smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(I)cc2)C(=O)[N-]C1=S ZINC000000658450 551514550 /nfs/dbraw/zinc/51/45/50/551514550.db2.gz JGJCEANUFUENEP-OQLLNIDSSA-N -1 1 557.207 3.889 50 10 KHCAMM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)[O-])cc4C)c3C)C(=O)NC2=S)c(OC)c1 ZINC000000681560 551524339 /nfs/dbraw/zinc/52/43/39/551524339.db2.gz NRVBWTQLTILKBK-UDWIEESQSA-N -1 1 519.579 3.949 50 10 KHCAMM CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)c(Br)c(Br)c1OCc1ccccc1 ZINC000000997822 551595147 /nfs/dbraw/zinc/59/51/47/551595147.db2.gz FMYKNQVRFHAPAM-UHFFFAOYSA-N -1 1 524.165 3.939 50 10 KHCAMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)c(Br)c(Br)c1OCc1ccccc1 ZINC000000997822 551595143 /nfs/dbraw/zinc/59/51/43/551595143.db2.gz FMYKNQVRFHAPAM-UHFFFAOYSA-N -1 1 524.165 3.939 50 10 KHCAMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000001083084 551606263 /nfs/dbraw/zinc/60/62/63/551606263.db2.gz UUWLGUNPUZAKHR-UHFFFAOYSA-N -1 1 537.266 3.767 50 10 KHCAMM CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000001083084 551606260 /nfs/dbraw/zinc/60/62/60/551606260.db2.gz UUWLGUNPUZAKHR-UHFFFAOYSA-N -1 1 537.266 3.767 50 10 KHCAMM O=C([O-])c1ccccc1-c1ccc(/C=C2\C(=O)NN(c3ccc(I)cc3)C2=O)o1 ZINC000001170150 551620145 /nfs/dbraw/zinc/62/01/45/551620145.db2.gz YHICMAPXDLCTJK-GZTJUZNOSA-N -1 1 500.248 3.711 50 10 KHCAMM COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000001196279 551622742 /nfs/dbraw/zinc/62/27/42/551622742.db2.gz AALBOCNXJJBRCW-UHFFFAOYSA-N -1 1 547.132 3.935 50 10 KHCAMM COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000001196279 551622741 /nfs/dbraw/zinc/62/27/41/551622741.db2.gz AALBOCNXJJBRCW-UHFFFAOYSA-N -1 1 547.132 3.935 50 10 KHCAMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1ccccc1Cl ZINC000001197234 551622716 /nfs/dbraw/zinc/62/27/16/551622716.db2.gz IKTXXKXVLLGGOF-UHFFFAOYSA-N -1 1 526.714 3.672 50 10 KHCAMM CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1ccccc1Cl ZINC000001197234 551622714 /nfs/dbraw/zinc/62/27/14/551622714.db2.gz IKTXXKXVLLGGOF-UHFFFAOYSA-N -1 1 526.714 3.672 50 10 KHCAMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000001198645 551623073 /nfs/dbraw/zinc/62/30/73/551623073.db2.gz QHVWYXJHSYMRJA-UHFFFAOYSA-N -1 1 526.714 3.672 50 10 KHCAMM CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000001198645 551623071 /nfs/dbraw/zinc/62/30/71/551623071.db2.gz QHVWYXJHSYMRJA-UHFFFAOYSA-N -1 1 526.714 3.672 50 10 KHCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1cc(Br)cc(I)c1OCc1ccccc1 ZINC000002086095 551756039 /nfs/dbraw/zinc/75/60/39/551756039.db2.gz ZNUMROPTRJCCBT-UHFFFAOYSA-N -1 1 543.180 3.547 50 10 KHCAMM COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000002262668 552084969 /nfs/dbraw/zinc/08/49/69/552084969.db2.gz TXNHGAPOKDSJCJ-UDWIEESQSA-N -1 1 506.511 3.943 50 10 KHCAMM O=C1[N-]C(=O)/C(=C\c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)C(=O)N1 ZINC000002775730 552186699 /nfs/dbraw/zinc/18/66/99/552186699.db2.gz ZCGAHIQVHLJCMS-UHFFFAOYSA-N -1 1 530.150 3.569 50 10 KHCAMM O=C1[N-]C(=O)/C(=C/c2cc(Br)c(OS(=O)(=O)c3ccccc3)c(Br)c2)C(=O)N1 ZINC000002775730 552186697 /nfs/dbraw/zinc/18/66/97/552186697.db2.gz ZCGAHIQVHLJCMS-UHFFFAOYSA-N -1 1 530.150 3.569 50 10 KHCAMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCCOc1ccccc1C ZINC000002947294 552228227 /nfs/dbraw/zinc/22/82/27/552228227.db2.gz LDIAHJGQBINDSH-UHFFFAOYSA-N -1 1 505.390 3.528 50 10 KHCAMM O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(S(=O)(=O)N2CCCC2)c1)c1ccc([O-])c(O)c1 ZINC000003442077 552387722 /nfs/dbraw/zinc/38/77/22/552387722.db2.gz SZGFYSFKCXNVHV-UHFFFAOYSA-N -1 1 537.619 3.556 50 10 KHCAMM Cc1ccc(N2NC(=O)/C(=C\c3ccc(-c4ccc(S(=O)(=O)[N-]c5nccs5)cc4)o3)C2=O)cc1 ZINC000006038859 552520821 /nfs/dbraw/zinc/52/08/21/552520821.db2.gz KWGPASYYTLEJIW-XSFVSMFZSA-N -1 1 506.565 3.974 50 10 KHCAMM Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccc(S(=O)(=O)[N-]c5nccs5)cc4)o3)C2=O)cc1 ZINC000008442294 553043227 /nfs/dbraw/zinc/04/32/27/553043227.db2.gz KWGPASYYTLEJIW-ZHZULCJRSA-N -1 1 506.565 3.974 50 10 KHCAMM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000008443480 553046584 /nfs/dbraw/zinc/04/65/84/553046584.db2.gz PVDUULJKXUQOTR-ZNQKWNQWSA-N -1 1 668.351 3.937 50 10 KHCAMM CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000008443481 553046938 /nfs/dbraw/zinc/04/69/38/553046938.db2.gz PVDUULJKXUQOTR-MRCZTLKWSA-N -1 1 668.351 3.937 50 10 KHCAMM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C(=O)[O-])ccc4C)c3C)C(=O)NC2=S)c(OC)c1 ZINC000008451795 553062011 /nfs/dbraw/zinc/06/20/11/553062011.db2.gz BCSJZFNDSFEOQR-RGVLZGJSSA-N -1 1 519.579 3.949 50 10 KHCAMM COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)[O-])c4C)c3C)C(=O)NC2=S)c(OC)c1 ZINC000008451796 553062221 /nfs/dbraw/zinc/06/22/21/553062221.db2.gz UZKACOSJROAADZ-UDWIEESQSA-N -1 1 519.579 3.949 50 10 KHCAMM O=C([O-])CCCCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000008872578 553173540 /nfs/dbraw/zinc/17/35/40/553173540.db2.gz VHWGMNQNCFDYDR-NMWGTECJSA-N -1 1 577.732 3.863 50 10 KHCAMM CCCCCCN1C(=O)/C(=C\c2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C(=O)[N-]C1=S ZINC000009108785 553209729 /nfs/dbraw/zinc/20/97/29/553209729.db2.gz DOADDGNUYBPDDI-RCCKNPSSSA-N -1 1 505.596 3.698 50 10 KHCAMM COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000009310981 553239263 /nfs/dbraw/zinc/23/92/63/553239263.db2.gz LHDFQBXXSIPTMX-FYJGNVAPSA-N -1 1 518.547 3.812 50 10 KHCAMM CCCCCCN1C(=O)/C(=C\c2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)C(=O)[N-]C1=S ZINC000009462599 553268524 /nfs/dbraw/zinc/26/85/24/553268524.db2.gz DOADDGNUYBPDDI-QNGOZBTKSA-N -1 1 505.596 3.698 50 10 KHCAMM COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCCOc1ccc(C(C)(C)C)cc1 ZINC000009659406 553292949 /nfs/dbraw/zinc/29/29/49/553292949.db2.gz CYBDYYAQWYUADC-UHFFFAOYSA-N -1 1 517.376 3.962 50 10 KHCAMM COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCCOc1ccc(C(C)(C)C)cc1 ZINC000009659406 553292946 /nfs/dbraw/zinc/29/29/46/553292946.db2.gz CYBDYYAQWYUADC-UHFFFAOYSA-N -1 1 517.376 3.962 50 10 KHCAMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Br)c1OCCOc1ccc(C)c(C)c1 ZINC000009659777 553293210 /nfs/dbraw/zinc/29/32/10/553293210.db2.gz HEKZRIXWCSZYDW-UHFFFAOYSA-N -1 1 519.417 3.837 50 10 KHCAMM CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCCOc1ccc(C)c(C)c1 ZINC000012285028 553356298 /nfs/dbraw/zinc/35/62/98/553356298.db2.gz JZYNRIJOCYOYSY-UHFFFAOYSA-N -1 1 503.349 3.672 50 10 KHCAMM CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Br)c1OCCOc1ccc(C)c(C)c1 ZINC000012285028 553356297 /nfs/dbraw/zinc/35/62/97/553356297.db2.gz JZYNRIJOCYOYSY-UHFFFAOYSA-N -1 1 503.349 3.672 50 10 KHCAMM COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000012628078 553405040 /nfs/dbraw/zinc/40/50/40/553405040.db2.gz UVIKIVFXOVHGJR-UHFFFAOYSA-N -1 1 501.826 3.982 50 10 KHCAMM CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3cc(=O)oc4cc([O-])c(O)cc34)o2)c1 ZINC000013031134 553441545 /nfs/dbraw/zinc/44/15/45/553441545.db2.gz APQQCMKNAYAIMS-UHFFFAOYSA-N -1 1 503.558 3.577 50 10 KHCAMM Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2cc(Br)ccc2[O-])[NH2+][C@@]3(CC(C)C)C(=O)[O-])c1 ZINC000015276128 553530337 /nfs/dbraw/zinc/53/03/37/553530337.db2.gz LQZJSBDQWABBNS-AZXNSQLWSA-N -1 1 501.377 3.783 50 10 KHCAMM Cc1cccc(N2C(=O)[C@@H]3[C@H](c4cc(Br)ccc4[O-])[NH2+][C@](CC(C)C)(C(=O)[O-])[C@H]3C2=O)c1 ZINC000015276130 553530257 /nfs/dbraw/zinc/53/02/57/553530257.db2.gz LQZJSBDQWABBNS-VKDGWMQASA-N -1 1 501.377 3.783 50 10 KHCAMM O=C([O-])c1ccccc1-c1ccc(/C=C2/C(=O)NN(c3ccc(I)cc3)C2=O)o1 ZINC000015822170 1066858002 /nfs/dbraw/zinc/85/80/02/1066858002.db2.gz YHICMAPXDLCTJK-BOPFTXTBSA-N -1 1 500.248 3.711 50 10 KHCAMM O=C1[N-]C(=S)S/C1=C\c1cc(Br)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000022170779 553727402 /nfs/dbraw/zinc/72/74/02/553727402.db2.gz RYWZZPRMWIIAGC-ZSOIEALJSA-N -1 1 501.361 3.614 50 10 KHCAMM O=C([O-])c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(I)cc4)C3=O)o2)cc1 ZINC000032099505 553862545 /nfs/dbraw/zinc/86/25/45/553862545.db2.gz MGTPMZAVPRCRTB-BOPFTXTBSA-N -1 1 500.248 3.711 50 10 KHCAMM CCC(=O)Nc1ccc([C@@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)cc1 ZINC000032914597 553876201 /nfs/dbraw/zinc/87/62/01/553876201.db2.gz BFNYHGROLTWNBK-OAHLLOKOSA-N -1 1 512.544 3.941 50 10 KHCAMM CCC(=O)Nc1ccc([C@H](C)NC(=O)c2cc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)cc1 ZINC000032914598 553876114 /nfs/dbraw/zinc/87/61/14/553876114.db2.gz BFNYHGROLTWNBK-HNNXBMFYSA-N -1 1 512.544 3.941 50 10 KHCAMM CN(Cc1ccc(Br)o1)C(=O)c1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O ZINC000032914749 553876472 /nfs/dbraw/zinc/87/64/72/553876472.db2.gz NHFMIEFMWCNFDI-UHFFFAOYSA-N -1 1 510.322 3.729 50 10 KHCAMM COc1ccc(N2CCN(CCCNC(=O)CCCn3c(=O)c4cc(Br)ccc4[n-]c3=S)CC2)cc1 ZINC000033357832 553951145 /nfs/dbraw/zinc/95/11/45/553951145.db2.gz OUADHFXGFHMJLQ-UHFFFAOYSA-N -1 1 574.545 3.565 50 10 KHCAMM COc1ccc(CCNC(=O)CCn2c(=O)c3ccccc3nc2SCC(=O)c2ccc([O-])c(O)c2)cc1OC ZINC000033357846 553951352 /nfs/dbraw/zinc/95/13/52/553951352.db2.gz PMVAAGVDCWCIMV-UHFFFAOYSA-N -1 1 563.632 3.549 50 10 KHCAMM O=C([O-])c1ccc(COc2c(I)cc(C=C3C(=O)NC(=O)NC3=O)cc2I)cc1 ZINC000033358383 553955059 /nfs/dbraw/zinc/95/50/59/553955059.db2.gz GJTGHHZDFJXOTF-UHFFFAOYSA-N -1 1 618.121 3.763 50 10 KHCAMM COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])cc(-c6ccc(O)c(O)c6)oc-5c43)cc2c1 ZINC000096114429 553725085 /nfs/dbraw/zinc/72/50/85/553725085.db2.gz SDQPGKYALNQJRB-HNNXBMFYSA-N -1 1 513.458 3.868 50 10 biogenic KHCAMM COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4cc(=O)c5c([O-])cc(-c6ccc(O)c(O)c6)oc-5c43)cc2c1 ZINC000096114430 553725030 /nfs/dbraw/zinc/72/50/30/553725030.db2.gz SDQPGKYALNQJRB-OAHLLOKOSA-N -1 1 513.458 3.868 50 10 biogenic KHCAMM COC(=O)C[C@@H](c1ccc2nccnc2c1)C1=C2OC(c3ccc(O)c(O)c3)C(=O)C(O)=C2C([O-])=CC1=O ZINC000096114811 553725367 /nfs/dbraw/zinc/72/53/67/553725367.db2.gz UTCYJTGDYPRRRW-AWEZNQCLSA-N -1 1 516.462 3.626 50 10 biogenic KHCAMM COC(=O)C[C@H](c1ccc2nccnc2c1)C1=C2OC(c3ccc(O)c(O)c3)C(=O)C(O)=C2C([O-])=CC1=O ZINC000096114812 553725417 /nfs/dbraw/zinc/72/54/17/553725417.db2.gz UTCYJTGDYPRRRW-CQSZACIVSA-N -1 1 516.462 3.626 50 10 biogenic KHCAMM COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)cc2c1OCCO2 ZINC000096114933 553725323 /nfs/dbraw/zinc/72/53/23/553725323.db2.gz HNVZOAHDHSJQIK-AWEZNQCLSA-N -1 1 504.447 3.798 50 10 biogenic KHCAMM COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)cc2c1OCCO2 ZINC000096114934 553725448 /nfs/dbraw/zinc/72/54/48/553725448.db2.gz HNVZOAHDHSJQIK-CQSZACIVSA-N -1 1 504.447 3.798 50 10 biogenic KHCAMM COC(=O)COc1ccccc1[C@@H]1CC(=O)Oc2cc(=O)c3c([O-])cc(-c4ccc(O)c(O)c4)oc-3c21 ZINC000096115558 553726017 /nfs/dbraw/zinc/72/60/17/553726017.db2.gz WLQICVWKRXDENB-HNNXBMFYSA-N -1 1 504.447 3.570 50 10 biogenic KHCAMM COC(=O)COc1ccccc1[C@H]1CC(=O)Oc2cc(=O)c3c([O-])cc(-c4ccc(O)c(O)c4)oc-3c21 ZINC000096115559 553726129 /nfs/dbraw/zinc/72/61/29/553726129.db2.gz WLQICVWKRXDENB-OAHLLOKOSA-N -1 1 504.447 3.570 50 10 biogenic KHCAMM Cc1ccc2cc([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c(O)c(-c6ccc(O)c(O)c6)oc-5c43)c(=O)[nH]c2c1 ZINC000096220867 553730164 /nfs/dbraw/zinc/73/01/64/553730164.db2.gz NJSJJTXYNMWFPF-AWEZNQCLSA-N -1 1 513.458 3.873 50 10 biogenic KHCAMM Cc1ccc2cc([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c(O)c(-c6ccc(O)c(O)c6)oc-5c43)c(=O)[nH]c2c1 ZINC000096220868 553730137 /nfs/dbraw/zinc/73/01/37/553730137.db2.gz NJSJJTXYNMWFPF-CQSZACIVSA-N -1 1 513.458 3.873 50 10 biogenic KHCAMM Cn1c(=O)c([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc2ccccc21 ZINC000096221230 553730311 /nfs/dbraw/zinc/73/03/11/553730311.db2.gz ZDWWWQHCQQADOB-AWEZNQCLSA-N -1 1 513.458 3.575 50 10 biogenic KHCAMM Cn1c(=O)c([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc2ccccc21 ZINC000096221232 553730185 /nfs/dbraw/zinc/73/01/85/553730185.db2.gz ZDWWWQHCQQADOB-CQSZACIVSA-N -1 1 513.458 3.575 50 10 biogenic KHCAMM COC(=O)C[C@H]1c2c(nc3sccn32)Oc2cc(=O)c3c([O-])c(O)c(-c4ccc(O)c(O)c4)oc-3c21 ZINC000096222361 553730854 /nfs/dbraw/zinc/73/08/54/553730854.db2.gz ZVFODBWXGHEUQG-SNVBAGLBSA-N -1 1 508.464 3.792 50 10 biogenic KHCAMM COC(=O)C[C@@H]1c2c(nc3sccn32)Oc2cc(=O)c3c([O-])c(O)c(-c4ccc(O)c(O)c4)oc-3c21 ZINC000096222362 553730978 /nfs/dbraw/zinc/73/09/78/553730978.db2.gz ZVFODBWXGHEUQG-JTQLQIEISA-N -1 1 508.464 3.792 50 10 biogenic KHCAMM Cc1cccc2cc([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c(O)c(-c6ccc(O)c(O)c6)oc-5c43)c(=O)[nH]c12 ZINC000096222540 553731255 /nfs/dbraw/zinc/73/12/55/553731255.db2.gz HXRAHFVAPYPQIK-AWEZNQCLSA-N -1 1 513.458 3.873 50 10 biogenic KHCAMM Cc1cccc2cc([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c(O)c(-c6ccc(O)c(O)c6)oc-5c43)c(=O)[nH]c12 ZINC000096222542 553731286 /nfs/dbraw/zinc/73/12/86/553731286.db2.gz HXRAHFVAPYPQIK-CQSZACIVSA-N -1 1 513.458 3.873 50 10 biogenic KHCAMM O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@H](c1coc3ccccc3c1=O)CC(=O)O2 ZINC000096222680 553731330 /nfs/dbraw/zinc/73/13/30/553731330.db2.gz ITEXFJXSZWKXLJ-ZDUSSCGKSA-N -1 1 500.415 3.830 50 10 biogenic KHCAMM O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@@H](c1coc3ccccc3c1=O)CC(=O)O2 ZINC000096222681 553731311 /nfs/dbraw/zinc/73/13/11/553731311.db2.gz ITEXFJXSZWKXLJ-CYBMUJFWSA-N -1 1 500.415 3.830 50 10 biogenic KHCAMM Cc1cc(Br)c(N2C(=O)[N-]C(=O)C(=CNc3ccc(S(=O)(=O)Nc4nccs4)cc3)C2=O)cc1C ZINC000097961092 553875105 /nfs/dbraw/zinc/87/51/05/553875105.db2.gz RJZSVVUGFQKIMB-WJDWOHSUSA-N -1 1 576.454 3.902 50 10 KHCAMM COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)cc(OC)c1OC(C)=O ZINC000097972053 553965609 /nfs/dbraw/zinc/96/56/09/553965609.db2.gz SETWFFWTIUXCDG-HNNXBMFYSA-N -1 1 534.473 3.960 50 10 biogenic KHCAMM COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)c(O)c5)oc-4c32)cc(OC)c1OC(C)=O ZINC000097972054 553965797 /nfs/dbraw/zinc/96/57/97/553965797.db2.gz SETWFFWTIUXCDG-OAHLLOKOSA-N -1 1 534.473 3.960 50 10 biogenic KHCAMM COc1ccc2cc([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])cc(-c6ccc(O)c(O)c6)oc-5c43)c(=O)n(C)c2c1 ZINC000097972066 553965620 /nfs/dbraw/zinc/96/56/20/553965620.db2.gz QGXMDEWVTJXPPK-INIZCTEOSA-N -1 1 527.485 3.878 50 10 biogenic KHCAMM COc1ccc2cc([C@H]3CC(=O)Oc4cc(=O)c5c([O-])cc(-c6ccc(O)c(O)c6)oc-5c43)c(=O)n(C)c2c1 ZINC000097972067 553965595 /nfs/dbraw/zinc/96/55/95/553965595.db2.gz QGXMDEWVTJXPPK-MRXNPFEDSA-N -1 1 527.485 3.878 50 10 biogenic KHCAMM Cc1ccccc1N1C(=O)/C(=C/c2cc(I)c([O-])c(I)c2)C(=O)NC1=S ZINC000100068664 554200409 /nfs/dbraw/zinc/20/04/09/554200409.db2.gz YSKXFYJXMNUZDB-IZZDOVSWSA-N -1 1 590.180 3.741 50 10 KHCAMM O=C([O-])[C@]1(Cc2ccccc2)[NH2+][C@@H](c2cc(Br)ccc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000100122455 554224361 /nfs/dbraw/zinc/22/43/61/554224361.db2.gz LVGVLQOLESTRGK-NBCVKUGOSA-N -1 1 535.394 3.667 50 10 KHCAMM O=C([O-])[C@@]1(Cc2ccccc2)[NH2+][C@@H](c2cc(Br)ccc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000100122459 554224449 /nfs/dbraw/zinc/22/44/49/554224449.db2.gz LVGVLQOLESTRGK-GIRPNKPCSA-N -1 1 535.394 3.667 50 10 KHCAMM O=C([O-])[C@]1(Cc2ccccc2)[NH2+][C@@H](c2cc(Br)ccc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000100122463 554224438 /nfs/dbraw/zinc/22/44/38/554224438.db2.gz LVGVLQOLESTRGK-RNLGNXJRSA-N -1 1 535.394 3.667 50 10 KHCAMM O=C([O-])[C@@]1(Cc2ccccc2)[NH2+][C@@H](c2cc(Br)ccc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 ZINC000100122467 554224689 /nfs/dbraw/zinc/22/46/89/554224689.db2.gz LVGVLQOLESTRGK-FAWUNYRSSA-N -1 1 535.394 3.667 50 10 KHCAMM Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCC(=O)[O-])c(Br)c3)C(=O)NC2=S)cc1 ZINC000100137563 554226929 /nfs/dbraw/zinc/22/69/29/554226929.db2.gz UUQCQCPDDFIDRZ-AWNIVKPZSA-N -1 1 554.216 3.815 50 10 KHCAMM CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(I)c1OCc1ccccc1Cl ZINC000100188042 554243296 /nfs/dbraw/zinc/24/32/96/554243296.db2.gz UUISMJQNHSIJMF-UHFFFAOYSA-N -1 1 542.782 3.837 50 10 KHCAMM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(I)c(O)c(I)c3)C2=O)c1 ZINC000100192357 554245160 /nfs/dbraw/zinc/24/51/60/554245160.db2.gz ZFYBZYVAQUXWLC-AWNIVKPZSA-N -1 1 588.139 3.885 50 10 KHCAMM O=C([O-])COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Br ZINC000100215957 554250353 /nfs/dbraw/zinc/25/03/53/554250353.db2.gz JIAZBVVUDPVDCP-WUXMJOGZSA-N -1 1 540.189 3.506 50 10 KHCAMM COc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCC(=O)[O-])c(Br)c3)C(=O)NC2=S)cc1 ZINC000100215981 554250401 /nfs/dbraw/zinc/25/04/01/554250401.db2.gz RLBLAWXLBCBBHM-AWNIVKPZSA-N -1 1 570.215 3.515 50 10 KHCAMM O=C([O-])COc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000100215992 554250347 /nfs/dbraw/zinc/25/03/47/554250347.db2.gz VEWCLEIZPLTUNU-LFYBBSHMSA-N -1 1 558.179 3.645 50 10 KHCAMM CN1C(=O)NC(=O)/C(=C\c2cc(Br)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C1=O ZINC000100216009 554250343 /nfs/dbraw/zinc/25/03/43/554250343.db2.gz JIDCYAGCYKRAHS-AWNIVKPZSA-N -1 1 538.148 3.580 50 10 KHCAMM CCOc1ccc(N2C(=O)/C(=C/c3cc(Br)c(OCC(=O)[O-])c(Br)c3)C(=O)NC2=S)cc1 ZINC000100241464 554260582 /nfs/dbraw/zinc/26/05/82/554260582.db2.gz SDZMQYJEBCOAMM-VGOFMYFVSA-N -1 1 584.242 3.905 50 10 KHCAMM CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000100276422 554273405 /nfs/dbraw/zinc/27/34/05/554273405.db2.gz FDJYZCPLHSDYFB-RGZVIEDOSA-N -1 1 519.373 3.531 50 10 KHCAMM CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000100276426 554273316 /nfs/dbraw/zinc/27/33/16/554273316.db2.gz FDJYZCPLHSDYFB-GFQQVXNGSA-N -1 1 519.373 3.531 50 10 KHCAMM CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000100648446 554436837 /nfs/dbraw/zinc/43/68/37/554436837.db2.gz IKGLJHATQXEMBU-GDNBJRDFSA-N -1 1 547.417 3.946 50 10 KHCAMM CN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(I)cc2)C(=O)[N-]C1=S ZINC000101724843 554832785 /nfs/dbraw/zinc/83/27/85/554832785.db2.gz JGJCEANUFUENEP-DHDCSXOGSA-N -1 1 557.207 3.889 50 10 KHCAMM COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(C(=O)NCCCN3CCN(c4ccc(OC)cc4)CC3)cc1)c2=O ZINC000102744849 555036132 /nfs/dbraw/zinc/03/61/32/555036132.db2.gz BYYCNMVNYRNUTD-UHFFFAOYSA-N -1 1 601.729 3.845 50 10 KHCAMM COc1ccc(N2CCN(CCCNC(=O)CCCCCn3c(=O)c4cc5c(cc4[n-]c3=S)OCO5)CC2)cc1 ZINC000102755172 555047115 /nfs/dbraw/zinc/04/71/15/555047115.db2.gz FLDDBTUVRIGCKQ-UHFFFAOYSA-N -1 1 567.712 3.685 50 10 KHCAMM COc1ccc(N2CCN(CCCNC(=O)c3ccc(Cn4c(=O)c5cc6c(cc5[n-]c4=S)OCO6)cc3)CC2)cc1 ZINC000102755310 555046948 /nfs/dbraw/zinc/04/69/48/555046948.db2.gz BGOMMSDURRIGNU-UHFFFAOYSA-N -1 1 587.702 3.787 50 10 KHCAMM COc1ccc(OC)c(C(=O)COC(=O)c2cc([N-]S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)ccc2O)c1 ZINC000102927001 555151661 /nfs/dbraw/zinc/15/16/61/555151661.db2.gz CGMANEZDRMOCCA-UHFFFAOYSA-N -1 1 550.929 3.812 50 10 KHCAMM Cc1cccc(N2C(=O)[C@@H]3[C@H](c4cc(Br)ccc4[O-])[NH2+][C@@](CC(C)C)(C(=O)[O-])[C@H]3C2=O)c1 ZINC000103001352 555201243 /nfs/dbraw/zinc/20/12/43/555201243.db2.gz LQZJSBDQWABBNS-CMCWBKRRSA-N -1 1 501.377 3.783 50 10 KHCAMM CSCC[C@]1(C(=O)[O-])[NH2+][C@H](c2cc(Br)ccc2[O-])[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 ZINC000103001388 555201227 /nfs/dbraw/zinc/20/12/27/555201227.db2.gz AYKAMQICLVRIND-FBAVSBLXSA-N -1 1 539.835 3.835 50 10 KHCAMM O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@H](c1cc3cccc4c3n(c1=O)CC4)CC(=O)O2 ZINC000108447501 571423755 /nfs/dbraw/zinc/42/37/55/571423755.db2.gz YTMNKIODANRXHW-HNNXBMFYSA-N -1 1 525.469 3.594 50 10 biogenic KHCAMM O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@@H](c1cc3cccc4c3n(c1=O)CC4)CC(=O)O2 ZINC000108447503 571423731 /nfs/dbraw/zinc/42/37/31/571423731.db2.gz YTMNKIODANRXHW-OAHLLOKOSA-N -1 1 525.469 3.594 50 10 biogenic KHCAMM COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc(OC)c1OC ZINC000108448076 571424045 /nfs/dbraw/zinc/42/40/45/571424045.db2.gz JTFABHZPGOHJJO-ZDUSSCGKSA-N -1 1 522.462 3.749 50 10 biogenic KHCAMM COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc(OC)c1OC ZINC000108448078 571424123 /nfs/dbraw/zinc/42/41/23/571424123.db2.gz JTFABHZPGOHJJO-CYBMUJFWSA-N -1 1 522.462 3.749 50 10 biogenic KHCAMM COc1ccc2occ([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c(O)c(-c6ccc(O)c(O)c6)oc-5c43)c(=O)c2c1 ZINC000108448433 571424204 /nfs/dbraw/zinc/42/42/04/571424204.db2.gz YWPNBVYHGDARNQ-ZDUSSCGKSA-N -1 1 530.441 3.838 50 10 biogenic KHCAMM COc1ccc2occ([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c(O)c(-c6ccc(O)c(O)c6)oc-5c43)c(=O)c2c1 ZINC000108448436 571424226 /nfs/dbraw/zinc/42/42/26/571424226.db2.gz YWPNBVYHGDARNQ-CYBMUJFWSA-N -1 1 530.441 3.838 50 10 biogenic KHCAMM COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc(OC)c1OC(C)=O ZINC000108448796 571424546 /nfs/dbraw/zinc/42/45/46/571424546.db2.gz VQYPTQQCROYUDX-AWEZNQCLSA-N -1 1 550.472 3.666 50 10 biogenic KHCAMM COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc(OC)c1OC(C)=O ZINC000108448800 571424476 /nfs/dbraw/zinc/42/44/76/571424476.db2.gz VQYPTQQCROYUDX-CQSZACIVSA-N -1 1 550.472 3.666 50 10 biogenic KHCAMM COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)c(OC)c1OC ZINC000108448819 571424533 /nfs/dbraw/zinc/42/45/33/571424533.db2.gz HUUDGLAACXYPLX-ZDUSSCGKSA-N -1 1 522.462 3.749 50 10 biogenic KHCAMM COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)c(OC)c1OC ZINC000108448822 571424598 /nfs/dbraw/zinc/42/45/98/571424598.db2.gz HUUDGLAACXYPLX-CYBMUJFWSA-N -1 1 522.462 3.749 50 10 biogenic KHCAMM COc1ccc2cc([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c(O)c(-c6ccc(O)c(O)c6)oc-5c43)c(=O)[nH]c2c1 ZINC000108449184 571424676 /nfs/dbraw/zinc/42/46/76/571424676.db2.gz RUZMTQRBARHHEU-AWEZNQCLSA-N -1 1 529.457 3.574 50 10 biogenic KHCAMM COc1ccc2cc([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c(O)c(-c6ccc(O)c(O)c6)oc-5c43)c(=O)[nH]c2c1 ZINC000108449187 571424729 /nfs/dbraw/zinc/42/47/29/571424729.db2.gz RUZMTQRBARHHEU-CQSZACIVSA-N -1 1 529.457 3.574 50 10 biogenic KHCAMM COc1ccc2cc([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c(O)c(-c6ccc(O)c(O)c6)oc-5c43)c(=O)n(C)c2c1 ZINC000108449962 571425044 /nfs/dbraw/zinc/42/50/44/571425044.db2.gz XIZNEEYQBYAPQL-HNNXBMFYSA-N -1 1 543.484 3.584 50 10 biogenic KHCAMM COc1ccc2cc([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c(O)c(-c6ccc(O)c(O)c6)oc-5c43)c(=O)n(C)c2c1 ZINC000108449965 571425020 /nfs/dbraw/zinc/42/50/20/571425020.db2.gz XIZNEEYQBYAPQL-OAHLLOKOSA-N -1 1 543.484 3.584 50 10 biogenic KHCAMM O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@H](c1cc3cccc4c3n(c1=O)CCC4)CC(=O)O2 ZINC000108450483 571425358 /nfs/dbraw/zinc/42/53/58/571425358.db2.gz HTHDUMNAOAYCPC-INIZCTEOSA-N -1 1 539.496 3.985 50 10 biogenic KHCAMM O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@@H](c1cc3cccc4c3n(c1=O)CCC4)CC(=O)O2 ZINC000108450485 571425286 /nfs/dbraw/zinc/42/52/86/571425286.db2.gz HTHDUMNAOAYCPC-MRXNPFEDSA-N -1 1 539.496 3.985 50 10 biogenic KHCAMM COc1cc(OC)c([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1OC ZINC000108450572 571425347 /nfs/dbraw/zinc/42/53/47/571425347.db2.gz IQGJGBPGVNLZCH-ZDUSSCGKSA-N -1 1 522.462 3.749 50 10 biogenic KHCAMM COc1cc(OC)c([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc1OC ZINC000108450574 571425342 /nfs/dbraw/zinc/42/53/42/571425342.db2.gz IQGJGBPGVNLZCH-CYBMUJFWSA-N -1 1 522.462 3.749 50 10 biogenic KHCAMM COc1cc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc2c1OCCO2 ZINC000108450925 571425517 /nfs/dbraw/zinc/42/55/17/571425517.db2.gz YLHHCCBVNKFBIW-ZDUSSCGKSA-N -1 1 520.446 3.503 50 10 biogenic KHCAMM COc1cc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])c(O)c(-c5ccc(O)c(O)c5)oc-4c32)cc2c1OCCO2 ZINC000108450928 571425548 /nfs/dbraw/zinc/42/55/48/571425548.db2.gz YLHHCCBVNKFBIW-CYBMUJFWSA-N -1 1 520.446 3.503 50 10 biogenic KHCAMM COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c(O)c(-c6ccc(O)c(O)c6)oc-5c43)cc2c1 ZINC000108451067 571425481 /nfs/dbraw/zinc/42/54/81/571425481.db2.gz AWDDWCMSVGWKLQ-AWEZNQCLSA-N -1 1 529.457 3.574 50 10 biogenic KHCAMM COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c(O)c(-c6ccc(O)c(O)c6)oc-5c43)cc2c1 ZINC000108451070 571425442 /nfs/dbraw/zinc/42/54/42/571425442.db2.gz AWDDWCMSVGWKLQ-CQSZACIVSA-N -1 1 529.457 3.574 50 10 biogenic KHCAMM CCOc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCC(=O)[O-])c(I)c3)C(=O)NC2=S)cc1 ZINC000150403029 571478474 /nfs/dbraw/zinc/47/84/74/571478474.db2.gz KZLVDMCFAMJUPS-VGOFMYFVSA-N -1 1 678.242 3.589 50 10 KHCAMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000150439366 571497415 /nfs/dbraw/zinc/49/74/15/571497415.db2.gz PVDUULJKXUQOTR-XQJRBFNUSA-N -1 1 668.351 3.937 50 10 KHCAMM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000150439374 571497342 /nfs/dbraw/zinc/49/73/42/571497342.db2.gz PVDUULJKXUQOTR-RZXXJPOTSA-N -1 1 668.351 3.937 50 10 KHCAMM CSCC[C@]1(C(=O)[O-])[NH2+][C@H](c2cc(Br)ccc2[O-])[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]21 ZINC000217517005 1066513902 /nfs/dbraw/zinc/51/39/02/1066513902.db2.gz AYKAMQICLVRIND-IDVKNYFZSA-N -1 1 539.835 3.835 50 10 KHCAMM O=C([O-])c1ccc([C@@H](CC(=O)N2CCOCC2)c2c(=O)c(O)c(O)c3c(O)cc(-c4ccccc4)oc2-3)cc1 ZINC000217786417 571602519 /nfs/dbraw/zinc/60/25/19/571602519.db2.gz JWRRCOMLFONYTK-LJQANCHMSA-N -1 1 531.517 3.656 50 10 KHCAMM O=C([O-])c1ccc([C@H](CC(=O)N2CCOCC2)c2c(=O)c(O)c(O)c3c(O)cc(-c4ccccc4)oc2-3)cc1 ZINC000217786518 1066514216 /nfs/dbraw/zinc/51/42/16/1066514216.db2.gz JWRRCOMLFONYTK-IBGZPJMESA-N -1 1 531.517 3.656 50 10 KHCAMM COc1ccc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])nc3ccccn3c2=O)c2ccccc12 ZINC000217802283 1066514382 /nfs/dbraw/zinc/51/43/82/1066514382.db2.gz SUYFJJUPIKZYCG-QFIPXVFZSA-N -1 1 525.561 3.854 50 10 KHCAMM COc1ccc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])nc3ccccn3c2=O)c2ccccc12 ZINC000217802363 1066514466 /nfs/dbraw/zinc/51/44/66/1066514466.db2.gz SUYFJJUPIKZYCG-JOCHJYFZSA-N -1 1 525.561 3.854 50 10 KHCAMM COc1ccc([C@@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])nc3ccccn3c2=O)c2ccccc12 ZINC000230465215 572186292 /nfs/dbraw/zinc/18/62/92/572186292.db2.gz ULPSGKSLVJBZFF-JOCHJYFZSA-N -1 1 525.561 3.854 50 10 KHCAMM COc1ccc([C@H](CC(=O)NCCc2ccc(O)c(O)c2)c2c([O-])nc3ccccn3c2=O)c2ccccc12 ZINC000230465254 572186434 /nfs/dbraw/zinc/18/64/34/572186434.db2.gz ULPSGKSLVJBZFF-QFIPXVFZSA-N -1 1 525.561 3.854 50 10 KHCAMM O=C(C[C@@H](c1ccc(OC(F)(F)F)cc1)c1c([O-])nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 ZINC000230485617 572186365 /nfs/dbraw/zinc/18/63/65/572186365.db2.gz MYCRYHRSFFVMPP-SFHVURJKSA-N -1 1 529.471 3.591 50 10 KHCAMM O=C(C[C@H](c1ccc(OC(F)(F)F)cc1)c1c([O-])nc2ccccn2c1=O)NCCc1ccc(O)c(O)c1 ZINC000230485659 572186345 /nfs/dbraw/zinc/18/63/45/572186345.db2.gz MYCRYHRSFFVMPP-GOSISDBHSA-N -1 1 529.471 3.591 50 10 KHCAMM CSCC[C@]1(C(=O)[O-])[NH2+][C@H](c2cc(Br)ccc2[O-])[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 ZINC000247489266 572242508 /nfs/dbraw/zinc/24/25/08/572242508.db2.gz AYKAMQICLVRIND-AYMMHLMVSA-N -1 1 539.835 3.835 50 10 KHCAMM CSCC[C@]1(C(=O)[O-])[NH2+][C@H](c2cc(Br)ccc2[O-])[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]21 ZINC000247489277 572242627 /nfs/dbraw/zinc/24/26/27/572242627.db2.gz AYKAMQICLVRIND-FOUBCARRSA-N -1 1 539.835 3.835 50 10 KHCAMM Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H](c2cc(Br)ccc2[O-])[NH2+][C@]3(CC(C)C)C(=O)[O-])c1 ZINC000248106437 572253797 /nfs/dbraw/zinc/25/37/97/572253797.db2.gz LQZJSBDQWABBNS-XHOYROJHSA-N -1 1 501.377 3.783 50 10 KHCAMM CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(I)c3[O-])c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000252672291 572277747 /nfs/dbraw/zinc/27/77/47/572277747.db2.gz PVDUULJKXUQOTR-NRFANRHFSA-N -1 1 668.351 3.937 50 10 KHCAMM CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)cc(I)c3[O-])c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000252672292 572277709 /nfs/dbraw/zinc/27/77/09/572277709.db2.gz PVDUULJKXUQOTR-OAQYLSRUSA-N -1 1 668.351 3.937 50 10 KHCAMM COC(=O)C[C@@H](c1ccc([O-])c(Cl)c1)c1oc(CN2CCN(c3ccc(OC)cc3)CC2)cc(=O)c1O ZINC000253412513 572287968 /nfs/dbraw/zinc/28/79/68/572287968.db2.gz RFTUDYTVYFBVEO-NRFANRHFSA-N -1 1 528.989 3.730 50 10 KHCAMM COC(=O)C[C@H](c1ccc([O-])c(Cl)c1)c1oc(CN2CCN(c3ccc(OC)cc3)CC2)cc(=O)c1O ZINC000253412514 572288001 /nfs/dbraw/zinc/28/80/01/572288001.db2.gz RFTUDYTVYFBVEO-OAQYLSRUSA-N -1 1 528.989 3.730 50 10 KHCAMM