smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc(/N=C/c2c3ccccc3cc3ccccc32)cc1O ZINC000000132711 206208521 /nfs/dbraw/zinc/20/85/21/206208521.db2.gz PNRNTTFWUOSIFJ-YDZHTSKRSA-N -1 0 341.366 5.147 40 30 EKEBRM [O-]c1c(Cl)cc(Br)cc1/C=N/c1ccc(Cl)cc1 ZINC000000226599 563263090 /nfs/dbraw/zinc/26/30/90/563263090.db2.gz XONFYHNMNPCVNI-REZTVBANSA-N -1 0 345.023 5.212 40 30 EKEBRM Cc1ccc2nc(/N=C/c3cc(Cl)cc(Cl)c3[O-])sc2c1 ZINC000000325733 209536996 /nfs/dbraw/zinc/53/69/96/209536996.db2.gz PRQQQHVMPBGJMT-CNHKJKLMSA-N -1 0 337.231 5.368 40 30 EKEBRM [O-]c1ccc(/N=C/c2cccc(Cl)c2)cc1-c1nc2ccccc2o1 ZINC000000353057 563996891 /nfs/dbraw/zinc/99/68/91/563996891.db2.gz GUWUNXXWEZRXMD-WSDLNYQXSA-N -1 0 348.789 5.604 40 30 EKEBRM CCCCCCCCCCCC(=O)C(=O)c1ccc(O)c(C)c1[O-] ZINC000001563292 563392009 /nfs/dbraw/zinc/39/20/09/563392009.db2.gz GHCLEDZEJACLAC-UHFFFAOYSA-N -1 0 334.456 5.079 40 30 EKEBRM CCCCCCCCCCCC(=O)c1c([O-])c2ccccc2oc1=O ZINC000001588879 519983198 /nfs/dbraw/zinc/98/31/98/519983198.db2.gz OTTOCAVLPLGCBR-UHFFFAOYSA-N -1 0 344.451 5.602 40 30 EKEBRM CCCCCCCCN(C)/N=N/c1ccc(Cl)cc1C(=O)[O-] ZINC000001731290 520032545 /nfs/dbraw/zinc/03/25/45/520032545.db2.gz UPTQBUMDQJGNOB-VHEBQXMUSA-N -1 0 325.840 5.329 40 30 EKEBRM CC(C)(C)c1ccc(C=Nn2c(=S)[n-]nc2C2CCCCC2)cc1 ZINC000002328562 563429407 /nfs/dbraw/zinc/42/94/07/563429407.db2.gz GBJYULADQNTVHK-MOSHPQCFSA-N -1 0 342.512 5.168 40 30 EKEBRM Cc1c(Cl)cc(/C=N/c2cccc3cccnc32)c([O-])c1Cl ZINC000003122962 563472694 /nfs/dbraw/zinc/47/26/94/563472694.db2.gz XUGANJCNWBHDOS-ZVBGSRNCSA-N -1 0 331.202 5.306 40 30 EKEBRM CC[C@@H](C)c1ccc(O)c(/N=C/c2cc(Cl)cc(Cl)c2[O-])c1 ZINC000003208157 564058447 /nfs/dbraw/zinc/05/84/47/564058447.db2.gz IHWUFPHTPBMTKJ-KTMXNEEYSA-N -1 0 338.234 5.669 40 30 EKEBRM CC[C@H](C)c1ccc(O)c(/N=C/c2cc(Cl)cc(Cl)c2[O-])c1 ZINC000003208161 564058451 /nfs/dbraw/zinc/05/84/51/564058451.db2.gz IHWUFPHTPBMTKJ-YPZZKDGISA-N -1 0 338.234 5.669 40 30 EKEBRM O=C1C(=O)C(CC[C@H]2CC[C@@H]3CCCC[C@@H]3C2)=C([O-])c2ccccc21 ZINC000004552444 564013865 /nfs/dbraw/zinc/01/38/65/564013865.db2.gz ZNPDNWVMVQPDRC-OWCLPIDISA-N -1 0 338.447 5.264 40 30 EKEBRM O=C1C(=O)C(CC[C@H]2CC[C@H]3CCCC[C@@H]3C2)=C([O-])c2ccccc21 ZINC000004552446 564013860 /nfs/dbraw/zinc/01/38/60/564013860.db2.gz ZNPDNWVMVQPDRC-BZUAXINKSA-N -1 0 338.447 5.264 40 30 EKEBRM C=CCCCCCCCCC/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)[O-] ZINC000004789587 518700253 /nfs/dbraw/zinc/70/02/53/518700253.db2.gz FTGSSDKQGRPRJC-OBGWFSINSA-N -1 0 345.439 5.760 40 30 EKEBRM O=C(/C(=C/c1cccc(Cl)c1)c1ccccc1)c1ccc(O)cc1 ZINC000004963814 210341752 /nfs/dbraw/zinc/34/17/52/210341752.db2.gz DRMUAKFZNBEHNS-XSFVSMFZSA-N -1 0 334.802 5.469 40 30 EKEBRM O=C(/C(=C\c1ccc(Cl)cc1)c1ccccc1)c1ccc(O)cc1 ZINC000004963817 210341399 /nfs/dbraw/zinc/34/13/99/210341399.db2.gz ACGIFXQJLCRIQL-ZHZULCJRSA-N -1 0 334.802 5.469 40 30 EKEBRM CCCCOc1cccc(/C=C/C(=O)c2ccc3ccccc3c2[O-])c1 ZINC000005246285 520898162 /nfs/dbraw/zinc/89/81/62/520898162.db2.gz FZDZCQRZVSQHGA-SDNWHVSQSA-N -1 0 346.426 5.620 40 30 EKEBRM CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(C2CCCCC2)cc1 ZINC000005417500 564032145 /nfs/dbraw/zinc/03/21/45/564032145.db2.gz LPCVPJOLWGARSZ-PXLXIMEGSA-N -1 0 336.435 5.269 40 30 EKEBRM Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2C)c(C)n1-c1cccc(C)c1 ZINC000005533097 564129743 /nfs/dbraw/zinc/12/97/43/564129743.db2.gz JWJSIJFOHWELAT-YDZHTSKRSA-N -1 0 346.430 5.160 40 30 EKEBRM [O-]c1ccc(/N=C/c2ccc(Cl)cc2)cc1-c1nc2ccccc2o1 ZINC000005605055 563542546 /nfs/dbraw/zinc/54/25/46/563542546.db2.gz NOCMYTADXRVALQ-WSDLNYQXSA-N -1 0 348.789 5.604 40 30 EKEBRM O=C(/C=C\c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1[O-] ZINC000005767136 563549714 /nfs/dbraw/zinc/54/97/14/563549714.db2.gz GAEMJKLKHLMWKN-PFONDFGASA-N -1 0 339.394 5.437 40 30 EKEBRM CC[C@@H](C)c1ccccc1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000005907524 564129786 /nfs/dbraw/zinc/12/97/86/564129786.db2.gz FMEJYDFSVLUJOT-VURRPDKYSA-N -1 0 332.787 5.218 40 30 EKEBRM CC[C@H](C)c1ccccc1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000005908041 564129783 /nfs/dbraw/zinc/12/97/83/564129783.db2.gz FMEJYDFSVLUJOT-VSMYLPJWSA-N -1 0 332.787 5.218 40 30 EKEBRM COc1ccc(CSC(=S)[N-]c2ccc(Cl)c(C)c2)cc1 ZINC000006484564 524121112 /nfs/dbraw/zinc/12/11/12/524121112.db2.gz GNHNADPJZSDUJY-UHFFFAOYSA-N -1 0 337.897 5.508 40 30 EKEBRM Cc1ccc([N-]C(=S)SCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000006488090 525966669 /nfs/dbraw/zinc/96/66/69/525966669.db2.gz ADVJZRJYLZAOAD-UHFFFAOYSA-N -1 0 332.450 5.062 40 30 EKEBRM Fc1ccc(CSC(=S)[N-]c2cccc(C(F)(F)F)c2)cc1 ZINC000006511569 526343345 /nfs/dbraw/zinc/34/33/45/526343345.db2.gz QAUOULMVMKORPX-UHFFFAOYSA-N -1 0 345.386 5.695 40 30 EKEBRM Fc1cccc([N-]C(=S)SCc2ccc(Cl)c(Cl)c2)c1 ZINC000006511663 526381885 /nfs/dbraw/zinc/38/18/85/526381885.db2.gz MTJROEWWKUVZSR-UHFFFAOYSA-N -1 0 346.279 5.983 40 30 EKEBRM Fc1ccc([N-]C(=S)SCc2ccc(Cl)cc2)c(F)c1 ZINC000006512360 526322644 /nfs/dbraw/zinc/32/26/44/526322644.db2.gz FCPMLRQSISMPEB-UHFFFAOYSA-N -1 0 329.824 5.469 40 30 EKEBRM O=[N+]([O-])c1cc([N-]C(=S)SCc2ccccc2)ccc1Cl ZINC000006575157 527325858 /nfs/dbraw/zinc/32/58/58/527325858.db2.gz DFPAIPVNMHZNBS-UHFFFAOYSA-N -1 0 338.841 5.099 40 30 EKEBRM CCCCCCCCCCCCCCCC(=O)N[C@@H](C)C(=O)[O-] ZINC000008689971 564105753 /nfs/dbraw/zinc/10/57/53/564105753.db2.gz NRBFOSKZAWRBJI-KRWDZBQOSA-N -1 0 327.509 5.057 40 30 EKEBRM CCCCCCCCCCCCCCCC(=O)N[C@H](C)C(=O)[O-] ZINC000008689972 563635749 /nfs/dbraw/zinc/63/57/49/563635749.db2.gz NRBFOSKZAWRBJI-QGZVFWFLSA-N -1 0 327.509 5.057 40 30 EKEBRM [O-]/N=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000011799853 564017933 /nfs/dbraw/zinc/01/79/33/564017933.db2.gz NTFCXGPQUDMJPU-UFFVCSGVSA-N -1 0 346.213 5.534 40 30 EKEBRM O=C(/C=C/c1c(Cl)cccc1Cl)c1ccc2ccccc2c1[O-] ZINC000012360343 211355636 /nfs/dbraw/zinc/35/56/36/211355636.db2.gz CEHKSVMKXCKXAY-ZHACJKMWSA-N -1 0 343.209 5.748 40 30 biogenic,in-vitro EKEBRM Cc1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)[n-]c(=O)c2C#N)cc1 ZINC000012461945 211388095 /nfs/dbraw/zinc/38/80/95/211388095.db2.gz CDMVYVCNWJHJGB-UHFFFAOYSA-N -1 0 342.442 5.187 40 30 EKEBRM Cc1cc(/C=N\c2ccc(C(=O)[O-])cc2)c(C)n1-c1ccc(C)c(C)c1 ZINC000015225835 564129861 /nfs/dbraw/zinc/12/98/61/564129861.db2.gz SPRNRAQRZSMTBG-QRVIBDJDSA-N -1 0 346.430 5.160 40 30 EKEBRM Cc1cc(/C=N\c2cccc(C(=O)[O-])c2)c(C)n1-c1ccc(C)c(C)c1 ZINC000015225837 564129863 /nfs/dbraw/zinc/12/98/63/564129863.db2.gz VGOVYMIITYCWLC-QRVIBDJDSA-N -1 0 346.430 5.160 40 30 EKEBRM [O-]c1c(Cl)cc(Cl)cc1/C=N/c1ccc(N2CCCCC2)cc1 ZINC000016428164 563810902 /nfs/dbraw/zinc/81/09/02/563810902.db2.gz QBUOJSFDZHAFFV-CIAFOILYSA-N -1 0 349.261 5.440 40 30 EKEBRM O=C([O-])c1ccccc1/C=C/C(=O)c1ccc(C2CCCCC2)cc1 ZINC000016448943 563811633 /nfs/dbraw/zinc/81/16/33/563811633.db2.gz ZPIKEWOTSRWJRD-CCEZHUSRSA-N -1 0 334.415 5.329 40 30 EKEBRM O=C(/C=C/c1c2ccccc2[nH]c1-c1ccccc1)c1ccccc1[O-] ZINC000016952672 563826845 /nfs/dbraw/zinc/82/68/45/563826845.db2.gz GAEMJKLKHLMWKN-CCEZHUSRSA-N -1 0 339.394 5.437 40 30 EKEBRM [O-]/N=C(\c1ccccc1)[C@@H](c1ccccc1)C(Cl)(Cl)Cl ZINC000016955369 563826834 /nfs/dbraw/zinc/82/68/34/563826834.db2.gz PUGNACWPMRGYOZ-DVDIPCOMSA-N -1 0 328.626 5.019 40 30 EKEBRM CC(=O)c1ccc(Cl)c(N=Cc2cc(Cl)cc(Cl)c2[O-])c1 ZINC000017128855 563837761 /nfs/dbraw/zinc/83/77/61/563837761.db2.gz RZCHRSXEBHTAPB-GXHLCREISA-N -1 0 342.609 5.306 40 30 EKEBRM O=C(/C=C\c1ccc(Cl)cc1Cl)c1cc(Cl)ccc1[O-] ZINC000017313779 563842686 /nfs/dbraw/zinc/84/26/86/563842686.db2.gz BKAQLPYRQWWKRT-DJWKRKHSSA-N -1 0 327.594 5.249 40 30 EKEBRM [O-]/N=C(\c1ccccc1)[C@H](c1ccccc1)C(Cl)(Cl)Cl ZINC000017721404 563845433 /nfs/dbraw/zinc/84/54/33/563845433.db2.gz PUGNACWPMRGYOZ-AZDDOORDSA-N -1 0 328.626 5.019 40 30 EKEBRM CCCCCCCCCC/C=C\CCCCCCCCCC(=O)[O-] ZINC000032788451 563914314 /nfs/dbraw/zinc/91/43/14/563914314.db2.gz KJDZDTDNIULJBE-QXMHVHEDSA-N -1 0 338.576 7.669 40 30 endogenous,in-man EKEBRM CCCCCCCCCCC/C=C/C(C)(C)/C=C\CCCC(=O)[O-] ZINC000033185488 519982358 /nfs/dbraw/zinc/98/23/58/519982358.db2.gz AGKRHAILCPYNFH-YZXPOQMXSA-N -1 0 336.560 7.301 40 30 EKEBRM CCCCCCCCCCC/C=C\C(C)(C)/C=C/CCCC(=O)[O-] ZINC000033185490 519982366 /nfs/dbraw/zinc/98/23/66/519982366.db2.gz AGKRHAILCPYNFH-HLSPZBSESA-N -1 0 336.560 7.301 40 30 EKEBRM CCCCCCCCCCC/C=C/C(C)(C)/C=C/CCCC(=O)[O-] ZINC000033185492 519981289 /nfs/dbraw/zinc/98/12/89/519981289.db2.gz AGKRHAILCPYNFH-VQZJLROISA-N -1 0 336.560 7.301 40 30 EKEBRM CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(C2CCCCC2)cc1 ZINC000033561114 564085885 /nfs/dbraw/zinc/08/58/85/564085885.db2.gz LPCVPJOLWGARSZ-JCMHNJIXSA-N -1 0 336.435 5.269 40 30 EKEBRM CCCCCCOc1ccc(/C=N/c2ccc(C(=O)[O-])cc2)cc1 ZINC000035586015 563920111 /nfs/dbraw/zinc/92/01/11/563920111.db2.gz OOLVUYRTDFJMQZ-RCCKNPSSSA-N -1 0 325.408 5.095 40 30 EKEBRM CCCCCOc1ccc(/N=C/c2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000035586020 563920099 /nfs/dbraw/zinc/92/00/99/563920099.db2.gz JZCMXWBIQFDVBL-KGENOOAVSA-N -1 0 325.408 5.013 40 30 EKEBRM CCCCCOc1ccc(/N=C/c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000035586023 520250800 /nfs/dbraw/zinc/25/08/00/520250800.db2.gz ARYJBSQCUJGCHI-FYJGNVAPSA-N -1 0 345.826 5.358 40 30 EKEBRM CCCCCCCC/C(=C\CCCCCCCC(=O)[O-])[N+](=O)[O-] ZINC000040331256 213291691 /nfs/dbraw/zinc/29/16/91/213291691.db2.gz WRADPCFZZWXOTI-BMRADRMJSA-N -1 0 327.465 5.713 40 30 in-vivo EKEBRM CCCCCCCC/C=C(\CCCCCCCC(=O)[O-])[N+](=O)[O-] ZINC000043021575 563925123 /nfs/dbraw/zinc/92/51/23/563925123.db2.gz CQOAKBVRRVHWKV-SAPNQHFASA-N -1 0 327.465 5.713 40 30 in-vivo EKEBRM CCCCCCCCCCCCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC000043411707 520011377 /nfs/dbraw/zinc/01/13/77/520011377.db2.gz ROHQNWKGFWNNJX-SAPNQHFASA-N -1 0 332.484 6.084 40 30 EKEBRM CCCCCC/C=C/CCCCCCCc1cccc(O)c1C(=O)[O-] ZINC000043649320 519945397 /nfs/dbraw/zinc/94/53/97/519945397.db2.gz YXHVCZZLWZYHSA-BQYQJAHWSA-N -1 0 346.511 6.500 40 30 endogenous,in-man EKEBRM CCCC=CC(=O)C=CC=CC/C=C\C/C=C\C/C=C\CCC(=O)[O-] ZINC000043898836 563926053 /nfs/dbraw/zinc/92/60/53/563926053.db2.gz QCEBQMMZCFADMF-SWDQBTSJSA-N -1 0 342.479 5.728 40 30 in-vitro EKEBRM CCCC=CC(=O)C=CC=CC/C=C\C/C=C\CCCCCC(=O)[O-] ZINC000043898839 563976259 /nfs/dbraw/zinc/97/62/59/563976259.db2.gz PWVSFTLICCBISU-SEQVKQOISA-N -1 0 344.495 5.952 40 30 in-vitro EKEBRM CCCCCCCCCCCCCCCCCC(=O)NCC(=O)[O-] ZINC000044086670 202518634 /nfs/dbraw/zinc/51/86/34/202518634.db2.gz UEYROBDNFIWNST-UHFFFAOYSA-N -1 0 341.536 5.449 40 30 endogenous,in-man EKEBRM CCCCCC/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@H]2C[C@@H]1N=N2 ZINC000049872119 202629101 /nfs/dbraw/zinc/62/91/01/202629101.db2.gz SRIZDZJPKIYUPZ-KQIWGXOSSA-N -1 0 332.488 5.553 40 30 in-vitro EKEBRM CCCCCC/C=C/[C@H]1[C@H]2C[C@H](N=N2)[C@@H]1C/C=C\CCCC(=O)[O-] ZINC000049872120 214034417 /nfs/dbraw/zinc/03/44/17/214034417.db2.gz SRIZDZJPKIYUPZ-IDUFWMFESA-N -1 0 332.488 5.553 40 30 in-vivo EKEBRM CCCCCCCc1ccc(CCc2cccc(O)c2C(=O)[O-])cc1 ZINC000058568747 563946805 /nfs/dbraw/zinc/94/68/05/563946805.db2.gz WBHQYBZRTAEHRR-UHFFFAOYSA-N -1 0 340.463 5.389 40 30 in-vitro EKEBRM CCCCCCCCCCC[C@H](CC(=O)[O-])OCc1ccccc1 ZINC000059034005 520018315 /nfs/dbraw/zinc/01/83/15/520018315.db2.gz NDCDVTWILZGAIG-HXUWFJFHSA-N -1 0 334.500 5.967 40 30 in-vitro EKEBRM CCc1ccccc1/N=C/c1ccc(-c2ccc(C)c(C(=O)[O-])c2)o1 ZINC000059104353 564050435 /nfs/dbraw/zinc/05/04/35/564050435.db2.gz FQLSGZVDOOBCSG-LPYMAVHISA-N -1 0 333.387 5.266 40 30 EKEBRM CCc1ccc(/N=C/c2ccc(-c3ccc(C)c(C(=O)[O-])c3)o2)cc1 ZINC000059104561 564050447 /nfs/dbraw/zinc/05/04/47/564050447.db2.gz FVZHNUPAXYXGMU-LPYMAVHISA-N -1 0 333.387 5.266 40 30 EKEBRM CCCCCCCC/C=C/CCCCCCCC(=O)NCC(=O)[O-] ZINC000059131983 563947760 /nfs/dbraw/zinc/94/77/60/563947760.db2.gz HPFXACZRFJDURI-MDZDMXLPSA-N -1 0 339.520 5.225 40 30 EKEBRM CCCCCCCCCCCCCCCCCCS(=O)(=O)[O-] ZINC000059173181 564177364 /nfs/dbraw/zinc/17/73/64/564177364.db2.gz CACRRXGTWZXOAU-UHFFFAOYSA-N -1 0 334.566 6.136 40 30 EKEBRM CC[C@@H](C)c1ccc(/N=C/c2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000059248351 257850470 /nfs/dbraw/zinc/85/04/70/257850470.db2.gz FMMVSQRUKXKXQS-SRRANQMSSA-N -1 0 345.826 5.068 40 30 EKEBRM CC[C@H](C)c1ccc(/N=C/c2ccc(OCC(=O)[O-])c(Cl)c2)cc1 ZINC000059248353 564050533 /nfs/dbraw/zinc/05/05/33/564050533.db2.gz FMMVSQRUKXKXQS-PUFAJPFRSA-N -1 0 345.826 5.068 40 30 EKEBRM Cc1cc(/C=N/c2cccc(C(=O)[O-])c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000059426922 257850560 /nfs/dbraw/zinc/85/05/60/257850560.db2.gz JTRSUZCJQPPJLH-YDZHTSKRSA-N -1 0 346.430 5.160 40 30 EKEBRM CCCCCCCCc1ccc(/N=N/c2ccc(C(=O)[O-])cc2)cc1 ZINC000059608558 563949145 /nfs/dbraw/zinc/94/91/45/563949145.db2.gz UPELUGQBCUWBTJ-GHVJWSGMSA-N -1 0 338.451 6.703 40 30 EKEBRM CCCCCCCCCCP(=O)([O-])CCCCCCCCCC ZINC000059617527 564161664 /nfs/dbraw/zinc/16/16/64/564161664.db2.gz HPGNDWLQFVMVSL-UHFFFAOYSA-N -1 0 346.536 7.538 40 30 EKEBRM CCCCCCCOc1ccc(/N=C/c2ccc(C(=O)[O-])cc2)cc1 ZINC000059663859 563949155 /nfs/dbraw/zinc/94/91/55/563949155.db2.gz OZMKBHSNAUDVKU-CJLVFECKSA-N -1 0 339.435 5.485 40 30 EKEBRM CCCCCCCOc1ccc(/C=N/c2ccc(C(=O)[O-])cc2)cc1 ZINC000059663897 214622773 /nfs/dbraw/zinc/62/27/73/214622773.db2.gz NPVHJKPYGZUIOB-CJLVFECKSA-N -1 0 339.435 5.485 40 30 EKEBRM CCCCCCCCCCCCCCCCCC[C@@H](O)C(=O)[O-] ZINC000059973919 564177750 /nfs/dbraw/zinc/17/77/50/564177750.db2.gz CPLYLXYEVLGWFJ-LJQANCHMSA-N -1 0 328.537 6.084 40 30 in-vitro EKEBRM CCCCCCCCCCCCCCCCCC[C@H](O)C(=O)[O-] ZINC000062238198 214706225 /nfs/dbraw/zinc/70/62/25/214706225.db2.gz CPLYLXYEVLGWFJ-IBGZPJMESA-N -1 0 328.537 6.084 40 30 in-vitro EKEBRM C=C(CCCC(=O)[O-])CC[C@@H](O)/C=C/C=C\C/C=C\C/C=C\CC ZINC000064858153 564066656 /nfs/dbraw/zinc/06/66/56/564066656.db2.gz SVVBMULSPOMBPY-NNBVGBCESA-N -1 0 332.484 5.354 40 30 in-vitro EKEBRM C=C(CCCC(=O)[O-])CC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CC ZINC000064858156 214810701 /nfs/dbraw/zinc/81/07/01/214810701.db2.gz SVVBMULSPOMBPY-TXXRZKMJSA-N -1 0 332.484 5.354 40 30 in-vitro EKEBRM CCCCCCCCCCCCc1ccc(C(=O)/C=C/C(=O)[O-])cc1 ZINC000072177943 216066663 /nfs/dbraw/zinc/06/66/63/216066663.db2.gz APVXBFBAVQYGRD-ISLYRVAYSA-N -1 0 344.495 5.974 40 30 EKEBRM CCCCCCCCC#CCCCCCCCCCCCC(=O)[O-] ZINC000078102507 217022080 /nfs/dbraw/zinc/02/20/80/217022080.db2.gz VUXNZDYAHSFXBM-UHFFFAOYSA-N -1 0 336.560 7.116 40 30 EKEBRM CCCCCCCCCC(Cl)(Cl)C(Cl)(Cl)C(=O)[O-] ZINC000078419432 564061959 /nfs/dbraw/zinc/06/19/59/564061959.db2.gz JILPCIXJKWDUQD-UHFFFAOYSA-N -1 0 338.102 5.560 40 30 EKEBRM CCCCCCCCCCCCCCCC[C@H](NC(C)=O)C(=O)[O-] ZINC000078846896 217134054 /nfs/dbraw/zinc/13/40/54/217134054.db2.gz CWDGHGHIHCDSCH-IBGZPJMESA-N -1 0 341.536 5.447 40 30 EKEBRM CCCCCCCCCCCCCCCC[C@@H](NC(C)=O)C(=O)[O-] ZINC000078846898 217134152 /nfs/dbraw/zinc/13/41/52/217134152.db2.gz CWDGHGHIHCDSCH-LJQANCHMSA-N -1 0 341.536 5.447 40 30 EKEBRM CCCCCCCCCCCCCCCc1ccc(O)cc1C(=O)[O-] ZINC000085340904 563973773 /nfs/dbraw/zinc/97/37/73/563973773.db2.gz NHKCGHLAYLEGBD-UHFFFAOYSA-N -1 0 348.527 6.724 40 30 biogenic,in-vitro EKEBRM CCCC=CC(=O)C=CC=CC/C=C\C/C=C\C/C=C\CCC(=O)[O-] ZINC000095644666 564141797 /nfs/dbraw/zinc/14/17/97/564141797.db2.gz QCEBQMMZCFADMF-VIIQGJSXSA-N -1 0 342.479 5.728 40 30 in-vitro EKEBRM CCCCCCCCCCCCCc1ccc(S(=O)(=O)[O-])cc1 ZINC000095669520 257914290 /nfs/dbraw/zinc/91/42/90/257914290.db2.gz ANZWOARUBDXLMN-UHFFFAOYSA-N -1 0 340.529 5.787 40 30 EKEBRM C=C(C)C(C)(C)CC(=O)c1cn(CCCCC(=O)[O-])c2ccccc12 ZINC000095726751 564141832 /nfs/dbraw/zinc/14/18/32/564141832.db2.gz HPKJJMLBDDTMFT-UHFFFAOYSA-N -1 0 341.451 5.071 40 30 in-vitro EKEBRM CCCCCCCCCCCCCCCc1ccc(C(=O)[O-])c(O)c1 ZINC000100000925 520005843 /nfs/dbraw/zinc/00/58/43/520005843.db2.gz ZCPCQTFJJJQCGQ-UHFFFAOYSA-N -1 0 348.527 6.724 40 30 EKEBRM C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C([O-])C=C(CCCCC)C(=O)C1=O ZINC000100015426 563982284 /nfs/dbraw/zinc/98/22/84/563982284.db2.gz WDXXEUARVHTWQF-DLBZAZTESA-N -1 0 328.452 5.006 40 30 in-vitro EKEBRM Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116740 206219574 /nfs/dbraw/zinc/21/95/74/206219574.db2.gz DZNGGIZLJGBEPO-YDZHTSKRSA-N -1 0 346.430 5.160 40 30 EKEBRM CCCCCCCCCCC(CCCCCCCCCC)C(=O)[O-] ZINC000100141398 563982373 /nfs/dbraw/zinc/98/23/73/563982373.db2.gz QSRHBXMVAHNFKV-UHFFFAOYSA-N -1 0 340.592 7.749 40 30 EKEBRM CCCCCCCCCCCCCCCCNC(=O)/C=C\C(=O)[O-] ZINC000100167146 219093035 /nfs/dbraw/zinc/09/30/35/219093035.db2.gz BBTWPENPOIZEIL-MSUUIHNZSA-N -1 0 339.520 5.225 40 30 EKEBRM CC(C)(C)[C@H]1CC[C@H](CC2=C([O-])c3ccccc3C(=O)C2=O)CC1 ZINC000100233123 219095243 /nfs/dbraw/zinc/09/52/43/219095243.db2.gz KLLIVCPQDTYMLC-OKILXGFUSA-N -1 0 326.436 5.120 40 30 in-man EKEBRM CCCCCCCCC[C@@H](CCCCCCCC(=O)[O-])NC(C)=O ZINC000100300759 219095936 /nfs/dbraw/zinc/09/59/36/219095936.db2.gz NLAPEXVETAZGOQ-IBGZPJMESA-N -1 0 341.536 5.447 40 30 EKEBRM CCCCCCCCC[C@H](CCCCCCCC(=O)[O-])NC(C)=O ZINC000100300760 203993111 /nfs/dbraw/zinc/99/31/11/203993111.db2.gz NLAPEXVETAZGOQ-LJQANCHMSA-N -1 0 341.536 5.447 40 30 EKEBRM CCCCCCCCC[C@@H](CCCCCCCC(=O)[O-])OC(C)C ZINC000100300775 219095999 /nfs/dbraw/zinc/09/59/99/219095999.db2.gz PXGFSFTWBGIYOM-FQEVSTJZSA-N -1 0 342.564 6.736 40 30 EKEBRM CCCCCCCCC[C@H](CCCCCCCC(=O)[O-])OC(C)C ZINC000100300777 219095979 /nfs/dbraw/zinc/09/59/79/219095979.db2.gz PXGFSFTWBGIYOM-HXUWFJFHSA-N -1 0 342.564 6.736 40 30 EKEBRM CCCCCCCCCC[C@@H](CCCCCCC(=O)[O-])NC(C)=O ZINC000100301891 219095750 /nfs/dbraw/zinc/09/57/50/219095750.db2.gz HOCXAEJKLQEEOU-IBGZPJMESA-N -1 0 341.536 5.447 40 30 EKEBRM CCCCCCCCCC[C@H](CCCCCCC(=O)[O-])NC(C)=O ZINC000100301893 219096111 /nfs/dbraw/zinc/09/61/11/219096111.db2.gz HOCXAEJKLQEEOU-LJQANCHMSA-N -1 0 341.536 5.447 40 30 EKEBRM CCCCCCCCCCCCCC[C@]1(C(=O)[O-])CCOC1=O ZINC000100305571 563982502 /nfs/dbraw/zinc/98/25/02/563982502.db2.gz RLHURWOUQQIVPI-LJQANCHMSA-N -1 0 326.477 5.096 40 30 EKEBRM CCCCCCCCCCCCCC[C@@]1(C(=O)[O-])CCOC1=O ZINC000100305576 520008124 /nfs/dbraw/zinc/00/81/24/520008124.db2.gz RLHURWOUQQIVPI-IBGZPJMESA-N -1 0 326.477 5.096 40 30 EKEBRM CCCCCCOc1ccc(/N=C/c2ccc(C(=O)[O-])cc2)cc1 ZINC000100314673 563982538 /nfs/dbraw/zinc/98/25/38/563982538.db2.gz HHLOWLJPBRFFKM-RCCKNPSSSA-N -1 0 325.408 5.095 40 30 EKEBRM CCCCCCCCCCCC([O-])=C1C(=O)C[C@@H](CCC)OC1=O ZINC000100393267 563982586 /nfs/dbraw/zinc/98/25/86/563982586.db2.gz VIEQPAAMSLJMCL-MRXNPFEDSA-N -1 0 338.488 5.404 40 30 biogenic,in-vitro EKEBRM CCCCCCCCCCCC(=O)N(C)CCCCCC(=O)[O-] ZINC000100921890 563982808 /nfs/dbraw/zinc/98/28/08/563982808.db2.gz VHTDUEDNSRQHMJ-UHFFFAOYSA-N -1 0 327.509 5.011 40 30 EKEBRM CCCCCCCCCCCCc1ccc(C(=N\[O-])/C(C)=N/O)cc1 ZINC000100931335 219111586 /nfs/dbraw/zinc/11/15/86/219111586.db2.gz ZXXBSRWHCLUSII-AECZSIAKSA-N -1 0 346.515 6.178 40 30 EKEBRM CCCCCCCCCCC(=N\O)/C(=N/[O-])c1ccc(CC)cc1 ZINC000100931337 563982820 /nfs/dbraw/zinc/98/28/20/563982820.db2.gz KQZCZJWORAAJDG-FLFKKZLDSA-N -1 0 332.488 5.788 40 30 EKEBRM CCCCCCCCCCCCc1ccc(C(/C=N/O)=N\[O-])cc1 ZINC000100932723 563982859 /nfs/dbraw/zinc/98/28/59/563982859.db2.gz TYIPFLYTYFSKIK-BYVORTCQSA-N -1 0 332.488 5.788 40 30 EKEBRM [O-]c1c(Cl)cc(Cl)cc1/C=N\c1ccc(N2CCCCC2)cc1 ZINC000100933812 219111569 /nfs/dbraw/zinc/11/15/69/219111569.db2.gz QBUOJSFDZHAFFV-MTJSOVHGSA-N -1 0 349.261 5.440 40 30 EKEBRM CCCCCCCCCCC/C(=N/O)c1cccc(Cl)c1[O-] ZINC000100933914 563982830 /nfs/dbraw/zinc/98/28/30/563982830.db2.gz BKEVBJUTFBVCAI-JZJYNLBNSA-N -1 0 325.880 6.145 40 30 EKEBRM CCCCCCCCc1ccc(/N=C/c2ccc(C(=O)[O-])cc2)cc1 ZINC000103014002 219248774 /nfs/dbraw/zinc/24/87/74/219248774.db2.gz PJAZPEWMTGFSLM-HAVVHWLPSA-N -1 0 337.463 6.038 40 30 EKEBRM [O-]/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000103860081 564013734 /nfs/dbraw/zinc/01/37/34/564013734.db2.gz GVAHXZCYJUBKIJ-CNHKJKLMSA-N -1 0 330.598 5.034 40 30 EKEBRM [O-]/N=C(/c1ccccc1)[C@H](c1ccccc1)C(Cl)(Cl)Cl ZINC000104132278 204097253 /nfs/dbraw/zinc/09/72/53/204097253.db2.gz PUGNACWPMRGYOZ-ISNHLSKGSA-N -1 0 328.626 5.019 40 30 EKEBRM CCCCCCCCN(C)/N=N\c1ccc(Cl)cc1C(=O)[O-] ZINC000104154947 520033855 /nfs/dbraw/zinc/03/38/55/520033855.db2.gz UPTQBUMDQJGNOB-HNENSFHCSA-N -1 0 325.840 5.329 40 30 EKEBRM CCCCCCCCCCCCCCCCCc1n[n-]c(=S)o1 ZINC000104204643 563983533 /nfs/dbraw/zinc/98/35/33/563983533.db2.gz VYELQOVVWRJRHQ-UHFFFAOYSA-N -1 0 340.577 7.146 40 30 EKEBRM Cc1c(Cl)cc(/C=N\c2cccc3cccnc32)c([O-])c1Cl ZINC000104212356 204101337 /nfs/dbraw/zinc/10/13/37/204101337.db2.gz XUGANJCNWBHDOS-NKVSQWTQSA-N -1 0 331.202 5.306 40 30 EKEBRM Oc1ccccc1/C=N\c1ccc2c(ccc3c4ccccc4ccc23)c1 ZINC000104220493 219362304 /nfs/dbraw/zinc/36/23/04/219362304.db2.gz KAPIDDRGFDXDOV-QQXSKIMKSA-N -1 0 347.417 6.602 40 30 EKEBRM CCCCCCCCCCCCc1ccc(C(=O)/C=C\C(=O)[O-])cc1 ZINC000104343083 219376676 /nfs/dbraw/zinc/37/66/76/219376676.db2.gz APVXBFBAVQYGRD-ZCXUNETKSA-N -1 0 344.495 5.974 40 30 EKEBRM CC(C)(C)[C@H]1CC[C@@H](CC2=C([O-])c3ccccc3C(=O)C2=O)CC1 ZINC000169287877 564091930 /nfs/dbraw/zinc/09/19/30/564091930.db2.gz KLLIVCPQDTYMLC-HDJSIYSDSA-N -1 0 326.436 5.120 40 30 EKEBRM C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(O)cc3)cc21 ZINC000198083938 241035751 /nfs/dbraw/zinc/03/57/51/241035751.db2.gz VYSJSSMGOKNOLJ-UMYHVIPVSA-N -1 0 342.870 5.518 40 30 EKEBRM C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/c3ccc(O)cc3)cc21 ZINC000198083947 241036158 /nfs/dbraw/zinc/03/61/58/241036158.db2.gz VYSJSSMGOKNOLJ-AEOXGOBCSA-N -1 0 342.870 5.518 40 30 EKEBRM S=c1[n-]nc(C2CCCCC2)n1N=Cc1cccc2ccccc12 ZINC000254382275 564132249 /nfs/dbraw/zinc/13/22/49/564132249.db2.gz WTNOMLFKTQRQHC-UHFFFAOYSA-N -1 0 336.464 5.024 40 30 EKEBRM [O-]c1c(Cl)cc(Cl)cc1C=Nc1ccc(N2CCCCC2)cc1 ZINC000254558902 564132283 /nfs/dbraw/zinc/13/22/83/564132283.db2.gz QBUOJSFDZHAFFV-UHFFFAOYSA-N -1 0 349.261 5.440 40 30 EKEBRM CCCCCCCCOc1c(Cl)cc(C(=O)[O-])cc1OCC ZINC000408539007 257897487 /nfs/dbraw/zinc/89/74/87/257897487.db2.gz DJDDSDMQCGAUDF-UHFFFAOYSA-N -1 0 328.836 5.176 40 30 EKEBRM Cc1cc(/C=N/c2ccc(Cl)c([O-])c2)c(C)n1-c1ccc(F)cc1 ZINC000408738114 563871380 /nfs/dbraw/zinc/87/13/80/563871380.db2.gz OQLFORZSVMWMHJ-SSDVNMTOSA-N -1 0 342.801 5.343 40 30 EKEBRM Cc1cc(/C=N/c2ccc(Cl)c([O-])c2)c(C)n1-c1ccc(C)cc1 ZINC000408739687 563872537 /nfs/dbraw/zinc/87/25/37/563872537.db2.gz ZLKMZXDYJSPSQK-WSDLNYQXSA-N -1 0 338.838 5.512 40 30 EKEBRM Cc1cc(/C=N/c2ccccc2[S-])c(C)n1-c1cccc(Cl)c1 ZINC000408753283 257889266 /nfs/dbraw/zinc/88/92/66/257889266.db2.gz GCZDJPRRVYHQOB-CIAFOILYSA-N -1 0 340.879 5.787 40 30 EKEBRM Cc1cc(/C=N\c2cc(C(=O)[O-])ccc2C)c(C)n1-c1cccc(C)c1 ZINC000408758672 257888908 /nfs/dbraw/zinc/88/89/08/257888908.db2.gz OWYKKPXKNZGOBV-QRVIBDJDSA-N -1 0 346.430 5.160 40 30 EKEBRM CCc1ccc(-n2c(C)cc(/C=N/c3ccccc3[S-])c2C)cc1 ZINC000408759693 563996533 /nfs/dbraw/zinc/99/65/33/563996533.db2.gz JUOQJDPMGMKABS-HYARGMPZSA-N -1 0 334.488 5.696 40 30 EKEBRM Cc1cc(/C=N/c2cccc(C(=O)[O-])c2C)c(C)n1-c1cccc(C)c1 ZINC000408763795 563877940 /nfs/dbraw/zinc/87/79/40/563877940.db2.gz UWCMRMLAARNPLH-YDZHTSKRSA-N -1 0 346.430 5.160 40 30 EKEBRM Cc1cc(/C=N/c2ccccc2[S-])c(C)n1-c1ccc(Cl)cc1 ZINC000408768210 564007154 /nfs/dbraw/zinc/00/71/54/564007154.db2.gz CVMMBKJIXKYWLW-CIAFOILYSA-N -1 0 340.879 5.787 40 30 EKEBRM Cc1ccc(C)c(/N=C\c2ccc(-c3ccc(C)c(C(=O)[O-])c3)o2)c1 ZINC000408847376 564007553 /nfs/dbraw/zinc/00/75/53/564007553.db2.gz UOMQGUZAIMENHK-UUYOSTAYSA-N -1 0 333.387 5.321 40 30 EKEBRM Cc1ccc(/N=C/c2ccc(-c3ccc(C)c(C(=O)[O-])c3)o2)cc1C ZINC000408851854 564007556 /nfs/dbraw/zinc/00/75/56/564007556.db2.gz ASSKKCFHLXVQRS-WSDLNYQXSA-N -1 0 333.387 5.321 40 30 EKEBRM Cc1ccc(/N=C\c2ccc(-c3ccc(C)c(C(=O)[O-])c3)o2)c(C)c1 ZINC000408855953 563901700 /nfs/dbraw/zinc/90/17/00/563901700.db2.gz IDNMNHGAFWHZCN-UUYOSTAYSA-N -1 0 333.387 5.321 40 30 EKEBRM Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1c(C)cccc1C ZINC000408910936 564007999 /nfs/dbraw/zinc/00/79/99/564007999.db2.gz MCDPGUBHLWRJNW-YDZHTSKRSA-N -1 0 346.430 5.160 40 30 EKEBRM Cc1cc(/C=N/c2ccc(C)cc2)c(C)n1-c1ccc(C(=O)[O-])cc1C ZINC000408912405 564007952 /nfs/dbraw/zinc/00/79/52/564007952.db2.gz FSZDFBZAZPADES-YDZHTSKRSA-N -1 0 346.430 5.160 40 30 EKEBRM Cc1ccc(Cl)cc1-c1ccc(/C=N/c2ccc(C(=O)[O-])cc2)o1 ZINC000408912479 563910019 /nfs/dbraw/zinc/91/00/19/563910019.db2.gz GTTIRNFAMPMAEM-SRZZPIQSSA-N -1 0 339.778 5.357 40 30 EKEBRM Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1cccc(C)c1C ZINC000408913513 564007987 /nfs/dbraw/zinc/00/79/87/564007987.db2.gz VIAJMEMNFZGIRF-YDZHTSKRSA-N -1 0 346.430 5.160 40 30 EKEBRM Cc1cc(/C=N/c2ccc(C(=O)[O-])cc2)c(C)n1-c1cc(C)ccc1C ZINC000408915122 564008011 /nfs/dbraw/zinc/00/80/11/564008011.db2.gz UYXKXXDGIQZORK-YDZHTSKRSA-N -1 0 346.430 5.160 40 30 EKEBRM O=C([O-])c1ccc(-n2cccc2/C=N\c2ccc3ccccc3c2)cc1 ZINC000408931460 564008120 /nfs/dbraw/zinc/00/81/20/564008120.db2.gz LXUFRJDVEJERDO-HAHDFKILSA-N -1 0 340.382 5.079 40 30 EKEBRM CC(C)(C)c1ccc(/N=C\c2cccn2-c2ccc(C(=O)[O-])cc2)cc1 ZINC000408933004 564008107 /nfs/dbraw/zinc/00/81/07/564008107.db2.gz GMRFKJFSQNOIJH-HAHDFKILSA-N -1 0 346.430 5.224 40 30 EKEBRM O=C([O-])c1ccc(-n2cccc2/C=N/c2cccc3ccccc32)cc1 ZINC000408937340 564008174 /nfs/dbraw/zinc/00/81/74/564008174.db2.gz QJVUDJRKOFHSCA-HZHRSRAPSA-N -1 0 340.382 5.079 40 30 EKEBRM CCCCc1ccc(/N=C/c2cccn2-c2ccc(C(=O)[O-])cc2)cc1 ZINC000408940461 564008189 /nfs/dbraw/zinc/00/81/89/564008189.db2.gz UQKKPDNOJJUNTE-XQNSMLJCSA-N -1 0 346.430 5.269 40 30 EKEBRM CCOc1ccccc1/N=C\c1ccc(-c2ccc(C(=O)[O-])cc2C)o1 ZINC000408959838 257885550 /nfs/dbraw/zinc/88/55/50/257885550.db2.gz GQXJGGFEWSNOIL-XKZIYDEJSA-N -1 0 349.386 5.103 40 30 EKEBRM Cc1ccccc1/N=C\c1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408959846 257885374 /nfs/dbraw/zinc/88/53/74/257885374.db2.gz GVCFJWZZGQLLKT-UCQKPKSFSA-N -1 0 345.398 5.023 40 30 EKEBRM CCOc1cccc(/N=C\c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)c1 ZINC000408960119 564008295 /nfs/dbraw/zinc/00/82/95/564008295.db2.gz CAEIIOATLUWQDJ-XKZIYDEJSA-N -1 0 349.386 5.103 40 30 EKEBRM Cc1ccc(/N=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1C ZINC000408960532 564008332 /nfs/dbraw/zinc/00/83/32/564008332.db2.gz GPOCOOIJOXATIW-WSDLNYQXSA-N -1 0 333.387 5.321 40 30 EKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N\c2ccccc2Cl)o1 ZINC000408960971 257885623 /nfs/dbraw/zinc/88/56/23/257885623.db2.gz KNNYPHHWRGOQTO-NHDPSOOVSA-N -1 0 339.778 5.357 40 30 EKEBRM CCc1ccc(/N=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)cc1 ZINC000408960991 257885491 /nfs/dbraw/zinc/88/54/91/257885491.db2.gz KUCVRGYXOUZYMH-LPYMAVHISA-N -1 0 333.387 5.266 40 30 EKEBRM Cc1ccc(/N=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)cc1 ZINC000408961357 564008303 /nfs/dbraw/zinc/00/83/03/564008303.db2.gz RYJJGGKIOJEFAS-OEAKJJBVSA-N -1 0 345.398 5.023 40 30 EKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/c2cccc(Cl)c2)o1 ZINC000408961841 564008357 /nfs/dbraw/zinc/00/83/57/564008357.db2.gz OLQJZYCVHWXKTM-SRZZPIQSSA-N -1 0 339.778 5.357 40 30 EKEBRM Cc1ccc(C)c(/N=C\c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)c1 ZINC000408961859 563916263 /nfs/dbraw/zinc/91/62/63/563916263.db2.gz OSLUZYDMMUHOOO-UUYOSTAYSA-N -1 0 333.387 5.321 40 30 EKEBRM Cc1cccc(/N=C\c2ccccc2OCc2ccc(C(=O)[O-])cc2)c1 ZINC000408962260 563916141 /nfs/dbraw/zinc/91/61/41/563916141.db2.gz XSBDKPKICBKRRK-UCQKPKSFSA-N -1 0 345.398 5.023 40 30 EKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N\c2ccc(Cl)cc2)o1 ZINC000408962407 564008347 /nfs/dbraw/zinc/00/83/47/564008347.db2.gz RMTYWLWPJRYWSK-NHDPSOOVSA-N -1 0 339.778 5.357 40 30 EKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/c2ccc(C(C)C)cc2)o1 ZINC000408962758 563916143 /nfs/dbraw/zinc/91/61/43/563916143.db2.gz UOMKQRWMBQBWCW-YDZHTSKRSA-N -1 0 347.414 5.827 40 30 EKEBRM CCc1ccccc1/N=C/c1ccc(-c2ccc(C(=O)[O-])cc2C)o1 ZINC000408962903 564008365 /nfs/dbraw/zinc/00/83/65/564008365.db2.gz VWAWQTHMWLIJBC-LPYMAVHISA-N -1 0 333.387 5.266 40 30 EKEBRM Cc1ccc(/N=C\c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)c(C)c1 ZINC000408962904 564008344 /nfs/dbraw/zinc/00/83/44/564008344.db2.gz VWBRKDXLSVXLOI-UUYOSTAYSA-N -1 0 333.387 5.321 40 30 EKEBRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/c2ccccc2C(C)C)o1 ZINC000408963238 563916568 /nfs/dbraw/zinc/91/65/68/563916568.db2.gz YFMJVQHNHOPCGB-YDZHTSKRSA-N -1 0 347.414 5.827 40 30 EKEBRM Cc1cc(/N=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)ccc1F ZINC000408963319 564008361 /nfs/dbraw/zinc/00/83/61/564008361.db2.gz ZDLRYVHOKBTRKO-SSDVNMTOSA-N -1 0 337.350 5.151 40 30 EKEBRM CCc1ccccc1-n1c(C)cc(/C=N/c2cccc(C(=O)[O-])c2)c1C ZINC000408963835 257885359 /nfs/dbraw/zinc/88/53/59/257885359.db2.gz AYXMXUFWOGKZLE-OEAKJJBVSA-N -1 0 346.430 5.105 40 30 EKEBRM O=C([O-])c1cc(/N=C\c2ccc(-c3cccc(F)c3)o2)ccc1Cl ZINC000409012624 564008917 /nfs/dbraw/zinc/00/89/17/564008917.db2.gz QZJFWZGDLQXSRJ-FBHDLOMBSA-N -1 0 343.741 5.188 40 30 EKEBRM O=C([O-])c1ccc(Cl)c(/N=C/c2ccc(-c3cccc(F)c3)o2)c1 ZINC000409013164 564008910 /nfs/dbraw/zinc/00/89/10/564008910.db2.gz LTZBRJMEOVVODD-UFFVCSGVSA-N -1 0 343.741 5.188 40 30 EKEBRM CC[C@@H](C)Oc1ccc(/C=N/c2cccc(C(=O)[O-])c2C)cc1Cl ZINC000409019588 563932500 /nfs/dbraw/zinc/93/25/00/563932500.db2.gz JWNDRGCAZZHPJY-KIHMUJGBSA-N -1 0 345.826 5.275 40 30 EKEBRM CC[C@H](C)Oc1ccc(/C=N/c2cccc(C(=O)[O-])c2C)cc1Cl ZINC000409019591 564009036 /nfs/dbraw/zinc/00/90/36/564009036.db2.gz JWNDRGCAZZHPJY-OVMKCGGTSA-N -1 0 345.826 5.275 40 30 EKEBRM Cc1ccccc1Oc1ccc(/N=C/c2cccc([N+](=O)[O-])c2[O-])cc1 ZINC000409075315 564009398 /nfs/dbraw/zinc/00/93/98/564009398.db2.gz QRWMDVQLLBFSMZ-FYJGNVAPSA-N -1 0 348.358 5.152 40 30 EKEBRM Cc1ccc(Oc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])cc2)cc1 ZINC000409087796 564009659 /nfs/dbraw/zinc/00/96/59/564009659.db2.gz KABLFJVAJNFCOJ-FYJGNVAPSA-N -1 0 348.358 5.152 40 30 EKEBRM CC(C)c1ccc(/N=C/c2cccn2-c2cccc(C(=O)[O-])c2)cc1 ZINC000409094960 563947622 /nfs/dbraw/zinc/94/76/22/563947622.db2.gz GPOSUAWMQZHZOM-HYARGMPZSA-N -1 0 332.403 5.050 40 30 EKEBRM Cc1ccc(Oc2ccc(/N=C/c3cccc([N+](=O)[O-])c3[O-])cc2)cc1 ZINC000409096037 564009834 /nfs/dbraw/zinc/00/98/34/564009834.db2.gz JKVJJBQLGDZUGS-FYJGNVAPSA-N -1 0 348.358 5.152 40 30 EKEBRM Cc1ccccc1Oc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000409097740 563947742 /nfs/dbraw/zinc/94/77/42/563947742.db2.gz NYFWXQPBKPURJA-FYJGNVAPSA-N -1 0 348.358 5.152 40 30 EKEBRM CC(C)(C)c1ccc(/N=C\c2cccn2-c2cccc(C(=O)[O-])c2)cc1 ZINC000409103160 563947861 /nfs/dbraw/zinc/94/78/61/563947861.db2.gz BEOWETAKFVRVCP-HAHDFKILSA-N -1 0 346.430 5.224 40 30 EKEBRM O=C([O-])c1cccc(-n2cccc2/C=N\c2ccc3ccccc3c2)c1 ZINC000409104719 564009811 /nfs/dbraw/zinc/00/98/11/564009811.db2.gz HORJKJCLSZHVNO-HAHDFKILSA-N -1 0 340.382 5.079 40 30 EKEBRM O=C([O-])c1cccc(-n2cccc2/C=N/c2cccc3ccccc32)c1 ZINC000409109045 564009974 /nfs/dbraw/zinc/00/99/74/564009974.db2.gz XAYNLBQFLULCGP-HZHRSRAPSA-N -1 0 340.382 5.079 40 30 EKEBRM CC[C@@H](C)c1ccc(/N=C/c2cccn2-c2cccc(C(=O)[O-])c2)cc1 ZINC000409109175 257879276 /nfs/dbraw/zinc/87/92/76/257879276.db2.gz ZDFZVQZPWJIYAY-LGVXEURYSA-N -1 0 346.430 5.440 40 30 EKEBRM CC[C@H](C)c1ccc(/N=C/c2cccn2-c2cccc(C(=O)[O-])c2)cc1 ZINC000409109176 563948932 /nfs/dbraw/zinc/94/89/32/563948932.db2.gz ZDFZVQZPWJIYAY-PFRBSUFTSA-N -1 0 346.430 5.440 40 30 EKEBRM CCCCc1ccc(/N=C/c2cccn2-c2cccc(C(=O)[O-])c2)cc1 ZINC000409117237 257878139 /nfs/dbraw/zinc/87/81/39/257878139.db2.gz NXVKNWFXHBMRGX-XQNSMLJCSA-N -1 0 346.430 5.269 40 30 EKEBRM Cc1ccc(/N=C\c2cccc(OCc3ccc(C(=O)[O-])cc3)c2)cc1 ZINC000409199858 257874738 /nfs/dbraw/zinc/87/47/38/257874738.db2.gz DULUZFYOBMLEBL-UCQKPKSFSA-N -1 0 345.398 5.023 40 30 EKEBRM Cc1ccccc1/N=C\c1cccc(OCc2ccc(C(=O)[O-])cc2)c1 ZINC000409201241 564011022 /nfs/dbraw/zinc/01/10/22/564011022.db2.gz KTRBANOZBVZDAO-UCQKPKSFSA-N -1 0 345.398 5.023 40 30 EKEBRM Cc1cccc(/N=C/c2ccc(OCc3ccccc3)c(C(=O)[O-])c2)c1 ZINC000409203171 564011052 /nfs/dbraw/zinc/01/10/52/564011052.db2.gz UWBNWNBNWBTEJM-OEAKJJBVSA-N -1 0 345.398 5.023 40 30 EKEBRM Cc1ccc(Sc2ccc(/C=N/c3cccc(C(=O)[O-])c3)cc2)cc1 ZINC000409233927 257874068 /nfs/dbraw/zinc/87/40/68/257874068.db2.gz URNHNBZUBJQVLU-HYARGMPZSA-N -1 0 347.439 5.595 40 30 EKEBRM CC[C@@H](C)c1ccc(/N=C/c2cccn2-c2ccc(C(=O)[O-])cc2)cc1 ZINC000409238500 563973212 /nfs/dbraw/zinc/97/32/12/563973212.db2.gz DSIVTCWGLSFHAS-LGVXEURYSA-N -1 0 346.430 5.440 40 30 EKEBRM CC[C@H](C)c1ccc(/N=C/c2cccn2-c2ccc(C(=O)[O-])cc2)cc1 ZINC000409238502 563973224 /nfs/dbraw/zinc/97/32/24/563973224.db2.gz DSIVTCWGLSFHAS-PFRBSUFTSA-N -1 0 346.430 5.440 40 30 EKEBRM CC(C)c1ccc(/N=C/c2cccn2-c2ccc(C(=O)[O-])cc2)cc1 ZINC000409248424 257873279 /nfs/dbraw/zinc/87/32/79/257873279.db2.gz KFZKNFVIWZMCAP-HYARGMPZSA-N -1 0 332.403 5.050 40 30 EKEBRM Cc1ccc(Sc2ccc(/C=N/c3ccc(C(=O)[O-])cc3)cc2)cc1 ZINC000409255267 563973297 /nfs/dbraw/zinc/97/32/97/563973297.db2.gz ZOZYEUKDWQPTBT-HYARGMPZSA-N -1 0 347.439 5.595 40 30 EKEBRM CCCCCCCCCCCCSc1nnc(CC(=O)[O-])s1 ZINC000585681210 564081233 /nfs/dbraw/zinc/08/12/33/564081233.db2.gz GGLAEKHINBDSPF-UHFFFAOYSA-N -1 0 344.546 5.178 40 30 EKEBRM