smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cc(S(=O)(=O)[N-]Cc2cc(Cl)cc(Cl)c2[O-])c(=O)n(C)c1=O ZINC000805135505 640509447 /nfs/dbraw/zinc/50/94/47/640509447.db2.gz MMYXGFLEXNGNSH-UHFFFAOYSA-N -2 3 394.236 0.575 20 10 GCCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)ccc1[O-] ZINC000790406139 1205463723 /nfs/dbraw/zinc/46/37/23/1205463723.db2.gz CUZVJVUDTKPUTM-UHFFFAOYSA-N -2 3 399.450 0.508 20 10 GCCDHL CN(C(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)C1(C)COC1 ZINC001185548605 1205923277 /nfs/dbraw/zinc/92/32/77/1205923277.db2.gz QLHNOSWSRQUYJN-SSDOTTSWSA-N -2 3 375.333 0.827 20 10 GCCDHL C[C@H]1CN(C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)C[C@@H]1O ZINC001185548936 1205923568 /nfs/dbraw/zinc/92/35/68/1205923568.db2.gz SATLSPILWIYCTL-CVJICSNFSA-N -2 3 375.333 0.419 20 10 GCCDHL O=C(NCCc1cc[nH]n1)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185553490 1205923888 /nfs/dbraw/zinc/92/38/88/1205923888.db2.gz QVJHWAPRCIKVCI-MRVPVSSYSA-N -2 3 385.332 0.662 20 10 GCCDHL Cn1ccnc1CCNC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185557559 1205923970 /nfs/dbraw/zinc/92/39/70/1205923970.db2.gz CQHSAXQISBBCMM-MRVPVSSYSA-N -2 3 399.359 0.672 20 10 GCCDHL O=C(N[C@H]1COC(=O)C1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185554676 1205923982 /nfs/dbraw/zinc/92/39/82/1205923982.db2.gz ZRQBUSJYMJUYCE-RITPCOANSA-N -2 3 375.289 0.012 20 10 GCCDHL O=C(NCCc1cc[nH]n1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185553491 1205924118 /nfs/dbraw/zinc/92/41/18/1205924118.db2.gz QVJHWAPRCIKVCI-QMMMGPOBSA-N -2 3 385.332 0.662 20 10 GCCDHL N=c1scc(N)n1C(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185541002 1205924545 /nfs/dbraw/zinc/92/45/45/1205924545.db2.gz GHAXUNBIFCXHHJ-SCSAIBSYSA-N -2 3 389.345 0.845 20 10 GCCDHL O=C([C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CCn2cnnc2C1 ZINC001185542675 1205924652 /nfs/dbraw/zinc/92/46/52/1205924652.db2.gz WGVPAILHSQMQQP-ZETCQYMHSA-N -2 3 398.331 0.214 20 10 GCCDHL CN(C(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)c1nccnc1N ZINC001185540615 1205924704 /nfs/dbraw/zinc/92/47/04/1205924704.db2.gz CGWPFJXZPICXTL-LURJTMIESA-N -2 3 398.331 0.615 20 10 GCCDHL CN1CC2(C1)CN(C(=O)[C@H]1CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c31)C2 ZINC001185546329 1205924883 /nfs/dbraw/zinc/92/48/83/1205924883.db2.gz BZOIPGVBBCOZKI-QMMMGPOBSA-N -2 3 386.360 0.354 20 10 GCCDHL COC[C@@H](C)NC(=O)NC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000737749451 600314531 /nfs/dbraw/zinc/31/45/31/600314531.db2.gz UOQIIYVWHXFNPF-SNVBAGLBSA-N -2 3 387.820 0.793 20 10 GCCDHL COC[C@H](C)NC(=O)NC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000737749450 600314594 /nfs/dbraw/zinc/31/45/94/600314594.db2.gz UOQIIYVWHXFNPF-JTQLQIEISA-N -2 3 387.820 0.793 20 10 GCCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3)ccc1[O-] ZINC000790408301 1205463920 /nfs/dbraw/zinc/46/39/20/1205463920.db2.gz VSOSIBFHJBWTGX-UHFFFAOYSA-N -2 3 397.434 0.596 20 10 GCCDHL O=C(NC[C@H]1CCOC1)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185553117 1205923607 /nfs/dbraw/zinc/92/36/07/1205923607.db2.gz MXSUYMXBJNLUSX-HTQZYQBOSA-N -2 3 375.333 0.733 20 10 GCCDHL CN(C)C(=O)CN(C)C(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185550222 1205923666 /nfs/dbraw/zinc/92/36/66/1205923666.db2.gz ZVMHDDQCQBOANI-SSDOTTSWSA-N -2 3 390.348 0.126 20 10 GCCDHL O=C(NCc1cc[nH]c(=O)c1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185552303 1205923700 /nfs/dbraw/zinc/92/37/00/1205923700.db2.gz DUFNWCQZERHMCI-QMMMGPOBSA-N -2 3 398.327 0.997 20 10 GCCDHL CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185557981 1205923926 /nfs/dbraw/zinc/92/39/26/1205923926.db2.gz GFKWMNBWSVQZAT-NRZXQICZSA-N -2 3 389.360 0.855 20 10 GCCDHL Cc1cnc(NC(=O)[C@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)c(=O)[nH]1 ZINC001185558028 1205923947 /nfs/dbraw/zinc/92/39/47/1205923947.db2.gz HMUNFXUKHDABHU-LURJTMIESA-N -2 3 399.315 0.610 20 10 GCCDHL C[C@@H]1C[C@H](O)CCN1C(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185547376 1205924805 /nfs/dbraw/zinc/92/48/05/1205924805.db2.gz JKKJEGUHLBXKBQ-IWSPIJDZSA-N -2 3 389.360 0.952 20 10 GCCDHL Cn1ncc2c1CN(C(=O)[C@@H]1CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c31)C2 ZINC001185547617 1205924827 /nfs/dbraw/zinc/92/48/27/1205924827.db2.gz LOMUNGOZHDIOFN-MRVPVSSYSA-N -2 3 397.343 0.856 20 10 GCCDHL O=C([C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CCCC12COC2 ZINC001185546953 1205924930 /nfs/dbraw/zinc/92/49/30/1205924930.db2.gz GCLUCQHYBNWPKT-QMMMGPOBSA-N -2 3 387.344 0.971 20 10 GCCDHL O=C([C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CCn2nncc2C1 ZINC001185548098 1205923252 /nfs/dbraw/zinc/92/32/52/1205923252.db2.gz OGMHABDNKBVIRR-MRVPVSSYSA-N -2 3 398.331 0.214 20 10 GCCDHL O=C(NCc1cccnn1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185552349 1205923439 /nfs/dbraw/zinc/92/34/39/1205923439.db2.gz FUMCJKZLUVNCQQ-QMMMGPOBSA-N -2 3 383.316 0.686 20 10 GCCDHL CN(C)C(=O)CN(C)C(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185550223 1205923562 /nfs/dbraw/zinc/92/35/62/1205923562.db2.gz ZVMHDDQCQBOANI-ZETCQYMHSA-N -2 3 390.348 0.126 20 10 GCCDHL Cc1ncc(CNC(=O)[C@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)cn1 ZINC001185552527 1205923571 /nfs/dbraw/zinc/92/35/71/1205923571.db2.gz HPCLAALFBPMNHJ-VIFPVBQESA-N -2 3 397.343 0.995 20 10 GCCDHL O=C([C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CCC2(COC2)C1 ZINC001185549154 1205923598 /nfs/dbraw/zinc/92/35/98/1205923598.db2.gz SVTBHMVVWFKICH-MRVPVSSYSA-N -2 3 387.344 0.829 20 10 GCCDHL O=C(NCC1(O)CCC1)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185554044 1205923832 /nfs/dbraw/zinc/92/38/32/1205923832.db2.gz VOQKPQUDFDEVAJ-SSDOTTSWSA-N -2 3 375.333 0.611 20 10 GCCDHL CCOC(=O)CCNC(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185553414 1205923879 /nfs/dbraw/zinc/92/38/79/1205923879.db2.gz PZMVBVIIGCYJRK-ZETCQYMHSA-N -2 3 391.332 0.649 20 10 GCCDHL O=C(N[C@H]1CCC[C@H]1CO)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185558012 1205923959 /nfs/dbraw/zinc/92/39/59/1205923959.db2.gz HDLUAJDYWLYHFG-NRPADANISA-N -2 3 389.360 0.857 20 10 GCCDHL Nc1cnc(NC(=O)[C@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)cn1 ZINC001185541288 1205924572 /nfs/dbraw/zinc/92/45/72/1205924572.db2.gz IQYOKGHRZSNRAH-YFKPBYRVSA-N -2 3 384.304 0.591 20 10 GCCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)c1 ZINC001604931754 972494255 /nfs/dbraw/zinc/49/42/55/972494255.db2.gz CLLKVVRRFXMCSY-JKIHBJTHSA-N -2 3 398.437 0.906 20 10 GCCDHL CC(=O)N1CCN(C(=O)CN(CC(=O)[O-])Cc2cc(Cl)ccc2[O-])CC1 ZINC000825839988 601005633 /nfs/dbraw/zinc/00/56/33/601005633.db2.gz HWELUVYTTBRHNB-UHFFFAOYSA-N -2 3 383.832 0.623 20 10 GCCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)c1 ZINC000833737740 604712630 /nfs/dbraw/zinc/71/26/30/604712630.db2.gz KWNWUHCTLSZEFT-GFCCVEGCSA-N -2 3 386.426 0.860 20 10 GCCDHL C[C@H]1CC[C@@H](CO)N1C(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185549270 1205923434 /nfs/dbraw/zinc/92/34/34/1205923434.db2.gz UOLWJRUXRXGTCF-CIUDSAMLSA-N -2 3 389.360 0.952 20 10 GCCDHL O=C(NCc1ccncn1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185552843 1205923507 /nfs/dbraw/zinc/92/35/07/1205923507.db2.gz LIZMQHFXPWBREN-QMMMGPOBSA-N -2 3 383.316 0.686 20 10 GCCDHL CC(C)(CNC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)C(N)=O ZINC001185553074 1205923579 /nfs/dbraw/zinc/92/35/79/1205923579.db2.gz MPFSSJNPVCNXBN-ZCFIWIBFSA-N -2 3 390.348 0.208 20 10 GCCDHL Cn1cc(CCNC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)cn1 ZINC001185553737 1205923989 /nfs/dbraw/zinc/92/39/89/1205923989.db2.gz SIKQJBMLIFRZGA-SECBINFHSA-N -2 3 399.359 0.672 20 10 GCCDHL Cc1ccnc(CNC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)n1 ZINC001185540949 1205924506 /nfs/dbraw/zinc/92/45/06/1205924506.db2.gz DYIBWWAITRVTFN-MRVPVSSYSA-N -2 3 397.343 0.995 20 10 GCCDHL O=C([C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1Cc2cncnc2C1 ZINC001185542354 1205924554 /nfs/dbraw/zinc/92/45/54/1205924554.db2.gz REUCOXMNHVLQOJ-QMMMGPOBSA-N -2 3 395.327 0.912 20 10 GCCDHL C[C@@]1(O)CCN(C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)C1 ZINC001185546281 1205924560 /nfs/dbraw/zinc/92/45/60/1205924560.db2.gz BPMSLGQTSJKFPA-LWESTGQBSA-N -2 3 375.333 0.563 20 10 GCCDHL C[C@@]1(O)CCN(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)C1 ZINC001185546283 1205924696 /nfs/dbraw/zinc/92/46/96/1205924696.db2.gz BPMSLGQTSJKFPA-ULCDLSAGSA-N -2 3 375.333 0.563 20 10 GCCDHL COC(=O)CN(CCS(=O)(=O)CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001604325976 973007050 /nfs/dbraw/zinc/00/70/50/973007050.db2.gz IOLVCOLBHXALFW-UHFFFAOYSA-N -2 3 379.818 0.520 20 10 GCCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])c1 ZINC001599760493 992115103 /nfs/dbraw/zinc/11/51/03/992115103.db2.gz HXLHMRHFAQVUAK-ZDUSSCGKSA-N -2 3 386.426 0.763 20 10 GCCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)ccc1[O-] ZINC000790406033 641413354 /nfs/dbraw/zinc/41/33/54/641413354.db2.gz AZYNKSRIZWUYKT-UHFFFAOYSA-N -2 3 386.407 0.830 20 10 GCCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c1 ZINC000774217648 1205866373 /nfs/dbraw/zinc/86/63/73/1205866373.db2.gz OKWNBPFOSXTPCU-VIFPVBQESA-N -2 3 382.398 0.872 20 10 GCCDHL O=C([C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001185549951 1205923498 /nfs/dbraw/zinc/92/34/98/1205923498.db2.gz SYVZPWRDSFACNO-HAFWLYHUSA-N -2 3 387.300 0.106 20 10 GCCDHL CCN(CCC(N)=O)C(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185548931 1205923517 /nfs/dbraw/zinc/92/35/17/1205923517.db2.gz RXEDAGCXOQKBPM-ZETCQYMHSA-N -2 3 390.348 0.304 20 10 GCCDHL O=C(NCc1cncnc1)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185552816 1205923547 /nfs/dbraw/zinc/92/35/47/1205923547.db2.gz KTIRCXGAORVZPC-MRVPVSSYSA-N -2 3 383.316 0.686 20 10 GCCDHL CC(C)(O)[C@H](F)CNC(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185559629 1205923891 /nfs/dbraw/zinc/92/38/91/1205923891.db2.gz YGMUALFKHNKRNY-QUBYGPBYSA-N -2 3 395.339 0.805 20 10 GCCDHL Cc1c[nH]c(CCNC(=O)[C@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)n1 ZINC001185554087 1205923997 /nfs/dbraw/zinc/92/39/97/1205923997.db2.gz WHKAWDIZWYVADJ-QMMMGPOBSA-N -2 3 399.359 0.970 20 10 GCCDHL O=C(N[C@@H]1CCOC[C@@H]1F)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185558230 1205924017 /nfs/dbraw/zinc/92/40/17/1205924017.db2.gz JOLFGPNOTGSUCC-BWVDBABLSA-N -2 3 393.323 0.823 20 10 GCCDHL CN(CC1COC1)C(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185546082 1205924606 /nfs/dbraw/zinc/92/46/06/1205924606.db2.gz AXXWBRRYABJYEX-MRVPVSSYSA-N -2 3 375.333 0.685 20 10 GCCDHL O=C(Nc1cn[nH]c(=O)c1)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185540557 1205924689 /nfs/dbraw/zinc/92/46/89/1205924689.db2.gz BEVXNPLBNQWDKD-ZCFIWIBFSA-N -2 3 385.288 0.714 20 10 GCCDHL COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000775286801 1206015020 /nfs/dbraw/zinc/01/50/20/1206015020.db2.gz OEAIUMDMVMNKAN-UHFFFAOYSA-N -2 3 376.346 0.863 20 10 GCCDHL O=C(c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1[O-])N1CC(O)C1 ZINC000760178820 1197200738 /nfs/dbraw/zinc/20/07/38/1197200738.db2.gz WMUBCPMBNHITQQ-UHFFFAOYSA-N -2 3 393.377 0.918 20 10 GCCDHL CC(C)N1CC(NC(=O)[C@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)C1 ZINC001185552436 1205923540 /nfs/dbraw/zinc/92/35/40/1205923540.db2.gz HEENECQVMCIEGI-VIFPVBQESA-N -2 3 388.376 0.789 20 10 GCCDHL O=C(NCCC1COC1)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185553174 1205923655 /nfs/dbraw/zinc/92/36/55/1205923655.db2.gz NXXTXLRMCAOGGV-MRVPVSSYSA-N -2 3 375.333 0.733 20 10 GCCDHL Cc1nccn1CCNC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185552328 1205923680 /nfs/dbraw/zinc/92/36/80/1205923680.db2.gz FMIVYHMQGQGVSW-SECBINFHSA-N -2 3 399.359 0.901 20 10 GCCDHL O=C(NCC1OCCO1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185552203 1205923736 /nfs/dbraw/zinc/92/37/36/1205923736.db2.gz DDSPJNWGDVWVKL-LURJTMIESA-N -2 3 377.305 0.069 20 10 GCCDHL Cc1nnc(CNC(=O)[C@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)[nH]1 ZINC001185557569 1205923936 /nfs/dbraw/zinc/92/39/36/1205923936.db2.gz CRUOXMIBBWAIRN-LURJTMIESA-N -2 3 386.320 0.323 20 10 GCCDHL Cn1cc(CCNC(=O)[C@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)cn1 ZINC001185553740 1205923993 /nfs/dbraw/zinc/92/39/93/1205923993.db2.gz SIKQJBMLIFRZGA-VIFPVBQESA-N -2 3 399.359 0.672 20 10 GCCDHL CN1CCC[C@H](NC(=O)[C@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)C1 ZINC001185554666 1205924079 /nfs/dbraw/zinc/92/40/79/1205924079.db2.gz ZNELJQUHGNCAES-IUCAKERBSA-N -2 3 388.376 0.790 20 10 GCCDHL CC(C)(O)[C@H](F)CNC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185559628 1205924103 /nfs/dbraw/zinc/92/41/03/1205924103.db2.gz YGMUALFKHNKRNY-LHLIQPBNSA-N -2 3 395.339 0.805 20 10 GCCDHL COCC1CN(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)C1 ZINC001185541594 1205924548 /nfs/dbraw/zinc/92/45/48/1205924548.db2.gz LDKFRIAAZXNHCI-QMMMGPOBSA-N -2 3 375.333 0.685 20 10 GCCDHL C[C@]1(O)CCN(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)C1 ZINC001185546284 1205925093 /nfs/dbraw/zinc/92/50/93/1205925093.db2.gz BPMSLGQTSJKFPA-VIIUKITBSA-N -2 3 375.333 0.563 20 10 GCCDHL C[C@H](CC(=O)[O-])N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000827374012 601121877 /nfs/dbraw/zinc/12/18/77/601121877.db2.gz CXRQXCWLWPCCIR-LLVKDONJSA-N -2 3 385.442 0.385 20 10 GCCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc(C(N)=O)cc2)ccc1[O-] ZINC000790408322 641413996 /nfs/dbraw/zinc/41/39/96/641413996.db2.gz WCDUDUAZGLLYDW-UHFFFAOYSA-N -2 3 385.423 0.200 20 10 GCCDHL COC(=O)c1cc([O-])c(F)cc1[N-]S(=O)(=O)CCCS(=O)(=O)N(C)C ZINC000830155667 642133027 /nfs/dbraw/zinc/13/30/27/642133027.db2.gz IXPBJFAFBGQBTE-UHFFFAOYSA-N -2 3 398.434 0.341 20 10 GCCDHL COC(CN(C)C(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)OC ZINC001185548140 1205923224 /nfs/dbraw/zinc/92/32/24/1205923224.db2.gz OLHHWXWJZAZEOV-SSDOTTSWSA-N -2 3 393.348 0.657 20 10 GCCDHL O=C(NCCC1COC1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185553175 1205923428 /nfs/dbraw/zinc/92/34/28/1205923428.db2.gz NXXTXLRMCAOGGV-QMMMGPOBSA-N -2 3 375.333 0.733 20 10 GCCDHL O=C(NCc1cc[nH]c(=O)c1)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185552302 1205923551 /nfs/dbraw/zinc/92/35/51/1205923551.db2.gz DUFNWCQZERHMCI-MRVPVSSYSA-N -2 3 398.327 0.997 20 10 GCCDHL O=C(NCc1cncnc1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185552817 1205923691 /nfs/dbraw/zinc/92/36/91/1205923691.db2.gz KTIRCXGAORVZPC-QMMMGPOBSA-N -2 3 383.316 0.686 20 10 GCCDHL CC1(C)[C@H](O)C[C@@H]1NC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185557979 1205924046 /nfs/dbraw/zinc/92/40/46/1205924046.db2.gz GFKWMNBWSVQZAT-LIEZGIJOSA-N -2 3 389.360 0.855 20 10 GCCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c1 ZINC001599760438 992113874 /nfs/dbraw/zinc/11/38/74/992113874.db2.gz DNPGOHTXOMZGLA-OAHLLOKOSA-N -2 3 383.382 0.209 20 10 GCCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CCC(=O)[O-])C2CCOCC2)c1 ZINC000833737959 604721988 /nfs/dbraw/zinc/72/19/88/604721988.db2.gz ONLAKWZOWFQZEF-UHFFFAOYSA-N -2 3 386.426 0.860 20 10 GCCDHL CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(S(=O)(=O)NC)c2)cc1 ZINC000790408386 1205463865 /nfs/dbraw/zinc/46/38/65/1205463865.db2.gz XPDCLLLKGMZMEE-UHFFFAOYSA-N -2 3 399.450 0.461 20 10 GCCDHL CC(C)(CNC(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)C(N)=O ZINC001185553071 1205923513 /nfs/dbraw/zinc/92/35/13/1205923513.db2.gz MPFSSJNPVCNXBN-LURJTMIESA-N -2 3 390.348 0.208 20 10 GCCDHL O=C(NCc1cccnn1)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185552348 1205923633 /nfs/dbraw/zinc/92/36/33/1205923633.db2.gz FUMCJKZLUVNCQQ-MRVPVSSYSA-N -2 3 383.316 0.686 20 10 GCCDHL Cn1cnc(CCNC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)c1 ZINC001185553527 1205924051 /nfs/dbraw/zinc/92/40/51/1205924051.db2.gz RDWKFXOFRCFNAE-SECBINFHSA-N -2 3 399.359 0.672 20 10 GCCDHL Cc1nonc1CNC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185554557 1205924077 /nfs/dbraw/zinc/92/40/77/1205924077.db2.gz XJORLQLJCMWDSC-ZCFIWIBFSA-N -2 3 387.304 0.588 20 10 GCCDHL CCNC(=O)CN(C)C(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185542175 1205924540 /nfs/dbraw/zinc/92/45/40/1205924540.db2.gz PZJDHPGIAQCEKF-SSDOTTSWSA-N -2 3 390.348 0.174 20 10 GCCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)c1 ZINC001599760499 992115033 /nfs/dbraw/zinc/11/50/33/992115033.db2.gz IOVFIOUJRZQCDN-NSHDSACASA-N -2 3 394.409 0.923 20 10 GCCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC000774293373 1205869145 /nfs/dbraw/zinc/86/91/45/1205869145.db2.gz QDULKYUVZWAYHM-SECBINFHSA-N -2 3 381.414 0.607 20 10 GCCDHL O=C(N[C@@H]1CCC[C@@H]1O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185552276 1205923453 /nfs/dbraw/zinc/92/34/53/1205923453.db2.gz DOAKARCFFCAABZ-ZQARSLAVSA-N -2 3 375.333 0.609 20 10 GCCDHL O=C(N[C@@H]1CCC[C@@H]1O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185552275 1205923530 /nfs/dbraw/zinc/92/35/30/1205923530.db2.gz DOAKARCFFCAABZ-VDAHYXPESA-N -2 3 375.333 0.609 20 10 GCCDHL O=C(NCc1ccncn1)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185552842 1205923591 /nfs/dbraw/zinc/92/35/91/1205923591.db2.gz LIZMQHFXPWBREN-MRVPVSSYSA-N -2 3 383.316 0.686 20 10 GCCDHL CCN(CCC(N)=O)C(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185548930 1205923747 /nfs/dbraw/zinc/92/37/47/1205923747.db2.gz RXEDAGCXOQKBPM-SSDOTTSWSA-N -2 3 390.348 0.304 20 10 GCCDHL Cc1nonc1CNC(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185554556 1205923908 /nfs/dbraw/zinc/92/39/08/1205923908.db2.gz XJORLQLJCMWDSC-LURJTMIESA-N -2 3 387.304 0.588 20 10 GCCDHL O=C(Nc1c[nH]ccc1=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185547249 1205924785 /nfs/dbraw/zinc/92/47/85/1205924785.db2.gz IFQBNZREYPDGMB-LURJTMIESA-N -2 3 384.300 0.907 20 10 GCCDHL Cn1ncc2c1CN(C(=O)[C@H]1CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c31)C2 ZINC001185547619 1205924943 /nfs/dbraw/zinc/92/49/43/1205924943.db2.gz LOMUNGOZHDIOFN-QMMMGPOBSA-N -2 3 397.343 0.856 20 10 GCCDHL CCN(C(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)C1CN(C)C1 ZINC001185546568 1205925049 /nfs/dbraw/zinc/92/50/49/1205925049.db2.gz FAYSPOCASAFOJL-VIFPVBQESA-N -2 3 388.376 0.742 20 10 GCCDHL O=C([C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CCc2n[nH]cc2C1 ZINC001185546596 1205925090 /nfs/dbraw/zinc/92/50/90/1205925090.db2.gz DCFYZQGYHZGOJR-MRVPVSSYSA-N -2 3 397.343 0.888 20 10 GCCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)c1 ZINC000833737742 604712211 /nfs/dbraw/zinc/71/22/11/604712211.db2.gz KWNWUHCTLSZEFT-LBPRGKRZSA-N -2 3 386.426 0.860 20 10 GCCDHL C[C@H]1C[C@@H](CO)N(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)C1 ZINC001185548647 1205923295 /nfs/dbraw/zinc/92/32/95/1205923295.db2.gz QNTPOCJYHGRXNV-CIUDSAMLSA-N -2 3 389.360 0.809 20 10 GCCDHL O=C(NC[C@H]1CCOC1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185553120 1205923534 /nfs/dbraw/zinc/92/35/34/1205923534.db2.gz MXSUYMXBJNLUSX-SFYZADRCSA-N -2 3 375.333 0.733 20 10 GCCDHL Cc1nccn1CCNC(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185552329 1205923563 /nfs/dbraw/zinc/92/35/63/1205923563.db2.gz FMIVYHMQGQGVSW-VIFPVBQESA-N -2 3 399.359 0.901 20 10 GCCDHL COC(C)(CNC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)OC ZINC001185558730 1205923912 /nfs/dbraw/zinc/92/39/12/1205923912.db2.gz QNMXSJLDYBAHSU-SSDOTTSWSA-N -2 3 393.348 0.705 20 10 GCCDHL Cn1ccnc1CCNC(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185557561 1205923954 /nfs/dbraw/zinc/92/39/54/1205923954.db2.gz CQHSAXQISBBCMM-QMMMGPOBSA-N -2 3 399.359 0.672 20 10 GCCDHL CN1CCC[C@H](NC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)C1 ZINC001185554665 1205924009 /nfs/dbraw/zinc/92/40/09/1205924009.db2.gz ZNELJQUHGNCAES-DTWKUNHWSA-N -2 3 388.376 0.790 20 10 GCCDHL O=C(N[C@H]1COC(=O)C1)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185554675 1205924068 /nfs/dbraw/zinc/92/40/68/1205924068.db2.gz ZRQBUSJYMJUYCE-PHDIDXHHSA-N -2 3 375.289 0.012 20 10 GCCDHL CC1(C)[C@H](O)C[C@H]1NC(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185557980 1205924090 /nfs/dbraw/zinc/92/40/90/1205924090.db2.gz GFKWMNBWSVQZAT-MQOMDTIOSA-N -2 3 389.360 0.855 20 10 GCCDHL C[C@]1(O)CCN(C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)C1 ZINC001185546282 1205924500 /nfs/dbraw/zinc/92/45/00/1205924500.db2.gz BPMSLGQTSJKFPA-MDTSDYNXSA-N -2 3 375.333 0.563 20 10 GCCDHL N=c1scc(N)n1C(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185541001 1205924597 /nfs/dbraw/zinc/92/45/97/1205924597.db2.gz GHAXUNBIFCXHHJ-BYPYZUCNSA-N -2 3 389.345 0.845 20 10 GCCDHL O=C(NCCn1ccnc1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185541966 1205924601 /nfs/dbraw/zinc/92/46/01/1205924601.db2.gz NMDNUIKSXTUMPJ-QMMMGPOBSA-N -2 3 385.332 0.593 20 10 GCCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)ccc1[O-] ZINC000790407070 1205463818 /nfs/dbraw/zinc/46/38/18/1205463818.db2.gz RWPPTDFBZGEROZ-UHFFFAOYSA-N -2 3 399.406 0.948 20 10 GCCDHL O=C([C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CCc2[nH]cnc2C1 ZINC001185548102 1205923214 /nfs/dbraw/zinc/92/32/14/1205923214.db2.gz OIMZJJGKDUQXIA-SSDOTTSWSA-N -2 3 397.343 0.888 20 10 GCCDHL O=C([C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CCn2nncc2C1 ZINC001185548099 1205923335 /nfs/dbraw/zinc/92/33/35/1205923335.db2.gz OGMHABDNKBVIRR-QMMMGPOBSA-N -2 3 398.331 0.214 20 10 GCCDHL O=C([C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CCN2CC[C@@H]2C1 ZINC001185550823 1205923555 /nfs/dbraw/zinc/92/35/55/1205923555.db2.gz YWFKMTSBBGRSEU-RKDXNWHRSA-N -2 3 386.360 0.496 20 10 GCCDHL C[C@@]1(O)C[C@H](NC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)C1 ZINC001185552515 1205923587 /nfs/dbraw/zinc/92/35/87/1205923587.db2.gz HMEWIFFTDFPMBW-YEKMCNHQSA-N -2 3 375.333 0.609 20 10 GCCDHL O=C([C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CCC2(COC2)C1 ZINC001185549157 1205923696 /nfs/dbraw/zinc/92/36/96/1205923696.db2.gz SVTBHMVVWFKICH-QMMMGPOBSA-N -2 3 387.344 0.829 20 10 GCCDHL O=C([C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CCN2CC[C@H]2C1 ZINC001185550822 1205923709 /nfs/dbraw/zinc/92/37/09/1205923709.db2.gz YWFKMTSBBGRSEU-IUCAKERBSA-N -2 3 386.360 0.496 20 10 GCCDHL Cc1nccnc1CNC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185557656 1205923822 /nfs/dbraw/zinc/92/38/22/1205923822.db2.gz DDFIINBWESTEFZ-MRVPVSSYSA-N -2 3 397.343 0.995 20 10 GCCDHL CC1(C)[C@H](O)C[C@H]1NC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185557978 1205923828 /nfs/dbraw/zinc/92/38/28/1205923828.db2.gz GFKWMNBWSVQZAT-DIMCTHFVSA-N -2 3 389.360 0.855 20 10 GCCDHL CCOC(=O)CCNC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185553412 1205924035 /nfs/dbraw/zinc/92/40/35/1205924035.db2.gz PZMVBVIIGCYJRK-SSDOTTSWSA-N -2 3 391.332 0.649 20 10 GCCDHL Cn1ccnc1CNC(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185542857 1205924529 /nfs/dbraw/zinc/92/45/29/1205924529.db2.gz XVBLIHWGWWQNJD-ZETCQYMHSA-N -2 3 385.332 0.630 20 10 GCCDHL CCNC(=O)CN(C)C(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185542176 1205924587 /nfs/dbraw/zinc/92/45/87/1205924587.db2.gz PZJDHPGIAQCEKF-ZETCQYMHSA-N -2 3 390.348 0.174 20 10 GCCDHL CN(C(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)c1nccnc1N ZINC001185540616 1205924638 /nfs/dbraw/zinc/92/46/38/1205924638.db2.gz CGWPFJXZPICXTL-ZCFIWIBFSA-N -2 3 398.331 0.615 20 10 GCCDHL O=C([C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CC[C@@H](O)[C@H](F)C1 ZINC001185546912 1205924811 /nfs/dbraw/zinc/92/48/11/1205924811.db2.gz FTNASFMXADFLKS-FTLITQJKSA-N -2 3 393.323 0.511 20 10 GCCDHL C[C@@H]1C[C@H](O)CCN1C(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185547374 1205925109 /nfs/dbraw/zinc/92/51/09/1205925109.db2.gz JKKJEGUHLBXKBQ-HLTSFMKQSA-N -2 3 389.360 0.952 20 10 GCCDHL O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc([O-])c([N+](=O)[O-])c3)cc2[nH]c1=O ZINC000775289471 1206013900 /nfs/dbraw/zinc/01/39/00/1206013900.db2.gz VDXGLVWLFJDGFI-UHFFFAOYSA-N -2 3 378.322 0.631 20 10 GCCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])c1 ZINC001594171161 959000684 /nfs/dbraw/zinc/00/06/84/959000684.db2.gz GIPADZIFVYNVPL-ZDUSSCGKSA-N -2 3 379.394 0.584 20 10 GCCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])c1 ZINC001594171160 959001562 /nfs/dbraw/zinc/00/15/62/959001562.db2.gz GIPADZIFVYNVPL-CYBMUJFWSA-N -2 3 379.394 0.584 20 10 GCCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NC[C@@H]2CCC3(CC(C(=O)[O-])C3)O2)c1 ZINC001604931752 972493652 /nfs/dbraw/zinc/49/36/52/972493652.db2.gz CLLKVVRRFXMCSY-FBWYHRDQSA-N -2 3 398.437 0.906 20 10 GCCDHL C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCN1CCC(=O)[O-] ZINC001594489230 985589989 /nfs/dbraw/zinc/58/99/89/985589989.db2.gz OKTWXDRHYOCNKR-NSHDSACASA-N -2 3 385.442 0.385 20 10 GCCDHL C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CC1 ZINC000827374014 601121880 /nfs/dbraw/zinc/12/18/80/601121880.db2.gz CXRQXCWLWPCCIR-NSHDSACASA-N -2 3 385.442 0.385 20 10 GCCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1[O-] ZINC000790404595 641413275 /nfs/dbraw/zinc/41/32/75/641413275.db2.gz FOYSVAIIZXZJBJ-UHFFFAOYSA-N -3 3 386.407 0.799 20 10 GCCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)ccc1[O-] ZINC000790408090 1205463750 /nfs/dbraw/zinc/46/37/50/1205463750.db2.gz TVLLYWCQKZWEFD-UHFFFAOYSA-N -2 3 398.422 0.683 20 10 GCCDHL C[C@H]1C[C@@H](CO)N(C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)C1 ZINC001185548683 1205923212 /nfs/dbraw/zinc/92/32/12/1205923212.db2.gz QNTPOCJYHGRXNV-XHNCKOQMSA-N -2 3 389.360 0.809 20 10 GCCDHL O=C([C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CCN2CC[C@@H]2C1 ZINC001185550820 1205923473 /nfs/dbraw/zinc/92/34/73/1205923473.db2.gz YWFKMTSBBGRSEU-BDAKNGLRSA-N -2 3 386.360 0.496 20 10 GCCDHL Cc1ncc(CNC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)cn1 ZINC001185552526 1205923489 /nfs/dbraw/zinc/92/34/89/1205923489.db2.gz HPCLAALFBPMNHJ-SECBINFHSA-N -2 3 397.343 0.995 20 10 GCCDHL C[C@@]1(O)C[C@H](NC(=O)[C@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)C1 ZINC001185552514 1205923503 /nfs/dbraw/zinc/92/35/03/1205923503.db2.gz HMEWIFFTDFPMBW-FHHFXDHISA-N -2 3 375.333 0.609 20 10 GCCDHL O=C(NCCc1cnccn1)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185552046 1205923616 /nfs/dbraw/zinc/92/36/16/1205923616.db2.gz ATVDTUJEKPGPDP-SECBINFHSA-N -2 3 397.343 0.729 20 10 GCCDHL O=C(NC[C@@H]1CCOC1)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185553119 1205923724 /nfs/dbraw/zinc/92/37/24/1205923724.db2.gz MXSUYMXBJNLUSX-JGVFFNPUSA-N -2 3 375.333 0.733 20 10 GCCDHL O=C([C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1C[C@@H]2C[C@H]1C(=O)O2 ZINC001185549947 1205923742 /nfs/dbraw/zinc/92/37/42/1205923742.db2.gz SYVZPWRDSFACNO-BBVRLYRLSA-N -2 3 387.300 0.106 20 10 GCCDHL O=C(N[C@@H]1CCOC[C@@H]1F)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185558231 1205923845 /nfs/dbraw/zinc/92/38/45/1205923845.db2.gz JOLFGPNOTGSUCC-CNUIFLNQSA-N -2 3 393.323 0.823 20 10 GCCDHL Cc1cnc(NC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)c(=O)[nH]1 ZINC001185558029 1205924063 /nfs/dbraw/zinc/92/40/63/1205924063.db2.gz HMUNFXUKHDABHU-ZCFIWIBFSA-N -2 3 399.315 0.610 20 10 GCCDHL Nc1cnc(NC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)cn1 ZINC001185541287 1205924658 /nfs/dbraw/zinc/92/46/58/1205924658.db2.gz IQYOKGHRZSNRAH-RXMQYKEDSA-N -2 3 384.304 0.591 20 10 GCCDHL COC(=O)[C@H](C)N(C)C(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185547880 1205924987 /nfs/dbraw/zinc/92/49/87/1205924987.db2.gz MWHWTAXEMKWVFF-NKWVEPMBSA-N -2 3 391.332 0.600 20 10 GCCDHL CN1CC2(C1)CN(C(=O)[C@@H]1CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c31)C2 ZINC001185546328 1205925100 /nfs/dbraw/zinc/92/51/00/1205925100.db2.gz BZOIPGVBBCOZKI-MRVPVSSYSA-N -2 3 386.360 0.354 20 10 GCCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCCc2ncc(C(=O)[O-])s2)c1 ZINC001599760456 992114036 /nfs/dbraw/zinc/11/40/36/992114036.db2.gz FRNWLNLMMHIKHA-UHFFFAOYSA-N -2 3 385.423 0.891 20 10 GCCDHL CCS(=O)(=O)[N-]c1ccc([N-]S(=O)(=O)c2cnnn2C)cc1OC ZINC000863401776 641232924 /nfs/dbraw/zinc/23/29/24/641232924.db2.gz YSTMBYIYJPPABY-UHFFFAOYSA-N -2 3 375.432 0.386 20 10 GCCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])ccc1[O-] ZINC000790404053 641413437 /nfs/dbraw/zinc/41/34/37/641413437.db2.gz DDUBFLYWVJQBGY-UHFFFAOYSA-N -3 3 388.423 0.815 20 10 GCCDHL CNS(=O)(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)OC3)ccc1[O-] ZINC000790407447 1205463829 /nfs/dbraw/zinc/46/38/29/1205463829.db2.gz MBWKFYSMKGWAFU-UHFFFAOYSA-N -2 3 398.418 0.772 20 10 GCCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1 ZINC000774217647 1205866286 /nfs/dbraw/zinc/86/62/86/1205866286.db2.gz OKWNBPFOSXTPCU-SECBINFHSA-N -2 3 382.398 0.872 20 10 GCCDHL O=C([C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CC2(C1)CCCO2 ZINC001185550086 1205923559 /nfs/dbraw/zinc/92/35/59/1205923559.db2.gz ZEWIIDCHKOZWFL-MRVPVSSYSA-N -2 3 387.344 0.971 20 10 GCCDHL Cc1nccnc1CNC(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185557658 1205923941 /nfs/dbraw/zinc/92/39/41/1205923941.db2.gz DDFIINBWESTEFZ-QMMMGPOBSA-N -2 3 397.343 0.995 20 10 GCCDHL COCC1CN(C(=O)[C@@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)C1 ZINC001185541593 1205924491 /nfs/dbraw/zinc/92/44/91/1205924491.db2.gz LDKFRIAAZXNHCI-MRVPVSSYSA-N -2 3 375.333 0.685 20 10 GCCDHL Cc1ccnc(CNC(=O)[C@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)n1 ZINC001185540950 1205924518 /nfs/dbraw/zinc/92/45/18/1205924518.db2.gz DYIBWWAITRVTFN-QMMMGPOBSA-N -2 3 397.343 0.995 20 10 GCCDHL O=C([C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CCn2cnnc2C1 ZINC001185542674 1205924524 /nfs/dbraw/zinc/92/45/24/1205924524.db2.gz WGVPAILHSQMQQP-SSDOTTSWSA-N -2 3 398.331 0.214 20 10 GCCDHL CCN(C(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)C1CN(C)C1 ZINC001185546567 1205924965 /nfs/dbraw/zinc/92/49/65/1205924965.db2.gz FAYSPOCASAFOJL-SECBINFHSA-N -2 3 388.376 0.742 20 10 GCCDHL O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000828988502 978991080 /nfs/dbraw/zinc/99/10/80/978991080.db2.gz TWDWXTGMDCSRRV-UHFFFAOYSA-N -2 3 394.453 0.795 20 10 GCCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC[C@]3(CC(C(=O)[O-])=NO3)C2)c1 ZINC001599760437 992113808 /nfs/dbraw/zinc/11/38/08/992113808.db2.gz DNPGOHTXOMZGLA-HNNXBMFYSA-N -2 3 383.382 0.209 20 10 GCCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)c1 ZINC001599760498 992115192 /nfs/dbraw/zinc/11/51/92/992115192.db2.gz IOVFIOUJRZQCDN-LLVKDONJSA-N -2 3 394.409 0.923 20 10 GCCDHL O=C([C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CCc2[nH]cnc2C1 ZINC001185548103 1205923291 /nfs/dbraw/zinc/92/32/91/1205923291.db2.gz OIMZJJGKDUQXIA-ZETCQYMHSA-N -2 3 397.343 0.888 20 10 GCCDHL CN(C(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)C1(C)COC1 ZINC001185548644 1205923344 /nfs/dbraw/zinc/92/33/44/1205923344.db2.gz QLHNOSWSRQUYJN-ZETCQYMHSA-N -2 3 375.333 0.827 20 10 GCCDHL O=C(NCCc1cnccn1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185552047 1205923482 /nfs/dbraw/zinc/92/34/82/1205923482.db2.gz ATVDTUJEKPGPDP-VIFPVBQESA-N -2 3 397.343 0.729 20 10 GCCDHL O=C([C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CCN2CC[C@H]2C1 ZINC001185550821 1205923610 /nfs/dbraw/zinc/92/36/10/1205923610.db2.gz YWFKMTSBBGRSEU-DTWKUNHWSA-N -2 3 386.360 0.496 20 10 GCCDHL O=C([C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CC2(C1)CCCO2 ZINC001185550087 1205923661 /nfs/dbraw/zinc/92/36/61/1205923661.db2.gz ZEWIIDCHKOZWFL-QMMMGPOBSA-N -2 3 387.344 0.971 20 10 GCCDHL O=C(NC[C@H]1C[C@@H](O)C1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185553099 1205923678 /nfs/dbraw/zinc/92/36/78/1205923678.db2.gz MRZJXNGZPLZAJH-RNJXMRFFSA-N -2 3 375.333 0.467 20 10 GCCDHL COC(C)(CNC(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)OC ZINC001185558733 1205923857 /nfs/dbraw/zinc/92/38/57/1205923857.db2.gz QNMXSJLDYBAHSU-ZETCQYMHSA-N -2 3 393.348 0.705 20 10 GCCDHL O=C(N[C@H]1CCC[C@H]1CO)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185558013 1205923867 /nfs/dbraw/zinc/92/38/67/1205923867.db2.gz HDLUAJDYWLYHFG-XKSSXDPKSA-N -2 3 389.360 0.857 20 10 GCCDHL Cc1nnc(CNC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)o1 ZINC001185557765 1205923966 /nfs/dbraw/zinc/92/39/66/1205923966.db2.gz FMVVJEFFXADTRW-ZCFIWIBFSA-N -2 3 387.304 0.588 20 10 GCCDHL Cn1cnc(CCNC(=O)[C@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)c1 ZINC001185553530 1205924072 /nfs/dbraw/zinc/92/40/72/1205924072.db2.gz RDWKFXOFRCFNAE-VIFPVBQESA-N -2 3 399.359 0.672 20 10 GCCDHL O=C(Nc1cn[nH]c(=O)c1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185540556 1205924496 /nfs/dbraw/zinc/92/44/96/1205924496.db2.gz BEVXNPLBNQWDKD-LURJTMIESA-N -2 3 385.288 0.714 20 10 GCCDHL Cn1ccnc1CNC(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185542856 1205924666 /nfs/dbraw/zinc/92/46/66/1205924666.db2.gz XVBLIHWGWWQNJD-SSDOTTSWSA-N -2 3 385.332 0.630 20 10 GCCDHL O=C(Nc1c[nH]ccc1=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185547250 1205924816 /nfs/dbraw/zinc/92/48/16/1205924816.db2.gz IFQBNZREYPDGMB-ZCFIWIBFSA-N -2 3 384.300 0.907 20 10 GCCDHL O=C([C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CC[C@@H](O)[C@H](F)C1 ZINC001185546919 1205925031 /nfs/dbraw/zinc/92/50/31/1205925031.db2.gz FTNASFMXADFLKS-NBEYISGCSA-N -2 3 393.323 0.511 20 10 GCCDHL COC(=O)[C@H](C)N(C)C(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185547879 1205925087 /nfs/dbraw/zinc/92/50/87/1205925087.db2.gz MWHWTAXEMKWVFF-BQBZGAKWSA-N -2 3 391.332 0.600 20 10 GCCDHL O=C([O-])CN(CC(=O)NCC(=O)N1CCCC1)Cc1cc(Cl)ccc1[O-] ZINC000739783589 600145164 /nfs/dbraw/zinc/14/51/64/600145164.db2.gz AIOQLPAWJXXEEK-UHFFFAOYSA-N -2 3 383.832 0.671 20 10 GCCDHL CC(C)(C)NC(=O)CNC(=O)CN(CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000736261818 600314284 /nfs/dbraw/zinc/31/42/84/600314284.db2.gz SZYSLZAIDSLWHU-UHFFFAOYSA-N -2 3 385.848 0.963 20 10 GCCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c1 ZINC000774293375 1205869068 /nfs/dbraw/zinc/86/90/68/1205869068.db2.gz QDULKYUVZWAYHM-VIFPVBQESA-N -2 3 381.414 0.607 20 10 GCCDHL COC(CN(C)C(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)OC ZINC001185548150 1205923259 /nfs/dbraw/zinc/92/32/59/1205923259.db2.gz OLHHWXWJZAZEOV-ZETCQYMHSA-N -2 3 393.348 0.657 20 10 GCCDHL O=C(NCC1OCCO1)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185552206 1205923464 /nfs/dbraw/zinc/92/34/64/1205923464.db2.gz DDSPJNWGDVWVKL-ZCFIWIBFSA-N -2 3 377.305 0.069 20 10 GCCDHL CC(C)N1CC(NC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)C1 ZINC001185552434 1205923641 /nfs/dbraw/zinc/92/36/41/1205923641.db2.gz HEENECQVMCIEGI-SECBINFHSA-N -2 3 388.376 0.789 20 10 GCCDHL C[C@H]1CC[C@@H](CO)N1C(=O)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185549271 1205923647 /nfs/dbraw/zinc/92/36/47/1205923647.db2.gz UOLWJRUXRXGTCF-XHNCKOQMSA-N -2 3 389.360 0.952 20 10 GCCDHL C[C@H]1CN(C(=O)[C@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)C[C@@H]1O ZINC001185548937 1205923674 /nfs/dbraw/zinc/92/36/74/1205923674.db2.gz SATLSPILWIYCTL-HFJPGXAFSA-N -2 3 375.333 0.419 20 10 GCCDHL O=C(NC[C@@H]1CCOC1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185553121 1205923729 /nfs/dbraw/zinc/92/37/29/1205923729.db2.gz MXSUYMXBJNLUSX-YUMQZZPRSA-N -2 3 375.333 0.733 20 10 GCCDHL Cc1nnc(CNC(=O)[C@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)o1 ZINC001185557763 1205923835 /nfs/dbraw/zinc/92/38/35/1205923835.db2.gz FMVVJEFFXADTRW-LURJTMIESA-N -2 3 387.304 0.588 20 10 GCCDHL Cc1cc(CNC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)[nH]n1 ZINC001185553381 1205923842 /nfs/dbraw/zinc/92/38/42/1205923842.db2.gz PTUPYFPYLOVNCE-MRVPVSSYSA-N -2 3 385.332 0.928 20 10 GCCDHL Cc1cc(CNC(=O)[C@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)[nH]n1 ZINC001185553383 1205924128 /nfs/dbraw/zinc/92/41/28/1205924128.db2.gz PTUPYFPYLOVNCE-QMMMGPOBSA-N -2 3 385.332 0.928 20 10 GCCDHL O=C(NCCn1ccnc1)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185541965 1205924542 /nfs/dbraw/zinc/92/45/42/1205924542.db2.gz NMDNUIKSXTUMPJ-MRVPVSSYSA-N -2 3 385.332 0.593 20 10 GCCDHL O=C([C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1Cc2cncnc2C1 ZINC001185542353 1205924614 /nfs/dbraw/zinc/92/46/14/1205924614.db2.gz REUCOXMNHVLQOJ-MRVPVSSYSA-N -2 3 395.327 0.912 20 10 GCCDHL CN(CC1COC1)C(=O)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185546084 1205924756 /nfs/dbraw/zinc/92/47/56/1205924756.db2.gz AXXWBRRYABJYEX-QMMMGPOBSA-N -2 3 375.333 0.685 20 10 GCCDHL O=C([C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CCc2n[nH]cc2C1 ZINC001185546597 1205924908 /nfs/dbraw/zinc/92/49/08/1205924908.db2.gz DCFYZQGYHZGOJR-QMMMGPOBSA-N -2 3 397.343 0.888 20 10 GCCDHL O=C([C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21)N1CCCC12COC2 ZINC001185546951 1205925019 /nfs/dbraw/zinc/92/50/19/1205925019.db2.gz GCLUCQHYBNWPKT-MRVPVSSYSA-N -2 3 387.344 0.971 20 10 GCCDHL C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])CCN1CCC(=O)[O-] ZINC001594489229 985590200 /nfs/dbraw/zinc/59/02/00/985590200.db2.gz OKTWXDRHYOCNKR-LLVKDONJSA-N -2 3 385.442 0.385 20 10 GCCDHL CS(=O)(=O)Nc1ccc([O-])c(C(=O)N[C@H](CC2CCOCC2)C(=O)[O-])c1 ZINC001599760492 992115024 /nfs/dbraw/zinc/11/50/24/992115024.db2.gz HXLHMRHFAQVUAK-CYBMUJFWSA-N -2 3 386.426 0.763 20 10 GCCDHL O=C(NC[C@H]1C[C@@H](O)C1)[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185553090 1205923575 /nfs/dbraw/zinc/92/35/75/1205923575.db2.gz MRZJXNGZPLZAJH-GJMOJQLCSA-N -2 3 375.333 0.467 20 10 GCCDHL Cc1c[nH]c(CCNC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)n1 ZINC001185554086 1205923854 /nfs/dbraw/zinc/92/38/54/1205923854.db2.gz WHKAWDIZWYVADJ-MRVPVSSYSA-N -2 3 399.359 0.970 20 10 GCCDHL Cc1nnc(CNC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc([O-])c(O)c([O-])c4c32)[nH]1 ZINC001185557573 1205923860 /nfs/dbraw/zinc/92/38/60/1205923860.db2.gz CRUOXMIBBWAIRN-ZCFIWIBFSA-N -2 3 386.320 0.323 20 10 GCCDHL O=C(NCC1(O)CCC1)[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c([O-])c3c21 ZINC001185554045 1205924039 /nfs/dbraw/zinc/92/40/39/1205924039.db2.gz VOQKPQUDFDEVAJ-ZETCQYMHSA-N -2 3 375.333 0.611 20 10 GCCDHL