSFPJUQC-LLVKDONJSA-N -1 3 389.445 2.716 10 0 GFAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C12CCOCC2 ZINC000185154699 552355676 /nfs/dbraw/zinc/35/56/76/552355676.db2.gz SKIBFBDNKOZBPN-CHWSQXEVSA-N -1 3 395.308 2.641 10 0 GFAEHM Cc1ccccc1[C@H](C)NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000135418792 655016181 /nfs/dbraw/zinc/01/61/81/655016181.db2.gz CUAFMYDBIHJOTN-LBPRGKRZSA-N -1 3 386.470 2.545 10 0 GFAEHM COC(=O)[C@H]([N-]S(=O)(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC000120117916 655328246 /nfs/dbraw/zinc/32/82/46/655328246.db2.gz YCOHBJQTRNGBDV-OAHLLOKOSA-N -1 3 398.278 2.783 10 0 GFAEHM O=S(=O)([N-]C[C@@H]1CCCC[C@@H]1O)c1cc(Br)ccc1Cl ZINC000121356436 551233010 /nfs/dbraw/zinc/23/30/10/551233010.db2.gz XQADPZHZJJPHSF-CABZTGNLSA-N -1 3 382.707 2.932 10 0 GFAEHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3ccccc32)cc1F ZINC000153676859 551458093 /nfs/dbraw/zinc/45/80/93/551458093.db2.gz MBBMQGNVVLFFSE-MRXNPFEDSA-N -1 3 383.466 2.585 10 0 GFAEHM Cc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)[C@@H](C)C2 ZINC000180598176 552231373 /nfs/dbraw/zinc/23/13/73/552231373.db2.gz OXBQHFNEMFDFNX-UGSOOPFHSA-N -1 3 379.503 2.610 10 0 GFAEHM CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000185154406 552355660 /nfs/dbraw/zinc/35/56/60/552355660.db2.gz YEMOEFPTOOJNCT-ZIAGYGMSSA-N -1 3 386.901 2.594 10 0 GFAEHM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)N1CCN2CCC[C@@H]2C1 ZINC000195320733 553044860 /nfs/dbraw/zinc/04/48/60/553044860.db2.gz UJJTYNWKEZCUSC-CQSZACIVSA-N -1 3 377.901 2.568 10 0 GFAEHM CN(CC(=O)[O-])C[C@H]1CN(c2ncc(-c3ccc(Cl)cc3)s2)CCO1 ZINC000263400070 553187290 /nfs/dbraw/zinc/18/72/90/553187290.db2.gz ISBMYDGXXURHDU-AWEZNQCLSA-N -1 3 381.885 2.685 10 0 GFAEHM NCc1ccc(S(=O)(=O)[N-]c2cccc(I)c2)s1 ZINC000034975288 570548675 /nfs/dbraw/zinc/54/86/75/570548675.db2.gz OXEVGCKAMBZZEC-UHFFFAOYSA-N -1 3 394.259 2.612 10 0 GFAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@@H]1CCCc2ccccc21 ZINC000133879558 654976201 /nfs/dbraw/zinc/97/62/01/654976201.db2.gz TUPIRDNJBORFBE-CYBMUJFWSA-N -1 3 384.910 2.874 10 0 GFAEHM CS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)Cc3ccccc3)cc2s1 ZINC000033298966 551134093 /nfs/dbraw/zinc/13/40/93/551134093.db2.gz VLVQVHPPFHXBGV-UHFFFAOYSA-N -1 3 382.488 2.642 10 0 GFAEHM CCc1ccc([C@H](C)NC(=O)NCc2ccc(S(=O)(=O)[N-]C)s2)cc1 ZINC000126950978 551334736 /nfs/dbraw/zinc/33/47/36/551334736.db2.gz NPEQKYOYUBMBGC-LBPRGKRZSA-N -1 3 381.523 2.779 10 0 GFAEHM CCc1ccc([C@H]2CCCCN2C(=O)C[N-]S(=O)(=O)c2cccs2)o1 ZINC000129392132 551356748 /nfs/dbraw/zinc/35/67/48/551356748.db2.gz URAULNZAZRFDDF-CQSZACIVSA-N -1 3 382.507 2.936 10 0 GFAEHM COc1cc(Br)c(S(=O)(=O)[N-][C@H](C)[C@H]2CCCO2)cc1Cl ZINC000176829701 552146991 /nfs/dbraw/zinc/14/69/91/552146991.db2.gz HJXSRFICYJHNMF-LDYMZIIASA-N -1 3 398.706 2.957 10 0 GFAEHM Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)[N-]S(=O)(=O)c1cccs1)[C@H](C)C2 ZINC000181115076 552246840 /nfs/dbraw/zinc/24/68/40/552246840.db2.gz CQDXKTHDTGFTCO-PBFPGSCMSA-N -1 3 378.519 2.773 10 0 GFAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C12CCOCC2 ZINC000185154659 552355848 /nfs/dbraw/zinc/35/58/48/552355848.db2.gz SKIBFBDNKOZBPN-QWHCGFSZSA-N -1 3 395.308 2.641 10 0 GFAEHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCn3ccnc3C2)c(Cl)c1Cl ZINC000328637929 563462521 /nfs/dbraw/zinc/46/25/21/563462521.db2.gz WCNXWELPYZHODA-SNVBAGLBSA-N -1 3 390.292 2.739 10 0 GFAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000177402368 655275391 /nfs/dbraw/zinc/27/53/91/655275391.db2.gz OFIXEDDXQCOYBL-MNOVXSKESA-N -1 3 382.379 2.585 10 0 GFAEHM CC(C)=CCN1CC2(CC1=O)CCN(Cc1ccc(OCC(=O)[O-])cc1)CC2 ZINC000091876815 211209317 /nfs/dbraw/zinc/20/93/17/211209317.db2.gz XFPFEFITXZBSNP-UHFFFAOYSA-N -1 3 386.492 2.931 10 0 GFAEHM O=c1cc(Cc2cccc(F)c2)nc(-c2ccccc2CN2CCOCC2)[n-]1 ZINC000020534380 210345980 /nfs/dbraw/zinc/34/59/80/210345980.db2.gz RQXOLWCJMJXSQU-UHFFFAOYSA-N -1 3 379.435 2.999 10 0 GFAEHM CC(C)CC(=O)N[C@@H](C(=O)NCc1ccc([O-])c(Br)c1)C(C)C ZINC000151622218 551418267 /nfs/dbraw/zinc/41/82/67/551418267.db2.gz RPSGMFLIRXJEIS-MRXNPFEDSA-N -1 3 385.302 2.958 10 0 GFAEHM CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000185153383 552355756 /nfs/dbraw/zinc/35/57/56/552355756.db2.gz WHAUKHDRVHFAQJ-ZIAGYGMSSA-N -1 3 386.901 2.594 10 0 GFAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C12CCOCC2 ZINC000185156734 552355929 /nfs/dbraw/zinc/35/59/29/552355929.db2.gz PHBFCLDXNKUMDW-LSDHHAIUSA-N -1 3 377.865 2.732 10 0 GFAEHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cnc(Cl)c(Cl)c2)C12CCOCC2 ZINC000185154718 552355943 /nfs/dbraw/zinc/35/59/43/552355943.db2.gz SKIBFBDNKOZBPN-OLZOCXBDSA-N -1 3 395.308 2.641 10 0 GFAEHM CC(C)C(=O)C[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Br ZINC000194804748 553030330 /nfs/dbraw/zinc/03/03/30/553030330.db2.gz JGMOVPYOXGPNTJ-UHFFFAOYSA-N -1 3 388.205 2.971 10 0 GFAEHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)o1 ZINC000027956948 654567490 /nfs/dbraw/zinc/56/74/90/654567490.db2.gz PDTNSDCIXULHIX-SNVBAGLBSA-N -1 3 377.871 2.684 10 0 GFAEHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CC(=O)C(C)C ZINC000133673143 654970186 /nfs/dbraw/zinc/97/01/86/654970186.db2.gz ORXNIRSDZODGEM-UHFFFAOYSA-N -1 3 384.679 2.615 10 0 GFAEHM CC(C)C[C@H](CN(C)C)NC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000112631563 551206618 /nfs/dbraw/zinc/20/66/18/551206618.db2.gz GAQXOSSIBCROGY-CYBMUJFWSA-N -1 3 394.313 2.997 10 0 GFAEHM COc1ccc(Br)c(S(=O)(=O)[N-][C@@H]2COc3ccccc32)c1 ZINC000175249432 552118839 /nfs/dbraw/zinc/11/88/39/552118839.db2.gz MHSPTNQOCZHJDT-CYBMUJFWSA-N -1 3 384.251 2.870 10 0 GFAEHM CN1CCN(CC2CCN(C(=O)c3ccc(Cl)c(Cl)c3[O-])CC2)CC1 ZINC000175769753 552128500 /nfs/dbraw/zinc/12/85/00/552128500.db2.gz MYXLURBTWVHVRN-UHFFFAOYSA-N -1 3 386.323 2.799 10 0 GFAEHM O=C(N[C@H]1CCCC[C@@H]1CO)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000179255319 552188655 /nfs/dbraw/zinc/18/86/55/552188655.db2.gz OYDHTLIHFZHNQC-MFKMUULPSA-N -1 3 379.254 2.572 10 0 GFAEHM CC[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000185154603 552355878 /nfs/dbraw/zinc/35/58/78/552355878.db2.gz HGLGNUIKFCLBFC-CHWSQXEVSA-N -1 3 386.901 2.594 10 0 GFAEHM O=C([O-])C[N@H+](CC1CC1)C1CC(NCc2cc([O-])ccc2Br)C1 ZINC000263536062 553189274 /nfs/dbraw/zinc/18/92/74/553189274.db2.gz ZFOGWXOSIBFTSO-UHFFFAOYSA-N -1 3 383.286 2.572 10 0 GFAEHM O=C([O-])C[N@@H+](CC1CC1)C1CC(NCc2cc([O-])ccc2Br)C1 ZINC000263536062 553189277 /nfs/dbraw/zinc/18/92/77/553189277.db2.gz ZFOGWXOSIBFTSO-UHFFFAOYSA-N -1 3 383.286 2.572 10 0 GFAEHM Cc1ccc([C@H](C)[N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)o1 ZINC000027956951 654567497 /nfs/dbraw/zinc/56/74/97/654567497.db2.gz PDTNSDCIXULHIX-JTQLQIEISA-N -1 3 377.871 2.684 10 0 GFAEHM N[C@@H](CO)c1c(Br)cc(Br)c([O-])c1Br ZINC000072199968 211083727 /nfs/dbraw/zinc/08/37/27/211083727.db2.gz PLEFWLPVXQTWQI-YFKPBYRVSA-N -1 3 389.869 2.672 10 0 GFAEHM Cc1cc(S(=O)(=O)[N-][C@@H]2CCCn3nc(C)nc32)sc1Br ZINC000177002480 552149476 /nfs/dbraw/zinc/14/94/76/552149476.db2.gz CNDNRCWCOZKHHJ-SECBINFHSA-N -1 3 391.316 2.532 10 0 GFAEHM CCN1CCC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)C1 ZINC000190553543 552500982 /nfs/dbraw/zinc/50/09/82/552500982.db2.gz QJQQKHJYKFCCBU-ZFWWWQNUSA-N -1 3 390.933 2.516 10 0 GFAEHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@H](c2nc(C)cs2)C(F)(F)F)c(C)o1 ZINC000122122705 654729138 /nfs/dbraw/zinc/72/91/38/654729138.db2.gz LPVWKBYWEXVGQW-SNVBAGLBSA-N -1 3 398.384 2.721 10 0 GFAEHM Cc1ccc(-n2cc(C(=O)[O-])c(=O)c3cc(F)c(N4CCNCC4)cc32)c(C)c1 ZINC000005930847 209233096 /nfs/dbraw/zinc/23/30/96/209233096.db2.gz GBUIYURVKFXHFL-UHFFFAOYSA-N -1 3 395.434 2.854 10 0 GFAEHM COc1cccc(-c2cc(=O)[n-]c(N3CCN(c4ccccc4F)CC3)n2)c1 ZINC000057341665 525698561 /nfs/dbraw/zinc/69/85/61/525698561.db2.gz XLQHEVZXOOXOKQ-UHFFFAOYSA-N -1 3 380.423 2.911 10 0 GFAEHM C[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c2)C[C@@H](C)O1 ZINC000027339505 551122684 /nfs/dbraw/zinc/12/26/84/551122684.db2.gz UIJTWPNMQYDPBD-VXGBXAGGSA-N -1 3 388.917 2.666 10 0 GFAEHM Cc1nc(C)c(CCC(=O)N[C@H](C)c2cccc(Br)c2)c(=O)[n-]1 ZINC000121248562 551230501 /nfs/dbraw/zinc/23/05/01/551230501.db2.gz INLBSSFUAPVQBH-SNVBAGLBSA-N -1 3 378.270 2.959 10 0 GFAEHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)c(C)cc2F)C12CCOCC2 ZINC000185147021 552355513 /nfs/dbraw/zinc/35/55/13/552355513.db2.gz JDDXITLHEGNVOB-CVEARBPZSA-N -1 3 375.437 2.526 10 0 GFAEHM Cc1ccc(N2CC[C@@H]([N-]S(=O)(=O)Cc3ccccc3F)C2=O)cc1C ZINC000065229309 210977159 /nfs/dbraw/zinc/97/71/59/210977159.db2.gz ARWLBIVSQYBHGE-GOSISDBHSA-N -1 3 376.453 2.667 10 0 GFAEHM COCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(N2CCN(C)CC2)c1 ZINC000095578875 136182224 /nfs/dbraw/zinc/18/22/24/136182224.db2.gz JDSZMCNXGCKEAG-UHFFFAOYSA-N -1 3 389.521 2.694 10 0 GFAEHM CCc1noc([C@@H](C)N2CCN(Cc3cc([O-])ccc3Br)CC2)n1 ZINC000121406857 551233956 /nfs/dbraw/zinc/23/39/56/551233956.db2.gz OCRQDCZVXOPQFN-GFCCVEGCSA-N -1 3 395.301 2.979 10 0 GFAEHM O=S(=O)([N-][C@H]1CCCn2ncnc21)c1ccc(C(F)(F)F)cc1Cl ZINC000155740017 551506913 /nfs/dbraw/zinc/50/69/13/551506913.db2.gz GBNNTTFVVOEQLU-JTQLQIEISA-N -1 3 380.779 2.764 10 0 GFAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C12CCOCC2 ZINC000185148610 552355438 /nfs/dbraw/zinc/35/54/38/552355438.db2.gz CKVFLYASBIQQEA-VXGBXAGGSA-N -1 3 395.308 2.641 10 0 GFAEHM O=S(=O)([N-][C@@H]1CCCn2ncnc21)c1ccc(Cl)c(Br)c1 ZINC000192223922 552556896 /nfs/dbraw/zinc/55/68/96/552556896.db2.gz QPSRNLDCPASGIA-LLVKDONJSA-N -1 3 391.678 2.507 10 0 GFAEHM O=C(CCn1c(=S)[n-]nc1-c1cccs1)N1CCN2CCCC[C@@H]2C1 ZINC000195320247 553045053 /nfs/dbraw/zinc/04/50/53/553045053.db2.gz LVPIXXPQHWQAKV-CYBMUJFWSA-N -1 3 377.539 2.756 10 0 GFAEHM CN(Cc1ccc(-c2nc([C@H]3CCCO3)cc(=O)[n-]2)cc1)Cc1cnccn1 ZINC000023311354 210441063 /nfs/dbraw/zinc/44/10/63/210441063.db2.gz UQHVCTORUIHBTF-LJQANCHMSA-N -1 3 377.448 2.710 10 0 GFAEHM O=C([O-])CN1CCN(c2cc(-c3cccnc3)nc(-c3ccc(F)cc3)n2)CC1 ZINC000073685718 527611703 /nfs/dbraw/zinc/61/17/03/527611703.db2.gz SUDGKYOGLNVFRH-UHFFFAOYSA-N -1 3 393.422 2.551 10 0 GFAEHM O=C([O-])COc1nc(NC2CCN(Cc3ccccc3)CC2)nc2c1CCCC2 ZINC000073709089 527619477 /nfs/dbraw/zinc/61/94/77/527619477.db2.gz BMMMLJBHIZYIAF-UHFFFAOYSA-N -1 3 396.491 2.895 10 0 GFAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153347342 551451136 /nfs/dbraw/zinc/45/11/36/551451136.db2.gz MCKQHAHTDGXTKW-OAHLLOKOSA-N -1 3 382.482 2.749 10 0 GFAEHM COc1cc(Br)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2O)cc1Cl ZINC000158512524 551552814 /nfs/dbraw/zinc/55/28/14/551552814.db2.gz KZWMZMSQDGFOAL-MNOVXSKESA-N -1 3 398.706 2.693 10 0 GFAEHM COc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)[C@H]2CCCO2)cc1Cl ZINC000176829691 552146709 /nfs/dbraw/zinc/14/67/09/552146709.db2.gz HJXSRFICYJHNMF-GZMMTYOYSA-N -1 3 398.706 2.957 10 0 GFAEHM CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000248864507 553136288 /nfs/dbraw/zinc/13/62/88/553136288.db2.gz HGLGNUIKFCLBFC-STQMWFEESA-N -1 3 386.901 2.594 10 0 GFAEHM C[C@@H](CN(C)Cc1ccccc1)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000309881578 563435143 /nfs/dbraw/zinc/43/51/43/563435143.db2.gz JRVQHGUOGJUZOJ-ZDUSSCGKSA-N -1 3 398.326 2.643 10 0 GFAEHM C[C@@H]1NC(=O)CC[C@H]1NCc1cc(Br)c([O-])c(Br)c1 ZINC000392906771 563527985 /nfs/dbraw/zinc/52/79/85/563527985.db2.gz XHIQFXHYBYWXGR-WRWORJQWSA-N -1 3 392.091 2.674 10 0 GFAEHM O=S(=O)([N-]C[C@H](O)CN1CCCCC1)c1cc2cc(Cl)ccc2s1 ZINC000158980322 551559813 /nfs/dbraw/zinc/55/98/13/551559813.db2.gz FEMDRXASMQJKDL-AWEZNQCLSA-N -1 3 388.942 2.680 10 0 GFAEHM COc1cc(Br)c(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCO2)cc1Cl ZINC000176829679 552146688 /nfs/dbraw/zinc/14/66/88/552146688.db2.gz HJXSRFICYJHNMF-KCJUWKMLSA-N -1 3 398.706 2.957 10 0 GFAEHM CC(C)C[C@H](CN(C)C)NC(=O)c1ccc(I)c([O-])c1 ZINC000230890644 553065937 /nfs/dbraw/zinc/06/59/37/553065937.db2.gz RALPDRYSCOKAOQ-GFCCVEGCSA-N -1 3 390.265 2.703 10 0 GFAEHM CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@@H](C(=O)[O-])C1 ZINC000725240652 570994994 /nfs/dbraw/zinc/99/49/94/570994994.db2.gz UFLXFRDILCRIKR-HNNXBMFYSA-N -1 3 380.444 2.884 10 0 GFAEHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000064845059 654876586 /nfs/dbraw/zinc/87/65/86/654876586.db2.gz UAVGUMOEPRBLHK-AWEZNQCLSA-N -1 3 384.251 2.642 10 0 GFAEHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H]2COc3ccccc32)cc1Cl ZINC000104739180 655085188 /nfs/dbraw/zinc/08/51/88/655085188.db2.gz AHUQIJDIZQNKKK-AWEZNQCLSA-N -1 3 384.816 2.850 10 0 GFAEHM O=S(=O)([N-][C@H]1CCCn2ncnc21)c1cc(Br)ccc1Cl ZINC000176747368 655254912 /nfs/dbraw/zinc/25/49/12/655254912.db2.gz QCDGUDCCYPSVPY-JTQLQIEISA-N -1 3 391.678 2.507 10 0 GFAEHM O=S(=O)([N-][C@H]1CCCn2ncnc21)c1ccc(Br)cc1Cl ZINC000176749288 655254967 /nfs/dbraw/zinc/25/49/67/655254967.db2.gz GXNRDMBYWWWZGM-JTQLQIEISA-N -1 3 391.678 2.507 10 0 GFAEHM COc1cccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccccc2)c1 ZINC000035023199 212243079 /nfs/dbraw/zinc/24/30/79/212243079.db2.gz FBIWEBDTUSGSDW-VKJFTORMSA-N -1 3 394.349 2.799 10 0 GFAEHM C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2Cl)CCN1 ZINC000005930078 212148050 /nfs/dbraw/zinc/14/80/50/212148050.db2.gz VVDWMIBWDRTATF-VIFPVBQESA-N -1 3 379.819 2.625 10 0 GFAEHM Cc1cc(N2CCCCS2(=O)=O)ccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000012208360 221167984 /nfs/dbraw/zinc/16/79/84/221167984.db2.gz SEHKBAJUFNTYPW-UHFFFAOYSA-N -1 3 398.481 2.865 10 0 GFAEHM CCc1c(C)nc(NC2CCN(Cc3ccccc3)CC2)nc1OCC(=O)[O-] ZINC000073709115 523711083 /nfs/dbraw/zinc/71/10/83/523711083.db2.gz ZAPSJYHXGMMZHL-UHFFFAOYSA-N -1 3 384.480 2.887 10 0 GFAEHM C[C@@H](NC(=O)NCc1ccc([O-])c(Br)c1)c1nnc2n1CCCC2 ZINC000153448521 551452917 /nfs/dbraw/zinc/45/29/17/551452917.db2.gz ZAMLLDQHBGTKIL-SNVBAGLBSA-N -1 3 394.273 2.643 10 0 GFAEHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C12CCOCC2 ZINC000185148164 552355120 /nfs/dbraw/zinc/35/51/20/552355120.db2.gz PKWXLTRIPIZGFF-GJZGRUSLSA-N -1 3 377.865 2.732 10 0 GFAEHM CCOCCN1CCN(C(=O)c2cc(Br)ccc2[O-])C[C@@H]1CC ZINC000116977271 655258221 /nfs/dbraw/zinc/25/82/21/655258221.db2.gz WPXDYGJOJDMRNC-AWEZNQCLSA-N -1 3 385.302 2.728 10 0 GFAEHM C[C@@H]1CN(c2ccc3c(=O)c(C(=O)[O-])cn(-c4ccc(F)cc4F)c3c2)CCN1 ZINC000503916033 231281205 /nfs/dbraw/zinc/28/12/05/231281205.db2.gz FZIBXLZWSGLCHY-GFCCVEGCSA-N -1 3 399.397 2.765 10 0 GFAEHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000173963750 552095714 /nfs/dbraw/zinc/09/57/14/552095714.db2.gz IMTANQZXNXKLEY-NSHDSACASA-N -1 3 379.873 2.607 10 0 GFAEHM CCN(CC)C(=O)[C@H]1CCCN1C(=O)NCc1ccc([O-])c(Br)c1 ZINC000126281310 551327705 /nfs/dbraw/zinc/32/77/05/551327705.db2.gz VFTIXJNKJCIBAH-CQSZACIVSA-N -1 3 398.301 2.697 10 0 GFAEHM O=S(=O)([N-][C@H]1CCCn2ncnc21)c1ccc(Br)c(Cl)c1 ZINC000155739542 551506925 /nfs/dbraw/zinc/50/69/25/551506925.db2.gz ONTQVMLTEDFJAT-NSHDSACASA-N -1 3 391.678 2.507 10 0 GFAEHM CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cccc(C)c1Br ZINC000156596781 551525534 /nfs/dbraw/zinc/52/55/34/551525534.db2.gz CMWUYZMOBAEDSE-NSHDSACASA-N -1 3 399.314 2.725 10 0 GFAEHM CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000185154624 552355982 /nfs/dbraw/zinc/35/59/82/552355982.db2.gz HGLGNUIKFCLBFC-QWHCGFSZSA-N -1 3 386.901 2.594 10 0 GFAEHM CO[C@H](C)CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000189270109 552467341 /nfs/dbraw/zinc/46/73/41/552467341.db2.gz NQLJUQAOSCQVQS-GFCCVEGCSA-N -1 3 382.869 2.906 10 0 GFAEHM COc1ccc(N2C(=O)CCC2=O)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000012201173 221166936 /nfs/dbraw/zinc/16/69/36/221166936.db2.gz FASNJJNLNNGSOK-UHFFFAOYSA-N -1 3 394.836 2.803 10 0 GFAEHM Cc1ccc(N2CC[C@H]([N-]S(=O)(=O)Cc3ccccc3F)C2=O)cc1C ZINC000065229308 222112423 /nfs/dbraw/zinc/11/24/23/222112423.db2.gz ARWLBIVSQYBHGE-SFHVURJKSA-N -1 3 376.453 2.667 10 0 GFAEHM CC(C)(C)c1ccn(C2(C(=O)[O-])CCN(Cc3ccc4c(c3)OCO4)CC2)n1 ZINC000077322514 222277401 /nfs/dbraw/zinc/27/74/01/222277401.db2.gz MAPNMFJINGCFHP-UHFFFAOYSA-N -1 3 385.464 2.985 10 0 GFAEHM CCc1cc(N2CCN(CC(=O)[O-])CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000073685687 523795372 /nfs/dbraw/zinc/79/53/72/523795372.db2.gz CXYQQQLPGPCXJX-UHFFFAOYSA-N -1 3 394.397 2.931 10 0 GFAEHM CCN1CCC[C@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)C1 ZINC000040503789 551134845 /nfs/dbraw/zinc/13/48/45/551134845.db2.gz AYRQCIANDVNQEZ-NSHDSACASA-N -1 3 381.723 2.865 10 0 GFAEHM CN(C)[C@H](Cc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151571365 551416385 /nfs/dbraw/zinc/41/63/85/551416385.db2.gz IGHKVSOVVFENSP-MRXNPFEDSA-N -1 3 377.282 2.944 10 0 GFAEHM CC1(C)CCc2ccccc2[C@H]1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000156468843 551523579 /nfs/dbraw/zinc/52/35/79/551523579.db2.gz XCOZTWJHHXTFLE-QGZVFWFLSA-N -1 3 378.519 2.856 10 0 GFAEHM CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000157068926 551532797 /nfs/dbraw/zinc/53/27/97/551532797.db2.gz WXJVYCJGWIYSMD-NSHDSACASA-N -1 3 375.281 2.961 10 0 GFAEHM Cc1cc(S(=O)(=O)[N-][C@H]2CCCn3nc(C)nc32)sc1Br ZINC000177002494 552149447 /nfs/dbraw/zinc/14/94/47/552149447.db2.gz CNDNRCWCOZKHHJ-VIFPVBQESA-N -1 3 391.316 2.532 10 0 GFAEHM C[C@@H](NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1)c1cccs1 ZINC000179034972 552182848 /nfs/dbraw/zinc/18/28/48/552182848.db2.gz ZSQUXDRRGMCARG-SECBINFHSA-N -1 3 393.943 2.802 10 0 GFAEHM O=C(N[C@H]1CCCC[C@H]1CO)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000179255335 552188537 /nfs/dbraw/zinc/18/85/37/552188537.db2.gz OYDHTLIHFZHNQC-GWCFXTLKSA-N -1 3 379.254 2.572 10 0 GFAEHM CCN(CC)[C@@H](C)CNS(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000184913562 552347849 /nfs/dbraw/zinc/34/78/49/552347849.db2.gz JRYFLYABTZCXJJ-VIFPVBQESA-N -1 3 383.297 2.700 10 0 GFAEHM C[C@H]1CN(c2ccc3c(=O)c(C(=O)[O-])cn(-c4ccc(F)cc4F)c3c2)CCN1 ZINC000503916034 533978857 /nfs/dbraw/zinc/97/88/57/533978857.db2.gz FZIBXLZWSGLCHY-LBPRGKRZSA-N -1 3 399.397 2.765 10 0 GFAEHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1nnc2n1CCCC2 ZINC000121763992 551241806 /nfs/dbraw/zinc/24/18/06/551241806.db2.gz UNSMWAQDCJKZQL-VIFPVBQESA-N -1 3 375.281 2.961 10 0 GFAEHM O=S(=O)([N-][C@@H]1CCCn2ncnc21)c1ccc(Br)c(Cl)c1 ZINC000155739436 551506910 /nfs/dbraw/zinc/50/69/10/551506910.db2.gz ONTQVMLTEDFJAT-LLVKDONJSA-N -1 3 391.678 2.507 10 0 GFAEHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)nc2Cl)C12CCOCC2 ZINC000185148629 552355506 /nfs/dbraw/zinc/35/55/06/552355506.db2.gz CKVFLYASBIQQEA-NEPJUHHUSA-N -1 3 395.308 2.641 10 0 GFAEHM O=C([O-])c1cn(C2CC2)c2c(cc(F)c(N3CCNCC3)c2C(F)(F)F)c1=O ZINC000003781379 212146815 /nfs/dbraw/zinc/14/68/15/212146815.db2.gz XJVFMQZLUIUEKO-UHFFFAOYSA-N -1 3 399.344 2.602 10 0 GFAEHM Cc1ccc([C@H](C)NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)o1 ZINC000152973128 551444401 /nfs/dbraw/zinc/44/44/01/551444401.db2.gz PYENZMNGYSJPIB-JTQLQIEISA-N -1 3 391.902 2.642 10 0 GFAEHM CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000248898957 553136434 /nfs/dbraw/zinc/13/64/34/553136434.db2.gz WHAUKHDRVHFAQJ-KGLIPLIRSA-N -1 3 386.901 2.594 10 0 GFAEHM CCOCCN1CCN(C(=O)c2ccc(Br)cc2[O-])C[C@@H]1CC ZINC000116977165 655258259 /nfs/dbraw/zinc/25/82/59/655258259.db2.gz ADNKSMZVUMOCRJ-AWEZNQCLSA-N -1 3 385.302 2.728 10 0 GFAEHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000126300537 551328272 /nfs/dbraw/zinc/32/82/72/551328272.db2.gz VPNNUICCUDJPAS-CXAGYDPISA-N -1 3 383.286 2.991 10 0 GFAEHM CCN1CCC[C@@H](NC(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)C1 ZINC000172001751 551668659 /nfs/dbraw/zinc/66/86/59/551668659.db2.gz WUWQZCFTUBRPFI-GFCCVEGCSA-N -1 3 378.270 2.505 10 0 GFAEHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)c(F)cc2F)C12CCOCC2 ZINC000185146768 552355149 /nfs/dbraw/zinc/35/51/49/552355149.db2.gz GDUIIASIBIVJRN-CVEARBPZSA-N -1 3 375.437 2.526 10 0 GFAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(C)c(F)cc2F)C12CCOCC2 ZINC000185146750 552355153 /nfs/dbraw/zinc/35/51/53/552355153.db2.gz GDUIIASIBIVJRN-HZPDHXFCSA-N -1 3 375.437 2.526 10 0 GFAEHM CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000185153403 552355994 /nfs/dbraw/zinc/35/59/94/552355994.db2.gz WHAUKHDRVHFAQJ-UONOGXRCSA-N -1 3 386.901 2.594 10 0 GFAEHM CN(CC(=O)[O-])C[C@@H]1CN(Cc2cc(C(F)(F)F)ccc2Cl)CCO1 ZINC000263465248 553188103 /nfs/dbraw/zinc/18/81/03/553188103.db2.gz CMQNLPHDMIQQER-CYBMUJFWSA-N -1 3 380.794 2.576 10 0 GFAEHM CCc1ccc([C@H](C)NC(=O)NCC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000119662236 551218327 /nfs/dbraw/zinc/21/83/27/551218327.db2.gz PNZKMGBFNFIKTQ-ZDUSSCGKSA-N -1 3 381.523 2.649 10 0 GFAEHM CCc1noc([C@H](C)N2CCN(Cc3cc([O-])ccc3Br)CC2)n1 ZINC000121407020 551233760 /nfs/dbraw/zinc/23/37/60/551233760.db2.gz OCRQDCZVXOPQFN-LBPRGKRZSA-N -1 3 395.301 2.979 10 0 GFAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)c(F)cc2F)C12CCOCC2 ZINC000185146711 552355492 /nfs/dbraw/zinc/35/54/92/552355492.db2.gz GDUIIASIBIVJRN-JKSUJKDBSA-N -1 3 375.437 2.526 10 0 GFAEHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C1CCC(O)CC1 ZINC000035189062 204035537 /nfs/dbraw/zinc/03/55/37/204035537.db2.gz DOPPWJNGCJLANS-UHFFFAOYSA-N -1 3 398.706 2.693 10 0 GFAEHM O=c1cc(-c2cccnc2)nc(-c2ccc(CN3CCC(CO)CC3)cc2)[n-]1 ZINC000048241158 205115266 /nfs/dbraw/zinc/11/52/66/205115266.db2.gz KSCKGLUZFOETMG-UHFFFAOYSA-N -1 3 376.460 2.703 10 0 GFAEHM CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000157070028 551532653 /nfs/dbraw/zinc/53/26/53/551532653.db2.gz KXZSOJYIVDZHMJ-SNVBAGLBSA-N -1 3 375.281 2.961 10 0 GFAEHM Cc1csc([C@@H]2CCCN(C(=O)CC[N-]S(=O)(=O)c3cccs3)C2)n1 ZINC000173069568 551694302 /nfs/dbraw/zinc/69/43/02/551694302.db2.gz IPYLNGMHKDVGRD-CYBMUJFWSA-N -1 3 399.563 2.588 10 0 GFAEHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2ccccc2F)N2CCOCC2)s1 ZINC000175217439 552117707 /nfs/dbraw/zinc/11/77/07/552117707.db2.gz SVXYQRRGEIFONY-OAHLLOKOSA-N -1 3 384.498 2.547 10 0 GFAEHM CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000185154424 552355712 /nfs/dbraw/zinc/35/57/12/552355712.db2.gz YEMOEFPTOOJNCT-UONOGXRCSA-N -1 3 386.901 2.594 10 0 GFAEHM CC(C)C[C@H](CN(C)C)[N-]S(=O)(=O)c1cc(F)ccc1Br ZINC000188221933 552439783 /nfs/dbraw/zinc/43/97/83/552439783.db2.gz HMBWVVCSTXPUDY-GFCCVEGCSA-N -1 3 381.311 2.843 10 0 GFAEHM C[C@H]1CN([C@H](C[N-]S(=O)(=O)c2ccccc2F)c2cccs2)CCO1 ZINC000248332638 553128377 /nfs/dbraw/zinc/12/83/77/553128377.db2.gz FKCQRLRIRVMEDU-DZGCQCFKSA-N -1 3 384.498 2.628 10 0 GFAEHM C[C@@H]1CN([C@H](C[N-]S(=O)(=O)c2ccccc2F)c2cccs2)CCO1 ZINC000248332639 553128387 /nfs/dbraw/zinc/12/83/87/553128387.db2.gz FKCQRLRIRVMEDU-UKRRQHHQSA-N -1 3 384.498 2.628 10 0 GFAEHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCn3ccnc3C2)sc1Br ZINC000328625912 563461579 /nfs/dbraw/zinc/46/15/79/563461579.db2.gz LCZDHKDELMZCPT-JTQLQIEISA-N -1 3 390.328 2.556 10 0 GFAEHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000107514332 655121728 /nfs/dbraw/zinc/12/17/28/655121728.db2.gz UAVGUMOEPRBLHK-CQSZACIVSA-N -1 3 384.251 2.642 10 0 GFAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000153372530 551451061 /nfs/dbraw/zinc/45/10/61/551451061.db2.gz MMHGRUKDERLUNQ-ABAIWWIYSA-N -1 3 382.482 2.748 10 0 GFAEHM CCc1nc2n(n1)C[C@@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)CC2 ZINC000189616019 552475934 /nfs/dbraw/zinc/47/59/34/552475934.db2.gz DAPDSHFGKCBRDX-VIFPVBQESA-N -1 3 376.873 2.690 10 0 GFAEHM Cc1cnn(CC[N-]S(=O)(=O)c2c(Cl)cccc2Br)c1 ZINC000282984609 563431707 /nfs/dbraw/zinc/43/17/07/563431707.db2.gz MJBMDRGFTGUMJF-UHFFFAOYSA-N -1 3 378.679 2.586 10 0 GFAEHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCn3ccnc3C2)cc1Cl ZINC000328626918 563461596 /nfs/dbraw/zinc/46/15/96/563461596.db2.gz MELYMSMRYDTHHJ-JTQLQIEISA-N -1 3 390.292 2.739 10 0 GFAEHM O=S(=O)([N-][C@@H]1CCC[C@@H]1n1ccnc1)c1ccc(Br)s1 ZINC000042435234 654639909 /nfs/dbraw/zinc/63/99/09/654639909.db2.gz TZWCXCFWSWWNNK-ZJUUUORDSA-N -1 3 376.301 2.779 10 0 GFAEHM CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC000006873961 204217946 /nfs/dbraw/zinc/21/79/46/204217946.db2.gz KUZANVNDSKSIEX-ZDUSSCGKSA-N -1 3 394.880 2.971 10 0 GFAEHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000126300874 551327990 /nfs/dbraw/zinc/32/79/90/551327990.db2.gz VPNNUICCUDJPAS-SUMWQHHRSA-N -1 3 383.286 2.991 10 0 GFAEHM CCN(CC)[C@@H](C)C[N-]S(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000173025539 551692604 /nfs/dbraw/zinc/69/26/04/551692604.db2.gz NONUGWDVQBRMJQ-VIFPVBQESA-N -1 3 397.875 2.585 10 0 GFAEHM CCc1nc2n(n1)C[C@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)CC2 ZINC000189615996 552475738 /nfs/dbraw/zinc/47/57/38/552475738.db2.gz DAPDSHFGKCBRDX-SECBINFHSA-N -1 3 376.873 2.690 10 0 GFAEHM O=C(Cn1c(=S)[n-]nc1-c1ccc(Cl)cc1)N1CCN2CCC[C@H]2C1 ZINC000195320738 553044764 /nfs/dbraw/zinc/04/47/64/553044764.db2.gz UJJTYNWKEZCUSC-AWEZNQCLSA-N -1 3 377.901 2.568 10 0 GFAEHM CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(C)c(Cl)c(C(=O)[O-])c1 ZINC000248864499 553136035 /nfs/dbraw/zinc/13/60/35/553136035.db2.gz HGLGNUIKFCLBFC-OLZOCXBDSA-N -1 3 386.901 2.594 10 0 GFAEHM CCOC(=O)COc1c(Br)cc(C)cc1CN(C)[C@@H](C)C(=O)[O-] ZINC000263418159 553187497 /nfs/dbraw/zinc/18/74/97/553187497.db2.gz NZETZCIWFJRCHK-NSHDSACASA-N -1 3 388.258 2.604 10 0 GFAEHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1O ZINC000091315582 655008538 /nfs/dbraw/zinc/00/85/38/655008538.db2.gz PXHVUNOQZIPYCE-LDYMZIIASA-N -1 3 398.706 2.550 10 0 GFAEHM O=C1[C@H]([N-]S(=O)(=O)Cc2ccc(Cl)cc2)CCN1c1ccc(F)cc1 ZINC000065229263 205221359 /nfs/dbraw/zinc/22/13/59/205221359.db2.gz VNSIGQVTAHUJQH-MRXNPFEDSA-N -1 3 382.844 2.704 10 0 GFAEHM CN(C)c1ccnc(C[N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)n1 ZINC000224195524 206015981 /nfs/dbraw/zinc/01/59/81/206015981.db2.gz WPYSUJUPCQRLCE-UHFFFAOYSA-N -1 3 384.461 2.813 10 0 GFAEHM CC(=O)Nc1cc(F)c(S(=O)(=O)[N-][C@H](CC(C)C)CN(C)C)cc1Cl ZINC000188222244 552439463 /nfs/dbraw/zinc/43/94/63/552439463.db2.gz LSSQPDWTYULMMX-GFCCVEGCSA-N -1 3 393.912 2.692 10 0 GFAEHM C[C@@H](COCc1ccccc1)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000390820300 563523726 /nfs/dbraw/zinc/52/37/26/563523726.db2.gz VVGXOUTXCBIANV-LBPRGKRZSA-N -1 3 385.283 2.728 10 0 GFAEHM CC(C)c1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000157150620 570801962 /nfs/dbraw/zinc/80/19/62/570801962.db2.gz PSLSXLXBMPVQDX-NSHDSACASA-N -1 3 394.888 2.516 10 0 GFAEHM O=S(=O)([N-][C@@H]1CCCn2ncnc21)c1cc(Br)ccc1Cl ZINC000176747355 655254731 /nfs/dbraw/zinc/25/47/31/655254731.db2.gz QCDGUDCCYPSVPY-SNVBAGLBSA-N -1 3 391.678 2.507 10 0 GFAEHM CCOCCN1CCN(C(=O)c2cc(Br)ccc2[O-])C[C@H]1CC ZINC000116977269 655258145 /nfs/dbraw/zinc/25/81/45/655258145.db2.gz WPXDYGJOJDMRNC-CQSZACIVSA-N -1 3 385.302 2.728 10 0 GFAEHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc2c(c1)CCN2C(=O)CC(C)C ZINC000064977096 205203986 /nfs/dbraw/zinc/20/39/86/205203986.db2.gz FMGYGRSTRQKOIE-UHFFFAOYSA-N -1 3 391.493 2.705 10 0 GFAEHM O=C([O-])CN1CCN(c2cc(-c3ccccn3)nc(-c3ccc(F)cc3)n2)CC1 ZINC000073685721 527611421 /nfs/dbraw/zinc/61/14/21/527611421.db2.gz ZXCZNQDYIDXEHW-UHFFFAOYSA-N -1 3 393.422 2.551 10 0 GFAEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)Cc1ccccc1Cl ZINC000068323313 551191378 /nfs/dbraw/zinc/19/13/78/551191378.db2.gz RYBBTEDJTVDICN-GFCCVEGCSA-N -1 3 384.860 2.805 10 0 GFAEHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@@H]3CCCn4ncnc43)s2)cs1 ZINC000121361249 551232962 /nfs/dbraw/zinc/23/29/62/551232962.db2.gz UJDJQBHIDOPICI-SNVBAGLBSA-N -1 3 381.508 2.585 10 0 GFAEHM CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(C)ccc1Br ZINC000128194048 551346941 /nfs/dbraw/zinc/34/69/41/551346941.db2.gz UWMIJTGTWNVHPQ-GFCCVEGCSA-N -1 3 399.314 2.725 10 0 GFAEHM CN(C)[C@@H](Cc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000151571292 551416486 /nfs/dbraw/zinc/41/64/86/551416486.db2.gz IGHKVSOVVFENSP-INIZCTEOSA-N -1 3 377.282 2.944 10 0 GFAEHM C[C@H](NC(=O)Nc1ccccc1)C(=O)NCc1ccc([O-])c(Br)c1 ZINC000156551972 551524711 /nfs/dbraw/zinc/52/47/11/551524711.db2.gz WKWFESKOYOHZHV-NSHDSACASA-N -1 3 392.253 2.981 10 0 GFAEHM O=C1CCCC(=O)N1c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1 ZINC000012202689 204383100 /nfs/dbraw/zinc/38/31/00/204383100.db2.gz MQJBBPKHEWWQAV-UHFFFAOYSA-N -1 3 380.372 2.809 10 0 GFAEHM Cc1ccc(-c2nc(-c3ccccn3)cc(N3CCN(CC(=O)[O-])CC3)n2)cc1 ZINC000073685445 525798274 /nfs/dbraw/zinc/79/82/74/525798274.db2.gz ZNDSLBTVQWJWBO-UHFFFAOYSA-N -1 3 389.459 2.721 10 0 GFAEHM Cc1nc(CN2CCCN(Cc3cc([O-])ccc3Br)CC2)no1 ZINC000179212923 552187413 /nfs/dbraw/zinc/18/74/13/552187413.db2.gz OTCGCOARYZKDQY-UHFFFAOYSA-N -1 3 381.274 2.554 10 0 GFAEHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2F)C12CCOCC2 ZINC000185148203 552355144 /nfs/dbraw/zinc/35/51/44/552355144.db2.gz PKWXLTRIPIZGFF-CABCVRRESA-N -1 3 377.865 2.732 10 0 GFAEHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C)c(F)cc2F)C12CCOCC2 ZINC000185146729 552355158 /nfs/dbraw/zinc/35/51/58/552355158.db2.gz GDUIIASIBIVJRN-HOTGVXAUSA-N -1 3 375.437 2.526 10 0 GFAEHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCc2ccccc2C1 ZINC000003959070 204022156 /nfs/dbraw/zinc/02/21/56/204022156.db2.gz HFRBMVLRESIWRX-KRWDZBQOSA-N -1 3 378.519 2.636 10 0 GFAEHM O=S(=O)([N-]Cc1ccnc(N2CCCC2)n1)c1ccc(Cl)c(Cl)c1 ZINC000224202925 206016077 /nfs/dbraw/zinc/01/60/77/206016077.db2.gz LTCKOCVNTRVORU-UHFFFAOYSA-N -1 3 387.292 2.862 10 0 GFAEHM O=C(NCC[N-]S(=O)(=O)c1cccs1)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000120331027 551219398 /nfs/dbraw/zinc/21/93/98/551219398.db2.gz UAEIDGSWSGAYMY-CQSZACIVSA-N -1 3 399.925 2.667 10 0 GFAEHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1nccc2sccc21 ZINC000159007847 551559863 /nfs/dbraw/zinc/55/98/63/551559863.db2.gz YAFPOTFZHKFFME-JTQLQIEISA-N -1 3 379.438 2.741 10 0 GFAEHM Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)nc(N(C)C)n1 ZINC000188284739 552441446 /nfs/dbraw/zinc/44/14/46/552441446.db2.gz BKQGIKQSFKGLLF-UHFFFAOYSA-N -1 3 375.281 2.636 10 0 GFAEHM C[C@H]1NC(=O)CC[C@H]1NCc1cc(Br)c([O-])c(Br)c1 ZINC000392906770 563528066 /nfs/dbraw/zinc/52/80/66/563528066.db2.gz XHIQFXHYBYWXGR-RDDDGLTNSA-N -1 3 392.091 2.674 10 0 GFAEHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N1CCc2ccccc2C1 ZINC000003959071 204022742 /nfs/dbraw/zinc/02/27/42/204022742.db2.gz HFRBMVLRESIWRX-QGZVFWFLSA-N -1 3 378.519 2.636 10 0 GFAEHM Cc1nn(C)c(C)c1CN1CCN(Cc2cc([O-])ccc2Br)CC1 ZINC000121460401 551234949 /nfs/dbraw/zinc/23/49/49/551234949.db2.gz BPBNQMAUVQBBDY-UHFFFAOYSA-N -1 3 393.329 2.823 10 0 GFAEHM Cc1cc(S(=O)(=O)[N-][C@H]2CCc3nnc(C(C)C)n3C2)c(Cl)cc1F ZINC000181727172 552266260 /nfs/dbraw/zinc/26/62/60/552266260.db2.gz LQUQIUHMKPGDBY-NSHDSACASA-N -1 3 386.880 2.796 10 0 GFAEHM O=C([O-])CN1CCN(c2cc(-c3ccccn3)nc(-c3ccccc3F)n2)CC1 ZINC000073685512 527611666 /nfs/dbraw/zinc/61/16/66/527611666.db2.gz JQVRNXBJVQGKKU-UHFFFAOYSA-N -1 3 393.422 2.551 10 0 GFAEHM O=C(NCc1ccc([O-])c(Br)c1)N1CCC(Cn2cccn2)CC1 ZINC000126317613 551328611 /nfs/dbraw/zinc/32/86/11/551328611.db2.gz WCOANGOBCAEHFB-UHFFFAOYSA-N -1 3 393.285 2.973 10 0 GFAEHM Cc1ccc([C@@H](C)NC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)o1 ZINC000152973019 551444180 /nfs/dbraw/zinc/44/41/80/551444180.db2.gz PYENZMNGYSJPIB-SNVBAGLBSA-N -1 3 391.902 2.642 10 0 GFAEHM C[C@H]1CN(C(=O)CC[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCS1 ZINC000171582443 551658554 /nfs/dbraw/zinc/65/85/54/551658554.db2.gz HRCYSRHQWNWPNT-JTQLQIEISA-N -1 3 397.349 2.626 10 0 GFAEHM O=S(=O)([N-]C[C@H]1CCCC[C@H]1O)c1c(Cl)cccc1Br ZINC000312927915 563437825 /nfs/dbraw/zinc/43/78/25/563437825.db2.gz XNEDZXANNYHSEG-BXKDBHETSA-N -1 3 382.707 2.932 10 0 GFAEHM CC(=O)c1ccc(C(=O)NCCCc2c(-c3ccccc3)nc(N)[n-]c2=O)cc1 ZINC000017039724 206297032 /nfs/dbraw/zinc/29/70/32/206297032.db2.gz PKHXCKSDNIAVIV-UHFFFAOYSA-N -1 3 390.443 2.584 10 0 GFAEHM O=C([O-])CCSc1nc2ccccc2c(=O)n1CCCN1CCCCC1 ZINC000073660197 527594411 /nfs/dbraw/zinc/59/44/11/527594411.db2.gz OPYCYHCDYUUFCZ-UHFFFAOYSA-N -1 3 375.494 2.839 10 0 GFAEHM O=C(NCc1ccc([O-])c(Br)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000126300672 551328017 /nfs/dbraw/zinc/32/80/17/551328017.db2.gz VPNNUICCUDJPAS-DYVFJYSZSA-N -1 3 383.286 2.991 10 0 GFAEHM CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000152232657 551429014 /nfs/dbraw/zinc/42/90/14/551429014.db2.gz ZLAULFQOXYSGJN-GFCCVEGCSA-N -1 3 394.273 2.643 10 0 GFAEHM CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000157069073 551532563 /nfs/dbraw/zinc/53/25/63/551532563.db2.gz WXJVYCJGWIYSMD-LLVKDONJSA-N -1 3 375.281 2.961 10 0 GFAEHM Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(S(C)(=O)=O)cc2)c(F)cc1F ZINC000175781011 552129097 /nfs/dbraw/zinc/12/90/97/552129097.db2.gz KLXQFGWAPMIVAC-LLVKDONJSA-N -1 3 389.445 2.716 10 0 GFAEHM CO[C@@H](C)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000189273134 552467601 /nfs/dbraw/zinc/46/76/01/552467601.db2.gz NQLACPNWXGAHJG-LBPRGKRZSA-N -1 3 382.869 2.906 10 0 GFAEHM O=C(CCn1c(=S)[n-]nc1-c1cccs1)N1CCN2CCCC[C@H]2C1 ZINC000195320258 553044803 /nfs/dbraw/zinc/04/48/03/553044803.db2.gz LVPIXXPQHWQAKV-ZDUSSCGKSA-N -1 3 377.539 2.756 10 0 GFAEHM O=S(=O)([N-]C[C@@H]1CCCC[C@@H]1O)c1ccc(Cl)c(Br)c1 ZINC000236553534 553069384 /nfs/dbraw/zinc/06/93/84/553069384.db2.gz NFDSZKUAXWXWPP-ZANVPECISA-N -1 3 382.707 2.932 10 0 GFAEHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(S(C)(=O)=O)cc1 ZINC000015358999 551111182 /nfs/dbraw/zinc/11/11/82/551111182.db2.gz WJCBXDYAPTWREL-VIFPVBQESA-N -1 3 393.408 2.547 10 0 GFAEHM C[C@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c2)C[C@H](C)O1 ZINC000027339509 551122436 /nfs/dbraw/zinc/12/24/36/551122436.db2.gz UIJTWPNMQYDPBD-RYUDHWBXSA-N -1 3 388.917 2.666 10 0 GFAEHM CC(C)N1C[C@H](C)[C@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000246165254 553104183 /nfs/dbraw/zinc/10/41/83/553104183.db2.gz MEXISAVLXHBZNW-GXFFZTMASA-N -1 3 379.295 2.595 10 0 GFAEHM COC(=O)c1scc(C)c1S(=O)(=O)[N-][C@H](C)COCc1ccccc1 ZINC000390409960 563522488 /nfs/dbraw/zinc/52/24/88/563522488.db2.gz DLDQCKUXSADKGN-CYBMUJFWSA-N -1 3 383.491 2.727 10 0 GFAEHM COCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000129490653 654864176 /nfs/dbraw/zinc/86/41/76/654864176.db2.gz YGFIHBNOOXCHMY-LLVKDONJSA-N -1 3 391.280 2.545 10 0 GFAEHM O=C([O-])CN1CCN(c2cc(-c3ccncc3)nc(-c3ccc(F)cc3)n2)CC1 ZINC000073685715 527610672 /nfs/dbraw/zinc/61/06/72/527610672.db2.gz PKXWKQHBGGOZLK-UHFFFAOYSA-N -1 3 393.422 2.551 10 0 GFAEHM Cc1nc(-c2ccc(S(=O)(=O)[N-][C@H]3CCCn4ncnc43)s2)cs1 ZINC000121361420 551232757 /nfs/dbraw/zinc/23/27/57/551232757.db2.gz UJDJQBHIDOPICI-JTQLQIEISA-N -1 3 381.508 2.585 10 0 GFAEHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1ccc(S(C)(=O)=O)cc1 ZINC000131038230 551371303 /nfs/dbraw/zinc/37/13/03/551371303.db2.gz WFFPXAPONOCOOQ-SNVBAGLBSA-N -1 3 391.873 2.922 10 0 GFAEHM C[C@@H]1CN([C@@H](C[N-]S(=O)(=O)c2ccccc2F)c2cccs2)CCO1 ZINC000175223195 552118394 /nfs/dbraw/zinc/11/83/94/552118394.db2.gz FKCQRLRIRVMEDU-HIFRSBDPSA-N -1 3 384.498 2.628 10 0 GFAEHM COc1cc(Br)c(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCCO2)cc1Cl ZINC000176829662 552146835 /nfs/dbraw/zinc/14/68/35/552146835.db2.gz HJXSRFICYJHNMF-KWQFWETISA-N -1 3 398.706 2.957 10 0 GFAEHM Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000178123616 552164628 /nfs/dbraw/zinc/16/46/28/552164628.db2.gz LJXQKIBSFPJUQC-NSHDSACASA-N -1 3 389.445 2.716 10 0 GFAEHM CCO[C@@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)c(C)cc2F)C12CCOCC2 ZINC000185146964 552355092 /nfs/dbraw/zinc/35/50/92/552355092.db2.gz JDDXITLHEGNVOB-JKSUJKDBSA-N -1 3 375.437 2.526 10 0 GFAEHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C12CCOCC2 ZINC000185156755 552355596 /nfs/dbraw/zinc/35/55/96/552355596.db2.gz PHBFCLDXNKUMDW-GJZGRUSLSA-N -1 3 377.865 2.732 10 0 GFAEHM Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1ccc(Cl)c(F)c1Cl ZINC000188089464 552434652 /nfs/dbraw/zinc/43/46/52/552434652.db2.gz WVRBCYGILLKYLE-VIFPVBQESA-N -1 3 379.244 2.846 10 0 GFAEHM CN(CC(=O)[O-])C[C@H]1CN(Cc2ccc(Cl)c(C(F)(F)F)c2)CCO1 ZINC000263469389 553187962 /nfs/dbraw/zinc/18/79/62/553187962.db2.gz DHVSXQCNIIFFIQ-LBPRGKRZSA-N -1 3 380.794 2.576 10 0 GFAEHM O=S(=O)([N-]C[C@H]1CCn2ccnc2C1)c1cc(C(F)(F)F)ccc1F ZINC000328627560 563461518 /nfs/dbraw/zinc/46/15/18/563461518.db2.gz MXBDEHWDEVIZNO-JTQLQIEISA-N -1 3 377.363 2.582 10 0 GFAEHM CN(Cc1ccccn1)Cc1ccccc1-c1nc([C@H]2CCOC2)cc(=O)[n-]1 ZINC000032573234 207397961 /nfs/dbraw/zinc/39/79/61/207397961.db2.gz HTMCPHVVFLSBSS-KRWDZBQOSA-N -1 3 376.460 2.968 10 0 GFAEHM O=C([O-])CN1CCN(c2cc(-c3cccnc3)nc(-c3cccc(F)c3)n2)CC1 ZINC000073685474 527611885 /nfs/dbraw/zinc/61/18/85/527611885.db2.gz AVMJINBJABEMKJ-UHFFFAOYSA-N -1 3 393.422 2.551 10 0 GFAEHM CCc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(C)ccc1Br ZINC000128193792 551347157 /nfs/dbraw/zinc/34/71/57/551347157.db2.gz UWMIJTGTWNVHPQ-LBPRGKRZSA-N -1 3 399.314 2.725 10 0 GFAEHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCn3ccnc3C2)sc1Br ZINC000328625913 563461783 /nfs/dbraw/zinc/46/17/83/563461783.db2.gz LCZDHKDELMZCPT-SNVBAGLBSA-N -1 3 390.328 2.556 10 0 GFAEHM Cc1c2cc(CNC(=O)c3cc(=O)[n-]c(=O)[nH]3)ccc2[nH]c1-c1ccc(F)cc1 ZINC000071749000 570563605 /nfs/dbraw/zinc/56/36/05/570563605.db2.gz JZSISCAINXPWLG-UHFFFAOYSA-N -1 3 392.390 2.589 10 0 GFAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)ccc1F ZINC000177402352 655275465 /nfs/dbraw/zinc/27/54/65/655275465.db2.gz OFIXEDDXQCOYBL-GHMZBOCLSA-N -1 3 382.379 2.585 10 0 GFAEHM CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1ccc([O-])c(Br)c1 ZINC000152232532 551428915 /nfs/dbraw/zinc/42/89/15/551428915.db2.gz ZLAULFQOXYSGJN-LBPRGKRZSA-N -1 3 394.273 2.643 10 0 GFAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000153372412 551451014 /nfs/dbraw/zinc/45/10/14/551451014.db2.gz MMHGRUKDERLUNQ-NHYWBVRUSA-N -1 3 382.482 2.748 10 0 GFAEHM CC1(C)CCc2ccccc2[C@@H]1NC(=O)C[N-]S(=O)(=O)c1cccs1 ZINC000156468712 551523432 /nfs/dbraw/zinc/52/34/32/551523432.db2.gz XCOZTWJHHXTFLE-KRWDZBQOSA-N -1 3 378.519 2.856 10 0 GFAEHM CCc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1cccc(C)c1Br ZINC000156596906 551525724 /nfs/dbraw/zinc/52/57/24/551525724.db2.gz CMWUYZMOBAEDSE-LLVKDONJSA-N -1 3 399.314 2.725 10 0 GFAEHM CC(C)C[C@H](CN(C)C)[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000161993446 551602017 /nfs/dbraw/zinc/60/20/17/551602017.db2.gz OAENXCDSWHGJAS-GFCCVEGCSA-N -1 3 381.311 2.843 10 0 GFAEHM Cc1ccc2c(c1)[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)[C@@H](C)C2 ZINC000181228208 552250915 /nfs/dbraw/zinc/25/09/15/552250915.db2.gz KVAQCAAKOCXCLR-UGSOOPFHSA-N -1 3 378.519 2.775 10 0 GFAEHM Cc1cnn(CC[N-]S(=O)(=O)c2ccc(Cl)c(Br)c2)c1 ZINC000192209338 552556306 /nfs/dbraw/zinc/55/63/06/552556306.db2.gz ZFPFUDUNJLTRNW-UHFFFAOYSA-N -1 3 378.679 2.586 10 0 GFAEHM O=S(=O)([N-]Cc1nccc(N2CCCC2)n1)c1ccc(Cl)c(Cl)c1 ZINC000224155173 553057713 /nfs/dbraw/zinc/05/77/13/553057713.db2.gz FDMNQAUNKOPCIX-UHFFFAOYSA-N -1 3 387.292 2.862 10 0 GFAEHM O=S(=O)([N-][C@@H]1CCCC[C@@H]1CO)c1ccc(Cl)c(Br)c1 ZINC000236505529 553069068 /nfs/dbraw/zinc/06/90/68/553069068.db2.gz XTQHCDAOCAEPND-NOZJJQNGSA-N -1 3 382.707 2.932 10 0 GFAEHM Cn1nccc1C1CCN(C(=O)NCc2ccc([O-])c(Br)c2)CC1 ZINC000126222403 654810646 /nfs/dbraw/zinc/81/06/46/654810646.db2.gz SDEOKVHPODQFOK-UHFFFAOYSA-N -1 3 393.285 2.977 10 0 GFAEHM CC(C)C(=O)C[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000096869829 655032290 /nfs/dbraw/zinc/03/22/90/655032290.db2.gz PTNUWBGOGFTSFC-UHFFFAOYSA-N -1 3 399.104 2.715 10 0 GFAEHM Cc1cc(F)ccc1-n1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCNCC3)cc21 ZINC000005930755 206292790 /nfs/dbraw/zinc/29/27/90/206292790.db2.gz NFNPWHFEELPBON-UHFFFAOYSA-N -1 3 399.397 2.685 10 0 GFAEHM Cc1ccc([C@H](C)NC(=O)NCC[N-]S(=O)(=O)c2cccs2)cc1F ZINC000122401523 551297746 /nfs/dbraw/zinc/29/77/46/551297746.db2.gz GRUXAHNDCJBAFJ-LBPRGKRZSA-N -1 3 385.486 2.534 10 0 GFAEHM COc1cc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCn3nc(C)nc32)cc1Cl ZINC000177003310 552149368 /nfs/dbraw/zinc/14/93/68/552149368.db2.gz GCEKBTSJLVJRIN-LLVKDONJSA-N -1 3 391.280 2.715 10 0 GFAEHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@H]1CCCc2ccccc21 ZINC000133879353 654976220 /nfs/dbraw/zinc/97/62/20/654976220.db2.gz TUPIRDNJBORFBE-ZDUSSCGKSA-N -1 3 384.910 2.874 10 0 GFAEHM COc1ccsc1S(=O)(=O)[N-]C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328619964 206233649 /nfs/dbraw/zinc/23/36/49/206233649.db2.gz GOPGAWKOZHMQAP-SECBINFHSA-N -1 3 395.428 2.513 10 0 GFAEHM Cc1cc(=O)[n-]c(-c2cccc(CN3CCC(O)(c4cccnc4)CC3)c2)n1 ZINC000019720930 207155046 /nfs/dbraw/zinc/15/50/46/207155046.db2.gz NCPHVNQVRPGZGS-UHFFFAOYSA-N -1 3 376.460 2.624 10 0 GFAEHM CC(C)CC(=O)N[C@H](C(=O)NCc1ccc([O-])c(Br)c1)C(C)C ZINC000151622158 551418053 /nfs/dbraw/zinc/41/80/53/551418053.db2.gz RPSGMFLIRXJEIS-INIZCTEOSA-N -1 3 385.302 2.958 10 0 GFAEHM C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153372284 551451239 /nfs/dbraw/zinc/45/12/39/551451239.db2.gz MMHGRUKDERLUNQ-IAQYHMDHSA-N -1 3 382.482 2.748 10 0 GFAEHM Cc1cnn(CC[N-]S(=O)(=O)c2ccc(Br)c(Cl)c2)c1 ZINC000154020619 551465504 /nfs/dbraw/zinc/46/55/04/551465504.db2.gz WIGYWYBJYDRGEE-UHFFFAOYSA-N -1 3 378.679 2.586 10 0 GFAEHM CCO[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(F)c(C)cc2F)C12CCOCC2 ZINC000185146981 552355101 /nfs/dbraw/zinc/35/51/01/552355101.db2.gz JDDXITLHEGNVOB-HOTGVXAUSA-N -1 3 375.437 2.526 10 0 GFAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000193271362 552988294 /nfs/dbraw/zinc/98/82/94/552988294.db2.gz UNMZUUUEUBOGCO-NXEZZACHSA-N -1 3 399.460 2.577 10 0 GFAEHM C[N-]S(=O)(=O)c1ccc(CNC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000193271374 552988392 /nfs/dbraw/zinc/98/83/92/552988392.db2.gz UNMZUUUEUBOGCO-ZJUUUORDSA-N -1 3 399.460 2.577 10 0 GFAEHM CC[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000248905411 553137136 /nfs/dbraw/zinc/13/71/36/553137136.db2.gz YEMOEFPTOOJNCT-KGLIPLIRSA-N -1 3 386.901 2.594 10 0 GFAEHM Cn1cc([C@H]2CCN(C(=O)NCc3ccc([O-])c(Br)c3)C2)cn1 ZINC000126226539 654810852 /nfs/dbraw/zinc/81/08/52/654810852.db2.gz DAEMGGWMHZPDJI-LBPRGKRZSA-N -1 3 379.258 2.587 10 0 GFAEHM COC1CC([N-]S(=O)(=O)c2cc(Br)ccc2Br)C1 ZINC000230724538 655423583 /nfs/dbraw/zinc/42/35/83/655423583.db2.gz GLUZAYSNUXHKHQ-UHFFFAOYSA-N -1 3 399.104 2.667 10 0 GFAEHM O=C(NCCCN1CCOCC1)c1cc2cc(Br)ccc2cc1[O-] ZINC000031308730 209245105 /nfs/dbraw/zinc/24/51/05/209245105.db2.gz PVZXJTNWDZNFJH-UHFFFAOYSA-N -1 3 393.281 2.760 10 0 GFAEHM COc1ccc(OC)c(CN2CCc3nc(N4CCC(C)CC4)[n-]c(=O)c3C2)c1 ZINC000020889516 210366514 /nfs/dbraw/zinc/36/65/14/210366514.db2.gz GKIHAPQCCCSWII-UHFFFAOYSA-N -1 3 398.507 2.994 10 0 GFAEHM CCCc1cc(OCC(=O)[O-])nc(NC2CCN(Cc3ccccc3)CC2)n1 ZINC000073709073 521384643 /nfs/dbraw/zinc/38/46/43/521384643.db2.gz KBNKOTGVXJHWHG-UHFFFAOYSA-N -1 3 384.480 2.969 10 0 GFAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)c(C)cc2F)C12CCOCC2 ZINC000185147004 552355511 /nfs/dbraw/zinc/35/55/11/552355511.db2.gz JDDXITLHEGNVOB-HZPDHXFCSA-N -1 3 375.437 2.526 10 0 GFAEHM Cc1ccc(-c2nc(-c3ccncc3)cc(N3CCN(CC(=O)[O-])CC3)n2)cc1 ZINC000073685440 525798252 /nfs/dbraw/zinc/79/82/52/525798252.db2.gz HJXHEQPTKOCPEO-UHFFFAOYSA-N -1 3 389.459 2.721 10 0 GFAEHM CCN1CCC[C@H]1CN(C)C(=O)c1ccc(I)c([O-])c1 ZINC000230900352 553065595 /nfs/dbraw/zinc/06/55/95/553065595.db2.gz MWGYQCRPMJBSDA-LBPRGKRZSA-N -1 3 388.249 2.553 10 0 GFAEHM CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000248905406 553137355 /nfs/dbraw/zinc/13/73/55/553137355.db2.gz YEMOEFPTOOJNCT-KBPBESRZSA-N -1 3 386.901 2.594 10 0 GFAEHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCC[C@H]1O ZINC000052004163 654732072 /nfs/dbraw/zinc/73/20/72/654732072.db2.gz MOSIPEFHIZJPCU-WDEREUQCSA-N -1 3 398.706 2.693 10 0 GFAEHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1O ZINC000091315572 655008530 /nfs/dbraw/zinc/00/85/30/655008530.db2.gz PXHVUNOQZIPYCE-KWQFWETISA-N -1 3 398.706 2.550 10 0 GFAEHM O=S(=O)([N-][C@@H]1CCCn2ncnc21)c1ccc(Cl)cc1C(F)(F)F ZINC000176745551 655254701 /nfs/dbraw/zinc/25/47/01/655254701.db2.gz ZSDPBIMBRWNZDV-SNVBAGLBSA-N -1 3 380.779 2.764 10 0 GFAEHM CN(C)CCN1CCN([C@@H](C(=O)[O-])c2ccc(Oc3ccccc3)cc2)CC1 ZINC000095384632 211234410 /nfs/dbraw/zinc/23/44/10/211234410.db2.gz SRKCPFKUDHJYQN-OAQYLSRUSA-N -1 3 383.492 2.784 10 0 GFAEHM O=C([O-])CN1CCN(c2cc(-c3cccnc3)nc(-c3ccccc3F)n2)CC1 ZINC000073685509 527610703 /nfs/dbraw/zinc/61/07/03/527610703.db2.gz WYVNHYNIVKIQGR-UHFFFAOYSA-N -1 3 393.422 2.551 10 0 GFAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(C)c(F)c2)s1 ZINC000119492160 551216792 /nfs/dbraw/zinc/21/67/92/551216792.db2.gz IMCAQDKLYKXSMD-LBPRGKRZSA-N -1 3 384.498 2.914 10 0 GFAEHM Cc1nc2n(n1)CCC[C@@H]2[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1F ZINC000177004018 552149277 /nfs/dbraw/zinc/14/92/77/552149277.db2.gz XFVSYXJQVZEDLB-NSHDSACASA-N -1 3 378.351 2.558 10 0 GFAEHM C[C@H](CC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)NC(=O)OC(C)(C)C ZINC000173090407 655163041 /nfs/dbraw/zinc/16/30/41/655163041.db2.gz OOQKZMKPLXRQST-SECBINFHSA-N -1 3 382.404 2.686 10 0 GFAEHM CCN1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000175236137 655216004 /nfs/dbraw/zinc/21/60/04/655216004.db2.gz AMSIGHPKMPVHHY-JTQLQIEISA-N -1 3 395.308 2.543 10 0 GFAEHM O=C(N[C@@H](CN1CCCC1)c1ccccc1)c1cnc(-c2ccncc2)[n-]c1=O ZINC000091536830 211195499 /nfs/dbraw/zinc/19/54/99/211195499.db2.gz QXOMTTKIGWUUQO-IBGZPJMESA-N -1 3 389.459 2.811 10 0 GFAEHM Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000177004756 552149357 /nfs/dbraw/zinc/14/93/57/552149357.db2.gz AKBZPOJJQFZUIQ-CYBMUJFWSA-N -1 3 375.281 2.848 10 0 GFAEHM Cc1nc2n(n1)CCC[C@H]2[N-]S(=O)(=O)c1ccc(F)cc1C(F)(F)F ZINC000177003752 552149585 /nfs/dbraw/zinc/14/95/85/552149585.db2.gz JNBJNACWHBZYIB-LLVKDONJSA-N -1 3 378.351 2.558 10 0 GFAEHM C[C@H](COCc1ccccc1)[N-]S(=O)(=O)c1cncc(Br)c1 ZINC000390820299 563523847 /nfs/dbraw/zinc/52/38/47/563523847.db2.gz VVGXOUTXCBIANV-GFCCVEGCSA-N -1 3 385.283 2.728 10 0 GFAEHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1O ZINC000052004156 654732060 /nfs/dbraw/zinc/73/20/60/654732060.db2.gz MOSIPEFHIZJPCU-MNOVXSKESA-N -1 3 398.706 2.693 10 0 GFAEHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-]CC1CCOCC1 ZINC000195012513 655418587 /nfs/dbraw/zinc/41/85/87/655418587.db2.gz MPSFKZMAXUZNQT-UHFFFAOYSA-N -1 3 398.706 2.816 10 0 GFAEHM CCCC(CCC)N1Cc2c(cc([N-]S(C)(=O)=O)cc2C(=O)OC)C1=O ZINC000089211144 211179534 /nfs/dbraw/zinc/17/95/34/211179534.db2.gz RDQPNCLGBFLBDN-UHFFFAOYSA-N -1 3 382.482 2.769 10 0 GFAEHM COc1cc(Br)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2O)cc1Cl ZINC000158512947 551552742 /nfs/dbraw/zinc/55/27/42/551552742.db2.gz KZWMZMSQDGFOAL-WDEREUQCSA-N -1 3 398.706 2.693 10 0 GFAEHM C[N-]S(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)cn1 ZINC000184765641 552344141 /nfs/dbraw/zinc/34/41/41/552344141.db2.gz OJBPTXWHGKAXRR-SECBINFHSA-N -1 3 388.276 2.788 10 0 GFAEHM O=S(=O)([N-][C@H]1CCCn2ncnc21)c1ccc(Cl)c(Br)c1 ZINC000192223926 552556571 /nfs/dbraw/zinc/55/65/71/552556571.db2.gz QPSRNLDCPASGIA-NSHDSACASA-N -1 3 391.678 2.507 10 0 GFAEHM Cc1ccc(-c2cn3c(n2)CO[C@@H](C[N-]S(=O)(=O)c2cccs2)C3)cc1 ZINC000096269267 560054291 /nfs/dbraw/zinc/05/42/91/560054291.db2.gz PWVXTTPCNUFGLJ-HNNXBMFYSA-N -1 3 389.502 2.797 10 0 GFAEHM O=S(=O)([N-]C[C@@H]1CCn2ccnc2C1)c1cc(C(F)(F)F)ccc1F ZINC000328627561 563461654 /nfs/dbraw/zinc/46/16/54/563461654.db2.gz MXBDEHWDEVIZNO-SNVBAGLBSA-N -1 3 377.363 2.582 10 0 GFAEHM C[C@@H]1NC(=O)CC[C@@H]1NCc1cc(Br)c([O-])c(Br)c1 ZINC000392906768 563527708 /nfs/dbraw/zinc/52/77/08/563527708.db2.gz XHIQFXHYBYWXGR-CPCISQLKSA-N -1 3 392.091 2.674 10 0 GFAEHM Cc1cc(=O)[n-]c(-c2cccc(CN3CCC(Nc4ncccn4)CC3)c2)n1 ZINC000023581953 570326833 /nfs/dbraw/zinc/32/68/33/570326833.db2.gz WBUVFFUZHVFHJB-UHFFFAOYSA-N -1 3 376.464 2.612 10 0 GFAEHM Cc1ccc(-n2cc(C(=O)[O-])c(=O)c3cc(F)c(N4CCNCC4)cc32)c(F)c1 ZINC000005930852 209232898 /nfs/dbraw/zinc/23/28/98/209232898.db2.gz YSBYRJYUZXQXTR-UHFFFAOYSA-N -1 3 399.397 2.685 10 0 GFAEHM C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2Cl)CCN1 ZINC000005929684 209233267 /nfs/dbraw/zinc/23/32/67/209233267.db2.gz VVDWMIBWDRTATF-SECBINFHSA-N -1 3 379.819 2.625 10 0 GFAEHM CC(C)(C)c1cn2nc(NCC[N-]S(=O)(=O)c3cccs3)sc2n1 ZINC000120011917 551219065 /nfs/dbraw/zinc/21/90/65/551219065.db2.gz MMDYWOYISXTHPS-UHFFFAOYSA-N -1 3 385.540 2.540 10 0 GFAEHM C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1nnc2n1CCCC2 ZINC000121699758 551240124 /nfs/dbraw/zinc/24/01/24/551240124.db2.gz RTYVWCRTUUQYDK-SECBINFHSA-N -1 3 375.281 2.961 10 0 GFAEHM Cc1cc(S(=O)(=O)[N-][C@H](CO)c2ccccc2)sc1Br ZINC000123620672 551307478 /nfs/dbraw/zinc/30/74/78/551307478.db2.gz BSJQHSIFFFVFIG-LLVKDONJSA-N -1 3 376.297 2.831 10 0 GFAEHM Cc1csc([C@H]2CCCN(C(=O)CC[N-]S(=O)(=O)c3cccs3)C2)n1 ZINC000173069576 551694086 /nfs/dbraw/zinc/69/40/86/551694086.db2.gz IPYLNGMHKDVGRD-ZDUSSCGKSA-N -1 3 399.563 2.588 10 0 GFAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@@H](C)c2cccs2)cc1F ZINC000180340436 552222953 /nfs/dbraw/zinc/22/29/53/552222953.db2.gz OPBLJQVZBDWRJN-JTQLQIEISA-N -1 3 392.499 2.688 10 0 GFAEHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCn3ccnc3C2)c(Cl)c1Cl ZINC000328637928 563462509 /nfs/dbraw/zinc/46/25/09/563462509.db2.gz WCNXWELPYZHODA-JTQLQIEISA-N -1 3 390.292 2.739 10 0 GFAEHM O=c1cc(-c2ccccc2)nc(-c2ccc(OCCN3CCOCC3)cc2)[n-]1 ZINC000090660643 209236901 /nfs/dbraw/zinc/23/69/01/209236901.db2.gz SIPRJBPDHDXJRW-UHFFFAOYSA-N -1 3 377.444 2.815 10 0 GFAEHM CC(C)C[C@H](CN(C)C)[N-]S(=O)(=O)c1ccc(F)cc1Br ZINC000040446199 551134790 /nfs/dbraw/zinc/13/47/90/551134790.db2.gz YIQXSRWKZNBTLM-GFCCVEGCSA-N -1 3 381.311 2.843 10 0 GFAEHM C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)c1nnc2n1CCCC2 ZINC000121704607 551240136 /nfs/dbraw/zinc/24/01/36/551240136.db2.gz CRYRJLOXALYUKA-SECBINFHSA-N -1 3 375.281 2.961 10 0 GFAEHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2nnc3n2CCCC3)c1 ZINC000121768692 551242229 /nfs/dbraw/zinc/24/22/29/551242229.db2.gz XOIPVPXMPWCTIM-JTQLQIEISA-N -1 3 382.873 2.510 10 0 GFAEHM O=S(=O)([N-][C@H]1CCCC[C@@H]1CO)c1ccc(Cl)c(Br)c1 ZINC000236497857 553069445 /nfs/dbraw/zinc/06/94/45/553069445.db2.gz XTQHCDAOCAEPND-RNCFNFMXSA-N -1 3 382.707 2.932 10 0 GFAEHM CSc1ccccc1NC(=O)CCN1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000262900520 553178305 /nfs/dbraw/zinc/17/83/05/553178305.db2.gz DPBADYJHXNHIDQ-GHMZBOCLSA-N -1 3 376.400 2.932 10 0 GFAEHM O=C(NCc1ccc([O-])c(Br)c1)N1CCO[C@@H](c2nccs2)C1 ZINC000126251521 654811599 /nfs/dbraw/zinc/81/15/99/654811599.db2.gz MUOJPCSEEYOXFE-CYBMUJFWSA-N -1 3 398.282 2.894 10 0 GFAEHM CN(C[C@H]1CC(=O)N(C(C)(C)C)C1)C(=O)c1c[n-]c2cc(Cl)ccc2c1=O ZINC000020109553 210316891 /nfs/dbraw/zinc/31/68/91/210316891.db2.gz HRAYXIFSKINPEW-GFCCVEGCSA-N -1 3 389.883 2.901 10 0 GFAEHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc(S(C)(=O)=O)cc1 ZINC000015358998 551111055 /nfs/dbraw/zinc/11/10/55/551111055.db2.gz WJCBXDYAPTWREL-SECBINFHSA-N -1 3 393.408 2.547 10 0 GFAEHM COc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCn3ccnc3C2)cc1Cl ZINC000328626919 563461836 /nfs/dbraw/zinc/46/18/36/563461836.db2.gz MELYMSMRYDTHHJ-SNVBAGLBSA-N -1 3 390.292 2.739 10 0 GFAEHM CCN1CCC[C@@H]([N-]S(=O)(=O)c2c(Cl)cccc2Br)C1 ZINC000380153324 563514408 /nfs/dbraw/zinc/51/44/08/563514408.db2.gz XQWHJJRZQJSKGB-SNVBAGLBSA-N -1 3 381.723 2.865 10 0 GFAEHM O=C([O-])CN1CCN(c2cc(-c3ccncc3)nc(-c3ccccc3F)n2)CC1 ZINC000073685504 527610719 /nfs/dbraw/zinc/61/07/19/527610719.db2.gz QPJFFEQKZXFOEL-UHFFFAOYSA-N -1 3 393.422 2.551 10 0 GFAEHM O=C(CC[N-]S(=O)(=O)c1cccs1)N[C@H]1CCCc2cc(F)ccc21 ZINC000153347453 551451147 /nfs/dbraw/zinc/45/11/47/551451147.db2.gz MCKQHAHTDGXTKW-HNNXBMFYSA-N -1 3 382.482 2.749 10 0 GFAEHM C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000153372169 551451231 /nfs/dbraw/zinc/45/12/31/551451231.db2.gz MMHGRUKDERLUNQ-XHDPSFHLSA-N -1 3 382.482 2.748 10 0 GFAEHM Cc1ccc2c(c1)[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1cccs1)[C@H](C)C2 ZINC000248407037 553129526 /nfs/dbraw/zinc/12/95/26/553129526.db2.gz CQDXKTHDTGFTCO-IIYDPXPESA-N -1 3 378.519 2.773 10 0 GFAEHM CCN1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)C1 ZINC000175236157 655216286 /nfs/dbraw/zinc/21/62/86/655216286.db2.gz AMSIGHPKMPVHHY-SNVBAGLBSA-N -1 3 395.308 2.543 10 0 GFAEHM Cc1ccc2nc(CN[C@H]3CCc4c(c(C(=O)[O-])nn4CC(C)C)C3)cn2c1 ZINC000067757732 222158282 /nfs/dbraw/zinc/15/82/82/222158282.db2.gz AEKQDMZEAKYPJF-HNNXBMFYSA-N -1 3 381.480 2.841 10 0 GFAEHM CCCN1CCN(c2ccc(NC(=O)COc3ccccc3)c(C(=O)[O-])c2)CC1 ZINC000064590329 534932594 /nfs/dbraw/zinc/93/25/94/534932594.db2.gz UWCDPQQRQHXJHF-UHFFFAOYSA-N -1 3 397.475 2.934 10 0 GFAEHM O=S(=O)([N-]CCNc1ccc(-c2ccc(F)cc2)nn1)c1cccs1 ZINC000120014107 551218878 /nfs/dbraw/zinc/21/88/78/551218878.db2.gz HOJMSOYZECCEIW-UHFFFAOYSA-N -1 3 378.454 2.735 10 0 GFAEHM O=S(=O)([N-]C[C@@H](O)CN1CCCCC1)c1cc2cc(Cl)ccc2s1 ZINC000158980444 551559760 /nfs/dbraw/zinc/55/97/60/551559760.db2.gz FEMDRXASMQJKDL-CQSZACIVSA-N -1 3 388.942 2.680 10 0 GFAEHM CCO[C@@H]1C[C@@H]([N-]S(=O)(=O)c2cc(F)ccc2Cl)C12CCOCC2 ZINC000185156772 552355966 /nfs/dbraw/zinc/35/59/66/552355966.db2.gz PHBFCLDXNKUMDW-HUUCEWRRSA-N -1 3 377.865 2.732 10 0 GFAEHM CCN1CCC[C@@H]([N-]S(=O)(=O)c2cc(Cl)ccc2O[C@@H](C)COC)C1 ZINC000190553570 552500905 /nfs/dbraw/zinc/50/09/05/552500905.db2.gz QJQQKHJYKFCCBU-DZGCQCFKSA-N -1 3 390.933 2.516 10 0 GFAEHM O=S(=O)([N-]C[C@H]1CCCC[C@H]1O)c1ccc(Cl)c(Br)c1 ZINC000236520543 553069103 /nfs/dbraw/zinc/06/91/03/553069103.db2.gz NFDSZKUAXWXWPP-NOZJJQNGSA-N -1 3 382.707 2.932 10 0 GFAEHM CN1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H](C(=O)[O-])C1 ZINC000725240653 570994805 /nfs/dbraw/zinc/99/48/05/570994805.db2.gz UFLXFRDILCRIKR-OAHLLOKOSA-N -1 3 380.444 2.884 10 0 GFAEHM C[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](c2nc(C)cs2)C(F)(F)F)c(C)o1 ZINC000122122497 654729249 /nfs/dbraw/zinc/72/92/49/654729249.db2.gz LPVWKBYWEXVGQW-JTQLQIEISA-N -1 3 398.384 2.721 10 0 GFAEHM Cn1cc([C@@H]2CCN(C(=O)NCc3ccc([O-])c(Br)c3)C2)cn1 ZINC000126226359 654810824 /nfs/dbraw/zinc/81/08/24/654810824.db2.gz DAEMGGWMHZPDJI-GFCCVEGCSA-N -1 3 379.258 2.587 10 0 GFAEHM COC[C@H](C)[N-]S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1 ZINC000110284563 551203596 /nfs/dbraw/zinc/20/35/96/551203596.db2.gz ZRUXSZKHKCPGPD-VIFPVBQESA-N -1 3 391.312 2.886 10 0 GFAEHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)c2cccs2)cc1F ZINC000180340452 552222987 /nfs/dbraw/zinc/22/29/87/552222987.db2.gz OPBLJQVZBDWRJN-SNVBAGLBSA-N -1 3 392.499 2.688 10 0 GFAEHM Cc1ccc2nc(CN[C@@H]3CCc4c(c(C(=O)[O-])nn4CC(C)C)C3)cn2c1 ZINC000067757730 222158065 /nfs/dbraw/zinc/15/80/65/222158065.db2.gz AEKQDMZEAKYPJF-OAHLLOKOSA-N -1 3 381.480 2.841 10 0 GFAEHM C[C@@H]1CN(Cc2cccc(-c3nc(-c4ccncc4)cc(=O)[n-]3)c2)CCN1C ZINC000067788038 222160086 /nfs/dbraw/zinc/16/00/86/222160086.db2.gz NOSXFTOEBNSTCA-MRXNPFEDSA-N -1 3 375.476 2.635 10 0 GFAEHM O=C([O-])CN1CCN(c2cc(-c3ccncc3)nc(-c3cccc(F)c3)n2)CC1 ZINC000073685472 527610689 /nfs/dbraw/zinc/61/06/89/527610689.db2.gz KQXPKGOKWUXDNS-UHFFFAOYSA-N -1 3 393.422 2.551 10 0 GFAEHM COc1ccc(Br)c(S(=O)(=O)[N-][C@H]2COc3ccccc32)c1 ZINC000175249455 552119051 /nfs/dbraw/zinc/11/90/51/552119051.db2.gz MHSPTNQOCZHJDT-ZDUSSCGKSA-N -1 3 384.251 2.870 10 0 GFAEHM Cc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1ccccc1S(C)(=O)=O)[C@H](C)C2 ZINC000180598112 552230673 /nfs/dbraw/zinc/23/06/73/552230673.db2.gz OXBQHFNEMFDFNX-FZKQIMNGSA-N -1 3 379.503 2.610 10 0 GFAEHM O=S(=O)([N-][C@@H]1CCCn2ncnc21)c1ccc(Br)cc1Cl ZINC000176749277 655254906 /nfs/dbraw/zinc/25/49/06/655254906.db2.gz GXNRDMBYWWWZGM-SNVBAGLBSA-N -1 3 391.678 2.507 10 0 GFAEHM Cc1oc(-c2ccccc2[N-]S(C)(=O)=O)nc1CN(C)[C@@H]1CCSC1 ZINC000011912283 221136438 /nfs/dbraw/zinc/13/64/38/221136438.db2.gz ICPLKEIKEDYGCY-CYBMUJFWSA-N -1 3 381.523 2.959 10 0 GFAEHM CC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2nnc3n2CCCC3)c1 ZINC000121768858 551242424 /nfs/dbraw/zinc/24/24/24/551242424.db2.gz XOIPVPXMPWCTIM-SNVBAGLBSA-N -1 3 382.873 2.510 10 0 GFAEHM Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(F)cc1F ZINC000175780991 552129102 /nfs/dbraw/zinc/12/91/02/552129102.db2.gz KLXQFGWAPMIVAC-NSHDSACASA-N -1 3 389.445 2.716 10 0 GFAEHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccco1)c1cccc(Br)c1 ZINC000188640581 552450847 /nfs/dbraw/zinc/45/08/47/552450847.db2.gz QWKIFYRXCKTNAW-LBPRGKRZSA-N -1 3 388.239 2.625 10 0 GFAEHM CCN1CCC[C@@H]1CN(C)C(=O)c1ccc(I)c([O-])c1 ZINC000230900349 553065768 /nfs/dbraw/zinc/06/57/68/553065768.db2.gz MWGYQCRPMJBSDA-GFCCVEGCSA-N -1 3 388.249 2.553 10 0 GFAEHM Cc1cnn(CC[N-]S(=O)(=O)c2cc(Br)ccc2Cl)c1 ZINC000117927715 655270080 /nfs/dbraw/zinc/27/00/80/655270080.db2.gz UNRDEAMUYJKFKT-UHFFFAOYSA-N -1 3 378.679 2.586 10 0 GFAEHM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000068323310 551191517 /nfs/dbraw/zinc/19/15/17/551191517.db2.gz LGIPQKRQIZZJNT-GFCCVEGCSA-N -1 3 384.860 2.805 10 0 GFAEHM C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1nnc2n1CCCC2 ZINC000121699608 551239709 /nfs/dbraw/zinc/23/97/09/551239709.db2.gz RTYVWCRTUUQYDK-VIFPVBQESA-N -1 3 375.281 2.961 10 0 GFAEHM CCCC(=O)N[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(Br)c2)C1 ZINC000126315907 551328209 /nfs/dbraw/zinc/32/82/09/551328209.db2.gz RPANHIYZPWNEDK-CYBMUJFWSA-N -1 3 398.301 2.745 10 0 GFAEHM CC[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl ZINC000248898956 553136923 /nfs/dbraw/zinc/13/69/23/553136923.db2.gz WHAUKHDRVHFAQJ-KBPBESRZSA-N -1 3 386.901 2.594 10 0 GFAEHM O=C([O-])C[N@H+](CC1CC1)C1CC(NCc2cccc([O-])c2Br)C1 ZINC000263533347 553189141 /nfs/dbraw/zinc/18/91/41/553189141.db2.gz XTUUOXZHRKAOEY-UHFFFAOYSA-N -1 3 383.286 2.572 10 0 GFAEHM O=C([O-])C[N@@H+](CC1CC1)C1CC(NCc2cccc([O-])c2Br)C1 ZINC000263533347 553189143 /nfs/dbraw/zinc/18/91/43/553189143.db2.gz XTUUOXZHRKAOEY-UHFFFAOYSA-N -1 3 383.286 2.572 10 0 GFAEHM Cc1cc(N2CCCCS2(=O)=O)ccc1S(=O)(=O)[N-]c1ccccc1 ZINC000012207966 221167491 /nfs/dbraw/zinc/16/74/91/221167491.db2.gz YCBYUDQLGHLXMD-UHFFFAOYSA-N -1 3 380.491 2.726 10 0 GFAEHM O=c1cc(C(F)(F)F)nc(NCCCN2CCN(c3ccc(F)cc3)CC2)[n-]1 ZINC000057342619 527474144 /nfs/dbraw/zinc/47/41/44/527474144.db2.gz BMDGGJCHEVCUAR-UHFFFAOYSA-N -1 3 399.392 2.552 10 0 GFAEHM CC(C)N1C[C@@H](C)[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Br)C1 ZINC000173883696 552095238 /nfs/dbraw/zinc/09/52/38/552095238.db2.gz MEXISAVLXHBZNW-MFKMUULPSA-N -1 3 379.295 2.595 10 0 GFAEHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C2C3CC4CC(C3)CC2C4)s1 ZINC000193806541 553003885 /nfs/dbraw/zinc/00/38/85/553003885.db2.gz VENCZJKNGCIKNT-UHFFFAOYSA-N -1 3 382.551 2.530 10 0 GFAEHM Cc1ccc(-c2nc(-c3cccnc3)cc(N3CCN(CC(=O)[O-])CC3)n2)cc1 ZINC000073685442 525798784 /nfs/dbraw/zinc/79/87/84/525798784.db2.gz NTAFBYVTEZFKEY-UHFFFAOYSA-N -1 3 389.459 2.721 10 0 GFAEHM CCO[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2Cl)C12CCOCC2 ZINC000185151565 552355955 /nfs/dbraw/zinc/35/59/55/552355955.db2.gz YIPSLWPQIPFHJP-CABCVRRESA-N -1 3 377.865 2.732 10 0 GFAEHM CCOC(=O)COc1c(Br)cc(C)cc1CN(C)[C@H](C)C(=O)[O-] ZINC000263418158 553187693 /nfs/dbraw/zinc/18/76/93/553187693.db2.gz NZETZCIWFJRCHK-LLVKDONJSA-N -1 3 388.258 2.604 10 0 GFAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)ccc1F ZINC000177402334 655275404 /nfs/dbraw/zinc/27/54/04/655275404.db2.gz OFIXEDDXQCOYBL-QWRGUYRKSA-N -1 3 382.379 2.585 10 0 GFAEHM