smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1ccc2ccccc2n1)C(=O)NC1(C(=O)[O-])CCCC1 ZINC000827884264 939220088 /nfs/dbraw/zinc/22/00/88/939220088.db2.gz RSENGCFPBDMJFE-UHFFFAOYSA-N -1 0 327.384 2.774 50 0 EFAARM O=C([O-])C1(NC(=O)C[C@H](c2ccco2)c2ccccc2)CCOCC1 ZINC000952981080 939809606 /nfs/dbraw/zinc/80/96/06/939809606.db2.gz UOSILVSUWYSGFV-HNNXBMFYSA-N -1 0 343.379 2.552 50 0 EFAARM CCCCN1C(=O)[N-]C(=O)C(=C(C)NCCC2=CCCCC2)C1=O ZINC000101074514 219115427 /nfs/dbraw/zinc/11/54/27/219115427.db2.gz GYYDGVDKLOGPNV-FYWRMAATSA-N -1 0 333.432 2.619 50 0 EFAARM COc1ccc(OCC(=O)c2c([O-])c3ccccc3oc2=O)cc1 ZINC000004282094 210161440 /nfs/dbraw/zinc/16/14/40/210161440.db2.gz PKZCKZFTUXGANS-UHFFFAOYSA-N -1 0 326.304 2.769 50 0 EFAARM CCCn1nc(NC(=O)CCC(=O)[O-])c2cc3ccccc3nc21 ZINC000009348424 201775715 /nfs/dbraw/zinc/77/57/15/201775715.db2.gz KPPFTSZTDVQATP-UHFFFAOYSA-N -1 0 326.356 2.798 50 0 EFAARM CCOc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1OC ZINC000011948121 201820972 /nfs/dbraw/zinc/82/09/72/201820972.db2.gz CYNKOBAXNTVUBW-KBPBESRZSA-N -1 0 335.400 2.601 50 0 EFAARM Cn1cc(-c2cc(C(F)F)c3c(C4CC4)nn(CC(=O)[O-])c3n2)cn1 ZINC000012395320 201843242 /nfs/dbraw/zinc/84/32/42/201843242.db2.gz VQPZYDNOIOEWPX-UHFFFAOYSA-N -1 0 347.325 2.731 50 0 EFAARM CCN(CC)C(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000012403810 201845104 /nfs/dbraw/zinc/84/51/04/201845104.db2.gz INJPEKRSUUKNGB-HZPDHXFCSA-N -1 0 346.427 2.998 50 0 EFAARM O=C([O-])c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000013944149 201921251 /nfs/dbraw/zinc/92/12/51/201921251.db2.gz FFCSLPWSINAZII-CYBMUJFWSA-N -1 0 330.384 2.505 50 0 EFAARM Cc1ccccc1N1C(=O)C[C@@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000019880981 202025167 /nfs/dbraw/zinc/02/51/67/202025167.db2.gz LRMRNEPFNCIFFU-CYBMUJFWSA-N -1 0 342.376 2.512 50 0 EFAARM O=C([O-])CCCC(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000012403801 304045845 /nfs/dbraw/zinc/04/58/45/304045845.db2.gz ZRZCMDUNVSKCAE-UHFFFAOYSA-N -1 0 332.400 2.896 50 0 EFAARM CCCCCCNC(C)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000020292292 202036492 /nfs/dbraw/zinc/03/64/92/202036492.db2.gz FWEJAGCNMIXPKH-JQIJEIRASA-N -1 0 343.427 2.709 50 0 EFAARM COc1cccc(-c2nc(CC(=O)N[C@H](C(=O)[O-])C(C)C)cs2)c1 ZINC000020737099 202053939 /nfs/dbraw/zinc/05/39/39/202053939.db2.gz MMRQPMNEPDLVKL-HNNXBMFYSA-N -1 0 348.424 2.587 50 0 EFAARM O=C([O-])c1ccc(N2C[C@H](C(=O)Nc3ccc(F)cc3)CC2=O)cc1 ZINC000020717497 202052163 /nfs/dbraw/zinc/05/21/63/202052163.db2.gz IAHRUQVOXAJFJB-GFCCVEGCSA-N -1 0 342.326 2.516 50 0 EFAARM CCC[C@@H](NC(=O)NCc1cccc(Br)c1)C(=O)[O-] ZINC000022219811 202081011 /nfs/dbraw/zinc/08/10/11/202081011.db2.gz KZBNJQZQWKZICJ-LLVKDONJSA-N -1 0 329.194 2.502 50 0 EFAARM Cc1cccc(-n2[nH][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)c1 ZINC000023126626 202099560 /nfs/dbraw/zinc/09/95/60/202099560.db2.gz QADSBWXIGOPAPN-QZTJIDSGSA-N -1 0 346.390 2.982 50 0 EFAARM O=C([O-])C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000000249146 304073266 /nfs/dbraw/zinc/07/32/66/304073266.db2.gz PKPITNALFNRYTK-VXGBXAGGSA-N -1 0 331.290 2.914 50 0 EFAARM C[C@@H](CCc1ccccc1)Nc1ccc2nnc(CCC(=O)[O-])n2n1 ZINC000032094338 202221529 /nfs/dbraw/zinc/22/15/29/202221529.db2.gz QZHZCBQFOWZUNM-ZDUSSCGKSA-N -1 0 339.399 2.575 50 0 EFAARM O=C([O-])CN(CC(=O)NCCc1ccccc1Cl)c1ccccc1 ZINC000034926522 202281612 /nfs/dbraw/zinc/28/16/12/202281612.db2.gz QFHWLYJGURAOQV-UHFFFAOYSA-N -1 0 346.814 2.590 50 0 EFAARM O=C([O-])COCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000036075401 202313239 /nfs/dbraw/zinc/31/32/39/202313239.db2.gz LBVXPUINIMIGAU-UHFFFAOYSA-N -1 0 341.363 2.626 50 0 EFAARM Cc1cc(S(=O)(=O)[N-]c2ccccn2)ccc1Br ZINC000037385865 202339772 /nfs/dbraw/zinc/33/97/72/202339772.db2.gz ICPRSELLKWDYAG-UHFFFAOYSA-N -1 0 327.203 2.953 50 0 EFAARM Cc1cc(S(=O)(=O)[N-]c2cccnc2)ccc1Br ZINC000037385859 202340579 /nfs/dbraw/zinc/34/05/79/202340579.db2.gz KPQQZKKQCPQCFN-UHFFFAOYSA-N -1 0 327.203 2.953 50 0 EFAARM O=C([O-])c1ccc2[nH]c(SCC(=O)NC3CCCCC3)nc2c1 ZINC000076565728 202388692 /nfs/dbraw/zinc/38/86/92/202388692.db2.gz KLKVQQVSTJYHCX-UHFFFAOYSA-N -1 0 333.413 2.802 50 0 EFAARM CN(CC(=O)[O-])C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000000186163 209471842 /nfs/dbraw/zinc/47/18/42/209471842.db2.gz JQXHQBRZZAHKTI-UHFFFAOYSA-N -1 0 335.363 2.696 50 0 EFAARM CC[C@H](C)[C@H](NC(=O)N1CCc2c3ccccc3[nH]c2C1)C(=O)[O-] ZINC000012899551 201365215 /nfs/dbraw/zinc/36/52/15/201365215.db2.gz RACJZOSPZFRWNM-ZBEGNZNMSA-N -1 0 329.400 2.735 50 0 biogenic EFAARM CCN(Cc1noc(C)n1)[C@@H](C(=O)[O-])c1cc(C)c(OC)c(C)c1 ZINC000055198092 202684242 /nfs/dbraw/zinc/68/42/42/202684242.db2.gz RKYHUGWZXGGABL-OAHLLOKOSA-N -1 0 333.388 2.651 50 0 EFAARM COc1cc(NC(=O)[C@@H](C)Oc2ccccc2)c(C(=O)[O-])cc1OC ZINC000000054503 201427614 /nfs/dbraw/zinc/42/76/14/201427614.db2.gz LKEPKOUIYQXLDG-LLVKDONJSA-N -1 0 345.351 2.808 50 0 EFAARM COC(=O)c1c(NC(=O)c2ccccc2C(=O)[O-])sc2c1CCC2 ZINC000000096438 201434208 /nfs/dbraw/zinc/43/42/08/201434208.db2.gz ASCGLENEAKALNJ-UHFFFAOYSA-N -1 0 345.376 2.974 50 0 EFAARM COC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CC[C@H](C)C2 ZINC000000214353 201449010 /nfs/dbraw/zinc/44/90/10/201449010.db2.gz YCLHIPIWFPRLJM-VIFPVBQESA-N -1 0 339.413 2.853 50 0 EFAARM COc1cccc(CN2CCC(F)(F)CC2)c1O[C@@H](C)C(=O)[O-] ZINC000216246706 241178701 /nfs/dbraw/zinc/17/87/01/241178701.db2.gz WIFNVPIRUKNOGX-NSHDSACASA-N -1 0 329.343 2.778 50 0 EFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)c1 ZINC000000249036 201453471 /nfs/dbraw/zinc/45/34/71/201453471.db2.gz AWPLDXNHRNFCQY-UHFFFAOYSA-N -1 0 335.381 2.707 50 0 EFAARM COc1cc(-n2cnc3cc(C(=O)[O-])ccc32)cc(OC)c1OC ZINC000000266920 201454618 /nfs/dbraw/zinc/45/46/18/201454618.db2.gz LGPHTQYXNVUDHA-UHFFFAOYSA-N -1 0 328.324 2.750 50 0 EFAARM Cc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000000278458 201455681 /nfs/dbraw/zinc/45/56/81/201455681.db2.gz WOPSXEFXWDHPLJ-OAHLLOKOSA-N -1 0 337.372 2.628 50 0 EFAARM CCOC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])cc1 ZINC000000990531 201495356 /nfs/dbraw/zinc/49/53/56/201495356.db2.gz AZXGDECSBDFRMU-DHMWGJHJSA-N -1 0 331.368 2.549 50 0 EFAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])Cc2cccc(C)c2)cc1 ZINC000000462613 201476604 /nfs/dbraw/zinc/47/66/04/201476604.db2.gz ZEUZNEMSEREDCW-UHFFFAOYSA-N -1 0 333.409 2.579 50 0 EFAARM O=C([O-])C=Cc1cccc(N2C(=O)C[C@H](Cc3ccccc3)C2=O)c1 ZINC000000488282 201479919 /nfs/dbraw/zinc/47/99/19/201479919.db2.gz JKKQCBJRXUMCQL-SCOAYWHSSA-N -1 0 335.359 2.907 50 0 biogenic EFAARM CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000003263986 201562868 /nfs/dbraw/zinc/56/28/68/201562868.db2.gz OZKYTVRFQCGZKP-UHFFFAOYSA-N -1 0 339.800 2.859 50 0 EFAARM CC(C)C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000003289733 201563952 /nfs/dbraw/zinc/56/39/52/201563952.db2.gz ZGTSGKVKLXVHQP-SNVBAGLBSA-N -1 0 340.228 2.771 50 0 EFAARM CSCC[C@@H](C(=O)[O-])N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000004503170 201603772 /nfs/dbraw/zinc/60/37/72/201603772.db2.gz HITWJLKWFZZGEH-JTQLQIEISA-N -1 0 348.207 2.796 50 0 EFAARM O=C([O-])Cc1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1 ZINC000004618181 201608752 /nfs/dbraw/zinc/60/87/52/201608752.db2.gz HMGFSURUUUKBBF-UHFFFAOYSA-N -1 0 330.365 2.851 50 0 EFAARM CCOc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000004996023 201632985 /nfs/dbraw/zinc/63/29/85/201632985.db2.gz KCUYGPSXIQAZLO-UHFFFAOYSA-N -1 0 349.408 2.674 50 0 EFAARM O=C([O-])[C@@H](NC(=O)OCc1ccccc1)c1ccc2c(c1)OCCO2 ZINC000006282296 201677110 /nfs/dbraw/zinc/67/71/10/201677110.db2.gz YUIPCSYZJGWSNP-INIZCTEOSA-N -1 0 343.335 2.510 50 0 EFAARM C[C@H](c1ccncn1)N(C)Cc1cc(Cl)ccc1OCC(=O)[O-] ZINC000244723852 243069589 /nfs/dbraw/zinc/06/95/89/243069589.db2.gz MIROJLFEOKLNNZ-LLVKDONJSA-N -1 0 335.791 2.786 50 0 EFAARM CCn1nccc1-c1cc(C(=O)[O-])n2nc(-c3ccccc3)cc2n1 ZINC000020615924 212156397 /nfs/dbraw/zinc/15/63/97/212156397.db2.gz BSFXIBPTXLWVJA-UHFFFAOYSA-N -1 0 333.351 2.978 50 0 EFAARM CCn1ncc([C@H]2CC(=O)Nc3c2c(=O)[nH]n3C2CCCC2)c1C ZINC000071280578 203088507 /nfs/dbraw/zinc/08/85/07/203088507.db2.gz HFYPDJRBPLVLCK-GFCCVEGCSA-N -1 0 329.404 2.940 50 0 EFAARM CCn1ncc(-c2csc(NC(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)n2)c1C ZINC000071285470 203089936 /nfs/dbraw/zinc/08/99/36/203089936.db2.gz HMICSFDTZLJHIO-NEPJUHHUSA-N -1 0 348.428 2.630 50 0 EFAARM Cc1nc(-c2cccc(NC(=O)c3nccnc3C(=O)[O-])c2)cs1 ZINC000071287575 203090737 /nfs/dbraw/zinc/09/07/37/203090737.db2.gz DXNLGHWTYOEKGF-UHFFFAOYSA-N -1 0 340.364 2.859 50 0 EFAARM CC(C)c1nc(-c2ccc(NC(=O)[C@H]3[C@H](C(=O)[O-])C3(C)C)cc2)n[nH]1 ZINC000071287728 203091082 /nfs/dbraw/zinc/09/10/82/203091082.db2.gz GEKXMZNQRGKABI-CHWSQXEVSA-N -1 0 342.399 2.890 50 0 EFAARM CC1(C)[C@H](C(=O)Nc2ccc(NC(=O)C3CCC3)cc2)[C@@H]1C(=O)[O-] ZINC000071288926 203091088 /nfs/dbraw/zinc/09/10/88/203091088.db2.gz QYPSCHAVOVJRCV-UONOGXRCSA-N -1 0 330.384 2.721 50 0 EFAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000071286748 203091195 /nfs/dbraw/zinc/09/11/95/203091195.db2.gz RDKLRFBEINFVGP-RYUDHWBXSA-N -1 0 349.387 2.563 50 0 EFAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(NC(=O)C2CCC2)cc1 ZINC000071288930 203091228 /nfs/dbraw/zinc/09/12/28/203091228.db2.gz QYPSCHAVOVJRCV-KBPBESRZSA-N -1 0 330.384 2.721 50 0 EFAARM COC(=O)c1ccc(-c2nccn2[C@@H](Cc2ccco2)C(=O)[O-])cc1 ZINC000071422301 203095143 /nfs/dbraw/zinc/09/51/43/203095143.db2.gz OLUGGXAZHNGOOL-HNNXBMFYSA-N -1 0 340.335 2.798 50 0 EFAARM CC(C)C[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000071329022 203092988 /nfs/dbraw/zinc/09/29/88/203092988.db2.gz SRUZEJRSVQBMAC-CQSZACIVSA-N -1 0 332.425 2.968 50 0 EFAARM COc1cc(Br)ccc1NC(=O)[C@H]1CC[C@H](C(=O)[O-])C1 ZINC000071405206 203093594 /nfs/dbraw/zinc/09/35/94/203093594.db2.gz SRJJTEVUCXXKDV-IUCAKERBSA-N -1 0 342.189 2.897 50 0 EFAARM O=C([O-])c1cc(-c2ccc(O)cc2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000071479519 203099095 /nfs/dbraw/zinc/09/90/95/203099095.db2.gz JGTIZBDEVPREBN-UHFFFAOYSA-N -1 0 347.392 2.542 50 0 EFAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1coc(Br)c1 ZINC000299388467 304147951 /nfs/dbraw/zinc/14/79/51/304147951.db2.gz ZNDSTUZYBGNKLG-MIMYLULJSA-N -1 0 342.189 2.900 50 0 EFAARM O=C([O-])c1cccc(C[C@@H]2CCN(C(=O)c3ccc4[nH]cnc4c3)C2)c1 ZINC000072133095 203166836 /nfs/dbraw/zinc/16/68/36/203166836.db2.gz UTICJKLOKTZJGU-AWEZNQCLSA-N -1 0 349.390 2.966 50 0 EFAARM Cc1cccc2nc(C(=O)N3CC[C@H](c4ccccc4C(=O)[O-])C3)cn21 ZINC000072167361 203179049 /nfs/dbraw/zinc/17/90/49/203179049.db2.gz XNUIKONTYMXMMJ-AWEZNQCLSA-N -1 0 349.390 2.971 50 0 EFAARM Cc1cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])c2cc(Cl)ccc2n1 ZINC000072171546 203181196 /nfs/dbraw/zinc/18/11/96/203181196.db2.gz IPXUWIRZSHRDQS-LBPRGKRZSA-N -1 0 348.786 2.512 50 0 EFAARM Cc1nn(C(C)C)c(C)c1-c1[nH]nc(C(=O)[O-])c1Br ZINC000072323981 203201412 /nfs/dbraw/zinc/20/14/12/203201412.db2.gz FTSIDGWRHXBQQM-UHFFFAOYSA-N -1 0 327.182 2.932 50 0 EFAARM CC(C)c1cc(C(=O)N2CCC(C(=O)[O-])(n3ccnc3)CC2)cs1 ZINC000072438889 203224971 /nfs/dbraw/zinc/22/49/71/203224971.db2.gz CGCNROCRENSWLW-UHFFFAOYSA-N -1 0 347.440 2.784 50 0 EFAARM Cc1csc(CN2CCC(Oc3ccc(C)nc3)(C(=O)[O-])CC2)n1 ZINC000072453839 203227184 /nfs/dbraw/zinc/22/71/84/203227184.db2.gz FRMKWRCXANVQRY-UHFFFAOYSA-N -1 0 347.440 2.653 50 0 EFAARM CCOC(=O)C[C@@H](c1c([O-])c2ccccc2[nH]c1=O)C(F)(F)F ZINC000072406147 203215359 /nfs/dbraw/zinc/21/53/59/203215359.db2.gz WKEPGAVWHYLHEQ-VIFPVBQESA-N -1 0 329.274 2.833 50 0 EFAARM CC(C)c1ccn(C2(C(=O)[O-])CCN(C(=O)[C@H]3CC=CCC3)CC2)n1 ZINC000072419255 203218731 /nfs/dbraw/zinc/21/87/31/203218731.db2.gz PCGZAPYLNNDQNP-HNNXBMFYSA-N -1 0 345.443 2.765 50 0 EFAARM Cc1cc(F)ccc1OC1(C(=O)[O-])CCN(C(=O)c2ccc[nH]2)CC1 ZINC000072425336 203221650 /nfs/dbraw/zinc/22/16/50/203221650.db2.gz QHGCSXFTUFQNCN-UHFFFAOYSA-N -1 0 346.358 2.601 50 0 EFAARM O=C([O-])c1ccnc(-c2ccnc(NCC[C@H]3CCCCO3)n2)c1 ZINC000077486313 203391765 /nfs/dbraw/zinc/39/17/65/203391765.db2.gz ANERFSWFQDSDMT-CYBMUJFWSA-N -1 0 328.372 2.608 50 0 EFAARM CCC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2cccc(OC)c2OC)C1 ZINC000091792969 203653161 /nfs/dbraw/zinc/65/31/61/203653161.db2.gz SFLGSYXACPEANA-IBGZPJMESA-N -1 0 349.427 2.740 50 0 EFAARM CC(C)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2Cl)n(C)n1 ZINC000095498924 203750915 /nfs/dbraw/zinc/75/09/15/203750915.db2.gz JSESVRYXZIIVCD-CQSZACIVSA-N -1 0 335.791 2.753 50 0 EFAARM CCn1nc(CC(C)C)cc1C(=O)N[C@@H](C(=O)[O-])c1ccccc1F ZINC000095511638 203754232 /nfs/dbraw/zinc/75/42/32/203754232.db2.gz YRVOXYWZZVMBTQ-MRXNPFEDSA-N -1 0 347.390 2.796 50 0 EFAARM COc1ccccc1OC[C@H](C)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000097759254 203963866 /nfs/dbraw/zinc/96/38/66/203963866.db2.gz CHCRWRYDMAHENX-JTQLQIEISA-N -1 0 335.381 2.652 50 0 EFAARM Cc1cccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1 ZINC000101167202 204001785 /nfs/dbraw/zinc/00/17/85/204001785.db2.gz KJHGNUMMYZWLOV-HZPDHXFCSA-N -1 0 338.342 2.628 50 0 EFAARM Cc1cccc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)c1 ZINC000101260598 204002298 /nfs/dbraw/zinc/00/22/98/204002298.db2.gz SXYUEWWGSQBQGB-JKSUJKDBSA-N -1 0 338.342 2.940 50 0 EFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4)c=3c2=O)cc1 ZINC000101167682 204002594 /nfs/dbraw/zinc/00/25/94/204002594.db2.gz XFBRFKLJYBBGNZ-SJORKVTESA-N -1 0 334.379 2.742 50 0 EFAARM O=c1c2[n-][nH]n(-c3ccc(F)cc3)c=2c(=O)n1-c1cccc(Cl)c1 ZINC000101277730 204003272 /nfs/dbraw/zinc/00/32/72/204003272.db2.gz OERRKNSIEISAOU-KBPBESRZSA-N -1 0 344.733 2.977 50 0 EFAARM O=c1c2[n-][nH]n(-c3ccc(Cl)cc3)c=2c(=O)n1-c1ccccc1 ZINC000101277640 204003493 /nfs/dbraw/zinc/00/34/93/204003493.db2.gz YAAZYUJFIMZYLP-KBPBESRZSA-N -1 0 326.743 2.838 50 0 EFAARM O=c1c2[n-][nH]n(-c3ccc(Cl)cc3)c=2c(=O)n1-c1ccccc1 ZINC000101277641 204003549 /nfs/dbraw/zinc/00/35/49/204003549.db2.gz YAAZYUJFIMZYLP-KGLIPLIRSA-N -1 0 326.743 2.838 50 0 EFAARM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)cc1F ZINC000101277766 204003569 /nfs/dbraw/zinc/00/35/69/204003569.db2.gz VYJKAUFOWDUUSY-LSDHHAIUSA-N -1 0 342.305 2.771 50 0 EFAARM Cc1cccc(-n2[nH][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)c1 ZINC000101262575 204003896 /nfs/dbraw/zinc/00/38/96/204003896.db2.gz QADSBWXIGOPAPN-ZWKOTPCHSA-N -1 0 346.390 2.982 50 0 EFAARM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)cc1C ZINC000101277765 204004016 /nfs/dbraw/zinc/00/40/16/204004016.db2.gz QYVPQPXQQFTWDR-CVEARBPZSA-N -1 0 338.342 2.940 50 0 EFAARM CC(C)CCOc1ccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1 ZINC000101446790 204007889 /nfs/dbraw/zinc/00/78/89/204007889.db2.gz WYARZFHURXYMSM-OAHLLOKOSA-N -1 0 328.372 2.686 50 0 EFAARM COc1cc(OC)cc(-c2cc3nc(C(=O)[O-])cc(C4CC4)n3n2)c1 ZINC000041568731 204045619 /nfs/dbraw/zinc/04/56/19/204045619.db2.gz IQQKDDCHXOCLEQ-UHFFFAOYSA-N -1 0 339.351 2.989 50 0 EFAARM CCc1[n-]n2c(nc(C)c(CC(=O)OC)c2=O)c1-c1ccccc1 ZINC000102722651 204048019 /nfs/dbraw/zinc/04/80/19/204048019.db2.gz FEEICWCYGPPICO-UHFFFAOYSA-N -1 0 325.368 2.688 50 0 EFAARM O=C([O-])[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000000243567 304169558 /nfs/dbraw/zinc/16/95/58/304169558.db2.gz WGAHLUJFRZDFHK-VXGBXAGGSA-N -1 0 331.290 2.914 50 0 EFAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000006725419 304174199 /nfs/dbraw/zinc/17/41/99/304174199.db2.gz GELDDCZLWZAGHR-DETCHVMESA-N -1 0 331.368 2.533 50 0 EFAARM Cc1cccc(N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])CC2)c1C ZINC000000204938 206209840 /nfs/dbraw/zinc/20/98/40/206209840.db2.gz ZQVWVLHRJCXSMM-SJORKVTESA-N -1 0 344.455 2.843 50 0 EFAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000000583258 206244830 /nfs/dbraw/zinc/24/48/30/206244830.db2.gz QHOWBPFKWJKJQO-UHFFFAOYSA-N -1 0 335.381 2.591 50 0 EFAARM CC(=O)c1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000000537301 206239290 /nfs/dbraw/zinc/23/92/90/206239290.db2.gz PGHUXWJDCTVORF-INIZCTEOSA-N -1 0 326.352 2.707 50 0 biogenic EFAARM O=C([O-])c1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1 ZINC000001295943 206268990 /nfs/dbraw/zinc/26/89/90/206268990.db2.gz DLLDRJMTLFUYKY-UHFFFAOYSA-N -1 0 331.335 2.679 50 0 biogenic EFAARM O=C([O-])[C@H]1CCCc2sc(NC(=O)c3ccc4c(c3)OCO4)nc21 ZINC000011920134 304190400 /nfs/dbraw/zinc/19/04/00/304190400.db2.gz AMRHUBFODIDOKD-VIFPVBQESA-N -1 0 346.364 2.629 50 0 EFAARM CSCC[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005354213 206500733 /nfs/dbraw/zinc/50/07/33/206500733.db2.gz HPOOWTYSXDWWIC-OAHLLOKOSA-N -1 0 334.441 2.813 50 0 EFAARM O=C([O-])[C@]1(Cc2ccccc2)CCCN(c2ncnc3c2CCC3)C1 ZINC000071661558 304213360 /nfs/dbraw/zinc/21/33/60/304213360.db2.gz ALFQVXPSIPXGOU-FQEVSTJZSA-N -1 0 337.423 2.879 50 0 EFAARM O=C([O-])c1c(Br)ccc(I)c1F ZINC000034512504 304216889 /nfs/dbraw/zinc/21/68/89/304216889.db2.gz FTGARIJZXXCFHE-UHFFFAOYSA-N -1 0 344.905 2.891 50 0 EFAARM Cc1ccc(-c2csc([N-]N=c3c(=O)c4ccccc4c3=O)n2)cc1 ZINC000005274508 210431706 /nfs/dbraw/zinc/43/17/06/210431706.db2.gz QDOHUYAUFXHUCC-UHFFFAOYSA-N -1 0 347.399 2.796 50 0 EFAARM C[C@@H](Oc1ccccc1)C(=O)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC000004773154 210275706 /nfs/dbraw/zinc/27/57/06/210275706.db2.gz JJXQLBJPYWJZQB-LLVKDONJSA-N -1 0 344.392 2.665 50 0 EFAARM O=C([O-])c1ccnc(-c2ccnc(N3CCc4ccccc4C3)n2)c1 ZINC000072423940 304272963 /nfs/dbraw/zinc/27/29/63/304272963.db2.gz SHHIHKNEYIXCSU-UHFFFAOYSA-N -1 0 332.363 2.800 50 0 EFAARM O=C([O-])c1ccnc(-c2ccnc(N[C@@H]3COc4ccccc4C3)n2)c1 ZINC000072412287 304272973 /nfs/dbraw/zinc/27/29/73/304272973.db2.gz VJXSGNHGPOVIDF-AWEZNQCLSA-N -1 0 348.362 2.652 50 0 EFAARM Cc1cc2nc(CN3CCCC[C@@H]3c3nccs3)cc(=O)n2[n-]1 ZINC000334159695 258016386 /nfs/dbraw/zinc/01/63/86/258016386.db2.gz OOYKQYCQTYPRJP-CYBMUJFWSA-N -1 0 329.429 2.515 50 0 EFAARM Cc1noc(C)c1CC(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000299778189 258087476 /nfs/dbraw/zinc/08/74/76/258087476.db2.gz RLVVFIBEBUQGNV-INIZCTEOSA-N -1 0 342.395 2.938 50 0 EFAARM O=C([O-])C[C@@]1(c2ccccc2)CC(=O)N(CC2CCCCC2)C1=O ZINC000299794812 258099836 /nfs/dbraw/zinc/09/98/36/258099836.db2.gz JZMYGEHKIYQYNK-LJQANCHMSA-N -1 0 329.396 2.738 50 0 EFAARM O=C([O-])[C@@H](C(=O)NCc1nc2cc(F)ccc2[nH]1)C1CCCCC1 ZINC000299795513 258099940 /nfs/dbraw/zinc/09/99/40/258099940.db2.gz LTOPTINIGSCNIU-OAHLLOKOSA-N -1 0 333.363 2.599 50 0 EFAARM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@H]1CCOc2ccccc2C1 ZINC000299756752 258074897 /nfs/dbraw/zinc/07/48/97/258074897.db2.gz GEWAHTMIHWWNQV-ZDUSSCGKSA-N -1 0 342.395 2.701 50 0 EFAARM O=C([O-])c1nc[nH]c1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000299765161 258080015 /nfs/dbraw/zinc/08/00/15/258080015.db2.gz JJFBYTBBDQUNPD-GFCCVEGCSA-N -1 0 341.367 2.674 50 0 EFAARM O=C([O-])C[C@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O ZINC000299765240 258080247 /nfs/dbraw/zinc/08/02/47/258080247.db2.gz DFMXPQJABFGKBI-KRWDZBQOSA-N -1 0 335.787 2.754 50 0 EFAARM O=C([O-])[C@@H]1CCCN(c2nccn3nc(-c4ccc(F)cc4)cc23)C1 ZINC000057509298 132200894 /nfs/dbraw/zinc/20/08/94/132200894.db2.gz JNYIEOHSPLGAPQ-CYBMUJFWSA-N -1 0 340.358 2.836 50 0 EFAARM COC(=O)c1sccc1NC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000000070088 292042919 /nfs/dbraw/zinc/04/29/19/292042919.db2.gz KEWKOHHMZAYKDK-GHMZBOCLSA-N -1 0 337.397 2.920 50 0 EFAARM C[C@@H](NC(=O)CCc1cc(Br)cs1)[C@@H](C)C(=O)[O-] ZINC000263452630 141395301 /nfs/dbraw/zinc/39/53/01/141395301.db2.gz OLAINFDPTVLQTR-HTQZYQBOSA-N -1 0 334.235 2.669 50 0 EFAARM O=C(Nc1cccc(O)c1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100613772 544560947 /nfs/dbraw/zinc/56/09/47/544560947.db2.gz XREQWVFDAMYRLO-UHFFFAOYSA-N -1 0 336.347 2.611 50 0 biogenic EFAARM Cc1ccccc1[C@@H](C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)N(C)C ZINC000244882612 292636464 /nfs/dbraw/zinc/63/64/64/292636464.db2.gz XVBAYHIFUKYKGO-ZOBUZTSGSA-N -1 0 332.444 2.605 50 0 EFAARM CC(C)(C)C(=O)Nc1ccc(I)cc1C(=O)[O-] ZINC000004724631 278294412 /nfs/dbraw/zinc/29/44/12/278294412.db2.gz CXHZOXYQBWGCBI-UHFFFAOYSA-N -1 0 347.152 2.974 50 0 EFAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2nc3ccccc3[nH]2)c1=O ZINC000101025002 288692250 /nfs/dbraw/zinc/69/22/50/288692250.db2.gz MSIIQGRNGMMSTR-UHFFFAOYSA-N -1 0 348.362 2.856 50 0 EFAARM COC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000038528965 292830871 /nfs/dbraw/zinc/83/08/71/292830871.db2.gz YFWAFELGMGZCHL-QGZVFWFLSA-N -1 0 341.363 2.625 50 0 EFAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCCc2ccccc21 ZINC000003269658 295098996 /nfs/dbraw/zinc/09/89/96/295098996.db2.gz SOWMMLZAHCJTDH-UHFFFAOYSA-N -1 0 347.392 2.535 50 0 EFAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1c2ccccc2C[C@H]1C ZINC000001439826 295099502 /nfs/dbraw/zinc/09/95/02/295099502.db2.gz CKSRMTPALCQNMQ-LLVKDONJSA-N -1 0 347.392 2.533 50 0 EFAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000000269739 295252231 /nfs/dbraw/zinc/25/22/31/295252231.db2.gz XKBKJKQBOSAGPZ-WMZOPIPTSA-N -1 0 341.363 2.883 50 0 EFAARM Cc1cc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccccc2)CC(=O)N3)no1 ZINC000061717591 301035038 /nfs/dbraw/zinc/03/50/38/301035038.db2.gz DAOQUQPPCOCVPC-GFCCVEGCSA-N -1 0 337.335 2.946 50 0 EFAARM Cc1cccnc1NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100298294 302241085 /nfs/dbraw/zinc/24/10/85/302241085.db2.gz RZGLZYIAEHMDHM-UHFFFAOYSA-N -1 0 335.363 2.609 50 0 EFAARM Cc1nc(-n2cccc2)sc1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000080350934 302539060 /nfs/dbraw/zinc/53/90/60/302539060.db2.gz DALNMIXACWGZLH-ZDUSSCGKSA-N -1 0 341.392 2.798 50 0 EFAARM Cc1nc2sc3c(c2c2nc(/C=C/C(=O)[O-])nn21)CC(C)(C)OC3 ZINC000002442196 302686963 /nfs/dbraw/zinc/68/69/63/302686963.db2.gz LCGPVRQQLBTJFR-SNAWJCMRSA-N -1 0 344.396 2.597 50 0 EFAARM Cn1c2nc(-c3ccc(Cl)cc3)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000020604777 302897902 /nfs/dbraw/zinc/89/79/02/302897902.db2.gz WGNVBVNFUNGHKQ-UHFFFAOYSA-N -1 0 347.783 2.636 50 0 EFAARM O=c1nn[n-]c2c1sc1nc(N3CCCCC3)c3c(c12)CCCC3 ZINC000031811269 304815349 /nfs/dbraw/zinc/81/53/49/304815349.db2.gz IBSCPRFQJAKZNM-UHFFFAOYSA-N -1 0 341.440 2.797 50 0 EFAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3ccccc3n2)cc1 ZINC000000152058 462544248 /nfs/dbraw/zinc/54/42/48/462544248.db2.gz BWUDGJFWSVFUHY-UHFFFAOYSA-N -1 0 341.392 2.994 50 0 EFAARM CC(C)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2Cl)n(C)n1 ZINC000095498923 473213283 /nfs/dbraw/zinc/21/32/83/473213283.db2.gz JSESVRYXZIIVCD-AWEZNQCLSA-N -1 0 335.791 2.753 50 0 EFAARM Cc1cccc([C@H](C(=O)[O-])N2CCN(c3ncccc3C)CC2)c1F ZINC000095512281 473217677 /nfs/dbraw/zinc/21/76/77/473217677.db2.gz LNTLYINUPIIHDH-QGZVFWFLSA-N -1 0 343.402 2.785 50 0 EFAARM Cc1[nH]c2c(c1CC(=O)N1CCC[C@@H](C(=O)[O-])C1)c(C)ccc2C ZINC000095512904 473217998 /nfs/dbraw/zinc/21/79/98/473217998.db2.gz HDOWRVQLOVSLKE-CQSZACIVSA-N -1 0 328.412 2.959 50 0 EFAARM O=C([O-])c1cccc(N2CCC[C@@H](c3nccn3CC3CC3)C2)n1 ZINC000095517370 473218194 /nfs/dbraw/zinc/21/81/94/473218194.db2.gz HWPFLVJOBGJZIP-CQSZACIVSA-N -1 0 326.400 2.770 50 0 EFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4C)c=3c2=O)cc1 ZINC000096286242 473371431 /nfs/dbraw/zinc/37/14/31/473371431.db2.gz ZAQFVHFYWCPXFL-IAGOWNOFSA-N -1 0 334.379 2.797 50 0 EFAARM CC1(C)c2sc(=O)[nH]c2S[C@H](C(=O)[O-])[C@@H]1C(=O)c1ccccc1 ZINC000096318828 473374554 /nfs/dbraw/zinc/37/45/54/473374554.db2.gz RVXUIXBCHUNAKQ-ONGXEEELSA-N -1 0 349.433 2.772 50 0 EFAARM CC(C)CC(=O)Nc1ccc(I)cc1C(=O)[O-] ZINC000000033415 471317810 /nfs/dbraw/zinc/31/78/10/471317810.db2.gz FRWQNGXVTBHRQG-UHFFFAOYSA-N -1 0 347.152 2.974 50 0 EFAARM Cc1[nH]c2ccccc2c1CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000000094655 471322380 /nfs/dbraw/zinc/32/23/80/471322380.db2.gz BWNVJRYTHVWIGP-CVEARBPZSA-N -1 0 326.396 2.802 50 0 EFAARM Cc1cc2ncn(C[C@@H](O)COc3ccc(C(=O)[O-])cc3)c2cc1C ZINC000000098540 471322785 /nfs/dbraw/zinc/32/27/85/471322785.db2.gz SPOFGIRCRRPIIO-OAHLLOKOSA-N -1 0 340.379 2.791 50 0 EFAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccccc2)cc1 ZINC000000105918 471324215 /nfs/dbraw/zinc/32/42/15/471324215.db2.gz GEFGCTKYAOXECH-KRWDZBQOSA-N -1 0 327.380 2.960 50 0 EFAARM O=c1[n-]c(=O)c(SCc2c(Cl)ccc(Cl)c2Cl)n[nH]1 ZINC000000137859 471327285 /nfs/dbraw/zinc/32/72/85/471327285.db2.gz UWANPLFDDSNBKQ-UHFFFAOYSA-N -1 0 338.603 2.711 50 0 EFAARM Cc1n[n-]c(SCC(=O)Nc2ccc(Cl)cc2Cl)nc1=O ZINC000000150978 471329372 /nfs/dbraw/zinc/32/93/72/471329372.db2.gz ODUAJKAHNQSAID-UHFFFAOYSA-N -1 0 345.211 2.511 50 0 EFAARM O=C([O-])CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000000182837 471331947 /nfs/dbraw/zinc/33/19/47/471331947.db2.gz JVERQDFUUGRBBY-UHFFFAOYSA-N -1 0 325.773 2.620 50 0 EFAARM CCOC(=O)c1sc(NC(=O)CCC(=O)[O-])nc1-c1ccccc1 ZINC000000204307 471334795 /nfs/dbraw/zinc/33/47/95/471334795.db2.gz XMVLMFKQNDVPIW-UHFFFAOYSA-N -1 0 348.380 2.790 50 0 EFAARM O=S(=O)([N-]c1ccc(Br)cn1)c1ccc(F)cc1 ZINC000000269922 471342412 /nfs/dbraw/zinc/34/24/12/471342412.db2.gz QEYMBOPQRYYMRY-UHFFFAOYSA-N -1 0 331.166 2.784 50 0 EFAARM CC(C)CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CC(C)C)cc1 ZINC000000282361 471342454 /nfs/dbraw/zinc/34/24/54/471342454.db2.gz LZHHXMTUPFCJKR-UHFFFAOYSA-N -1 0 340.445 2.522 50 0 EFAARM COc1ccc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000000269743 471342491 /nfs/dbraw/zinc/34/24/91/471342491.db2.gz XKBKJKQBOSAGPZ-SJLPKXTDSA-N -1 0 341.363 2.883 50 0 EFAARM CC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000000285644 471343873 /nfs/dbraw/zinc/34/38/73/471343873.db2.gz 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/nfs/dbraw/zinc/35/74/61/471357461.db2.gz WRGGDLFYWOAYDC-UHFFFAOYSA-N -1 0 333.457 2.942 50 0 EFAARM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NC1CCCCCC1 ZINC000000425353 471358291 /nfs/dbraw/zinc/35/82/91/471358291.db2.gz VQIPIHRCXNQSQV-UHFFFAOYSA-N -1 0 331.441 2.898 50 0 EFAARM COc1cccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccco3)C2)c1 ZINC000000521500 471367437 /nfs/dbraw/zinc/36/74/37/471367437.db2.gz RVJYLHOQKNZBAI-HNNXBMFYSA-N -1 0 342.351 2.831 50 0 EFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccccc1 ZINC000000522450 471368081 /nfs/dbraw/zinc/36/80/81/471368081.db2.gz QJDGSNPOUWFDTM-KRWDZBQOSA-N -1 0 337.379 2.663 50 0 EFAARM Cc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000582503 471372567 /nfs/dbraw/zinc/37/25/67/471372567.db2.gz XAFMSJWJMRADNR-UHFFFAOYSA-N -1 0 339.800 2.928 50 0 EFAARM CCOc1ccc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000000582542 471373112 /nfs/dbraw/zinc/37/31/12/471373112.db2.gz JPNSSPNOIHNYBJ-UHFFFAOYSA-N -1 0 334.397 2.709 50 0 EFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000000615590 471374147 /nfs/dbraw/zinc/37/41/47/471374147.db2.gz INQNRUIRDNPNPF-UHFFFAOYSA-N -1 0 337.397 2.822 50 0 EFAARM O=C([O-])c1ccc(-n2nnnc2Oc2cccc3cccnc32)cc1 ZINC000001061496 471381611 /nfs/dbraw/zinc/38/16/11/471381611.db2.gz VXSHUEPLEIHRNA-UHFFFAOYSA-N -1 0 333.307 2.701 50 0 EFAARM O=C(Nc1ccccc1O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001317874 471385016 /nfs/dbraw/zinc/38/50/16/471385016.db2.gz UUMOGUWGCJPSOM-UHFFFAOYSA-N -1 0 336.347 2.611 50 0 EFAARM Cc1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CCC4)nc1 ZINC000001303182 471385295 /nfs/dbraw/zinc/38/52/95/471385295.db2.gz QVYWGCQFLHXWCF-UHFFFAOYSA-N -1 0 335.363 2.609 50 0 EFAARM Nc1ccc(S(=O)(=O)[N-]c2nccc(-c3cccs3)n2)cc1 ZINC000001386171 471388780 /nfs/dbraw/zinc/38/87/80/471388780.db2.gz LTBQAXPDQPGDFW-UHFFFAOYSA-N -1 0 332.410 2.588 50 0 EFAARM O=C([O-])CCCn1cc(NC(=O)c2cc(F)c(F)cc2Cl)cn1 ZINC000001424802 471390627 /nfs/dbraw/zinc/39/06/27/471390627.db2.gz 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471473613 /nfs/dbraw/zinc/47/36/13/471473613.db2.gz SFJMFIJIVDHTTH-UHFFFAOYSA-N -1 0 335.381 2.568 50 0 EFAARM COc1cc(C(=O)Nc2cccc(C(=O)[O-])c2)ccc1OC(C)=O ZINC000004824719 471475092 /nfs/dbraw/zinc/47/50/92/471475092.db2.gz YDFMVDWXPFOUCV-UHFFFAOYSA-N -1 0 329.308 2.571 50 0 EFAARM COC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004904466 471479211 /nfs/dbraw/zinc/47/92/11/471479211.db2.gz FNDVHCVMFHSSRH-QWRGUYRKSA-N -1 0 337.397 2.757 50 0 EFAARM COc1cc(S(=O)(=O)[N-]c2cccc(C)n2)c(OC)cc1Cl ZINC000004970464 471481686 /nfs/dbraw/zinc/48/16/86/471481686.db2.gz MYORXHOYBAEKOX-UHFFFAOYSA-N -1 0 342.804 2.861 50 0 EFAARM CC(C)c1ccc(Cc2nnc(NCc3cccnc3)[n-]c2=O)cc1 ZINC000005154625 471488296 /nfs/dbraw/zinc/48/82/96/471488296.db2.gz JNGRAOPYFJSSBI-UHFFFAOYSA-N -1 0 335.411 2.886 50 0 EFAARM CC[C@H](Sc1nnc(NC(=O)NC2CCCCC2)s1)C(=O)[O-] ZINC000005253425 471494905 /nfs/dbraw/zinc/49/49/05/471494905.db2.gz KSGZNZDFJCCUNL-VIFPVBQESA-N -1 0 344.462 2.948 50 0 EFAARM O=C1N(CCc2ccccc2)C(c2ccccc2)=N[C@]1([O-])C(F)(F)F ZINC000005305596 471498971 /nfs/dbraw/zinc/49/89/71/471498971.db2.gz HILZQYRWKDVLGV-QGZVFWFLSA-N -1 0 348.324 2.769 50 0 EFAARM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccccc3F)ccc21 ZINC000005328994 471499829 /nfs/dbraw/zinc/49/98/29/471499829.db2.gz YZLWPMUKHZRCAL-UHFFFAOYSA-N -1 0 348.399 2.926 50 0 EFAARM CC(C)=CCC/C(C)=C\CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@H]3C1=O ZINC000005639198 471515195 /nfs/dbraw/zinc/51/51/95/471515195.db2.gz QUOGRGMWDHAAQO-UFEDKWCJSA-N -1 0 331.412 2.546 50 0 biogenic EFAARM Cc1ccc(-n2c(Cn3ncc4ccccc4c3=O)n[n-]c2=S)cc1 ZINC000005797409 471521032 /nfs/dbraw/zinc/52/10/32/471521032.db2.gz PRCMIDOWZXSBCE-UHFFFAOYSA-N -1 0 349.419 2.997 50 0 EFAARM CCOc1cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])ccc1OC ZINC000005906175 471525729 /nfs/dbraw/zinc/52/57/29/471525729.db2.gz ZYOWJENWAULGPS-JYRVWZFOSA-N -1 0 335.385 2.738 50 0 EFAARM COC(=O)[C@@H](C(F)(F)F)C(F)(F)Sc1c([O-])cc(C)oc1=O ZINC000006167499 471534145 /nfs/dbraw/zinc/53/41/45/471534145.db2.gz BIEJSUXKRKPABM-ZETCQYMHSA-N -1 0 348.245 2.690 50 0 EFAARM COc1ccc(/C=C/C(=O)[O-])cc1Cn1cc(Br)cn1 ZINC000006406576 471544932 /nfs/dbraw/zinc/54/49/32/471544932.db2.gz UMKOWEZMSWVOST-HWKANZROSA-N -1 0 337.173 2.800 50 0 EFAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000006553342 471550821 /nfs/dbraw/zinc/55/08/21/471550821.db2.gz BAIVHGLCVPPEEN-UHFFFAOYSA-N -1 0 345.207 2.893 50 0 EFAARM CCCCCCNC(C)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000006620725 471555270 /nfs/dbraw/zinc/55/52/70/471555270.db2.gz NJZJHFCOBJQVCP-FYWRMAATSA-N -1 0 335.448 2.841 50 0 EFAARM COC(=O)c1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1 ZINC000006699851 471561066 /nfs/dbraw/zinc/56/10/66/471561066.db2.gz OEEOUGAJCMQEHT-HUUCEWRRSA-N -1 0 331.368 2.859 50 0 EFAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000006706549 471562024 /nfs/dbraw/zinc/56/20/24/471562024.db2.gz WDJSGSDPRUMTDJ-UHFFFAOYSA-N -1 0 333.337 2.614 50 0 EFAARM Cc1sc(NC(=O)CCC(=O)[O-])c(C(=O)NC2CCCC2)c1C ZINC000006741512 471563994 /nfs/dbraw/zinc/56/39/94/471563994.db2.gz XSNUMDCVSFEUKU-UHFFFAOYSA-N -1 0 338.429 2.841 50 0 EFAARM CCOc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)OC)cc1 ZINC000006913913 471578329 /nfs/dbraw/zinc/57/83/29/471578329.db2.gz UUEWQHGEJPRMBQ-UHFFFAOYSA-N -1 0 341.410 2.734 50 0 EFAARM O=C(NC1CC1)c1ccccc1[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000007054335 471588384 /nfs/dbraw/zinc/58/83/84/471588384.db2.gz XGAWKELOEFYXPU-OUKQBFOZSA-N -1 0 342.420 2.991 50 0 EFAARM CN1c2ccc(S(=O)(=O)[N-]c3nccs3)c3cccc(c23)C1=O ZINC000008715487 471701740 /nfs/dbraw/zinc/70/17/40/471701740.db2.gz SCTTUVWRAGTQKO-UHFFFAOYSA-N -1 0 345.405 2.687 50 0 EFAARM COC(=O)Cc1cc(=O)n2[n-]c(C)c(-c3ccc(Cl)cc3)c2n1 ZINC000009041825 471709084 /nfs/dbraw/zinc/70/90/84/471709084.db2.gz VIFGYYNLCSBWJG-UHFFFAOYSA-N -1 0 331.759 2.779 50 0 EFAARM O=C1N(Cc2ccccc2)C(c2ccccc2)=N[C@]1([O-])C(F)(F)F ZINC000009184409 471712192 /nfs/dbraw/zinc/71/21/92/471712192.db2.gz GSEVUJLHGJQWJT-MRXNPFEDSA-N -1 0 334.297 2.727 50 0 EFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000009320666 471713623 /nfs/dbraw/zinc/71/36/23/471713623.db2.gz MEVOWMOAILGNHC-UHFFFAOYSA-N -1 0 329.374 2.783 50 0 EFAARM Cc1cc(C)n(-c2nc3sc4c(c3c(=O)[n-]2)CC(C)(C)OC4)n1 ZINC000009354168 471715546 /nfs/dbraw/zinc/71/55/46/471715546.db2.gz RBXSQQNDGQYTBW-UHFFFAOYSA-N -1 0 330.413 2.638 50 0 EFAARM CN1C(=O)Cc2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc21 ZINC000010063760 471726995 /nfs/dbraw/zinc/72/69/95/471726995.db2.gz BDMYGBNMMITHTG-UHFFFAOYSA-N -1 0 336.800 2.660 50 0 EFAARM CCOCCOc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000010325444 471733811 /nfs/dbraw/zinc/73/38/11/471733811.db2.gz XTWSALUWGUBDCD-CVEARBPZSA-N -1 0 335.400 2.931 50 0 EFAARM CCOc1c(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cccc1OC ZINC000011863162 471760404 /nfs/dbraw/zinc/76/04/04/471760404.db2.gz NAQJCMCIHLZYLS-ZIAGYGMSSA-N -1 0 335.400 2.601 50 0 EFAARM CCOc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1OC ZINC000011948115 471762467 /nfs/dbraw/zinc/76/24/67/471762467.db2.gz CYNKOBAXNTVUBW-KGLIPLIRSA-N -1 0 335.400 2.601 50 0 EFAARM COc1cccc2cc(-c3ccc(OCC(=O)[O-])cc3)c(=O)oc21 ZINC000012243706 471770426 /nfs/dbraw/zinc/77/04/26/471770426.db2.gz BPENHAICJUFLDS-UHFFFAOYSA-N -1 0 326.304 2.932 50 0 biogenic EFAARM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1 ZINC000012382904 471773157 /nfs/dbraw/zinc/77/31/57/471773157.db2.gz BXNUPZFWIVDSRL-UHFFFAOYSA-N -1 0 348.424 2.718 50 0 EFAARM O=C([O-])C1=Nc2ncnn2[C@@H](c2ccc(OCc3ccccc3)cc2)C1 ZINC000012408333 471774714 /nfs/dbraw/zinc/77/47/14/471774714.db2.gz PNOGIPHPVPAGTK-QGZVFWFLSA-N -1 0 348.362 2.841 50 0 EFAARM Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C(=O)[O-])CC2=O)cc1 ZINC000013261325 471823828 /nfs/dbraw/zinc/82/38/28/471823828.db2.gz MLDHDPXPMPQPFZ-ZDUSSCGKSA-N -1 0 338.363 2.685 50 0 EFAARM CCc1ccc(S(=O)(=O)[N-]C(=S)NC2CCCCC2)cc1 ZINC000013545197 471832730 /nfs/dbraw/zinc/83/27/30/471832730.db2.gz SQGQCQSJFMXUCB-UHFFFAOYSA-N -1 0 326.487 2.735 50 0 EFAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000014257110 471866594 /nfs/dbraw/zinc/86/65/94/471866594.db2.gz NJONNPMIBZQPQJ-UHFFFAOYSA-N -1 0 327.308 2.552 50 0 EFAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@H]1C(=O)[O-] ZINC000014632472 471876734 /nfs/dbraw/zinc/87/67/34/471876734.db2.gz UITCOYFXSDOVAC-STQMWFEESA-N -1 0 325.336 2.667 50 0 EFAARM O=C([O-])Cn1c2ccccc2nc1[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000015922068 471920794 /nfs/dbraw/zinc/92/07/94/471920794.db2.gz LRYQBHJISZZLHP-CYBMUJFWSA-N -1 0 341.411 2.770 50 0 EFAARM Cc1ccc(S(=O)(=O)Cc2nc3cc(C(=O)[O-])ccc3[nH]2)cc1 ZINC000016309129 471930322 /nfs/dbraw/zinc/93/03/22/471930322.db2.gz CHQGJRGAXDRBPT-UHFFFAOYSA-N -1 0 330.365 2.543 50 0 EFAARM CCOc1ccc(NS(=O)(=O)c2csc(C(=O)[O-])c2)cc1 ZINC000016622768 471943832 /nfs/dbraw/zinc/94/38/32/471943832.db2.gz BIGQSVYERNDLQA-UHFFFAOYSA-N -1 0 327.383 2.646 50 0 EFAARM Cn1c(SCc2ccc(C(=O)[O-])cc2)nnc1-c1ccncc1 ZINC000016755663 471949874 /nfs/dbraw/zinc/94/98/74/471949874.db2.gz LJQQDWVZZMCRFT-UHFFFAOYSA-N -1 0 326.381 2.868 50 0 EFAARM CC(=O)c1c([O-])cc(C)n(-c2ccc(OC(F)(F)F)cc2)c1=O ZINC000016769770 471950162 /nfs/dbraw/zinc/95/01/62/471950162.db2.gz HZBZTWGHMBXEJK-UHFFFAOYSA-N -1 0 327.258 2.953 50 0 EFAARM CC(C)c1cc(C(N)=O)c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000017071006 471955581 /nfs/dbraw/zinc/95/55/81/471955581.db2.gz RBGJUEMAKRIFQD-UWVGGRQHSA-N -1 0 338.429 2.800 50 0 EFAARM O=C(CSc1nc([O-])cc(=O)[nH]1)Nc1ccc(Cl)c(Cl)c1 ZINC000017072049 471956571 /nfs/dbraw/zinc/95/65/71/471956571.db2.gz UAMVIUJAEXSRFD-UHFFFAOYSA-N -1 0 346.195 2.513 50 0 EFAARM CCN1C(=O)Cc2cc([N-]S(=O)(=O)c3ccccc3F)ccc21 ZINC000017289049 471959843 /nfs/dbraw/zinc/95/98/43/471959843.db2.gz CZIMBVCCYHJGIG-UHFFFAOYSA-N -1 0 334.372 2.536 50 0 EFAARM CCCCn1c([O-])c(Cc2ccc(Cl)cc2Cl)c(=O)[nH]c1=O ZINC000018220049 471973256 /nfs/dbraw/zinc/97/32/56/471973256.db2.gz SWFCLVJRKSMHOP-UHFFFAOYSA-N -1 0 343.210 2.940 50 0 EFAARM CS(=O)(=O)C=C([O-])c1c(O)c2ccccc2n1-c1ccccc1 ZINC000039240055 472023200 /nfs/dbraw/zinc/02/32/00/472023200.db2.gz GUPZYVBSLKCLQK-UHFFFAOYSA-N -1 0 329.377 2.563 50 0 EFAARM CC[C@@H]1C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2C[C@H]1CC(=O)[O-] ZINC000039576592 472025959 /nfs/dbraw/zinc/02/59/59/472025959.db2.gz PKLKUABKQSLZLY-KCQAQPDRSA-N -1 0 347.411 2.650 50 0 EFAARM CC(=O)c1cn(CCC(=O)NCCCCCC(=O)[O-])c2ccccc12 ZINC000040313301 472030779 /nfs/dbraw/zinc/03/07/79/472030779.db2.gz DQFKCZUNISSVQB-UHFFFAOYSA-N -1 0 344.411 2.995 50 0 biogenic EFAARM COc1cccc(-c2nc(C)c(C(=O)N[C@H](C(=O)[O-])C(C)C)s2)c1 ZINC000040313261 472031102 /nfs/dbraw/zinc/03/11/02/472031102.db2.gz AWSLEOGKZBOYBB-ZDUSSCGKSA-N -1 0 348.424 2.966 50 0 biogenic EFAARM COc1ccc(Cl)cc1S(=O)(=O)Cc1ccc(C(=O)[O-])o1 ZINC000040478885 472032915 /nfs/dbraw/zinc/03/29/15/472032915.db2.gz UAMVAEQBUXNLHT-UHFFFAOYSA-N -1 0 330.745 2.614 50 0 EFAARM O=C([O-])[C@@H](Cc1ccco1)n1ccnc1-c1ccc2c(c1)OCCO2 ZINC000067642041 472064129 /nfs/dbraw/zinc/06/41/29/472064129.db2.gz BXRMHPFORDOPPH-CQSZACIVSA-N -1 0 340.335 2.783 50 0 EFAARM Cc1ccc(-n2c(Cc3cccnc3)nnc2SCC(=O)[O-])cc1 ZINC000067946961 472113167 /nfs/dbraw/zinc/11/31/67/472113167.db2.gz YQTHCCTZOHBVFG-UHFFFAOYSA-N -1 0 340.408 2.738 50 0 EFAARM Cc1cc(C)nc(SCc2c(C(=O)[O-])nnn2-c2ccccc2)n1 ZINC000026421872 472136423 /nfs/dbraw/zinc/13/64/23/472136423.db2.gz LLUOTSRXEYAXKM-UHFFFAOYSA-N -1 0 341.396 2.665 50 0 EFAARM CCOc1cccc2c1OCC(C(=O)NC1(C(=O)[O-])CCCCC1)=C2 ZINC000084810970 472220744 /nfs/dbraw/zinc/22/07/44/472220744.db2.gz ZBAROGHTZRCLGO-UHFFFAOYSA-N -1 0 345.395 2.765 50 0 EFAARM O=C([O-])[C@H]1[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H]2CC[C@@H]1O2 ZINC000085389798 472241003 /nfs/dbraw/zinc/24/10/03/472241003.db2.gz TUYRIFLYKDPQGQ-NOOOWODRSA-N -1 0 330.167 2.810 50 0 EFAARM O=C([O-])CCC(=O)NCCC(=O)N(c1ccccc1)c1ccccc1 ZINC000085430385 472247069 /nfs/dbraw/zinc/24/70/69/472247069.db2.gz BEUBPEQXBHOLDZ-UHFFFAOYSA-N -1 0 340.379 2.722 50 0 EFAARM COCCN(Cc1ccccc1F)C(=O)c1ccc(C(=O)[O-])s1 ZINC000097360121 472492451 /nfs/dbraw/zinc/49/24/51/472492451.db2.gz DVZHLCNCESBUMA-UHFFFAOYSA-N -1 0 337.372 2.874 50 0 EFAARM O=C(C=C([O-])c1ccc(I)cc1)C(F)(F)F ZINC000100319050 472527339 /nfs/dbraw/zinc/52/73/39/472527339.db2.gz WQZPOILFJNUXJE-UHFFFAOYSA-N -1 0 342.054 2.995 50 0 EFAARM CCOCCCn1c(=O)c2cc(Br)ccc2[n-]c1=S ZINC000100458782 472527641 /nfs/dbraw/zinc/52/76/41/472527641.db2.gz UJGQBRZNELVHRF-UHFFFAOYSA-N -1 0 343.246 2.874 50 0 EFAARM COc1ccc(C(=O)C=C([O-])c2ccc(OC)c(OC)c2)c(O)c1 ZINC000100833271 472529191 /nfs/dbraw/zinc/52/91/91/472529191.db2.gz ZKYZUTAFOYFZEH-UHFFFAOYSA-N -1 0 330.336 2.874 50 0 biogenic EFAARM O=C([O-])C1(O)CCN(c2ccnc3c2cccc3C(F)(F)F)CC1 ZINC000071763836 472563056 /nfs/dbraw/zinc/56/30/56/472563056.db2.gz CAYIKMSAJVKSKE-UHFFFAOYSA-N -1 0 340.301 2.670 50 0 EFAARM CC(C)=CC[C@]1(C(=O)[O-])CCCN(C(=O)C2(Cn3cccn3)CC2)C1 ZINC000091425393 472764067 /nfs/dbraw/zinc/76/40/67/472764067.db2.gz RNQBDXBJAMARFD-LJQANCHMSA-N -1 0 345.443 2.713 50 0 EFAARM Cc1cc(NCCCN2CCCC2=O)nc(-c2ccccc2[O-])n1 ZINC000091444656 472766781 /nfs/dbraw/zinc/76/67/81/472766781.db2.gz JZBRADQWSYUDRA-UHFFFAOYSA-N -1 0 326.400 2.582 50 0 EFAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(Cl)ccc2F)C1 ZINC000091452758 472767386 /nfs/dbraw/zinc/76/73/86/472767386.db2.gz PBXFKQLDOBKWSS-MRXNPFEDSA-N -1 0 343.782 2.823 50 0 EFAARM COc1ccc(C2(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C(C)C)C3)CC2)cc1 ZINC000091518766 472774586 /nfs/dbraw/zinc/77/45/86/472774586.db2.gz LEPZOKWMMGCSAY-JKSUJKDBSA-N -1 0 331.412 2.542 50 0 EFAARM Cc1cc(NCc2cn3cccnc3n2)nc(-c2ccccc2[O-])n1 ZINC000091536123 472775508 /nfs/dbraw/zinc/77/55/08/472775508.db2.gz IYXPQVAANGACOT-UHFFFAOYSA-N -1 0 332.367 2.812 50 0 EFAARM Cc1ccc2nc(C(=O)N3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)cn2c1 ZINC000091656164 472790077 /nfs/dbraw/zinc/79/00/77/472790077.db2.gz SWZHINIXQXRRRN-JKSUJKDBSA-N -1 0 349.390 2.583 50 0 EFAARM CCCn1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(C)n1 ZINC000091933380 472828751 /nfs/dbraw/zinc/82/87/51/472828751.db2.gz XBIWQOMPTVMVMQ-DLBZAZTESA-N -1 0 341.411 2.542 50 0 EFAARM COCC1(C(=O)N2CC[C@H](Cc3cccc(C(=O)[O-])c3)C2)CCC1 ZINC000091943528 472830341 /nfs/dbraw/zinc/83/03/41/472830341.db2.gz RJTHVQSKPMEQOE-OAHLLOKOSA-N -1 0 331.412 2.593 50 0 EFAARM Cc1cc(NCCC(=O)N2CCCC2)nc(-c2ccccc2[O-])n1 ZINC000092099363 472858835 /nfs/dbraw/zinc/85/88/35/472858835.db2.gz AZIIDYKZJCQGPR-UHFFFAOYSA-N -1 0 326.400 2.582 50 0 EFAARM COc1ccccc1CNC(=O)c1csc([N-]c2ncccn2)n1 ZINC000049032168 472927074 /nfs/dbraw/zinc/92/70/74/472927074.db2.gz BLSJFACFFXMKEW-UHFFFAOYSA-N -1 0 341.396 2.615 50 0 EFAARM O=C(CSc1nc(=O)c2sccc2[n-]1)NCc1ccc(F)cc1 ZINC000051317248 473041318 /nfs/dbraw/zinc/04/13/18/473041318.db2.gz NMMKTOBZNWAFAP-UHFFFAOYSA-N -1 0 349.412 2.532 50 0 EFAARM CN(C(=O)CSc1nc(=O)c2sccc2[n-]1)c1ccccc1 ZINC000051317186 473041656 /nfs/dbraw/zinc/04/16/56/473041656.db2.gz QZFGCCYIWWKHHV-UHFFFAOYSA-N -1 0 331.422 2.740 50 0 EFAARM Cc1ccn(CCC(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)n1 ZINC000095357231 473190346 /nfs/dbraw/zinc/19/03/46/473190346.db2.gz VBWYDLNFZCIWKR-KRWDZBQOSA-N -1 0 341.411 2.686 50 0 EFAARM COCc1cc(CN(C)[C@H](C(=O)[O-])c2ccccc2SC)[nH]n1 ZINC000095363225 473190705 /nfs/dbraw/zinc/19/07/05/473190705.db2.gz XLMRWPBNLKJHIK-HNNXBMFYSA-N -1 0 335.429 2.536 50 0 EFAARM COc1ccc(F)c([C@H](C(=O)[O-])N(C)Cc2nc(C(C)C)no2)c1 ZINC000095380086 473193003 /nfs/dbraw/zinc/19/30/03/473193003.db2.gz OEUSFUMSXHMXPN-CQSZACIVSA-N -1 0 337.351 2.598 50 0 EFAARM COc1c(F)cc(F)cc1[C@H](C(=O)[O-])N(C)Cc1c(C)n[nH]c1C ZINC000095380171 473193615 /nfs/dbraw/zinc/19/36/15/473193615.db2.gz OCSSVNZDLSKGJF-CQSZACIVSA-N -1 0 339.342 2.571 50 0 EFAARM COc1ccc([C@H](C(=O)[O-])N(C)Cc2c(C)nn(C)c2C)cc1C ZINC000095385268 473194001 /nfs/dbraw/zinc/19/40/01/473194001.db2.gz UIIGWSGAIWUTON-QGZVFWFLSA-N -1 0 331.416 2.612 50 0 EFAARM CC(C)n1cnnc1CN1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095387261 473194050 /nfs/dbraw/zinc/19/40/50/473194050.db2.gz XYBABNKPQJBROS-INIZCTEOSA-N -1 0 328.416 2.937 50 0 EFAARM COc1ccc(F)c([C@H](C(=O)[O-])N(C)Cc2cc(C3CC3)n[nH]2)c1 ZINC000095386596 473194074 /nfs/dbraw/zinc/19/40/74/473194074.db2.gz SWEYHEYUWUXNCK-MRXNPFEDSA-N -1 0 333.363 2.693 50 0 EFAARM C[C@H](c1cn2ccsc2n1)n1cc(-c2ccccc2C(=O)[O-])nn1 ZINC000095391921 473195890 /nfs/dbraw/zinc/19/58/90/473195890.db2.gz GPHBLGXNLAGMBD-SNVBAGLBSA-N -1 0 339.380 2.962 50 0 EFAARM O=C([O-])[C@@H]1CCC[C@@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3[C@@H](O)[C@H]12 ZINC000169301718 473547746 /nfs/dbraw/zinc/54/77/46/473547746.db2.gz FAJGWXJPBTUEOP-CVTSSLSISA-N -1 0 340.423 2.559 50 0 EFAARM CCCC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000170623878 473567992 /nfs/dbraw/zinc/56/79/92/473567992.db2.gz LJNGTDKTAQJAFI-NSHDSACASA-N -1 0 339.335 2.627 50 0 EFAARM CC(C)Oc1ccc2ccccc2c1CN1CCOC[C@@H]1C(=O)[O-] ZINC000215367700 474137466 /nfs/dbraw/zinc/13/74/66/474137466.db2.gz OGPWLYICEXRDGU-QGZVFWFLSA-N -1 0 329.396 2.912 50 0 EFAARM Cc1nc2c(s1)CCC[C@H]2NC(=O)c1cc(CC(C)C)nc(=O)[nH]1 ZINC000220225391 474152856 /nfs/dbraw/zinc/15/28/56/474152856.db2.gz HFICIFLCJQUEFG-GFCCVEGCSA-N -1 0 346.456 2.541 50 0 EFAARM O=S(=O)([N-]c1cnc2ccnn2c1)c1ccc(C(F)(F)F)cc1 ZINC000225576046 474226515 /nfs/dbraw/zinc/22/65/15/474226515.db2.gz UVSITUNBEUTYAH-UHFFFAOYSA-N -1 0 342.302 2.549 50 0 EFAARM Cn1cc(C(=O)[O-])c([C@@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 ZINC000238855609 474543003 /nfs/dbraw/zinc/54/30/03/474543003.db2.gz SGANCOBZEIXPKJ-CQSZACIVSA-N -1 0 343.383 2.635 50 0 EFAARM C[C@]1(c2ccccc2)N(Cc2ccccc2)C(=O)CO[C@]1(C)C(=O)[O-] ZINC000257173303 474925763 /nfs/dbraw/zinc/92/57/63/474925763.db2.gz JCRPTRKYFBZJCL-WOJBJXKFSA-N -1 0 339.391 2.804 50 0 EFAARM CCC[C@@]1(C(=O)[O-])CCCN1C(=O)c1ccncc1Br ZINC000395846646 476844994 /nfs/dbraw/zinc/84/49/94/476844994.db2.gz JGVXNUOKUAJINB-AWEZNQCLSA-N -1 0 341.205 2.704 50 0 EFAARM COCc1nc(NC(=O)CC2(Cn3cccc3)CCCCC2)n[nH]1 ZINC000409413073 476983434 /nfs/dbraw/zinc/98/34/34/476983434.db2.gz BKLHWNDMDNSYAG-UHFFFAOYSA-N -1 0 331.420 2.732 50 0 EFAARM Cc1cc(C(=O)[O-])nc(-c2ccc([C@@H](C)N3CCOCC3)cc2)n1 ZINC000534592245 478162635 /nfs/dbraw/zinc/16/26/35/478162635.db2.gz SXAYDQZWPJPXEW-CYBMUJFWSA-N -1 0 327.384 2.543 50 0 EFAARM O=C([O-])c1cccc(N2CCC3(CC2)OCCc2ccsc23)n1 ZINC000570065838 478277856 /nfs/dbraw/zinc/27/78/56/478277856.db2.gz WDUXEDLWVNPWHV-UHFFFAOYSA-N -1 0 330.409 2.910 50 0 EFAARM Cc1ccc(S(=O)(=O)n2ccc3cc(CC(=O)[O-])ccc32)cc1 ZINC000526059811 478401949 /nfs/dbraw/zinc/40/19/49/478401949.db2.gz NDBZMKNLZGVVGE-UHFFFAOYSA-N -1 0 329.377 2.814 50 0 EFAARM O=C([O-])c1ccc(CCNC(=O)[C@@H]2CCCc3c(O)cccc32)cc1 ZINC000585134269 479295588 /nfs/dbraw/zinc/29/55/88/479295588.db2.gz KIHGTLKSJTXZQJ-QGZVFWFLSA-N -1 0 339.391 2.869 50 0 EFAARM O=C([O-])c1cc(OCC2CCC2)cc(C(=O)N[C@H]2CC[C@H](O)CC2)c1 ZINC000244758086 526353584 /nfs/dbraw/zinc/35/35/84/526353584.db2.gz OSDBMBIDRKZJLM-WKILWMFISA-N -1 0 347.411 2.597 50 0 EFAARM CCCC[C@H](CC(=O)[O-])NC(=O)N1CC(Oc2ccc(F)cc2)C1 ZINC000426421839 534979236 /nfs/dbraw/zinc/97/92/36/534979236.db2.gz KUVYDTNMMACRJS-CYBMUJFWSA-N -1 0 338.379 2.632 50 0 EFAARM CC(C)[C@@H](C(=O)NCCc1nc(C(=O)[O-])cs1)c1ccccc1 ZINC000221213347 535135346 /nfs/dbraw/zinc/13/53/46/535135346.db2.gz JXAVEXKDBJTVNY-OAHLLOKOSA-N -1 0 332.425 2.940 50 0 EFAARM COCC(=O)c1cnc([N-]c2ncc(-c3ccccc3)s2)nc1O ZINC000253537454 536775559 /nfs/dbraw/zinc/77/55/59/536775559.db2.gz AEFICKYNBWPRSD-UHFFFAOYSA-N -1 0 342.380 2.878 50 0 EFAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000685940258 550197047 /nfs/dbraw/zinc/19/70/47/550197047.db2.gz ATUPWBSVDKCLGX-AEJSXWLSSA-N -1 0 344.230 2.690 50 0 EFAARM Cc1cccc(Cl)c1NC(=O)N1C[C@@H]2COCC[C@]2(C(=O)[O-])C1 ZINC001772709576 1249296546 /nfs/dbraw/zinc/29/65/46/1249296546.db2.gz KRVLDOODUJJMSK-BZNIZROVSA-N -1 0 338.791 2.603 50 0 EFAARM CC[C@@H](C)[C@@H](NC(=O)CCn1cc(C(C)=O)c2ccccc21)C(=O)[O-] ZINC000206412133 1249462434 /nfs/dbraw/zinc/46/24/34/1249462434.db2.gz JAESXZNGXKCZFC-KZULUSFZSA-N -1 0 344.411 2.850 50 0 EFAARM COc1nc(C)c([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)c(C)n1 ZINC000585436169 1281869094 /nfs/dbraw/zinc/86/90/94/1281869094.db2.gz WKFWUXRQXGUVNT-UHFFFAOYSA-N -1 0 341.820 2.865 50 0 EFAARM CCc1nc(-c2n[nH]c(CC)c2C)n(-c2ccc(C(=O)[O-])cc2)n1 ZINC000952986036 1284987141 /nfs/dbraw/zinc/98/71/41/1284987141.db2.gz WBJNQPODUMTFJZ-UHFFFAOYSA-N -1 0 325.372 2.789 50 0 EFAARM CCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@H](C(=O)[O-])[C@@H](C)CC ZINC000016041960 1312818714 /nfs/dbraw/zinc/81/87/14/1312818714.db2.gz MTYHBWBJOZPTDY-QFYYESIMSA-N -1 0 333.384 2.650 50 0 EFAARM Cc1cc(C)n([C@H]2CCN(c3nc4c(cc3C(=O)[O-])CCC4)C2)n1 ZINC000096141873 1292777060 /nfs/dbraw/zinc/77/70/60/1292777060.db2.gz XLYXASAEMKNFJB-AWEZNQCLSA-N -1 0 326.400 2.533 50 0 EFAARM Cc1ccc([C@H](C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)N(C)C)cc1 ZINC000254843688 1300727790 /nfs/dbraw/zinc/72/77/90/1300727790.db2.gz JESYHPFJSDLYPW-DJIMGWMZSA-N -1 0 332.444 2.605 50 0 EFAARM Cc1ccc([C@@H](C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)N(C)C)cc1 ZINC000254843689 1300728335 /nfs/dbraw/zinc/72/83/35/1300728335.db2.gz JESYHPFJSDLYPW-XIRDDKMYSA-N -1 0 332.444 2.605 50 0 EFAARM COc1ccccc1NC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000121059221 1303638061 /nfs/dbraw/zinc/63/80/61/1303638061.db2.gz HFRTVSFTKVQJFC-UHFFFAOYSA-N -1 0 341.392 2.706 50 0 EFAARM COCCN(Cc1nccs1)[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000055052732 1314825963 /nfs/dbraw/zinc/82/59/63/1314825963.db2.gz WWBPVJIRUOTKJG-HNNXBMFYSA-N -1 0 338.404 2.865 50 0 EFAARM Cc1nn(-c2ccc(F)cc2)c(C)c1CNc1cnc(C(=O)[O-])cn1 ZINC001506397221 1405749908 /nfs/dbraw/zinc/74/99/08/1405749908.db2.gz ACKPLKNJOGUOCW-UHFFFAOYSA-N -1 0 341.346 2.729 50 0 EFAARM COc1ccc(C)cc1[C@H](C(=O)[O-])N(C)Cc1ccc2nonc2c1 ZINC001506404507 1405752823 /nfs/dbraw/zinc/75/28/23/1405752823.db2.gz UXNFESSGTQATIO-QGZVFWFLSA-N -1 0 341.367 2.798 50 0 EFAARM Cc1sc2ccccc2c1C[N@@H+]1C[C@@]2(C(=O)[O-])C[C@@]2(C(=O)[O-])C1 ZINC001704315938 1417905719 /nfs/dbraw/zinc/90/57/19/1417905719.db2.gz RXHGBVOJEBMXIX-CALCHBBNSA-N -1 0 331.393 2.571 50 0 EFAARM COc1ccc(NC(=O)[C@@H](C(C)C)n2cccc2)cc1-c1nn[n-]n1 ZINC000263587297 1423370695 /nfs/dbraw/zinc/37/06/95/1423370695.db2.gz FHJXTWYDLNRASH-OAHLLOKOSA-N -1 0 340.387 2.513 50 0 EFAARM CN(Cc1cccc2ncccc12)C(=O)c1ccccc1-c1nn[n-]n1 ZINC000072426817 1423467534 /nfs/dbraw/zinc/46/75/34/1423467534.db2.gz GNRHGLGZZKHQTP-UHFFFAOYSA-N -1 0 344.378 2.687 50 0 EFAARM COc1ccc(-c2c(C)nn(-c3nn[n-]n3)c2C)c2ccc(C)nc12 ZINC000067677150 1423796245 /nfs/dbraw/zinc/79/62/45/1423796245.db2.gz QYMOHASPCLHXKV-UHFFFAOYSA-N -1 0 335.371 2.534 50 0 EFAARM CCc1ccc(-c2nccn2-c2ccc(Oc3nn[n-]n3)cc2)nc1 ZINC000072144674 1424738566 /nfs/dbraw/zinc/73/85/66/1424738566.db2.gz DZXGGHJNVWEADM-UHFFFAOYSA-N -1 0 333.355 2.802 50 0 EFAARM Cc1cc(C(=O)NCCCc2nn[n-]n2)sc1-c1ccccc1 ZINC000426683918 1446906289 /nfs/dbraw/zinc/90/62/89/1446906289.db2.gz QBUDQTUZSZOAQS-UHFFFAOYSA-N -1 0 327.413 2.599 50 0 EFAARM CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000215565043 1449838922 /nfs/dbraw/zinc/83/89/22/1449838922.db2.gz ZLGPPIVQNQREAW-UHFFFAOYSA-N -1 0 325.420 2.519 50 0 EFAARM CCc1ncc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cn1 ZINC000095496764 717543398 /nfs/dbraw/zinc/54/33/98/717543398.db2.gz WOOZFXCAWUJUNH-ZDUSSCGKSA-N -1 0 333.775 2.638 50 0 EFAARM O=C([O-])CN(c1ccccc1)[C@@H]1SC(=O)N(c2ccccc2)C1=O ZINC000004734385 210264717 /nfs/dbraw/zinc/26/47/17/210264717.db2.gz JGRQYXRSELUWFR-MRXNPFEDSA-N -1 0 342.376 2.804 50 0 EFAARM O=C([O-])COc1ccc(-c2nnn(Cc3ccccc3Cl)n2)cc1 ZINC000004727785 210261796 /nfs/dbraw/zinc/26/17/96/210261796.db2.gz PAEOSGCEFKKLNO-UHFFFAOYSA-N -1 0 344.758 2.505 50 0 EFAARM CC(C)c1cc(-c2nc(Cc3cccs3)nn2CC(=O)[O-])no1 ZINC000097711806 219049275 /nfs/dbraw/zinc/04/92/75/219049275.db2.gz AMORYBNNJKWDFV-UHFFFAOYSA-N -1 0 332.385 2.793 50 0 EFAARM C[C@@H](C(=O)[O-])N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000004703673 210252852 /nfs/dbraw/zinc/25/28/52/210252852.db2.gz OQLREDZXXMDXOE-LBPRGKRZSA-N -1 0 335.381 2.718 50 0 EFAARM CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000055053289 214268166 /nfs/dbraw/zinc/26/81/66/214268166.db2.gz KKAGQWVFUQYKAK-UHFFFAOYSA-N -1 0 338.791 2.625 50 0 EFAARM C[C@@H](CCc1ccccc1)NC(=O)c1cccc(NCC(=O)[O-])c1 ZINC000055393624 214318618 /nfs/dbraw/zinc/31/86/18/214318618.db2.gz ZCXHNWWIAZFKER-AWEZNQCLSA-N -1 0 326.396 2.934 50 0 EFAARM CCc1noc(CN(CC)[C@@H](C(=O)[O-])c2cc(C)ccc2OC)n1 ZINC000055414988 214322187 /nfs/dbraw/zinc/32/21/87/214322187.db2.gz UZXBBDGTMJRBPX-MRXNPFEDSA-N -1 0 333.388 2.597 50 0 EFAARM COc1cc(F)c(-c2nc(-c3ccco3)nn2CC(=O)[O-])c(F)c1 ZINC000097784968 219057086 /nfs/dbraw/zinc/05/70/86/219057086.db2.gz BEWLITVZPNMSPI-UHFFFAOYSA-N -1 0 335.266 2.577 50 0 EFAARM O=C([O-])Cn1nc(-c2ccncc2)nc1-c1ccc(Cl)cc1F ZINC000097819491 219058522 /nfs/dbraw/zinc/05/85/22/219058522.db2.gz DCDATUPHKHDQSD-UHFFFAOYSA-N -1 0 332.722 2.884 50 0 EFAARM Cc1ccc(CN(CC(=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000004679905 210246766 /nfs/dbraw/zinc/24/67/66/210246766.db2.gz OROVTOGCSHOTNV-UHFFFAOYSA-N -1 0 333.409 2.579 50 0 EFAARM COc1ccc(Cl)cc1-n1nnc(C(=O)[O-])c1-c1ccncc1 ZINC000057509286 214434423 /nfs/dbraw/zinc/43/44/23/214434423.db2.gz UBWSSEOZEGGCAU-UHFFFAOYSA-N -1 0 330.731 2.690 50 0 EFAARM O=C([O-])C1CCC(CNS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000004668539 210242028 /nfs/dbraw/zinc/24/20/28/210242028.db2.gz QSAMXYYSGGMNTJ-UHFFFAOYSA-N -1 0 331.821 2.509 50 0 EFAARM CCc1cc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)ccc1OC ZINC000004626596 210235750 /nfs/dbraw/zinc/23/57/50/210235750.db2.gz YXDILVMWQJYLKQ-UHFFFAOYSA-N -1 0 331.397 2.935 50 0 EFAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c1 ZINC000004626597 210235583 /nfs/dbraw/zinc/23/55/83/210235583.db2.gz CKSVLXSXNZLSRL-UHFFFAOYSA-N -1 0 331.397 2.935 50 0 EFAARM COC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCCCC2 ZINC000004614224 210232548 /nfs/dbraw/zinc/23/25/48/210232548.db2.gz GWXJMNNGPXXNDK-UHFFFAOYSA-N -1 0 339.413 2.997 50 0 EFAARM COc1ccc(-c2nc(C)c(C(=O)NCCCC(=O)[O-])s2)cc1 ZINC000049547741 214017803 /nfs/dbraw/zinc/01/78/03/214017803.db2.gz UUDAVVFIBNEQKQ-UHFFFAOYSA-N -1 0 334.397 2.722 50 0 EFAARM CC(C)(C)n1ncc2c1NC(=O)C[C@@H]2c1ccccc1OCC(=O)[O-] ZINC000049548724 214017648 /nfs/dbraw/zinc/01/76/48/214017648.db2.gz ULSRKVYLKWJQKR-GFCCVEGCSA-N -1 0 343.383 2.576 50 0 EFAARM COc1ccc([C@@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2C)cc1OC ZINC000004563113 210222325 /nfs/dbraw/zinc/22/23/25/210222325.db2.gz XUQJNDQSMMLBJS-IAGOWNOFSA-N -1 0 341.363 2.699 50 0 EFAARM COc1cc([O-])c2c(=O)c(O)c([C@H]3CC=C(OC)C(=O)C3)oc2c1 ZINC000100057276 219089887 /nfs/dbraw/zinc/08/98/87/219089887.db2.gz OIZRJFXNIACEIR-QMMMGPOBSA-N -1 0 332.308 2.672 50 0 EFAARM C[C@H](NC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3)c1ccccc1 ZINC000100331700 219096694 /nfs/dbraw/zinc/09/66/94/219096694.db2.gz UVILXWZMEDEBBV-LBPRGKRZSA-N -1 0 334.375 2.754 50 0 biogenic EFAARM COc1ccccc1-n1c([O-])cc(=O)n(-c2ccccc2OC)c1=O ZINC000100414824 219098433 /nfs/dbraw/zinc/09/84/33/219098433.db2.gz WFUYPGVWLPYXHS-UHFFFAOYSA-N -1 0 340.335 2.594 50 0 EFAARM CCn1c2ccccc2c([O-])c(C(=O)NCCc2ccccc2)c1=O ZINC000100485725 219100445 /nfs/dbraw/zinc/10/04/45/219100445.db2.gz IWXNNPUCLUSHLO-UHFFFAOYSA-N -1 0 336.391 2.700 50 0 EFAARM O=c1c2[n-][nH]n(Cc3cccc(Cl)c3)c=2c(=O)n1-c1ccccc1 ZINC000004483587 210199421 /nfs/dbraw/zinc/19/94/21/210199421.db2.gz PTSFIWKTNVDUKK-CABCVRRESA-N -1 0 340.770 2.833 50 0 EFAARM O=C(NCc1ccccc1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100662778 219104489 /nfs/dbraw/zinc/10/44/89/219104489.db2.gz ZQKLRAAXEKBSFT-UHFFFAOYSA-N -1 0 334.375 2.583 50 0 EFAARM COc1cccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)c1 ZINC000100662961 219104516 /nfs/dbraw/zinc/10/45/16/219104516.db2.gz MRNSHCLETLFAIT-UHFFFAOYSA-N -1 0 336.347 2.524 50 0 biogenic EFAARM CCn1nc(C)c2[n-]c(=S)n(Cc3ccccc3OC)c(=O)c21 ZINC000101151738 219117999 /nfs/dbraw/zinc/11/79/99/219117999.db2.gz PBJWOOJMOVOJNU-UHFFFAOYSA-N -1 0 330.413 2.641 50 0 EFAARM O=c1c2[n-][nH]n(-c3ccc(F)cc3)c=2c(=O)n1-c1cccc(Cl)c1 ZINC000101277733 219121805 /nfs/dbraw/zinc/12/18/05/219121805.db2.gz OERRKNSIEISAOU-KGLIPLIRSA-N -1 0 344.733 2.977 50 0 EFAARM O=C(CSC1=Nc2ccccc2S(=O)(=O)[N-]1)c1ccccc1 ZINC000004329644 210172322 /nfs/dbraw/zinc/17/23/22/210172322.db2.gz MATNHILGDSAOGC-UHFFFAOYSA-N -1 0 332.406 2.773 50 0 EFAARM O=C1[C@@H]2ON=C(c3ccccc3Cl)[C@@H]2C(=O)N1c1ccccc1 ZINC000101495658 219129351 /nfs/dbraw/zinc/12/93/51/219129351.db2.gz SWZDYYPHQMNDCA-DZGCQCFKSA-N -1 0 326.739 2.633 50 0 EFAARM Cc1ccc(S(=O)(=O)N(OCc2ccccc2)[C@@H](C)C(=O)[O-])cc1 ZINC000004168093 210138128 /nfs/dbraw/zinc/13/81/28/210138128.db2.gz NGWLPKJJODJYLG-AWEZNQCLSA-N -1 0 349.408 2.591 50 0 EFAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccccc2Cl)cc1 ZINC000003855930 210080996 /nfs/dbraw/zinc/08/09/96/210080996.db2.gz HIYIQDTVQNZMSU-UHFFFAOYSA-N -1 0 339.800 2.928 50 0 EFAARM O=C([O-])CCN1C(=O)S[C@H](Nc2cccc3ccccc32)C1=O ZINC000003635909 210068596 /nfs/dbraw/zinc/06/85/96/210068596.db2.gz LSNHATUUMMMACX-AWEZNQCLSA-N -1 0 330.365 2.748 50 0 EFAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)COc2ccccc2)cc1 ZINC000003626914 210068232 /nfs/dbraw/zinc/06/82/32/210068232.db2.gz HGYLESYFPTZSTL-KRWDZBQOSA-N -1 0 343.379 2.796 50 0 EFAARM COc1ccc(-c2c[n-]n3c2nc2c(c3=O)CCCC2)cc1OC ZINC000102579658 219211627 /nfs/dbraw/zinc/21/16/27/219211627.db2.gz JXIMSLUYYKRSTH-UHFFFAOYSA-N -1 0 325.368 2.998 50 0 EFAARM CC(C)(C)OC(=O)N1CCC[C@H](C(=O)[O-])N1C(=O)OC(C)(C)C ZINC000044670717 213641102 /nfs/dbraw/zinc/64/11/02/213641102.db2.gz MLXHSDCSBUGOLZ-SNVBAGLBSA-N -1 0 330.381 2.623 50 0 EFAARM O=C([O-])c1ccc(Nc2nn3c(nc4ccccc4c3=O)s2)cc1 ZINC000067172638 215120319 /nfs/dbraw/zinc/12/03/19/215120319.db2.gz ACTCYKABGLKCCC-UHFFFAOYSA-N -1 0 338.348 2.746 50 0 EFAARM CN(c1ccsc1C(=O)[O-])S(=O)(=O)c1cccc(Cl)c1 ZINC000067172490 215120382 /nfs/dbraw/zinc/12/03/82/215120382.db2.gz HZMHZSNRDLGEJX-UHFFFAOYSA-N -1 0 331.802 2.925 50 0 EFAARM Cc1nnc2c(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)cccn12 ZINC000067172403 215120872 /nfs/dbraw/zinc/12/08/72/215120872.db2.gz DIEYBFNKORJNIN-UHFFFAOYSA-N -1 0 330.413 2.962 50 0 EFAARM CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000067801052 215215307 /nfs/dbraw/zinc/21/53/07/215215307.db2.gz ZAEOYOMTHYWEKD-UHFFFAOYSA-N -1 0 348.399 2.514 50 0 EFAARM CC(C)C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000002861045 209929122 /nfs/dbraw/zinc/92/91/22/209929122.db2.gz KIHKHDNNXJYSLK-CQSZACIVSA-N -1 0 327.446 2.762 50 0 EFAARM Cc1c(C(=O)[O-])sc2ncnc(N[C@H](C)Cc3cnccn3)c12 ZINC000067983376 215267744 /nfs/dbraw/zinc/26/77/44/215267744.db2.gz TWOZQYCAUNLWCW-MRVPVSSYSA-N -1 0 329.385 2.531 50 0 EFAARM O=C([O-])C1(Oc2ccccc2)CCN(C(=O)NC2CCCC2)CC1 ZINC000072469761 304034824 /nfs/dbraw/zinc/03/48/24/304034824.db2.gz CBGOINYIEQXBLE-UHFFFAOYSA-N -1 0 332.400 2.637 50 0 EFAARM CCOc1ccccc1N(Cc1ccc(C(=O)[O-])cc1)S(C)(=O)=O ZINC000039404052 213235613 /nfs/dbraw/zinc/23/56/13/213235613.db2.gz WQJGFIOLHLHLNJ-UHFFFAOYSA-N -1 0 349.408 2.750 50 0 EFAARM 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O=C(CSc1nnc(Cc2ccccc2)c(=O)[n-]1)c1ccccc1 ZINC000019897643 212081107 /nfs/dbraw/zinc/08/11/07/212081107.db2.gz DAPKXKXKDGTQMC-UHFFFAOYSA-N -1 0 337.404 2.731 50 0 EFAARM O=C([O-])Cn1c2ccccc2nc1[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000015922067 211869318 /nfs/dbraw/zinc/86/93/18/211869318.db2.gz LRYQBHJISZZLHP-ZDUSSCGKSA-N -1 0 341.411 2.770 50 0 EFAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2cc(-c3ccccc3F)no2)C1 ZINC000426571528 247291891 /nfs/dbraw/zinc/29/18/91/247291891.db2.gz AENUBCZUUGNQDS-WDEREUQCSA-N -1 0 332.331 2.598 50 0 EFAARM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccc(Cl)cc2)s1 ZINC000012379804 211361238 /nfs/dbraw/zinc/36/12/38/211361238.db2.gz BIXNFONRSMCFKV-UHFFFAOYSA-N -1 0 331.806 2.556 50 0 EFAARM CCN(CC)C(=O)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000012403809 211369455 /nfs/dbraw/zinc/36/94/55/211369455.db2.gz INJPEKRSUUKNGB-HOTGVXAUSA-N -1 0 346.427 2.998 50 0 EFAARM CCCCn1nc2c(c1C)c(C(F)F)cc(=O)n2CCC(=O)[O-] ZINC000012398053 211367421 /nfs/dbraw/zinc/36/74/21/211367421.db2.gz 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2.593 50 0 EFAARM Cn1cnc2cc(C(=O)N3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)ccc21 ZINC000091943684 218092750 /nfs/dbraw/zinc/09/27/50/218092750.db2.gz LIWDEVODAPMRFM-JKSUJKDBSA-N -1 0 349.390 2.514 50 0 EFAARM COc1ccccc1[C@@H]1CN(C(=O)c2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC000091951311 218093350 /nfs/dbraw/zinc/09/33/50/218093350.db2.gz SMNQBCWDTMHQNL-JKSUJKDBSA-N -1 0 343.354 2.775 50 0 EFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(F)ccc2OC)c1 ZINC000010302009 211161382 /nfs/dbraw/zinc/16/13/82/211161382.db2.gz JQNPJIVEJFYNCZ-UHFFFAOYSA-N -1 0 341.360 2.652 50 0 EFAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CC(=O)N2 ZINC000010063819 211145294 /nfs/dbraw/zinc/14/52/94/211145294.db2.gz DYDOJVGFHOCPNS-UHFFFAOYSA-N -1 0 346.408 2.689 50 0 EFAARM Cc1n[n-]c(SCc2ccc(C(=O)c3ccccc3)cc2)nc1=O ZINC000009135153 211044569 /nfs/dbraw/zinc/04/45/69/211044569.db2.gz ONRBSYOQVZKDBL-UHFFFAOYSA-N -1 0 337.404 2.997 50 0 EFAARM O=C(NCc1ccc(Cl)cc1)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000009109808 211040337 /nfs/dbraw/zinc/04/03/37/211040337.db2.gz HKAASQITFBHZDV-UHFFFAOYSA-N -1 0 328.755 2.817 50 0 EFAARM Cn1ncc(Cl)c1C(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095366662 218299622 /nfs/dbraw/zinc/29/96/22/218299622.db2.gz WGSHSRWRUSHKMP-ZDUSSCGKSA-N -1 0 347.802 2.792 50 0 EFAARM CCOC(=O)Cc1cc(=O)n2[n-]c(C)c(-c3ccccc3OC)c2n1 ZINC000009042117 211032661 /nfs/dbraw/zinc/03/26/61/211032661.db2.gz UGIHWTVWYQGXHN-UHFFFAOYSA-N -1 0 341.367 2.525 50 0 EFAARM CN(Cc1ccon1)[C@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC000095374847 218308279 /nfs/dbraw/zinc/30/82/79/218308279.db2.gz FFBJQKWTPRJNCR-LBPRGKRZSA-N -1 0 330.262 2.831 50 0 EFAARM CC(C)C(=O)Nc1ccc([C@H](C(=O)[O-])N(C)Cc2ccon2)cc1 ZINC000095379013 218311555 /nfs/dbraw/zinc/31/15/55/218311555.db2.gz GDSZXWDCZCANBX-OAHLLOKOSA-N -1 0 331.372 2.527 50 0 EFAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)cc1 ZINC000095379317 218312378 /nfs/dbraw/zinc/31/23/78/218312378.db2.gz GBWGICWNTKEWLF-AWEZNQCLSA-N -1 0 339.395 2.616 50 0 EFAARM Cc1c[nH]c(CN(C)[C@H](C(=O)[O-])c2c(F)cccc2OC(C)C)n1 ZINC000095390360 218321879 /nfs/dbraw/zinc/32/18/79/218321879.db2.gz OLCBEBVMBGGCDS-INIZCTEOSA-N -1 0 335.379 2.902 50 0 EFAARM C[C@@H](c1cn2ccsc2n1)n1cc(-c2ccccc2C(=O)[O-])nn1 ZINC000095391920 218323561 /nfs/dbraw/zinc/32/35/61/218323561.db2.gz GPHBLGXNLAGMBD-JTQLQIEISA-N -1 0 339.380 2.962 50 0 EFAARM Cc1[nH]c2c(c1CC(=O)N1CCC(C(=O)[O-])CC1)c(C)ccc2C ZINC000095500875 218415418 /nfs/dbraw/zinc/41/54/18/218415418.db2.gz SUILAQHTQXWWSA-UHFFFAOYSA-N -1 0 328.412 2.959 50 0 EFAARM O=C([O-])c1ccc([C@@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)cc1 ZINC000217847763 304250338 /nfs/dbraw/zinc/25/03/38/304250338.db2.gz MDLOWGGMOWXBPG-ZDUSSCGKSA-N -1 0 336.299 2.932 50 0 biogenic EFAARM O=C([O-])c1ccc([C@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)cc1 ZINC000217847808 304250676 /nfs/dbraw/zinc/25/06/76/304250676.db2.gz MDLOWGGMOWXBPG-CYBMUJFWSA-N -1 0 336.299 2.932 50 0 biogenic EFAARM COc1cc(C(=O)[O-])ccc1OCC(=O)N[C@@H](C)c1ccccc1 ZINC000005027778 210366860 /nfs/dbraw/zinc/36/68/60/210366860.db2.gz CUZDZYIPJMXWST-LBPRGKRZSA-N -1 0 329.352 2.650 50 0 EFAARM Cc1ccc(Cl)cc1N(CC(=O)[O-])S(=O)(=O)c1ccccc1 ZINC000005010298 210361100 /nfs/dbraw/zinc/36/11/00/210361100.db2.gz HFKRSYTYDIXJAO-UHFFFAOYSA-N -1 0 339.800 2.928 50 0 EFAARM O=C([O-])CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000004957299 210338871 /nfs/dbraw/zinc/33/88/71/210338871.db2.gz MDSWVNDLEJZUHP-UHFFFAOYSA-N -1 0 325.773 2.620 50 0 EFAARM COc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cn1 ZINC000007056603 208578664 /nfs/dbraw/zinc/57/86/64/208578664.db2.gz HCXUHIKLKLFAPR-UHFFFAOYSA-N -1 0 349.231 2.715 50 0 EFAARM O=C([O-])CCCC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000004867550 210306744 /nfs/dbraw/zinc/30/67/44/210306744.db2.gz LYAJDVDLNSVCKB-UHFFFAOYSA-N -1 0 332.400 2.943 50 0 EFAARM COC(=O)C1=C([O-])c2c(C)c(C(=O)O[C@@H]3CCC[C@@H]3C)[nH]c2C[C@@H]1C ZINC000004839803 210295021 /nfs/dbraw/zinc/29/50/21/210295021.db2.gz PZUFJJVCCIFCJD-ZNIXKSQXSA-N -1 0 347.411 2.833 50 0 EFAARM Cc1cc(C)cc(OCC(=O)Nc2ccc(OCC(=O)[O-])cc2)c1 ZINC000004826534 210289092 /nfs/dbraw/zinc/28/90/92/210289092.db2.gz VHAVDTIPBCUTCU-UHFFFAOYSA-N -1 0 329.352 2.784 50 0 EFAARM CC(=O)Oc1ccc(NC(=O)COc2ccc(C)cc2)c(C(=O)[O-])c1 ZINC000004825775 210288534 /nfs/dbraw/zinc/28/85/34/210288534.db2.gz FXMBOEGLYUMUFN-UHFFFAOYSA-N -1 0 343.335 2.636 50 0 EFAARM O=C([O-])c1ccccc1-n1nc([C@@H]2CCOC2)nc1-c1ccco1 ZINC000097447033 219025570 /nfs/dbraw/zinc/02/55/70/219025570.db2.gz PHLSFPKOIOXKDM-LLVKDONJSA-N -1 0 325.324 2.729 50 0 EFAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc(Cl)cc1 ZINC000004809360 210282112 /nfs/dbraw/zinc/28/21/12/210282112.db2.gz OWJBPAVRMUQURE-UHFFFAOYSA-N -1 0 338.816 2.642 50 0 EFAARM O=C([O-])c1ccccc1S[C@H]1CC(=O)N(C2CCCCC2)C1=O ZINC000004276405 304271553 /nfs/dbraw/zinc/27/15/53/304271553.db2.gz QBPSYSBGRARKKS-AWEZNQCLSA-N -1 0 333.409 2.937 50 0 EFAARM CC[C@H](C)[C@@H](NC(=O)Cc1c(C)[nH]nc1-c1ccc(F)cc1)C(=O)[O-] ZINC000334160836 258016488 /nfs/dbraw/zinc/01/64/88/258016488.db2.gz NJBVEHFDIDGBRB-MGPLVRAMSA-N -1 0 347.390 2.682 50 0 EFAARM CC[C@@H](C)[C@@H](NC(=O)Cc1c(C)[nH]nc1-c1ccc(F)cc1)C(=O)[O-] ZINC000334160838 258016813 /nfs/dbraw/zinc/01/68/13/258016813.db2.gz NJBVEHFDIDGBRB-QLJPJBMISA-N -1 0 347.390 2.682 50 0 EFAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)CCn3cccc3)C2)c1 ZINC000299776740 258087058 /nfs/dbraw/zinc/08/70/58/258087058.db2.gz DLKITKGAWCNGIX-QGZVFWFLSA-N -1 0 326.396 2.983 50 0 EFAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)CCn3cccc3)C2)c1 ZINC000299776737 258087298 /nfs/dbraw/zinc/08/72/98/258087298.db2.gz DLKITKGAWCNGIX-KRWDZBQOSA-N -1 0 326.396 2.983 50 0 EFAARM O=C([O-])C[C@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O ZINC000299793327 258098746 /nfs/dbraw/zinc/09/87/46/258098746.db2.gz IOKBOKIZJQIJIG-NRFANRHFSA-N -1 0 349.386 2.987 50 0 EFAARM O=C([O-])CNc1ccccc1C(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000055060686 258061390 /nfs/dbraw/zinc/06/13/90/258061390.db2.gz IJYZMXRESDPFML-QGZVFWFLSA-N -1 0 339.395 2.946 50 0 EFAARM O=C([O-])c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F ZINC000047843838 304285233 /nfs/dbraw/zinc/28/52/33/304285233.db2.gz WJYFVXDTZMKXGZ-UHFFFAOYSA-N -1 0 336.067 2.747 50 0 EFAARM CC[C@@H](C)[C@H](NC(=O)CCn1ccc2c1cccc2OC)C(=O)[O-] ZINC000040308970 286805509 /nfs/dbraw/zinc/80/55/09/286805509.db2.gz UDPBKESWLMVYDK-PXAZEXFGSA-N -1 0 332.400 2.656 50 0 biogenic EFAARM Cc1nc2[n-]c(NC(=O)c3ccc(Cl)cc3)nn2c(=O)c1Cl ZINC000008914718 279144861 /nfs/dbraw/zinc/14/48/61/279144861.db2.gz HQGKRSNCNGIQCQ-UHFFFAOYSA-N -1 0 338.154 2.697 50 0 EFAARM CN(C)C(=O)CC[C@H]1CCCN(c2ccc(Cl)c(C(=O)[O-])n2)C1 ZINC000096133300 288952512 /nfs/dbraw/zinc/95/25/12/288952512.db2.gz YIIYZHFRVJGPGB-LLVKDONJSA-N -1 0 339.823 2.518 50 0 EFAARM COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000017070619 295182540 /nfs/dbraw/zinc/18/25/40/295182540.db2.gz ZOZLGGUSQQPSPN-UBHSHLNASA-N -1 0 335.400 2.772 50 0 EFAARM C[C@H](C(=O)N1CCC(Oc2ccccc2)(C(=O)[O-])CC1)n1cccc1 ZINC000072408840 298008918 /nfs/dbraw/zinc/00/89/18/298008918.db2.gz YKUMLTSBVZFVMZ-OAHLLOKOSA-N -1 0 342.395 2.574 50 0 EFAARM O=c1c2[n-][nH]n(-c3ccccc3)c=2c(=O)n1-c1cccc(Cl)c1 ZINC000101144801 304720106 /nfs/dbraw/zinc/72/01/06/304720106.db2.gz HWVJBVZORFGBDO-UONOGXRCSA-N -1 0 326.743 2.838 50 0 EFAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(N)=O)c1C ZINC000007056134 301180593 /nfs/dbraw/zinc/18/05/93/301180593.db2.gz SQYJUTOOOAKWHZ-UHFFFAOYSA-N -1 0 332.425 2.820 50 0 EFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(F)c4)c=3c2=O)cc1F ZINC000101260562 301623843 /nfs/dbraw/zinc/62/38/43/301623843.db2.gz LGLUQPKCOQJLJC-HUUCEWRRSA-N -1 0 342.305 2.771 50 0 EFAARM Cc1ccc(S(=O)(=O)[C@H](NC(=O)[O-])C(Cl)(Cl)Cl)cc1 ZINC000006507159 301699695 /nfs/dbraw/zinc/69/96/95/301699695.db2.gz RKHDDALHBKHTIT-QMMMGPOBSA-N -1 0 346.619 2.733 50 0 EFAARM Cc1ccn(-c2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])cc2)n1 ZINC000008782727 302249135 /nfs/dbraw/zinc/24/91/35/302249135.db2.gz KTAFSCILAPJFID-CVEARBPZSA-N -1 0 325.368 2.786 50 0 EFAARM O=C([O-])c1ccnc(N2CCN(c3nc4ccccc4s3)CC2)c1 ZINC000095504655 473215612 /nfs/dbraw/zinc/21/56/12/473215612.db2.gz MCXOIEIQFHMKGK-UHFFFAOYSA-N -1 0 340.408 2.716 50 0 EFAARM Cc1ccc(-c2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])[nH]n2)cc1 ZINC000095501079 473214468 /nfs/dbraw/zinc/21/44/68/473214468.db2.gz OGGACTPAJPWRTA-GOSISDBHSA-N -1 0 349.390 2.811 50 0 EFAARM COc1ccc(OC)c([C@H]2CCN(c3ccc(C(=O)[O-])cn3)C2)c1 ZINC000095502845 473214811 /nfs/dbraw/zinc/21/48/11/473214811.db2.gz ILIBEQNSZHOFSU-ZDUSSCGKSA-N -1 0 328.368 2.791 50 0 EFAARM O=C([O-])C1(NC(=O)c2ccc(-c3ccccc3Cl)o2)CCOCC1 ZINC000095516678 473218294 /nfs/dbraw/zinc/21/82/94/473218294.db2.gz DOYVTQMVDIUCSD-UHFFFAOYSA-N -1 0 349.770 2.964 50 0 EFAARM CC(C)Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2F)n(C)n1 ZINC000095531506 473222683 /nfs/dbraw/zinc/22/26/83/473222683.db2.gz QWZSXCPHDGVLFH-HNNXBMFYSA-N -1 0 347.390 2.704 50 0 EFAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnn([C@@H]3CCOC3)c2)cc1 ZINC000096123274 473308724 /nfs/dbraw/zinc/30/87/24/473308724.db2.gz YYZBOWJAQMWCBD-OAHLLOKOSA-N -1 0 349.456 2.943 50 0 EFAARM Cc1ccccc1Oc1ccc(S(=O)(=O)NCCC(=O)[O-])cc1 ZINC000000074861 471319638 /nfs/dbraw/zinc/31/96/38/471319638.db2.gz FYZFWXCZSXEKBL-UHFFFAOYSA-N -1 0 335.381 2.540 50 0 EFAARM CCc1nc2ccccc2n1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000000098530 471322998 /nfs/dbraw/zinc/32/29/98/471322998.db2.gz KRTNWLZOTMCHBF-CQSZACIVSA-N -1 0 340.379 2.737 50 0 biogenic EFAARM CCc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000000096981 471323007 /nfs/dbraw/zinc/32/30/07/471323007.db2.gz SRRLZSOWRRYSNE-INIZCTEOSA-N -1 0 333.409 2.743 50 0 EFAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)/C=C/c2ccccc2)c1 ZINC000000146144 471328036 /nfs/dbraw/zinc/32/80/36/471328036.db2.gz VZVSNKIMSIIUHC-DHZHZOJOSA-N -1 0 331.393 2.838 50 0 EFAARM COc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1 ZINC000000311510 471347295 /nfs/dbraw/zinc/34/72/95/471347295.db2.gz CLLNJKYTWBVSTI-UHFFFAOYSA-N -1 0 344.392 2.829 50 0 EFAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000000367620 471352079 /nfs/dbraw/zinc/35/20/79/471352079.db2.gz RKXQLWZEBRUOIA-UHFFFAOYSA-N -1 0 343.202 2.654 50 0 EFAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCCC3)cc2)no1 ZINC000000475509 471364333 /nfs/dbraw/zinc/36/43/33/471364333.db2.gz OOAMEXUYYIGACN-UHFFFAOYSA-N -1 0 349.412 2.913 50 0 EFAARM COc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(OC)cc1Cl ZINC000000475042 471364585 /nfs/dbraw/zinc/36/45/85/471364585.db2.gz SCRJBRSRHBQGTB-NXEZZACHSA-N -1 0 339.775 2.963 50 0 EFAARM C[C@H]1CCC[C@H](C(=O)[O-])N1C(=O)CCSC(=O)c1ccccc1 ZINC000000478621 471365709 /nfs/dbraw/zinc/36/57/09/471365709.db2.gz WBDJVKOBQMEZTP-GXTWGEPZSA-N -1 0 335.425 2.804 50 0 EFAARM O=C([O-])c1ccc2c(c1)C(=O)N(CCc1c[nH]c3ccccc13)C2=O ZINC000000488396 471365781 /nfs/dbraw/zinc/36/57/81/471365781.db2.gz LBMVWKKTMWODMQ-UHFFFAOYSA-N -1 0 334.331 2.705 50 0 biogenic EFAARM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O ZINC000000575915 471373077 /nfs/dbraw/zinc/37/30/77/471373077.db2.gz RTSVWWCADLZNGQ-UHFFFAOYSA-N -1 0 327.745 2.545 50 0 EFAARM Cc1cc2ncn(C[C@H](O)COc3cccc(C(=O)[O-])c3)c2cc1C ZINC000000857483 471377121 /nfs/dbraw/zinc/37/71/21/471377121.db2.gz JWIVYIDXVXMFEQ-HNNXBMFYSA-N -1 0 340.379 2.791 50 0 EFAARM O=C(CSc1nc([O-])cc(=O)n1-c1ccccc1)c1ccccc1 ZINC000001230491 471383521 /nfs/dbraw/zinc/38/35/21/471383521.db2.gz VDCYTIVGJJHLSQ-UHFFFAOYSA-N -1 0 338.388 2.913 50 0 EFAARM O=C([O-])[C@H](COCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000001640069 471394622 /nfs/dbraw/zinc/39/46/22/471394622.db2.gz CYYRLHUAMWRBHC-INIZCTEOSA-N -1 0 329.352 2.583 50 0 EFAARM CCOCc1nnc([N-]S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000002191242 471403237 /nfs/dbraw/zinc/40/32/37/471403237.db2.gz OBRPLAAVPRBWPA-UHFFFAOYSA-N -1 0 333.822 2.529 50 0 EFAARM CCCCC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)CC(C)C)cc1 ZINC000002279919 471405261 /nfs/dbraw/zinc/40/52/61/471405261.db2.gz AJXHDCUNODWYBC-UHFFFAOYSA-N -1 0 340.445 2.666 50 0 EFAARM CC(C)(C)OC(=O)N1CCN([C@@H](/C=C/c2ccccc2)C(=O)[O-])CC1 ZINC000002386690 471406417 /nfs/dbraw/zinc/40/64/17/471406417.db2.gz SJGWOAUBXYMANH-SCOAYWHSSA-N -1 0 346.427 2.706 50 0 EFAARM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1cccc2cccnc21 ZINC000002465245 471407964 /nfs/dbraw/zinc/40/79/64/471407964.db2.gz MCUNULDGWUSQAQ-UHFFFAOYSA-N -1 0 342.376 2.807 50 0 EFAARM Cc1cccc(OCCn2c3ccccc3nc2S(=O)(=O)[O-])c1 ZINC000002503395 471409337 /nfs/dbraw/zinc/40/93/37/471409337.db2.gz RRAQKSYLKXILPW-UHFFFAOYSA-N -1 0 332.381 2.670 50 0 EFAARM COc1cc(OCCCC(=O)[O-])ccc1CNC(=O)OC(C)(C)C ZINC000002513215 471409564 /nfs/dbraw/zinc/40/95/64/471409564.db2.gz YZVVPQLWYRDVAH-UHFFFAOYSA-N -1 0 339.388 2.964 50 0 EFAARM COC(=O)C1=C([O-])c2c(C)c(C(=O)OC3CCCC3)[nH]c2C[C@@H]1C ZINC000002499392 471409650 /nfs/dbraw/zinc/40/96/50/471409650.db2.gz DJLGSTKNGBXRSF-TVQRCGJNSA-N -1 0 333.384 2.587 50 0 EFAARM CCCCCOC(=O)c1[nH]c2c(c1C)C([O-])=C(C(=O)OC)[C@H](C)C2 ZINC000002499369 471410081 /nfs/dbraw/zinc/41/00/81/471410081.db2.gz CHOHAKUYRSDKKL-ZWNOBZJWSA-N -1 0 335.400 2.834 50 0 EFAARM CO[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002547863 471411152 /nfs/dbraw/zinc/41/11/52/471411152.db2.gz AMDUDUCMSBVPRB-MRXNPFEDSA-N -1 0 327.336 2.582 50 0 EFAARM C[C@@H](OCc1ccccc1)[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002555075 471411451 /nfs/dbraw/zinc/41/14/51/471411451.db2.gz FVKJXAYBJIAXAU-PBHICJAKSA-N -1 0 343.379 2.971 50 0 EFAARM CCc1c(C)sc(NC(=O)/C=C/C(=O)[O-])c1C(=O)OC(C)C ZINC000002764115 471419846 /nfs/dbraw/zinc/41/98/46/471419846.db2.gz QXAHHISUQWZHTM-VOTSOKGWSA-N -1 0 325.386 2.763 50 0 EFAARM Cc1ccc(S(=O)(=O)[N-]c2ncn(Cc3ccc(F)cc3)n2)cc1 ZINC000002779253 471420741 /nfs/dbraw/zinc/42/07/41/471420741.db2.gz JJNHYAYGUWYKCX-UHFFFAOYSA-N -1 0 346.387 2.575 50 0 EFAARM Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cc1 ZINC000002896461 471427864 /nfs/dbraw/zinc/42/78/64/471427864.db2.gz KGGQQAQHEMCAKI-OAHLLOKOSA-N -1 0 347.436 2.907 50 0 EFAARM COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2OC)c(OC)c1 ZINC000002886997 471427943 /nfs/dbraw/zinc/42/79/43/471427943.db2.gz VXOMCYMMVIHJSU-UHFFFAOYSA-N -1 0 337.397 2.822 50 0 EFAARM O=C([O-])c1ccccc1SCC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000003223092 471436679 /nfs/dbraw/zinc/43/66/79/471436679.db2.gz GBJZPLHMIXXTPJ-UHFFFAOYSA-N -1 0 343.360 2.691 50 0 EFAARM COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)[O-] ZINC000003269776 471439693 /nfs/dbraw/zinc/43/96/93/471439693.db2.gz SSWJZDOVLMABNH-UHFFFAOYSA-N -1 0 331.711 2.847 50 0 EFAARM Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC000003887035 471456867 /nfs/dbraw/zinc/45/68/67/471456867.db2.gz MEUUIIBIEUNLPI-MRXNPFEDSA-N -1 0 345.420 2.504 50 0 EFAARM CCO[C@]1(c2ccncc2)[N-]c2nonc2-c2nc3ccccc3n21 ZINC000004629487 471470481 /nfs/dbraw/zinc/47/04/81/471470481.db2.gz XHUGEUQASSWSSM-QGZVFWFLSA-N -1 0 334.339 2.602 50 0 EFAARM Cc1cc2ncn(C[C@H](O)COc3ccccc3C(=O)[O-])c2cc1C ZINC000005059839 471485827 /nfs/dbraw/zinc/48/58/27/471485827.db2.gz QAJNMBNKWMZQCZ-AWEZNQCLSA-N -1 0 340.379 2.791 50 0 EFAARM CC(=O)Nc1ccc(Nc2nnc(Cc3ccc(C)cc3)c(=O)[n-]2)cc1 ZINC000005154514 471487511 /nfs/dbraw/zinc/48/75/11/471487511.db2.gz MONJHDLKQDHHGA-UHFFFAOYSA-N -1 0 349.394 2.766 50 0 EFAARM COc1ccc(C)cc1Nc1nnc(Cc2ccc(F)cc2)c(=O)[n-]1 ZINC000005154480 471488472 /nfs/dbraw/zinc/48/84/72/471488472.db2.gz IJKQRTMFQQBVQO-UHFFFAOYSA-N -1 0 340.358 2.955 50 0 EFAARM O=C([O-])c1ccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3C(=O)O2)cc1 ZINC000005269285 471496390 /nfs/dbraw/zinc/49/63/90/471496390.db2.gz RPSASFGFLODFBZ-CQSZACIVSA-N -1 0 345.738 2.758 50 0 EFAARM O=c1cc(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000005323920 471499769 /nfs/dbraw/zinc/49/97/69/471499769.db2.gz WKZGGOPDYNPGIF-UHFFFAOYSA-N -1 0 330.347 2.578 50 0 EFAARM CC(C)=CCC/C(C)=C\CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@@H]3C1=O ZINC000005639199 471514753 /nfs/dbraw/zinc/51/47/53/471514753.db2.gz QUOGRGMWDHAAQO-RETOYCRDSA-N -1 0 331.412 2.546 50 0 biogenic EFAARM CC(C)=CCC/C(C)=C\CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@H]3C1=O ZINC000005639200 471515251 /nfs/dbraw/zinc/51/52/51/471515251.db2.gz QUOGRGMWDHAAQO-BRZNQVFLSA-N -1 0 331.412 2.546 50 0 biogenic EFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c1 ZINC000006213802 471535939 /nfs/dbraw/zinc/53/59/39/471535939.db2.gz HZGOOGUMQDSVMS-UHFFFAOYSA-N -1 0 333.409 2.993 50 0 EFAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC000006426888 471544571 /nfs/dbraw/zinc/54/45/71/471544571.db2.gz RIYCOWLIBIPPQZ-UHFFFAOYSA-N -1 0 333.409 2.892 50 0 EFAARM O=C([O-])CCCC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000006715585 471561541 /nfs/dbraw/zinc/56/15/41/471561541.db2.gz DRUJBHWVCRDJJX-UHFFFAOYSA-N -1 0 345.226 2.897 50 0 EFAARM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000006706501 471562161 /nfs/dbraw/zinc/56/21/61/471562161.db2.gz QBXRTUSSEMTTPK-UHFFFAOYSA-N -1 0 340.351 2.748 50 0 EFAARM Cc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])C[C@@H]2C)cc1 ZINC000006714191 471562497 /nfs/dbraw/zinc/56/24/97/471562497.db2.gz VAHKKTOMJPBURV-JQHSSLGASA-N -1 0 344.455 2.923 50 0 EFAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000006726402 471563426 /nfs/dbraw/zinc/56/34/26/471563426.db2.gz XNALZKYTRNJOCS-CVEARBPZSA-N -1 0 344.411 2.752 50 0 EFAARM CC(=O)Nc1ccc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])cc1 ZINC000006725585 471563600 /nfs/dbraw/zinc/56/36/00/471563600.db2.gz NJQCPDAOZOUKIB-INCPQMAJSA-N -1 0 330.384 2.721 50 0 EFAARM COc1cc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])cc(OC)c1 ZINC000006742209 471564524 /nfs/dbraw/zinc/56/45/24/471564524.db2.gz CIQOKGDPAFIBON-VVUBSENTSA-N -1 0 333.384 2.779 50 0 EFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000006913900 471578056 /nfs/dbraw/zinc/57/80/56/471578056.db2.gz INBNCAYCHLOHCM-UHFFFAOYSA-N -1 0 325.411 2.952 50 0 EFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(F)ccc1C ZINC000006916776 471578678 /nfs/dbraw/zinc/57/86/78/471578678.db2.gz RDYOKULNVIPFGR-UHFFFAOYSA-N -1 0 329.374 2.783 50 0 EFAARM COc1ccc([N-]S(=O)(=O)c2cccc(Br)c2)cn1 ZINC000007056584 471589138 /nfs/dbraw/zinc/58/91/38/471589138.db2.gz AXTKFWLWQDWWCJ-UHFFFAOYSA-N -1 0 343.202 2.654 50 0 EFAARM O=C([O-])CNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 ZINC000007498211 471618371 /nfs/dbraw/zinc/61/83/71/471618371.db2.gz NTIYHPYEQYLXDH-UHFFFAOYSA-N -1 0 336.355 2.855 50 0 EFAARM COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)c(OC)c1 ZINC000008106186 471662801 /nfs/dbraw/zinc/66/28/01/471662801.db2.gz AVTVNCOHSDEZRU-UHFFFAOYSA-N -1 0 329.324 2.783 50 0 EFAARM CC(C)(C)OC(=O)N[C@@H](c1ccc(C(F)(F)F)cc1)[C@H](O)C(=O)[O-] ZINC000008700611 471698259 /nfs/dbraw/zinc/69/82/59/471698259.db2.gz BPRVMYAOSPCFJE-QWRGUYRKSA-N -1 0 349.305 2.717 50 0 EFAARM O=c1[nH]c([O-])c(Cc2ccc(Cl)cc2)c(=O)n1-c1ccccc1 ZINC000008738406 471703817 /nfs/dbraw/zinc/70/38/17/471703817.db2.gz RCVGOWJXLPGOMS-CQSZACIVSA-N -1 0 328.755 2.986 50 0 EFAARM CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000009828228 471721899 /nfs/dbraw/zinc/72/18/99/471721899.db2.gz QVVFSMGAKIVNGY-UHFFFAOYSA-N -1 0 336.438 2.848 50 0 EFAARM O=C([O-])[C@@H]1CC=C(Cl)C[C@H]1C(=O)NC[C@@H]1OCCc2ccccc21 ZINC000013153863 471819181 /nfs/dbraw/zinc/81/91/81/471819181.db2.gz ZIPVWQKDALFCRB-OAGGEKHMSA-N -1 0 349.814 2.650 50 0 EFAARM CC[C@@H](C)C1C(=O)N=C(SCC(=O)Nc2ccccc2)N=C1[O-] ZINC000013468103 471830194 /nfs/dbraw/zinc/83/01/94/471830194.db2.gz CFAAECOUKGUOHH-SNVBAGLBSA-N -1 0 333.413 2.720 50 0 EFAARM C[C@H]1Oc2ccccc2C=C1/C=C1/SC(=O)N(CCC(=O)[O-])C1=O ZINC000013689457 471838647 /nfs/dbraw/zinc/83/86/47/471838647.db2.gz DKVCIXLRLKYJTE-GMROUXNLSA-N -1 0 345.376 2.905 50 0 EFAARM Cc1cccc(C(=O)Nc2ccc(NC(=O)CCC(=O)[O-])cc2O)c1 ZINC000013843323 471844493 /nfs/dbraw/zinc/84/44/93/471844493.db2.gz YQPJFYXMYPDGEV-UHFFFAOYSA-N -1 0 342.351 2.756 50 0 EFAARM COc1ccc(-c2oc3c(OC)c([O-])cc(O)c3c(=O)c2O)cc1 ZINC000014779724 471878169 /nfs/dbraw/zinc/87/81/69/471878169.db2.gz HLSIOUXODPWHFI-UHFFFAOYSA-N -1 0 330.292 2.594 50 0 endogenous,in-man EFAARM O=C([O-])CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2Cc1ccccc1 ZINC000014859743 471880213 /nfs/dbraw/zinc/88/02/13/471880213.db2.gz MFFWFILLMGRYPI-DZKIICNBSA-N -1 0 334.441 2.709 50 0 in-vitro EFAARM O=C([O-])c1cc(NC(=O)c2ccc(-n3cnnc3)cc2)ccc1Cl ZINC000016401070 471935728 /nfs/dbraw/zinc/93/57/28/471935728.db2.gz MVOHISGQZZTHQB-UHFFFAOYSA-N -1 0 342.742 2.871 50 0 EFAARM CC(Nc1ccccc1F)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000017016914 471953378 /nfs/dbraw/zinc/95/33/78/471953378.db2.gz WKRVPUWKDCQVDU-RVDMUPIBSA-N -1 0 339.326 2.795 50 0 EFAARM O=c1c2[n-][nH]n(-c3ccc(Cl)cc3)c=2c(=O)n1-c1ccccc1 ZINC000033274033 471981927 /nfs/dbraw/zinc/98/19/27/471981927.db2.gz YAAZYUJFIMZYLP-UONOGXRCSA-N -1 0 326.743 2.838 50 0 EFAARM COC(=O)[C@]1(C)C[C@@H](C(=O)[O-])[C@H](c2ccccc2C(F)(F)F)N1C ZINC000034785180 471992169 /nfs/dbraw/zinc/99/21/69/471992169.db2.gz LUVKCSBCHJGBRC-GMXABZIVSA-N -1 0 345.317 2.715 50 0 EFAARM COc1cccc(OC)c1-c1cc2nc(C(=O)[O-])cc(C3CC3)n2n1 ZINC000041568729 472069996 /nfs/dbraw/zinc/06/99/96/472069996.db2.gz ZXOSWBNMEAQRTG-UHFFFAOYSA-N -1 0 339.351 2.989 50 0 EFAARM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCc2ccccc2C)c1 ZINC000025059570 472079196 /nfs/dbraw/zinc/07/91/96/472079196.db2.gz HOVNGFZWRWZPEE-UHFFFAOYSA-N -1 0 332.425 2.605 50 0 EFAARM COc1ccc2c(ccn2CC(=O)NCC2CCC(C(=O)[O-])CC2)c1 ZINC000032073389 472412073 /nfs/dbraw/zinc/41/20/73/472412073.db2.gz KKMNUPJYBXKZQS-UHFFFAOYSA-N -1 0 344.411 2.657 50 0 EFAARM Nc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000032627620 472448624 /nfs/dbraw/zinc/44/86/24/472448624.db2.gz GGYSBLFCCKKRED-UHFFFAOYSA-N -1 0 345.193 2.971 50 0 EFAARM O=C(CCc1cc(=O)[n-]o1)N1CCC(Cc2ccccc2F)CC1 ZINC000077302532 472497356 /nfs/dbraw/zinc/49/73/56/472497356.db2.gz WSWGTBLHKGGHGQ-UHFFFAOYSA-N -1 0 332.375 2.933 50 0 EFAARM Cc1nc(CCNc2nccc(-c3ccccn3)n2)sc1C(=O)[O-] ZINC000097815497 472507812 /nfs/dbraw/zinc/50/78/12/472507812.db2.gz BKQGIUNOEQKQCC-UHFFFAOYSA-N -1 0 341.396 2.656 50 0 EFAARM CC1(C)[C@H](C(=O)Nc2cccc(NC(=O)c3ccco3)c2)[C@@H]1C(=O)[O-] ZINC000071282682 472545885 /nfs/dbraw/zinc/54/58/85/472545885.db2.gz YIZIKBLBKDGRQA-UONOGXRCSA-N -1 0 342.351 2.827 50 0 EFAARM CC1(C)[C@H](C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)[C@@H]1C(=O)[O-] ZINC000071280522 472546543 /nfs/dbraw/zinc/54/65/43/472546543.db2.gz ZFEZCKCEVAPWSE-UONOGXRCSA-N -1 0 342.351 2.827 50 0 EFAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(NC(=O)C2CCC2)c1 ZINC000071286330 472547521 /nfs/dbraw/zinc/54/75/21/472547521.db2.gz XDBHYJYVQZIYPE-ZIAGYGMSSA-N -1 0 330.384 2.721 50 0 EFAARM CCn1ncc(-c2csc(NC(=O)[C@H]3[C@H](C(=O)[O-])C3(C)C)n2)c1C ZINC000071285468 472547670 /nfs/dbraw/zinc/54/76/70/472547670.db2.gz HMICSFDTZLJHIO-VXGBXAGGSA-N -1 0 348.428 2.630 50 0 EFAARM COc1cc(Br)ccc1NC(=O)[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000071405205 472550366 /nfs/dbraw/zinc/55/03/66/472550366.db2.gz SRJJTEVUCXXKDV-BDAKNGLRSA-N -1 0 342.189 2.897 50 0 EFAARM Cc1ccnc(N2CCC[C@](Cc3ccc(F)cc3F)(C(=O)[O-])C2)n1 ZINC000071614132 472552950 /nfs/dbraw/zinc/55/29/50/472552950.db2.gz DMDVDUBWSWLKHI-GOSISDBHSA-N -1 0 347.365 2.977 50 0 EFAARM O=C([O-])[C@]1(Cc2ccc(F)cc2F)CCCN(c2ncccn2)C1 ZINC000071745329 472556799 /nfs/dbraw/zinc/55/67/99/472556799.db2.gz ZYJAYILKPQLOMC-KRWDZBQOSA-N -1 0 333.338 2.669 50 0 EFAARM Nc1ccnc(N2CCC(Cc3ccc(Cl)cc3)(C(=O)[O-])CC2)n1 ZINC000071747853 472558059 /nfs/dbraw/zinc/55/80/59/472558059.db2.gz WVLPGDCESFXALO-UHFFFAOYSA-N -1 0 346.818 2.626 50 0 EFAARM O=C([O-])C1(O)CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 ZINC000071775948 472564675 /nfs/dbraw/zinc/56/46/75/472564675.db2.gz PODHFGCVWUJVGW-UHFFFAOYSA-N -1 0 349.770 2.652 50 0 EFAARM COc1cc(Cl)c(C)cc1NC(=O)c1c[n-]n2c1nc(C)cc2=O ZINC000102905530 472599096 /nfs/dbraw/zinc/59/90/96/472599096.db2.gz ZXIJKBNYTPDTHB-UHFFFAOYSA-N -1 0 346.774 2.554 50 0 EFAARM O=C([O-])c1nn(-c2cccc(Br)c2)c(=O)c2ccccc21 ZINC000062591961 472742696 /nfs/dbraw/zinc/74/26/96/472742696.db2.gz GUORFVDOTGZIKH-UHFFFAOYSA-N -1 0 345.152 2.846 50 0 EFAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCc2ccsc2)C1 ZINC000091643504 472788581 /nfs/dbraw/zinc/78/85/81/472788581.db2.gz LFAUUZAKRHZVEA-KRWDZBQOSA-N -1 0 339.457 2.801 50 0 EFAARM O=C([O-])CSc1nnc(-c2cnccn2)n1-c1cccc(Cl)c1 ZINC000065370597 472928036 /nfs/dbraw/zinc/92/80/36/472928036.db2.gz URTPONGIQOENTK-UHFFFAOYSA-N -1 0 347.787 2.554 50 0 EFAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(Cl)c(NC(=O)c3ccco3)c2)C1 ZINC000065397106 472934179 /nfs/dbraw/zinc/93/41/79/472934179.db2.gz WMZLRXYJEVFDGD-SECBINFHSA-N -1 0 348.742 2.623 50 0 EFAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000065410335 472936712 /nfs/dbraw/zinc/93/67/12/472936712.db2.gz DRGNNHQAUINOCO-UHFFFAOYSA-N -1 0 346.431 2.675 50 0 EFAARM Cc1ccc(NC(=O)C2CCCC2)c(N2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000065452043 472945797 /nfs/dbraw/zinc/94/57/97/472945797.db2.gz AZLGARIFGYQZJE-CYBMUJFWSA-N -1 0 330.384 2.561 50 0 EFAARM Nc1nc2c(c(-c3ccccc3)n1)CN(Cc1ccc(C(=O)[O-])cc1)C2 ZINC000065507042 472960154 /nfs/dbraw/zinc/96/01/54/472960154.db2.gz WGZFJKQJYCYABU-UHFFFAOYSA-N -1 0 346.390 2.940 50 0 EFAARM CN(C(=O)c1cccc(-n2cccn2)c1)[C@H](C(=O)[O-])c1cccs1 ZINC000095353166 473191105 /nfs/dbraw/zinc/19/11/05/473191105.db2.gz GJDPDDGOZUEFID-HNNXBMFYSA-N -1 0 341.392 2.832 50 0 EFAARM CCC(=O)N1N=C(c2c([O-])cc(C)oc2=O)C[C@@H]1c1ccccc1 ZINC000170625908 473569430 /nfs/dbraw/zinc/56/94/30/473569430.db2.gz CKSSCWHCMGMLHB-CQSZACIVSA-N -1 0 326.352 2.742 50 0 EFAARM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CN(C(=O)OCc2ccccc2)C1 ZINC000116180030 473635262 /nfs/dbraw/zinc/63/52/62/473635262.db2.gz RCMPMDCOBDJAAE-NEPJUHHUSA-N -1 0 331.290 2.908 50 0 EFAARM Cc1cc(=O)[nH]c(CCNC(=O)Cc2ccc(-c3ccccc3)cc2)n1 ZINC000220234169 474153393 /nfs/dbraw/zinc/15/33/93/474153393.db2.gz YSEJBORUWMDNDB-UHFFFAOYSA-N -1 0 347.418 2.647 50 0 EFAARM CC[C@H](C)[C@@H](NC(=O)Cc1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000223220755 474180796 /nfs/dbraw/zinc/18/07/96/474180796.db2.gz LTFVFKGDIZPNRH-TVQRCGJNSA-N -1 0 333.306 2.743 50 0 EFAARM O=S(=O)(NCc1ccnc(-c2ccco2)c1)c1ccccc1F ZINC000225658209 474234270 /nfs/dbraw/zinc/23/42/70/474234270.db2.gz SQMJNCYRFYJHBV-UHFFFAOYSA-N -1 0 332.356 2.959 50 0 EFAARM Cc1cc([C@H]2CCCN2CCC(=O)Nc2ccsc2C(=O)[O-])no1 ZINC000240662389 474550660 /nfs/dbraw/zinc/55/06/60/474550660.db2.gz 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ZINC000585134549 479295817 /nfs/dbraw/zinc/29/58/17/479295817.db2.gz YUROFFVGIKHJDP-GFCCVEGCSA-N -1 0 342.189 2.963 50 0 EFAARM COc1ccc(C[C@H](NC(=O)/C=C/c2ccccc2F)C(=O)[O-])cc1 ZINC000091297418 524155897 /nfs/dbraw/zinc/15/58/97/524155897.db2.gz CPRCTQWYRUCBKH-YRYLYKBFSA-N -1 0 343.354 2.660 50 0 EFAARM O=C([O-])COc1ccc(NC(=O)COc2ccccc2Cl)cc1 ZINC000004819675 527618390 /nfs/dbraw/zinc/61/83/90/527618390.db2.gz NNFMJHVEAHNGLW-UHFFFAOYSA-N -1 0 335.743 2.821 50 0 EFAARM CC[C@@H](C)[C@H](NC(=O)Cc1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000218223166 535704680 /nfs/dbraw/zinc/70/46/80/535704680.db2.gz LTFVFKGDIZPNRH-RNCFNFMXSA-N -1 0 333.306 2.743 50 0 EFAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000237938586 545569165 /nfs/dbraw/zinc/56/91/65/545569165.db2.gz QENCFGOOMFLCJA-NSHDSACASA-N -1 0 333.413 2.998 50 0 EFAARM CC(C)(C)c1nc(C(=O)NC(C)(C)c2nocc2C(=O)[O-])cs1 ZINC000685945082 550197504 /nfs/dbraw/zinc/19/75/04/550197504.db2.gz SYEGUOZWEHWSBR-UHFFFAOYSA-N -1 0 337.401 2.792 50 0 EFAARM COc1cccc2c1CC[C@@]2(NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000725269478 550198505 /nfs/dbraw/zinc/19/85/05/550198505.db2.gz UPDNNPFVAILJML-IBGZPJMESA-N -1 0 341.363 2.848 50 0 EFAARM C[C@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1cccc(O)c1)c3[O-] ZINC000199908647 564025837 /nfs/dbraw/zinc/02/58/37/564025837.db2.gz JASISGIQEUNBSK-JTQLQIEISA-N -1 0 336.347 2.782 50 0 EFAARM COc1ccc(CCNc2ncc(C(=O)[O-])c(C(C)C)n2)cc1OC ZINC000169751233 564099999 /nfs/dbraw/zinc/09/99/99/564099999.db2.gz VGPWASXIKPHSIR-UHFFFAOYSA-N -1 0 345.399 2.970 50 0 EFAARM Cc1nc(CN(CC(=O)[O-])C(=O)[C@@H](c2ccccc2)C(C)C)c[nH]1 ZINC001772703595 1249286532 /nfs/dbraw/zinc/28/65/32/1249286532.db2.gz HCESDNSEGJCUOE-QGZVFWFLSA-N -1 0 329.400 2.571 50 0 EFAARM CCCn1cnnc1[C@@H](C)[N-]c1nnc(CSc2ccncc2)o1 ZINC001772703355 1249287631 /nfs/dbraw/zinc/28/76/31/1249287631.db2.gz KRESXIDCIZVGTG-LLVKDONJSA-N -1 0 345.432 2.932 50 0 EFAARM COc1cc(CNc2nnn[n-]2)ccc1OCc1ccc(F)cc1 ZINC000005019132 1425993215 /nfs/dbraw/zinc/99/32/15/1425993215.db2.gz OVVAEAUIOVNBLQ-UHFFFAOYSA-N -1 0 329.335 2.539 50 0 EFAARM COc1ccc(F)cc1[C@@H](C(=O)[O-])N(C)Cc1noc(C2CCC2)n1 ZINC001506400795 1405750925 /nfs/dbraw/zinc/75/09/25/1405750925.db2.gz XAMJOHRZUOTQFR-HNNXBMFYSA-N -1 0 349.362 2.743 50 0 EFAARM COc1ccc(F)cc1[C@H](C(=O)[O-])N(C)Cc1noc(C2CCC2)n1 ZINC001506400796 1405750955 /nfs/dbraw/zinc/75/09/55/1405750955.db2.gz XAMJOHRZUOTQFR-OAHLLOKOSA-N -1 0 349.362 2.743 50 0 EFAARM COc1c(C)cc([C@@H](C(=O)[O-])N(C)Cc2nncn2C(C)C)cc1C ZINC001506406900 1405754358 /nfs/dbraw/zinc/75/43/58/1405754358.db2.gz PPUSRAQHEQYAIQ-INIZCTEOSA-N -1 0 346.431 2.742 50 0 EFAARM CCc1nc(CN(C)[C@H](C(=O)[O-])c2cc(Cl)ccc2OC)no1 ZINC001506410406 1405756327 /nfs/dbraw/zinc/75/63/27/1405756327.db2.gz TYDCKWDWYFBCRD-AWEZNQCLSA-N -1 0 339.779 2.552 50 0 EFAARM CN(Cc1cccc2cnccc21)C(=O)c1cc(O)cc(C(=O)[O-])c1 ZINC001506411650 1405756863 /nfs/dbraw/zinc/75/68/63/1405756863.db2.gz JBDRLZVBGSNTTM-UHFFFAOYSA-N -1 0 336.347 2.911 50 0 EFAARM CC[C@@H](c1ccccn1)N(C)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001506417512 1405759873 /nfs/dbraw/zinc/75/98/73/1405759873.db2.gz LIGNYXQKFAGFKA-NSHDSACASA-N -1 0 340.426 2.613 50 0 EFAARM Cc1cc([C@H](C(=O)[O-])N2CCN(Cc3ccco3)CC2)ccc1F ZINC001506421479 1405762030 /nfs/dbraw/zinc/76/20/30/1405762030.db2.gz QBIXNNFEGAWETF-QGZVFWFLSA-N -1 0 332.375 2.671 50 0 EFAARM O=C([O-])c1c(N2CCC[C@@H](CO)C2)noc1-c1ccc(Cl)cc1 ZINC001704312487 1417905041 /nfs/dbraw/zinc/90/50/41/1417905041.db2.gz DHWXCAYYPVVKIY-SNVBAGLBSA-N -1 0 336.775 2.902 50 0 EFAARM CCc1ccc(-c2c(-c3ccccc3)ncn2CCc2nnn[n-]2)nc1 ZINC000065431627 1423655781 /nfs/dbraw/zinc/65/57/81/1423655781.db2.gz OUUKMLNAYQMIFL-UHFFFAOYSA-N -1 0 345.410 2.930 50 0 EFAARM O=C(Cc1c(F)cccc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000013323848 1423694894 /nfs/dbraw/zinc/69/48/94/1423694894.db2.gz ZJIPBJDFJGTLIY-UHFFFAOYSA-N -1 0 331.738 2.840 50 0 EFAARM COc1cc(CNc2nnn[n-]2)ccc1OCc1ccc(C)cc1 ZINC000009193498 1424173965 /nfs/dbraw/zinc/17/39/65/1424173965.db2.gz GCNRVJJIBAZUJJ-UHFFFAOYSA-N -1 0 325.372 2.708 50 0 EFAARM O=C(c1ccccc1-c1nnn[n-]1)N1CCCC[C@@H]1c1cccnc1 ZINC000097076260 1424832915 /nfs/dbraw/zinc/83/29/15/1424832915.db2.gz HXJKSUFNANSDOO-MRXNPFEDSA-N -1 0 334.383 2.629 50 0 EFAARM O=C(NCCCc1nn[n-]n1)N1CCCCC[C@@H]1c1cccc(F)c1 ZINC000426648183 1446332827 /nfs/dbraw/zinc/33/28/27/1446332827.db2.gz RZFPYKFSRONCDK-OAHLLOKOSA-N -1 0 346.410 2.598 50 0 EFAARM Cc1cnc(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)cn1 ZINC000095386969 715178740 /nfs/dbraw/zinc/17/87/40/715178740.db2.gz JOTBPIAZPPEHPC-HNNXBMFYSA-N -1 0 325.368 2.503 50 0 EFAARM O=C([O-])Cn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2 ZINC000888104171 719033767 /nfs/dbraw/zinc/03/37/67/719033767.db2.gz KNUZGRRNSZSNKS-UHFFFAOYSA-N -1 0 345.358 2.659 50 0 EFAARM O=C([O-])C1(NC(=O)C[C@@H](c2ccco2)c2ccccc2)CCOCC1 ZINC000952981089 939809844 /nfs/dbraw/zinc/80/98/44/939809844.db2.gz UOSILVSUWYSGFV-OAHLLOKOSA-N -1 0 343.379 2.552 50 0 EFAARM CN(C(=O)CSc1nc(=O)c2sccc2[n-]1)c1ccc(F)cc1 ZINC000051317212 214087754 /nfs/dbraw/zinc/08/77/54/214087754.db2.gz KTKVLGCYSWPQSK-UHFFFAOYSA-N -1 0 349.412 2.879 50 0 EFAARM COc1cc(CN(C(=O)c2cccc(C(=O)[O-])c2)C2CC2)ccc1O ZINC000097636598 219043419 /nfs/dbraw/zinc/04/34/19/219043419.db2.gz VCGRKIYQSAXWSN-UHFFFAOYSA-N -1 0 341.363 2.904 50 0 EFAARM COCCN(Cc1ccccc1Cl)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000097681798 219048170 /nfs/dbraw/zinc/04/81/70/219048170.db2.gz JYKXUDNSHXUIEY-QWHCGFSZSA-N -1 0 339.819 2.816 50 0 EFAARM CCCCC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000055243627 214293722 /nfs/dbraw/zinc/29/37/22/214293722.db2.gz LGGJKKLIGQVXOZ-HNNXBMFYSA-N -1 0 332.400 2.895 50 0 EFAARM O=C([O-])c1cn(-c2cccc(CO)c2)cc(Oc2ccccc2)c1=O ZINC000055402514 214319898 /nfs/dbraw/zinc/31/98/98/214319898.db2.gz LSNHPAAMBXAWLI-UHFFFAOYSA-N -1 0 337.331 2.820 50 0 EFAARM CCC[C@@H](CC(=O)[O-])NC(=O)CCC(=O)Nc1cc(C)ccc1F ZINC000055403120 214320478 /nfs/dbraw/zinc/32/04/78/214320478.db2.gz NKFHFGVRHOGBCN-LBPRGKRZSA-N -1 0 338.379 2.612 50 0 EFAARM O=C([O-])C[C@@H](CN1C(=S)N=NC1c1ccncc1)c1ccccc1 ZINC000004686599 210248188 /nfs/dbraw/zinc/24/81/88/210248188.db2.gz IJOBYASAKZMXJG-AWEZNQCLSA-N -1 0 340.408 2.887 50 0 EFAARM CC(C)CCn1c2ccc(C(=O)[O-])cc2n(Cc2ccccn2)c1=O ZINC000055568990 214330307 /nfs/dbraw/zinc/33/03/07/214330307.db2.gz SXQNKXIWLPJETN-UHFFFAOYSA-N -1 0 339.395 2.991 50 0 EFAARM O=C([O-])CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000004679832 210246688 /nfs/dbraw/zinc/24/66/88/210246688.db2.gz FOGHRIQCOFAJBP-UHFFFAOYSA-N -1 0 339.800 2.616 50 0 EFAARM COC(=O)C[C@@H](NC(=O)CCC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000004675827 210243243 /nfs/dbraw/zinc/24/32/43/210243243.db2.gz OVXUKMAKAMKICH-LLVKDONJSA-N -1 0 348.182 2.579 50 0 EFAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)NCc1ccc(Cl)cc1 ZINC000004657477 210239752 /nfs/dbraw/zinc/23/97/52/210239752.db2.gz GSQVRHRCCMNWMF-HNNXBMFYSA-N -1 0 332.787 2.835 50 0 EFAARM CSc1sc(C(=O)[O-])c2c1S(=O)(=O)N(C)c1ccccc1-2 ZINC000000125930 295691193 /nfs/dbraw/zinc/69/11/93/295691193.db2.gz 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ZINC000004385071 210184492 /nfs/dbraw/zinc/18/44/92/210184492.db2.gz FZUQBYHJGYTYHR-LBPRGKRZSA-N -1 0 327.336 2.925 50 0 EFAARM Cc1ccccc1Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000101167188 219117996 /nfs/dbraw/zinc/11/79/96/219117996.db2.gz BUDCIVYQXQAJGU-JKSUJKDBSA-N -1 0 338.342 2.628 50 0 EFAARM Cc1cccc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)c1 ZINC000101260602 219119334 /nfs/dbraw/zinc/11/93/34/219119334.db2.gz SXYUEWWGSQBQGB-HOTGVXAUSA-N -1 0 338.342 2.940 50 0 EFAARM CCCC[C@@H](Sc1ccc2nnc(-c3ccccn3)n2n1)C(=O)[O-] ZINC000004327448 210172316 /nfs/dbraw/zinc/17/23/16/210172316.db2.gz YWZBLTAFSBKNAZ-GFCCVEGCSA-N -1 0 343.412 2.922 50 0 EFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C)c4)c=3c2=O)cc1 ZINC000101417327 219126559 /nfs/dbraw/zinc/12/65/59/219126559.db2.gz DYQZMSFZQFUPGV-IAGOWNOFSA-N -1 0 334.379 2.797 50 0 EFAARM Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1Cc1cccc(Cl)c1 ZINC000101449733 219127296 /nfs/dbraw/zinc/12/72/96/219127296.db2.gz OYPFKYKYOPJWCH-ZDUSSCGKSA-N -1 0 340.832 2.501 50 0 EFAARM CSc1nc2n(n1)[C@H](c1ccc(SC)cc1)CC(C(=O)[O-])=N2 ZINC000101446941 219127552 /nfs/dbraw/zinc/12/75/52/219127552.db2.gz RFLQBYFGRLUKFZ-NSHDSACASA-N -1 0 334.426 2.705 50 0 EFAARM CC(C)CCOc1ccc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1 ZINC000101446786 219127607 /nfs/dbraw/zinc/12/76/07/219127607.db2.gz WYARZFHURXYMSM-HNNXBMFYSA-N -1 0 328.372 2.686 50 0 EFAARM COC(=O)c1ccc(NC(=O)CSc2ccccc2C(=O)[O-])cc1 ZINC000004134530 210129718 /nfs/dbraw/zinc/12/97/18/210129718.db2.gz AASLVPZFEXZXTO-UHFFFAOYSA-N -1 0 345.376 2.902 50 0 EFAARM O=C([O-])CCSc1nnc(-c2ccncc2)n1-c1ccccc1 ZINC000004058713 210108743 /nfs/dbraw/zinc/10/87/43/210108743.db2.gz JLPIYAZWNQIINW-UHFFFAOYSA-N -1 0 326.381 2.896 50 0 EFAARM CCCCCCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000004028833 210103687 /nfs/dbraw/zinc/10/36/87/210103687.db2.gz IYBOPHYECVWREG-UHFFFAOYSA-N -1 0 328.412 2.963 50 0 EFAARM O=C([O-])CSc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000045795986 213756495 /nfs/dbraw/zinc/75/64/95/213756495.db2.gz HHBKYYTXRMHMMX-UHFFFAOYSA-N -1 0 329.790 2.621 50 0 EFAARM O=C(CSc1ccccc1C(=O)[O-])Nc1ccc2c(c1)OCO2 ZINC000003434994 210038481 /nfs/dbraw/zinc/03/84/81/210038481.db2.gz MJZMXHYGQLJXMG-UHFFFAOYSA-N -1 0 331.349 2.844 50 0 EFAARM COc1ccc(C([O-])=CS(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000067340703 215134642 /nfs/dbraw/zinc/13/46/42/215134642.db2.gz NZYSIWFSUHJSQL-UHFFFAOYSA-N -1 0 326.320 2.630 50 0 EFAARM O=C([O-])c1nn(CC2CC2)c2c1CN(C(=O)CCC1CCCC1)CC2 ZINC000067868947 215235657 /nfs/dbraw/zinc/23/56/57/215235657.db2.gz LXWVXTBSKHUNLC-UHFFFAOYSA-N -1 0 345.443 2.846 50 0 EFAARM Cc1ccc(CN2CCN(Cc3ccccc3C(=O)[O-])CC2=O)cc1 ZINC000067881839 215240619 /nfs/dbraw/zinc/24/06/19/215240619.db2.gz CHVWKBJTIMRIJU-UHFFFAOYSA-N -1 0 338.407 2.538 50 0 EFAARM COCC[C@@]1(C(=O)[O-])CCCN(c2ccc(-c3ccccc3)nn2)C1 ZINC000067974215 215263709 /nfs/dbraw/zinc/26/37/09/215263709.db2.gz YGPKYLDFGAQLGD-IBGZPJMESA-N -1 0 341.411 2.851 50 0 EFAARM CN1C(=O)S/C(=C\c2cccn2-c2cccc(C(=O)[O-])c2)C1=O ZINC000002379600 209845481 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NC(=O)c1c(SCCc2ccccc2)sc2c1[nH]c(=O)cc2[O-] ZINC000036353577 213087861 /nfs/dbraw/zinc/08/78/61/213087861.db2.gz CNBBRSQBOFTIQS-UHFFFAOYSA-N -1 0 346.433 2.729 50 0 EFAARM Cc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@H]3C(=O)[O-])cc2)cc1 ZINC000036293888 213082195 /nfs/dbraw/zinc/08/21/95/213082195.db2.gz AVPQVWDPMZOMDT-KRWDZBQOSA-N -1 0 345.420 2.900 50 0 EFAARM O=C([O-])COc1cccc(NC(=O)c2ccc(Br)o2)c1 ZINC000004520001 304071395 /nfs/dbraw/zinc/07/13/95/304071395.db2.gz VLWXQNBOEHOAPZ-UHFFFAOYSA-N -1 0 340.129 2.758 50 0 EFAARM COc1cc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)ccc1NC(=O)C(C)C ZINC000071283351 215752599 /nfs/dbraw/zinc/75/25/99/215752599.db2.gz FKLUJGLSEQHKLD-KBPBESRZSA-N -1 0 348.399 2.585 50 0 EFAARM COc1ccc2ccccc2c1CNC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000071283676 215752855 /nfs/dbraw/zinc/75/28/55/215752855.db2.gz LRRCKNSGAHIDAZ-CVEARBPZSA-N -1 0 327.380 2.821 50 0 EFAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 ZINC000071286747 215754880 /nfs/dbraw/zinc/75/48/80/215754880.db2.gz RDKLRFBEINFVGP-VXGBXAGGSA-N -1 0 349.387 2.563 50 0 EFAARM O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000035105594 213009041 /nfs/dbraw/zinc/00/90/41/213009041.db2.gz FSSMDRHHFAUHAH-XPTSAGLGSA-N -1 0 336.775 2.744 50 0 EFAARM O=C([O-])CN(CC(=O)NCCc1cccc(Cl)c1)c1ccccc1 ZINC000034926520 213001178 /nfs/dbraw/zinc/00/11/78/213001178.db2.gz HUSCEQFEKOLSPK-UHFFFAOYSA-N -1 0 346.814 2.590 50 0 EFAARM COc1ccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)NC(C)C)c2)cc1 ZINC000071751399 215809302 /nfs/dbraw/zinc/80/93/02/215809302.db2.gz XORVOJLDGLBQCB-UHFFFAOYSA-N -1 0 349.408 2.747 50 0 EFAARM O=C([O-])c1cc(-c2cc(NCCO)nc3[nH]ccc32)nc2ccccc21 ZINC000072119472 216014257 /nfs/dbraw/zinc/01/42/57/216014257.db2.gz BVHJSSKFYKTXQS-UHFFFAOYSA-N -1 0 348.362 2.881 50 0 EFAARM COc1ncccc1-n1ccnc1-c1ccccc1O[C@H](C)C(=O)[O-] ZINC000072131873 216020543 /nfs/dbraw/zinc/02/05/43/216020543.db2.gz JPXSTPMUAIPWFK-GFCCVEGCSA-N -1 0 339.351 2.795 50 0 EFAARM CC(=O)Nc1ccc2oc(-c3ccc(C(=O)[O-])cc3)c(O)c(=O)c2c1 ZINC000031773449 212747317 /nfs/dbraw/zinc/74/73/17/212747317.db2.gz XOSLFCBEPFCNPB-UHFFFAOYSA-N -1 0 339.303 2.822 50 0 EFAARM O=C([O-])Cc1cc(I)ccc1Br ZINC000098210738 304088478 /nfs/dbraw/zinc/08/84/78/304088478.db2.gz WHMODYPOLXKNLQ-UHFFFAOYSA-N -1 0 340.942 2.681 50 0 EFAARM CCn1c(SCC(=O)[O-])nnc1-c1cc2cccc(OC)c2o1 ZINC000072328136 216152064 /nfs/dbraw/zinc/15/20/64/216152064.db2.gz UTYUDUVUNBDXGY-UHFFFAOYSA-N -1 0 333.369 2.897 50 0 EFAARM COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)[O-])cc1 ZINC000000151197 209455295 /nfs/dbraw/zinc/45/52/95/209455295.db2.gz LDWKDLOTHUWDOO-UHFFFAOYSA-N -1 0 326.304 2.932 50 0 EFAARM O=C([O-])c1nccnc1C(=O)Nc1ccnc2cc(Cl)ccc21 ZINC000072402068 216193926 /nfs/dbraw/zinc/19/39/26/216193926.db2.gz IFUIWFGXCTUZMS-UHFFFAOYSA-N -1 0 328.715 2.629 50 0 EFAARM CC(C)c1nc(-c2ccccc2NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)n[nH]1 ZINC000072401297 216194385 /nfs/dbraw/zinc/19/43/85/216194385.db2.gz JWCARFZCBORIHB-STQMWFEESA-N 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/nfs/dbraw/zinc/22/18/22/216221822.db2.gz IUQRJFWUXWBPLE-HNNXBMFYSA-N -1 0 344.411 2.571 50 0 EFAARM O=C([O-])C1(Oc2cccc(F)c2)CCN(C(=O)[C@@H]2CC23CCC3)CC1 ZINC000072427032 216217769 /nfs/dbraw/zinc/21/77/69/216217769.db2.gz XQGWRPNICZOHGS-HNNXBMFYSA-N -1 0 347.386 2.841 50 0 EFAARM CSCC[C@H](NC(=O)Cc1coc2cc(C)c(C)cc12)C(=O)[O-] ZINC000072427686 216218752 /nfs/dbraw/zinc/21/87/52/216218752.db2.gz OVLWFLXRYMNGPT-AWEZNQCLSA-N -1 0 335.425 2.915 50 0 EFAARM CCn1ccnc1CN1CCC(Oc2ccccc2F)(C(=O)[O-])CC1 ZINC000072475742 216253405 /nfs/dbraw/zinc/25/34/05/216253405.db2.gz MNHINQHFKMWXBW-UHFFFAOYSA-N -1 0 347.390 2.540 50 0 EFAARM O=C([O-])c1ccc(C[C@H]2CCN(C(=O)CCn3cccc3)C2)cc1 ZINC000072480442 216260415 /nfs/dbraw/zinc/26/04/15/216260415.db2.gz CAODXEHHDVXUHK-MRXNPFEDSA-N -1 0 326.396 2.668 50 0 EFAARM CC(C)=CCC/C(C)=C/CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@@H]3C1=O ZINC000023424171 212376642 /nfs/dbraw/zinc/37/66/42/212376642.db2.gz QUOGRGMWDHAAQO-QPANOJCGSA-N -1 0 331.412 2.546 50 0 EFAARM O=C([O-])CC[C@@H](NC(=O)COCc1ccccc1)c1ccccc1 ZINC000193455037 240171343 /nfs/dbraw/zinc/17/13/43/240171343.db2.gz SUWSMVIHUTZELR-QGZVFWFLSA-N -1 0 327.380 2.926 50 0 EFAARM CCC[C@H](NC(=O)NCc1cccc(Br)c1)C(=O)[O-] ZINC000022219814 212282272 /nfs/dbraw/zinc/28/22/72/212282272.db2.gz KZBNJQZQWKZICJ-NSHDSACASA-N -1 0 329.194 2.502 50 0 EFAARM Cc1nc(-c2ccc([C@H](C)N3CCOCC3)cc2)c(Cl)c(=O)[n-]1 ZINC000216529542 241201167 /nfs/dbraw/zinc/20/11/67/241201167.db2.gz FDSQZZIMHTUVCG-NSHDSACASA-N -1 0 333.819 2.792 50 0 EFAARM O=C([O-])c1ccc(C(=O)N2CCC(COc3ccccc3)CC2)cn1 ZINC000237986299 242885846 /nfs/dbraw/zinc/88/58/46/242885846.db2.gz INQXVFXDLJZNMO-UHFFFAOYSA-N -1 0 340.379 2.711 50 0 EFAARM CSCC[C@@H](NC(=O)c1ccc(N2CCCCC2)cc1)C(=O)[O-] ZINC000244685630 243057065 /nfs/dbraw/zinc/05/70/65/243057065.db2.gz ITQZAGBYZCMAIH-OAHLLOKOSA-N -1 0 336.457 2.613 50 0 EFAARM COc1cccc2c1ccn2CC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000245256121 243102665 /nfs/dbraw/zinc/10/26/65/243102665.db2.gz NVQCOIGDYQUBQA-HDJSIYSDSA-N -1 0 344.411 2.657 50 0 EFAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000020718188 212163271 /nfs/dbraw/zinc/16/32/71/212163271.db2.gz FSSMDRHHFAUHAH-YMTOWFKASA-N -1 0 336.775 2.744 50 0 EFAARM O=C([O-])C1CCC(CNC(=O)Cn2ccc3ccc(F)cc32)CC1 ZINC000020723789 212165206 /nfs/dbraw/zinc/16/52/06/212165206.db2.gz OAZBJWHVPCKLEU-UHFFFAOYSA-N -1 0 332.375 2.788 50 0 EFAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccccc1Cc1ccccc1 ZINC000020614730 212155110 /nfs/dbraw/zinc/15/51/10/212155110.db2.gz MNITTZVNOMUEBN-UHFFFAOYSA-N -1 0 335.363 2.961 50 0 EFAARM Cc1ccccc1[C@]1(O)CCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000253536471 244012742 /nfs/dbraw/zinc/01/27/42/244012742.db2.gz GGKZEPOUIXVKHH-SFHVURJKSA-N -1 0 341.436 2.799 50 0 EFAARM O=C([O-])CSC1=N[C@H](c2ccccc2)C(c2ccccc2)=NN1 ZINC000020395687 212124257 /nfs/dbraw/zinc/12/42/57/212124257.db2.gz KAKAKJXNLSXLNR-OAHLLOKOSA-N -1 0 325.393 2.909 50 0 EFAARM Cc1cc(NC(=S)NC(=O)c2ccccc2)cc(C(=O)[O-])c1O ZINC000020151457 212106889 /nfs/dbraw/zinc/10/68/89/212106889.db2.gz QXFNCZFSMPGADZ-UHFFFAOYSA-N -1 0 330.365 2.526 50 0 EFAARM Cc1nc2n(n1)[C@H](c1ccc(OCCC(C)C)cc1)CC(C(=O)[O-])=N2 ZINC000019962545 212090204 /nfs/dbraw/zinc/09/02/04/212090204.db2.gz QALWXYBYPBJJCZ-INIZCTEOSA-N -1 0 342.399 2.995 50 0 EFAARM O=C([O-])c1ccc(-n2nnnc2SCc2cccc(F)c2)cc1 ZINC000019853564 212076213 /nfs/dbraw/zinc/07/62/13/212076213.db2.gz VZZJPNSAHJTOBM-UHFFFAOYSA-N -1 0 330.344 2.792 50 0 EFAARM CC[C@]1(c2ccccc2)C(=O)[N-]C(=O)N(CN2CCCCC2)C1=O ZINC000019799258 212070258 /nfs/dbraw/zinc/07/02/58/212070258.db2.gz ZTYRCJNTGWMELW-SFHVURJKSA-N -1 0 329.400 2.697 50 0 EFAARM COc1cc(-c2cc(C(=O)[O-])c3c(C)[nH]nc3n2)cc(OC)c1OC ZINC000049543430 214015549 /nfs/dbraw/zinc/01/55/49/214015549.db2.gz MWPOGFDOHVRETG-UHFFFAOYSA-N -1 0 343.339 2.657 50 0 biogenic EFAARM COc1cc(OC)c(-c2cc(C(=O)[O-])c3c(C)[nH]nc3n2)cc1OC ZINC000049543401 214015893 /nfs/dbraw/zinc/01/58/93/214015893.db2.gz MDCRVYAKCSABKK-UHFFFAOYSA-N -1 0 343.339 2.657 50 0 biogenic EFAARM O=C([O-])c1ccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)cc1 ZINC000049551642 214018959 /nfs/dbraw/zinc/01/89/59/214018959.db2.gz DGWOGCWQEQADLI-AWEZNQCLSA-N -1 0 342.376 2.826 50 0 EFAARM CC(C)OC(=O)c1ccsc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000017070866 211951189 /nfs/dbraw/zinc/95/11/89/211951189.db2.gz JITIJKRLSWQMRN-QWRGUYRKSA-N -1 0 337.397 2.919 50 0 EFAARM CC[C@@H](C)[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000080357107 217300604 /nfs/dbraw/zinc/30/06/04/217300604.db2.gz IYFKCFCIYMZYHF-IAQYHMDHSA-N -1 0 332.425 2.968 50 0 EFAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)CCc3cnccn3)C2)c1 ZINC000426487980 247287416 /nfs/dbraw/zinc/28/74/16/247287416.db2.gz JVUYYYBQULSDFW-MRXNPFEDSA-N -1 0 339.395 2.514 50 0 EFAARM O=C(CCC1=Nc2ccccc2S(=O)(=O)[N-]1)Nc1ccc(F)cc1 ZINC000012415299 211372752 /nfs/dbraw/zinc/37/27/52/211372752.db2.gz VUSORLZCMXDDCL-UHFFFAOYSA-N -1 0 347.371 2.567 50 0 EFAARM Cn1ccc(-c2cc(C(F)F)c3c(C4CC4)nn(CC(=O)[O-])c3n2)n1 ZINC000012397005 211367393 /nfs/dbraw/zinc/36/73/93/211367393.db2.gz XZEZBPMSJKMFEG-UHFFFAOYSA-N -1 0 347.325 2.731 50 0 EFAARM CC(C)(C)OC(=O)N[C@H](c1ccc2ccccc2c1)[C@@H](O)C(=O)[O-] ZINC000012351520 211354397 /nfs/dbraw/zinc/35/43/97/211354397.db2.gz DQUFRNIKBQMWFX-HUUCEWRRSA-N -1 0 331.368 2.851 50 0 EFAARM O=C([O-])c1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000012138572 211302642 /nfs/dbraw/zinc/30/26/42/211302642.db2.gz XFSGVJVEFLOEMU-UHFFFAOYSA-N -1 0 338.363 2.873 50 0 EFAARM O=C([O-])[C@@]1(CC2CC2)CCCN(C(=O)CCc2cc(Cl)no2)C1 ZINC000091593758 218028705 /nfs/dbraw/zinc/02/87/05/218028705.db2.gz VLLXZHWXDTZDSJ-MRXNPFEDSA-N -1 0 340.807 2.754 50 0 EFAARM CSc1ccccc1C(=O)N1C[C@@H](c2cccnc2)[C@H](C(=O)[O-])C1 ZINC000091595497 218029636 /nfs/dbraw/zinc/02/96/36/218029636.db2.gz RTLBSLDAQNTLPL-LSDHHAIUSA-N -1 0 342.420 2.744 50 0 EFAARM Cc1cc(N(C)CCN2CCCCC2=O)nc(-c2ccccc2[O-])n1 ZINC000091706915 218051893 /nfs/dbraw/zinc/05/18/93/218051893.db2.gz GXJKGVWMDXHWPW-UHFFFAOYSA-N -1 0 340.427 2.606 50 0 EFAARM COc1cc(-c2cc(C(=O)[O-])c3nc(C)[nH]c3n2)cc(OC)c1OC ZINC000011694726 211237548 /nfs/dbraw/zinc/23/75/48/211237548.db2.gz RPZAWKKBUBSSES-UHFFFAOYSA-N -1 0 343.339 2.657 50 0 EFAARM COc1ccc2oc(=O)c(-c3ccc(OCC(=O)[O-])cc3)cc2c1 ZINC000011765982 211246896 /nfs/dbraw/zinc/24/68/96/211246896.db2.gz PJNXNSAKKISDBB-UHFFFAOYSA-N -1 0 326.304 2.932 50 0 EFAARM COCC[C@]1(C(=O)[O-])CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000091943350 218091996 /nfs/dbraw/zinc/09/19/96/218091996.db2.gz NHHBATYMFYFCOQ-CQSZACIVSA-N -1 0 332.322 2.808 50 0 EFAARM CCOCCOc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000010325452 211164801 /nfs/dbraw/zinc/16/48/01/211164801.db2.gz XTWSALUWGUBDCD-HOTGVXAUSA-N -1 0 335.400 2.931 50 0 EFAARM CCCC[C@@H](NC(=O)c1cc2c([nH]1)c(OC)ccc2OC)C(=O)[O-] ZINC000009134177 211043331 /nfs/dbraw/zinc/04/33/31/211043331.db2.gz OPLIOEGOJSQEKG-LLVKDONJSA-N -1 0 334.372 2.558 50 0 EFAARM CCn1nc(C)cc1C(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095357608 218290453 /nfs/dbraw/zinc/29/04/53/218290453.db2.gz MSVPAVCWGKIZAJ-INIZCTEOSA-N -1 0 341.411 2.929 50 0 EFAARM Cn1ncc(Cl)c1C(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095366663 218299149 /nfs/dbraw/zinc/29/91/49/218299149.db2.gz WGSHSRWRUSHKMP-CYBMUJFWSA-N -1 0 347.802 2.792 50 0 EFAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)CCCn3ccnc3)C2)c1 ZINC000095368537 218301133 /nfs/dbraw/zinc/30/11/33/218301133.db2.gz UMHWFXNIXXPVLH-QGZVFWFLSA-N -1 0 341.411 2.768 50 0 EFAARM COc1ccc([C@@H](C(=O)[O-])N(C)Cc2c(C)nn(C)c2C)c(C)c1 ZINC000095373881 218306950 /nfs/dbraw/zinc/30/69/50/218306950.db2.gz NNEPQVFVHRBZNP-KRWDZBQOSA-N -1 0 331.416 2.612 50 0 EFAARM COc1cc(C)cc(OC)c1[C@H](C(=O)[O-])N(C)Cc1cc(C)no1 ZINC000095377359 218310170 /nfs/dbraw/zinc/31/01/70/218310170.db2.gz SAEDKARZTIPOCW-MRXNPFEDSA-N -1 0 334.372 2.566 50 0 EFAARM CC(C)C(=O)Nc1ccc([C@@H](C(=O)[O-])N(C)Cc2ccon2)cc1 ZINC000095379012 218311088 /nfs/dbraw/zinc/31/10/88/218311088.db2.gz GDSZXWDCZCANBX-HNNXBMFYSA-N -1 0 331.372 2.527 50 0 EFAARM O=C([O-])c1cc(Br)cc(I)c1 ZINC000000156377 304221145 /nfs/dbraw/zinc/22/11/45/304221145.db2.gz MKJBJYCBKXPQSY-UHFFFAOYSA-N -1 0 326.915 2.752 50 0 EFAARM Cc1nn(C)c(C)c1[C@H](C(=O)[O-])N1CC=C(c2ccccc2)CC1 ZINC000095382360 218314686 /nfs/dbraw/zinc/31/46/86/218314686.db2.gz PIYSDHDRPOTKPD-GOSISDBHSA-N -1 0 325.412 2.952 50 0 EFAARM O=C([O-])c1cc(Br)ccc1I ZINC000001732278 304221449 /nfs/dbraw/zinc/22/14/49/304221449.db2.gz IGBNDUKRHPTOBP-UHFFFAOYSA-N -1 0 326.915 2.752 50 0 EFAARM COc1ccc([C@@H](C(=O)[O-])N(C)Cc2c(C)nn(C)c2C)cc1C ZINC000095385267 218317110 /nfs/dbraw/zinc/31/71/10/218317110.db2.gz UIIGWSGAIWUTON-KRWDZBQOSA-N -1 0 331.416 2.612 50 0 EFAARM COc1ccc(F)c([C@@H](C(=O)[O-])N(C)Cc2cc(C3CC3)n[nH]2)c1 ZINC000095386595 218318096 /nfs/dbraw/zinc/31/80/96/218318096.db2.gz SWEYHEYUWUXNCK-INIZCTEOSA-N -1 0 333.363 2.693 50 0 EFAARM CN(Cc1ccccn1)[C@@H](C(=O)[O-])c1cnn(Cc2ccccc2)c1 ZINC000095392821 218325313 /nfs/dbraw/zinc/32/53/13/218325313.db2.gz OQQLTHDWNYCRIV-GOSISDBHSA-N -1 0 336.395 2.584 50 0 EFAARM Cc1nnc(SCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[n-]c1=O ZINC000008753730 211000993 /nfs/dbraw/zinc/00/09/93/211000993.db2.gz WRFZJVDMSKNDAC-RAIGVLPGSA-N -1 0 339.461 2.982 50 0 EFAARM O=C1Nc2ccc(S(=O)(=O)[N-]c3nccs3)c3cccc1c23 ZINC000008715491 210988598 /nfs/dbraw/zinc/98/85/98/210988598.db2.gz YDBWDGVDDOVOOY-UHFFFAOYSA-N -1 0 331.378 2.663 50 0 EFAARM O=C([O-])c1cc(C2CC2)nc2c1c(=O)[nH]c(=S)n2C1CCCC1 ZINC000012394892 304223924 /nfs/dbraw/zinc/22/39/24/304223924.db2.gz SLESXAMDCPVFHW-UHFFFAOYSA-N -1 0 331.397 2.771 50 0 EFAARM O=C([O-])c1cc(I)cc(C(F)(F)F)c1O ZINC000094986138 304225492 /nfs/dbraw/zinc/22/54/92/304225492.db2.gz XWXRHLBKFJIEAM-UHFFFAOYSA-N -1 0 332.015 2.714 50 0 EFAARM COc1ccc(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])c(OC)c1 ZINC000006700428 210684102 /nfs/dbraw/zinc/68/41/02/210684102.db2.gz PWKRBBKGDFKAMA-JKGUZNAFSA-N -1 0 333.384 2.779 50 0 EFAARM CCCOC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCC2 ZINC000005952052 210565784 /nfs/dbraw/zinc/56/57/84/210565784.db2.gz DFXAVKMYRGNKHM-UHFFFAOYSA-N -1 0 339.413 2.997 50 0 EFAARM Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)[O-])cc3)CC2=O)cc1 ZINC000005794399 210539083 /nfs/dbraw/zinc/53/90/83/210539083.db2.gz WJOQWQDDOYSUIF-CQSZACIVSA-N -1 0 338.363 2.685 50 0 EFAARM Cc1c(Cl)cccc1N(CC(=O)[O-])S(=O)(=O)c1ccccc1 ZINC000004977035 210346329 /nfs/dbraw/zinc/34/63/29/210346329.db2.gz QTUHKNQNKXSXBD-UHFFFAOYSA-N -1 0 339.800 2.928 50 0 EFAARM COc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000000037946 208554621 /nfs/dbraw/zinc/55/46/21/208554621.db2.gz IUJUDKHYWKXAIY-KRWDZBQOSA-N -1 0 338.363 2.602 50 0 biogenic,in-vitro EFAARM O=C([O-])CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000004839907 210294798 /nfs/dbraw/zinc/29/47/98/210294798.db2.gz ADFFJWTXYKDKCL-UHFFFAOYSA-N -1 0 343.763 2.759 50 0 EFAARM O=C([O-])/C(=C\c1ccccc1)NC(=O)c1ccc(Br)o1 ZINC000004833449 210291929 /nfs/dbraw/zinc/29/19/29/210291929.db2.gz IYTYESIAKCAKHZ-CSKARUKUSA-N -1 0 336.141 2.898 50 0 EFAARM 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RLVVFIBEBUQGNV-MRXNPFEDSA-N -1 0 342.395 2.938 50 0 EFAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)CCCn3cccn3)C2)c1 ZINC000299787823 258094464 /nfs/dbraw/zinc/09/44/64/258094464.db2.gz RCZJYUDASVRGBO-KRWDZBQOSA-N -1 0 341.411 2.768 50 0 EFAARM CCc1nc2cc(NC(C)=O)cc(C(=O)[O-])c2n1Cc1cccnc1 ZINC000299792144 258097281 /nfs/dbraw/zinc/09/72/81/258097281.db2.gz DXVVCYVQPRXVAN-UHFFFAOYSA-N -1 0 338.367 2.699 50 0 EFAARM Cc1ccccc1C(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)[O-])C2 ZINC000299793926 258098763 /nfs/dbraw/zinc/09/87/63/258098763.db2.gz IGSPSDNXUCYTJO-SECBINFHSA-N -1 0 330.365 2.534 50 0 EFAARM O=C(CCc1cc(=O)[n-]o1)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000299794903 258099650 /nfs/dbraw/zinc/09/96/50/258099650.db2.gz LOZWXNCASOTOPM-LBPRGKRZSA-N -1 0 341.367 2.860 50 0 EFAARM COc1ccc(S(=O)(=O)[N-]c2c3ncn(C)c3cc(C)c2C)cc1 ZINC000001385930 258049120 /nfs/dbraw/zinc/04/91/20/258049120.db2.gz CZJDDQLOLWHWSJ-UHFFFAOYSA-N -1 0 345.424 3.000 50 0 EFAARM CC(C)(C)OC(=O)NCCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002541726 258049855 /nfs/dbraw/zinc/04/98/55/258049855.db2.gz LYVBDMQVKANIFJ-MRXNPFEDSA-N -1 0 346.424 2.659 50 0 EFAARM CCOc1ccc(-c2ccnc(NCC(C)(C)CO)n2)cc1C(=O)[O-] ZINC000072477786 258065081 /nfs/dbraw/zinc/06/50/81/258065081.db2.gz FHUOVSBRUWXJCY-UHFFFAOYSA-N -1 0 345.399 2.671 50 0 EFAARM O=C([O-])[C@H]1CCCN(c2nccn3nc(-c4ccc(F)cc4)cc23)C1 ZINC000057509292 132200859 /nfs/dbraw/zinc/20/08/59/132200859.db2.gz JNYIEOHSPLGAPQ-ZDUSSCGKSA-N -1 0 340.358 2.836 50 0 EFAARM Cc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])C[C@H]2C)cc1 ZINC000006714193 135675615 /nfs/dbraw/zinc/67/56/15/135675615.db2.gz VAHKKTOMJPBURV-NXHRZFHOSA-N -1 0 344.455 2.923 50 0 EFAARM CC[C@@]1(C)Cc2ccccc2-c2nc3n(c(=O)c21)C[C@H](C(=O)[O-])S3 ZINC000002950459 287428978 /nfs/dbraw/zinc/42/89/78/287428978.db2.gz VDAPNVZXLUHNHH-XIKOKIGWSA-N -1 0 342.420 2.693 50 0 EFAARM COC(=O)c1cc2c(cc1Cl)Nc1ccccc1[N-]S2(=O)=O ZINC000035327285 277424773 /nfs/dbraw/zinc/42/47/73/277424773.db2.gz KBOOHIHYEWSNLX-UHFFFAOYSA-N -1 0 338.772 2.984 50 0 EFAARM CC(=O)N[C@@H]1CN(c2cc(C(=O)[O-])c3ccccc3n2)C[C@H]1C(C)C ZINC000077504626 278150572 /nfs/dbraw/zinc/15/05/72/278150572.db2.gz LTODDCLYHXNANW-DOTOQJQBSA-N -1 0 341.411 2.530 50 0 EFAARM CC(C)C(=O)O[C@H](C)OC(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000013973998 278693375 /nfs/dbraw/zinc/69/33/75/278693375.db2.gz TZDUHAJSIBHXDL-LBPRGKRZSA-N -1 0 329.393 2.683 50 0 fda EFAARM CC(C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)[O-] ZINC000000226478 279899404 /nfs/dbraw/zinc/89/94/04/279899404.db2.gz XJXJKMLEDSUBKP-MRXNPFEDSA-N -1 0 340.379 2.778 50 0 EFAARM Cc1c2cc(F)ccc2[nH]c1CN1CCc2nc[nH]c2[C@H]1C(=O)[O-] ZINC000072429214 280264061 /nfs/dbraw/zinc/26/40/61/280264061.db2.gz JROALCITXKRUTO-INIZCTEOSA-N -1 0 328.347 2.523 50 0 EFAARM CC(C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)[O-] ZINC000000226476 280318069 /nfs/dbraw/zinc/31/80/69/280318069.db2.gz XJXJKMLEDSUBKP-INIZCTEOSA-N -1 0 340.379 2.778 50 0 EFAARM CCc1cc(C(=O)OC)c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC000000214880 288520564 /nfs/dbraw/zinc/52/05/64/288520564.db2.gz VMQUYEBCLBBMKM-GHMZBOCLSA-N -1 0 339.413 2.927 50 0 EFAARM COc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@]3(CCCO3)CC2)c1 ZINC000097568952 294944902 /nfs/dbraw/zinc/94/49/02/294944902.db2.gz MTEXOWYEJVFLNC-SFHVURJKSA-N -1 0 333.384 2.569 50 0 EFAARM COc1cc2c(cc1OC)[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)CC2 ZINC000002555495 295040168 /nfs/dbraw/zinc/04/01/68/295040168.db2.gz MZMFBUXQGFWLHV-AWEZNQCLSA-N -1 0 337.372 2.623 50 0 EFAARM COc1ccc(-c2csc3ncn([C@@H](C)C(=O)[O-])c(=O)c23)cc1 ZINC000000065096 295047827 /nfs/dbraw/zinc/04/78/27/295047827.db2.gz MOUVQUVXJSMHBE-VIFPVBQESA-N -1 0 330.365 2.779 50 0 EFAARM Cc1ccn2c(c1)nc1c2[C@H](c2ccc(C(=O)[O-])s2)CC(=O)NC1 ZINC000065403535 302259143 /nfs/dbraw/zinc/25/91/43/302259143.db2.gz ZMECYNMNWYZXOQ-JTQLQIEISA-N -1 0 341.392 2.554 50 0 EFAARM CN(Cc1cccc(C(F)(F)F)c1)Cc1cnc(C(=O)[O-])cn1 ZINC000530161915 317066107 /nfs/dbraw/zinc/06/61/07/317066107.db2.gz KNQHQRDGURVYAV-UHFFFAOYSA-N -1 0 325.290 2.826 50 0 EFAARM COc1cc(S(=O)(=O)[N-]c2cc(C)ccn2)c(OC)cc1Cl ZINC000036638852 463437758 /nfs/dbraw/zinc/43/77/58/463437758.db2.gz HRHHYWIGQMRQFY-UHFFFAOYSA-N -1 0 342.804 2.861 50 0 EFAARM CSCC[C@@H](NC(=O)Cn1ccc2cc(Cl)ccc21)C(=O)[O-] ZINC000071332993 472549012 /nfs/dbraw/zinc/54/90/12/472549012.db2.gz SLMWUDZCGQUWPN-GFCCVEGCSA-N -1 0 340.832 2.617 50 0 EFAARM CCn1nc(C(C)C)cc1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000095521034 473219474 /nfs/dbraw/zinc/21/94/74/473219474.db2.gz OGJQSANBKTXYQQ-UHFFFAOYSA-N -1 0 329.400 2.697 50 0 EFAARM O=C([O-])C1(Oc2cccc(F)c2)CCN(c2ncccc2F)CC1 ZINC000082087342 473286075 /nfs/dbraw/zinc/28/60/75/473286075.db2.gz IRBUBZBAEJGAON-UHFFFAOYSA-N -1 0 334.322 2.862 50 0 EFAARM COc1ccccc1OC1(C(=O)[O-])CCN(c2ccncc2F)CC1 ZINC000082147774 473295258 /nfs/dbraw/zinc/29/52/58/473295258.db2.gz AZDMTCGFQOVJIM-UHFFFAOYSA-N -1 0 346.358 2.732 50 0 EFAARM O=S(=O)([N-]c1cnn([C@H]2CCOC2)c1)c1ccc2c(c1)CCCC2 ZINC000096123279 473308442 /nfs/dbraw/zinc/30/84/42/473308442.db2.gz NKRSQBWIMMVSQN-INIZCTEOSA-N -1 0 347.440 2.524 50 0 EFAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cnn([C@@H]3CCOC3)c2)c1C ZINC000096123294 473308775 /nfs/dbraw/zinc/30/87/75/473308775.db2.gz YIFKOEPLPPOXDF-MRXNPFEDSA-N -1 0 349.456 2.879 50 0 EFAARM COCCc1nc(-c2cc(C)oc2-c2ccccc2)n(CC(=O)[O-])n1 ZINC000096148791 473314581 /nfs/dbraw/zinc/31/45/81/473314581.db2.gz LTYCNOSGDQSXPA-UHFFFAOYSA-N -1 0 341.367 2.787 50 0 EFAARM O=C([O-])c1cc(I)c(Br)cc1F ZINC000162572297 473358124 /nfs/dbraw/zinc/35/81/24/473358124.db2.gz QFENAFBNTYORBR-UHFFFAOYSA-N -1 0 344.905 2.891 50 0 EFAARM COC(=O)C[C@@H](CC(C)C)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000096231987 473360901 /nfs/dbraw/zinc/36/09/01/473360901.db2.gz JUBWLZBWYQBKDG-SNVBAGLBSA-N -1 0 338.791 2.746 50 0 EFAARM Cc1ccccc1Oc1ccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000000074864 471319496 /nfs/dbraw/zinc/31/94/96/471319496.db2.gz BEVDAZGEAPNZSM-LBPRGKRZSA-N -1 0 335.381 2.539 50 0 EFAARM COc1ccc(-n2nnnc2SCc2ccc(C(=O)[O-])cc2)cc1 ZINC000000107839 471324413 /nfs/dbraw/zinc/32/44/13/471324413.db2.gz DQMNITOYRRQPON-UHFFFAOYSA-N -1 0 342.380 2.661 50 0 EFAARM COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000000104850 471324631 /nfs/dbraw/zinc/32/46/31/471324631.db2.gz QHBHFAWXYGGLGG-MRXNPFEDSA-N -1 0 329.352 2.650 50 0 biogenic EFAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccccc2C)cc1OC ZINC000000118285 471325006 /nfs/dbraw/zinc/32/50/06/471325006.db2.gz IJOFQDVWHVHWMR-OAHLLOKOSA-N -1 0 343.379 2.958 50 0 EFAARM CCOC(=O)c1[nH]c2ccc(C(=O)OCC)cc2c1CCC(=O)[O-] ZINC000000113098 471325239 /nfs/dbraw/zinc/32/52/39/471325239.db2.gz RHCUGKZBQXHVAL-UHFFFAOYSA-N -1 0 333.340 2.539 50 0 EFAARM COc1ccc2c(c1OC)C(=O)N(c1cccc(/C=C/C(=O)[O-])c1)C2 ZINC000000171295 471330590 /nfs/dbraw/zinc/33/05/90/471330590.db2.gz VOROGWJERQAZNC-RMKNXTFCSA-N -1 0 339.347 2.962 50 0 EFAARM Cc1ccccc1Cn1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cn1 ZINC000000205176 471334722 /nfs/dbraw/zinc/33/47/22/471334722.db2.gz FXDHGAUQECTXSQ-IRXDYDNUSA-N -1 0 339.395 2.845 50 0 EFAARM CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000000214891 471337350 /nfs/dbraw/zinc/33/73/50/471337350.db2.gz CZSTXXFUQGCNDP-QWRGUYRKSA-N -1 0 337.397 2.839 50 0 EFAARM COc1cc(C(=O)Nc2c(C)cccc2C(=O)[O-])cc(OC)c1OC ZINC000000237474 471338860 /nfs/dbraw/zinc/33/88/60/471338860.db2.gz OWXBEKODKLQHSZ-UHFFFAOYSA-N -1 0 345.351 2.971 50 0 EFAARM COc1ccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2c2ccc(OC)cc2)cc1 ZINC000000269741 471342794 /nfs/dbraw/zinc/34/27/94/471342794.db2.gz XKBKJKQBOSAGPZ-FUHWJXTLSA-N -1 0 341.363 2.883 50 0 EFAARM COc1ccccc1C(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1C ZINC000000309389 471345586 /nfs/dbraw/zinc/34/55/86/471345586.db2.gz QAKVTHMRAHWFMT-UHFFFAOYSA-N -1 0 344.392 2.829 50 0 EFAARM COc1cccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000000308330 471345717 /nfs/dbraw/zinc/34/57/17/471345717.db2.gz RCMUVFUYHGBHCV-UHFFFAOYSA-N -1 0 344.392 2.829 50 0 EFAARM COc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@@H](c2ccco2)C1 ZINC000000376040 471352963 /nfs/dbraw/zinc/35/29/63/471352963.db2.gz NARIVMLVRMYFLW-CQSZACIVSA-N -1 0 342.351 2.831 50 0 EFAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1 ZINC000000414670 471355782 /nfs/dbraw/zinc/35/57/82/471355782.db2.gz PUGDPGRUYMAXFO-UHFFFAOYSA-N -1 0 342.376 2.822 50 0 EFAARM O=C(CCCn1c(=S)[n-]c2ccccc2c1=O)NCc1ccco1 ZINC000000425038 471358107 /nfs/dbraw/zinc/35/81/07/471358107.db2.gz LOBLIRJGEHWKHR-UHFFFAOYSA-N -1 0 343.408 2.749 50 0 EFAARM O=C([O-])[C@@H]1CS[C@H](c2ccc(OC(=O)c3ccccc3)cc2)N1 ZINC000000565305 471371748 /nfs/dbraw/zinc/37/17/48/471371748.db2.gz WDULMLZFVDBMJZ-LSDHHAIUSA-N -1 0 329.377 2.694 50 0 EFAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1OC ZINC000000583256 471373096 /nfs/dbraw/zinc/37/30/96/471373096.db2.gz CGASUUFBSYLLQC-UHFFFAOYSA-N -1 0 335.381 2.591 50 0 EFAARM O=C([O-])c1cccc(NC(=O)[C@@H]2CC(=O)O[C@H]2c2ccccc2)c1 ZINC000000617684 471374904 /nfs/dbraw/zinc/37/49/04/471374904.db2.gz ZLKSYHINXQLYIC-ZBFHGGJFSA-N -1 0 325.320 2.628 50 0 EFAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl ZINC000001164432 471382121 /nfs/dbraw/zinc/38/21/21/471382121.db2.gz UKOIUDWMCVKNNA-UHFFFAOYSA-N -1 0 341.772 2.848 50 0 EFAARM C[C@@H](NC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3)c1ccccc1 ZINC000001321789 471384526 /nfs/dbraw/zinc/38/45/26/471384526.db2.gz XBKQBMOXCRKMDU-GFCCVEGCSA-N -1 0 334.375 2.754 50 0 EFAARM Nc1ccc(S(=O)(=O)[N-]c2nccc(-c3ccc(F)cc3)n2)cc1 ZINC000001396202 471388809 /nfs/dbraw/zinc/38/88/09/471388809.db2.gz NOFGZCFGHGXVBU-UHFFFAOYSA-N -1 0 344.371 2.666 50 0 EFAARM COc1cc(OC)nc(-c2sc3ccccc3c2OCC(=O)[O-])n1 ZINC000001742588 471397028 /nfs/dbraw/zinc/39/70/28/471397028.db2.gz NWXWXPSVRMHMNE-UHFFFAOYSA-N -1 0 346.364 2.839 50 0 EFAARM CCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000001772114 471398257 /nfs/dbraw/zinc/39/82/57/471398257.db2.gz XBAMHXNPKHBLJT-UHFFFAOYSA-N -1 0 337.401 2.913 50 0 EFAARM CC1(C)C[C@@](CCNC(=O)CCC(=O)[O-])(c2ccccc2)CCO1 ZINC000002110251 471401568 /nfs/dbraw/zinc/40/15/68/471401568.db2.gz LRLCVRAFFOKFPB-IBGZPJMESA-N -1 0 333.428 2.885 50 0 biogenic EFAARM Cc1cccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000002079118 471401759 /nfs/dbraw/zinc/40/17/59/471401759.db2.gz BNPYWBCWMMSNJC-UHFFFAOYSA-N -1 0 339.800 2.928 50 0 EFAARM COC(=O)C1=C([O-])c2c(C)c(C(=O)OC3CCCC3)[nH]c2C[C@H]1C ZINC000002499388 471409707 /nfs/dbraw/zinc/40/97/07/471409707.db2.gz DJLGSTKNGBXRSF-NOZJJQNGSA-N -1 0 333.384 2.587 50 0 EFAARM O=C([N-]S(=O)(=O)c1ccc2ccccc2c1)c1ccccc1O ZINC000002709237 471417904 /nfs/dbraw/zinc/41/79/04/471417904.db2.gz XMBKAIOCNYERBO-UHFFFAOYSA-N -1 0 327.361 2.664 50 0 EFAARM COC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000002767015 471420495 /nfs/dbraw/zinc/42/04/95/471420495.db2.gz DDWOQNVDSJRUGO-MNOVXSKESA-N -1 0 339.413 2.981 50 0 EFAARM COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2OC)cc1OC ZINC000002888484 471427744 /nfs/dbraw/zinc/42/77/44/471427744.db2.gz OCBXKQUEFPTLAP-UHFFFAOYSA-N -1 0 337.397 2.822 50 0 EFAARM Cc1cc(N)n(-c2ccc(Oc3ccccc3)c(S(=O)(=O)[O-])c2)n1 ZINC000002947801 471428471 /nfs/dbraw/zinc/42/84/71/471428471.db2.gz PQDHJSKHHZLSRJ-UHFFFAOYSA-N -1 0 345.380 2.802 50 0 EFAARM CC(=O)Oc1ccc(NC(=O)[C@H](C)Oc2ccccc2)c(C(=O)[O-])c1 ZINC000003004659 471430062 /nfs/dbraw/zinc/43/00/62/471430062.db2.gz FHPKEQPEPKCKTA-NSHDSACASA-N -1 0 343.335 2.716 50 0 EFAARM O=C([O-])/C(=C\c1ccc(Br)o1)NC(=O)c1ccccc1 ZINC000003154282 471435216 /nfs/dbraw/zinc/43/52/16/471435216.db2.gz UJMACTFXQDQYSQ-DHZHZOJOSA-N -1 0 336.141 2.898 50 0 EFAARM COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000003251871 471438531 /nfs/dbraw/zinc/43/85/31/471438531.db2.gz VFXOEAGOHDEMBF-UHFFFAOYSA-N -1 0 335.381 2.527 50 0 EFAARM O=C([O-])c1cccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000003295862 471441968 /nfs/dbraw/zinc/44/19/68/471441968.db2.gz YNMDTZTUYCWFAX-INIZCTEOSA-N -1 0 331.393 2.741 50 0 EFAARM CCOc1ccc(Cc2n[n-]c(N(C)c3ccccc3)nc2=O)cc1 ZINC000005154475 471488400 /nfs/dbraw/zinc/48/84/00/471488400.db2.gz AJTIPOJMVRZBLF-UHFFFAOYSA-N -1 0 336.395 2.922 50 0 EFAARM COc1cc(/C=C/c2nc(N)nc(-c3ccccc3[O-])n2)ccc1O ZINC000005244591 471494266 /nfs/dbraw/zinc/49/42/66/471494266.db2.gz KPXIMXIGKBLISY-VQHVLOKHSA-N -1 0 336.351 2.711 50 0 EFAARM O=C([O-])CN(c1ccccc1)S(=O)(=O)c1ccccc1Cl ZINC000005377375 471502328 /nfs/dbraw/zinc/50/23/28/471502328.db2.gz MXXXPVOQSPLEHW-UHFFFAOYSA-N -1 0 325.773 2.620 50 0 EFAARM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cn2)cc1 ZINC000005598756 471512912 /nfs/dbraw/zinc/51/29/12/471512912.db2.gz WWYAZDIAFFHOCY-UHFFFAOYSA-N -1 0 343.202 2.654 50 0 EFAARM Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)c([O-])c2ccccc21 ZINC000005730894 471518105 /nfs/dbraw/zinc/51/81/05/471518105.db2.gz VVTHIALCGVIBLZ-UHFFFAOYSA-N -1 0 342.782 2.828 50 0 EFAARM O=C([O-])[C@H]1[C@@H](O)CC[C@@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@H]12 ZINC000005776998 471519647 /nfs/dbraw/zinc/51/96/47/471519647.db2.gz AADVZSXPNRLYLV-DVEKEBTDSA-N -1 0 340.423 2.559 50 0 in-man EFAARM COc1cc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])cc(Cl)c1O ZINC000005955326 471527346 /nfs/dbraw/zinc/52/73/46/471527346.db2.gz FTYISDPMMHJDQF-BJMVGYQFSA-N -1 0 341.776 2.699 50 0 EFAARM CCn1cc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)cn1 ZINC000006698528 471559798 /nfs/dbraw/zinc/55/97/98/471559798.db2.gz UYAIJKKNHJTGKJ-UHFFFAOYSA-N -1 0 344.234 2.775 50 0 EFAARM COc1cc(S(=O)(=O)[N-]c2ccc(F)cc2)c(OC)cc1C ZINC000006702116 471560682 /nfs/dbraw/zinc/56/06/82/471560682.db2.gz AJYCUDHTUNAMDI-UHFFFAOYSA-N -1 0 325.361 2.952 50 0 EFAARM COC(=O)c1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1 ZINC000006699852 471561234 /nfs/dbraw/zinc/56/12/34/471561234.db2.gz OEEOUGAJCMQEHT-GJZGRUSLSA-N -1 0 331.368 2.859 50 0 EFAARM COc1ccc(CNC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1OC ZINC000006725808 471562859 /nfs/dbraw/zinc/56/28/59/471562859.db2.gz CFFJBPQASGDRHD-CABCVRRESA-N -1 0 347.411 2.767 50 0 EFAARM CC(=O)Nc1cccc(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])c1 ZINC000006741957 471564083 /nfs/dbraw/zinc/56/40/83/471564083.db2.gz YOFPRBAKQVRZJO-TUHYSUIHSA-N -1 0 330.384 2.721 50 0 EFAARM O=C([O-])C[C@]1(C(=O)NC2CCCCC2)CC(c2ccc(F)cc2)=NO1 ZINC000006758134 471566780 /nfs/dbraw/zinc/56/67/80/471566780.db2.gz ZZPJIAWNIZORSX-SFHVURJKSA-N -1 0 348.374 2.613 50 0 EFAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccsc1C(=O)OC ZINC000006913939 471577969 /nfs/dbraw/zinc/57/79/69/471577969.db2.gz YSTLZZJDCUFRIK-UHFFFAOYSA-N -1 0 341.410 2.734 50 0 EFAARM CCc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)ccc1OC ZINC000008715816 471701230 /nfs/dbraw/zinc/70/12/30/471701230.db2.gz LIKYFOJYVZOQLG-UHFFFAOYSA-N -1 0 335.381 2.757 50 0 EFAARM O=C([O-])CCC(=O)Nc1ccc(OCCOc2ccccc2)cc1 ZINC000008722874 471701443 /nfs/dbraw/zinc/70/14/43/471701443.db2.gz CKXHAJHLMSYIJW-UHFFFAOYSA-N -1 0 329.352 2.948 50 0 EFAARM O=c1[nH]c([O-])c(Cc2ccc(Cl)cc2)c(=O)n1-c1ccccc1 ZINC000008738407 471703801 /nfs/dbraw/zinc/70/38/01/471703801.db2.gz RCVGOWJXLPGOMS-AWEZNQCLSA-N -1 0 328.755 2.986 50 0 EFAARM O=C([O-])c1cccnc1N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000013091673 471816892 /nfs/dbraw/zinc/81/68/92/471816892.db2.gz QACABWKWOMFANY-UHFFFAOYSA-N -1 0 331.803 2.755 50 0 EFAARM COc1cc(-c2cc(=O)c3c(O)c(OC)c([O-])cc3o2)ccc1O ZINC000014779854 471878278 /nfs/dbraw/zinc/87/82/78/471878278.db2.gz GLAAQZFBFGEBPS-UHFFFAOYSA-N -1 0 330.292 2.594 50 0 biogenic,in-vitro EFAARM C[C@@]12C[C@@H](c3ccccc3O1)[C@@H](C(=O)[O-])C(=O)N2Cc1ccco1 ZINC000015022839 471886293 /nfs/dbraw/zinc/88/62/93/471886293.db2.gz NGQBUEJDJHEHMY-JOQOYGCGSA-N -1 0 327.336 2.605 50 0 EFAARM COc1ccc(-c2oc3c(OC)c([O-])cc(O)c3c(=O)c2OC)cc1 ZINC000015117976 471890455 /nfs/dbraw/zinc/89/04/55/471890455.db2.gz RXQVMRRNRHSOTC-UHFFFAOYSA-N -1 0 344.319 2.897 50 0 biogenic,in-vitro EFAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000016622073 471944467 /nfs/dbraw/zinc/94/44/67/471944467.db2.gz ALGGJJNMJBRNAW-UHFFFAOYSA-N -1 0 349.408 2.884 50 0 EFAARM CCOC(=O)c1c(NC(=O)C[C@@H](C)CC(=O)[O-])sc2c1CCC2 ZINC000017071106 471955365 /nfs/dbraw/zinc/95/53/65/471955365.db2.gz UYTVNZKDGVRHNK-SECBINFHSA-N -1 0 339.413 2.853 50 0 EFAARM COc1ccc(-c2c(C)[n-]n3c2nc2c(c3=O)CCCC2)cc1OC ZINC000017112247 471956007 /nfs/dbraw/zinc/95/60/07/471956007.db2.gz SSASEPVNGOUXLK-UHFFFAOYSA-N -1 0 339.395 2.894 50 0 EFAARM O=C(Cc1c(=O)[nH]c2ccccc2c1[O-])NCc1ccc(Cl)cc1 ZINC000018143084 471970047 /nfs/dbraw/zinc/97/00/47/471970047.db2.gz PBDJAAPXQKVTPJ-UHFFFAOYSA-N -1 0 342.782 2.746 50 0 EFAARM CCOC(=O)Cc1cc(=O)n2[n-]cc(-c3ccc(Cl)cc3)c2n1 ZINC000018217821 471973198 /nfs/dbraw/zinc/97/31/98/471973198.db2.gz WZYCFWGMQZPYAW-UHFFFAOYSA-N -1 0 331.759 2.861 50 0 EFAARM COc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)ccc1Cl ZINC000034864971 471992187 /nfs/dbraw/zinc/99/21/87/471992187.db2.gz ZSWYASPYWXNQKU-UHFFFAOYSA-N -1 0 341.772 2.848 50 0 EFAARM COc1ccc(OC)c([N-]S(=O)(=O)Cc2ccc(F)cc2)c1 ZINC000024613879 472060863 /nfs/dbraw/zinc/06/08/63/472060863.db2.gz XDMOZVRAXMIGNP-UHFFFAOYSA-N -1 0 325.361 2.785 50 0 EFAARM CC(=O)c1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)cc1 ZINC000042783165 472170547 /nfs/dbraw/zinc/17/05/47/472170547.db2.gz IXGMRGJHTJKEFB-GJZGRUSLSA-N -1 0 349.383 2.731 50 0 EFAARM COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000028580191 472229653 /nfs/dbraw/zinc/22/96/53/472229653.db2.gz RFVBMQFMNDMISD-UHFFFAOYSA-N -1 0 348.424 2.718 50 0 EFAARM CN(C)C(=O)CCc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000030766051 472348115 /nfs/dbraw/zinc/34/81/15/472348115.db2.gz LIXNGRUYIYBIDF-HZPDHXFCSA-N -1 0 346.427 2.537 50 0 EFAARM CCC(=O)NCc1ccc(C(=O)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000031948270 472402659 /nfs/dbraw/zinc/40/26/59/472402659.db2.gz CELHLDVGSCZRTI-UHFFFAOYSA-N -1 0 326.352 2.663 50 0 EFAARM COc1cc2c(cc1OC)[C@H](C(=O)[O-])N(C(=O)OC(C)(C)C)CC2 ZINC000032098994 472415640 /nfs/dbraw/zinc/41/56/40/472415640.db2.gz MZMFBUXQGFWLHV-CQSZACIVSA-N -1 0 337.372 2.623 50 0 EFAARM CC(C)Sc1nc2cc(C(=O)[O-])ccc2c(N2CCOCC2)n1 ZINC000032918911 472481609 /nfs/dbraw/zinc/48/16/09/472481609.db2.gz WAORICMMFKZLRA-UHFFFAOYSA-N -1 0 333.413 2.665 50 0 EFAARM Cc1cc2cccc(-c3nc([C@@H]4CCOC4)nn3CC(=O)[O-])c2o1 ZINC000097217706 472482754 /nfs/dbraw/zinc/48/27/54/472482754.db2.gz ZVTAHYFBGSJLGS-GFCCVEGCSA-N -1 0 327.340 2.588 50 0 EFAARM CC[C@@H](C)n1c(=O)c([C@H]2OC(=O)c3ccccc32)c([O-])[nH]c1=S ZINC000101090218 472530476 /nfs/dbraw/zinc/53/04/76/472530476.db2.gz JWWIPEZIEFRTON-PELKAZGASA-N -1 0 332.381 2.842 50 0 EFAARM COC(=O)c1ccc(OC(C)C)c(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)c1 ZINC000071284685 472547378 /nfs/dbraw/zinc/54/73/78/472547378.db2.gz ZYZCGIJLLZMARC-ZIAGYGMSSA-N -1 0 349.383 2.556 50 0 EFAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000071286182 472547483 /nfs/dbraw/zinc/54/74/83/472547483.db2.gz RWQPZYYBKAMRQZ-CABCVRRESA-N -1 0 344.411 2.654 50 0 EFAARM CC(C)c1nc(-c2cccc(NC(=O)[C@H]3[C@H](C(=O)[O-])C3(C)C)c2)n[nH]1 ZINC000071285847 472547536 /nfs/dbraw/zinc/54/75/36/472547536.db2.gz BUDVRLSVCLBEDR-CHWSQXEVSA-N -1 0 342.399 2.890 50 0 EFAARM CC(C)c1nc(-c2cccc(NC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)c2)n[nH]1 ZINC000071285846 472548042 /nfs/dbraw/zinc/54/80/42/472548042.db2.gz 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331.299 2.712 50 0 EFAARM Nc1nc2ccc(C(=O)[O-])cc2c(NCc2ccc(Cl)nc2)n1 ZINC000065408512 472937255 /nfs/dbraw/zinc/93/72/55/472937255.db2.gz SEECKTUDSSHNIT-UHFFFAOYSA-N -1 0 329.747 2.571 50 0 EFAARM COc1ccc(C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)[O-])cc1 ZINC000221039805 474160107 /nfs/dbraw/zinc/16/01/07/474160107.db2.gz AYYGDDNJPIPCPO-UKRRQHHQSA-N -1 0 335.400 2.948 50 0 EFAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1ccc(F)c(F)c1F ZINC000223395142 474183394 /nfs/dbraw/zinc/18/33/94/474183394.db2.gz WSFRQVMIRIXWAR-NSHDSACASA-N -1 0 329.318 2.892 50 0 EFAARM CCOc1ccc(OCC)c(S(=O)(=O)[N-]c2ccccc2O)c1 ZINC000230515245 474261019 /nfs/dbraw/zinc/26/10/19/474261019.db2.gz CJWBRVNDHVRSEH-UHFFFAOYSA-N -1 0 337.397 2.990 50 0 EFAARM CCCc1ccc(C[NH+]2CCC(c3cc(CC(=O)[O-])[nH]n3)CC2)o1 ZINC000252483892 474669127 /nfs/dbraw/zinc/66/91/27/474669127.db2.gz FKSZAMOZRDNYDE-UHFFFAOYSA-N -1 0 331.416 2.962 50 0 EFAARM COCC(=O)Nc1cc(C(=O)[O-])cc2nc(-c3ccccc3)n(C)c21 ZINC000299774580 476153472 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219083317 /nfs/dbraw/zinc/08/33/17/219083317.db2.gz VEIHPGHMYHDOBU-LBPRGKRZSA-N -1 0 345.424 2.937 50 0 EFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c1 ZINC000004538329 210217036 /nfs/dbraw/zinc/21/70/36/210217036.db2.gz CCKOQFKYLJYLPB-UHFFFAOYSA-N -1 0 343.788 2.864 50 0 EFAARM CSc1nsc(SCC(=O)Nc2ccccc2C(=O)[O-])n1 ZINC000004502732 210206523 /nfs/dbraw/zinc/20/65/23/210206523.db2.gz HGAHTPZUQJAYNC-UHFFFAOYSA-N -1 0 341.439 2.689 50 0 EFAARM COC(=O)C1=C([O-])c2c(C)c(C(=O)OC3CCCCC3)[nH]c2C[C@H]1C ZINC000004488718 210201934 /nfs/dbraw/zinc/20/19/34/210201934.db2.gz SOUPFDNQACDAQX-YGRLFVJLSA-N -1 0 347.411 2.977 50 0 EFAARM Cn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)c([O-])c2ccccc21 ZINC000100512490 219101393 /nfs/dbraw/zinc/10/13/93/219101393.db2.gz QLXIULHKBCVBNP-UHFFFAOYSA-N -1 0 342.782 2.828 50 0 EFAARM O=C(NC1CCCCCC1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621197 219102473 /nfs/dbraw/zinc/10/24/73/219102473.db2.gz QEQRUAAHKZNFBW-UHFFFAOYSA-N -1 0 326.396 2.716 50 0 EFAARM Cc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1 ZINC000101167204 219117810 /nfs/dbraw/zinc/11/78/10/219117810.db2.gz QZXPZXURUSPHTR-JKSUJKDBSA-N -1 0 338.342 2.628 50 0 EFAARM O=c1c2[n-][nH]n(Cc3ccccc3)c=2c(=O)n1-c1ccccc1Cl ZINC000101168638 219118243 /nfs/dbraw/zinc/11/82/43/219118243.db2.gz RNZUMHZAKWZDKT-LSDHHAIUSA-N -1 0 340.770 2.833 50 0 EFAARM Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1Cc1cccc(Cl)c1 ZINC000101449731 219127241 /nfs/dbraw/zinc/12/72/41/219127241.db2.gz OYPFKYKYOPJWCH-CYBMUJFWSA-N -1 0 340.832 2.501 50 0 EFAARM COc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2nc(-c3ccccc3)nn21 ZINC000101447009 219127384 /nfs/dbraw/zinc/12/73/84/219127384.db2.gz KGZNIPFIIBCYDX-HNNXBMFYSA-N -1 0 348.362 2.937 50 0 EFAARM COc1ccc(-c2cnn(-c3ccc(C(=O)[O-])cc3)c2N)cc1OC ZINC000004290729 210162560 /nfs/dbraw/zinc/16/25/60/210162560.db2.gz QGBQUZAZSBXAQH-UHFFFAOYSA-N -1 0 339.351 2.837 50 0 EFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NCCSC(C)(C)C)cc1 ZINC000004109897 210122390 /nfs/dbraw/zinc/12/23/90/210122390.db2.gz SYGFLFFZMYNVDU-UHFFFAOYSA-N -1 0 330.475 2.515 50 0 EFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)O[C@H]2CCOc3ccccc32)cc1 ZINC000004110266 210121840 /nfs/dbraw/zinc/12/18/40/210121840.db2.gz RYQDCXBFQJDPFZ-INIZCTEOSA-N -1 0 347.392 2.934 50 0 EFAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CCc1c[nH]c2ccccc12 ZINC000004086866 210116923 /nfs/dbraw/zinc/11/69/23/210116923.db2.gz JSEXYPLCXFDIHM-GOSISDBHSA-N -1 0 336.391 2.913 50 0 biogenic EFAARM C[C@H](NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1)C(=O)[O-] ZINC000004085587 210117001 /nfs/dbraw/zinc/11/70/01/210117001.db2.gz KUSAKFMNZBMDEJ-NSHDSACASA-N -1 0 337.331 2.663 50 0 biogenic EFAARM O=C([O-])CN(c1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1 ZINC000004002301 210098703 /nfs/dbraw/zinc/09/87/03/210098703.db2.gz WJVHICIGQUGUIE-UHFFFAOYSA-N -1 0 343.763 2.759 50 0 EFAARM O=C([O-])c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000003886256 210084515 /nfs/dbraw/zinc/08/45/15/210084515.db2.gz QLYHQBCUFQCULL-UHFFFAOYSA-N -1 0 329.736 2.978 50 0 EFAARM COc1c([O-])c2c(O)c(OC)c(-c3ccc(O)cc3)oc-2cc1=O ZINC000003870887 210081767 /nfs/dbraw/zinc/08/17/67/210081767.db2.gz DDNPCXHBFYJXBJ-UHFFFAOYSA-N -1 0 330.292 2.594 50 0 biogenic,in-vitro EFAARM Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)[n-]c1=O ZINC000003298903 210000205 /nfs/dbraw/zinc/00/02/05/210000205.db2.gz TWHUQURNCZJWKN-UHFFFAOYSA-N -1 0 345.211 2.923 50 0 EFAARM COc1ccc(-n2nnc(C(=O)[O-])c2-c2ccccn2)cc1Cl ZINC000067323663 215134036 /nfs/dbraw/zinc/13/40/36/215134036.db2.gz ZQROVIPSINNAAJ-UHFFFAOYSA-N -1 0 330.731 2.690 50 0 EFAARM O=C(Nc1ccc(O)cc1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100662854 304003846 /nfs/dbraw/zinc/00/38/46/304003846.db2.gz DUSQLGQDIMILKW-UHFFFAOYSA-N -1 0 336.347 2.611 50 0 biogenic EFAARM O=C(NCc1cccnc1Oc1ccc(F)cc1F)c1cc(=O)[nH][n-]1 ZINC000067459848 215149776 /nfs/dbraw/zinc/14/97/76/215149776.db2.gz NLJSJMBSGBWVTD-UHFFFAOYSA-N -1 0 346.293 2.511 50 0 EFAARM CN(c1ccc(C(=O)[O-])c(Cl)c1)S(=O)(=O)c1ccccc1 ZINC000067601960 215165822 /nfs/dbraw/zinc/16/58/22/215165822.db2.gz OQROPDJFSCZSKV-UHFFFAOYSA-N -1 0 325.773 2.863 50 0 EFAARM O=C([O-])[C@H](Cc1ccco1)n1ccnc1-c1ccc2c(c1)OCCO2 ZINC000067642039 215172417 /nfs/dbraw/zinc/17/24/17/215172417.db2.gz BXRMHPFORDOPPH-AWEZNQCLSA-N -1 0 340.335 2.783 50 0 EFAARM O=C([O-])Cc1cc(C2CCN(C(=O)CCC3CCCC3)CC2)[nH]n1 ZINC000067742578 215200452 /nfs/dbraw/zinc/20/04/52/215200452.db2.gz ABEAMVJYRYCDMI-UHFFFAOYSA-N -1 0 333.432 2.713 50 0 EFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1F ZINC000002807999 209920058 /nfs/dbraw/zinc/92/00/58/209920058.db2.gz YKYWFBAFAZIUIZ-INIZCTEOSA-N -1 0 344.317 2.872 50 0 EFAARM O=C([O-])C1(Oc2ccccc2F)CCN(C(=O)[C@@H]2CC23CCC3)CC1 ZINC000072479339 304034768 /nfs/dbraw/zinc/03/47/68/304034768.db2.gz CLNJMTZTROWBFE-ZDUSSCGKSA-N -1 0 347.386 2.841 50 0 EFAARM Cc1ccc(-c2csc(NC(=O)c3c(C(=O)[O-])cnn3C)n2)s1 ZINC000036615492 213102354 /nfs/dbraw/zinc/10/23/54/213102354.db2.gz WGHOXTJBZBZOQR-UHFFFAOYSA-N -1 0 348.409 2.864 50 0 EFAARM COc1cccc(C(=O)CSc2nc3[nH]c(=O)cc([O-])c3s2)c1 ZINC000036360111 213089839 /nfs/dbraw/zinc/08/98/39/213089839.db2.gz DKDRXCKEFAMJKJ-UHFFFAOYSA-N -1 0 348.405 2.674 50 0 EFAARM CC(=O)c1cn(CC(=O)NCCCCCC(=O)[O-])c2ccccc12 ZINC000036357931 213088444 /nfs/dbraw/zinc/08/84/44/213088444.db2.gz HLFGXZLLVRATOM-UHFFFAOYSA-N -1 0 330.384 2.605 50 0 EFAARM CC(C)NC(=O)c1cccc(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000070666439 215702879 /nfs/dbraw/zinc/70/28/79/215702879.db2.gz YRBZBABSYPIKND-UHFFFAOYSA-N -1 0 340.379 2.704 50 0 biogenic EFAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000036040066 213058086 /nfs/dbraw/zinc/05/80/86/213058086.db2.gz WCYHPTFFBQCNAV-WDEREUQCSA-N -1 0 349.305 2.717 50 0 EFAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000071280527 215750976 /nfs/dbraw/zinc/75/09/76/215750976.db2.gz ZFEZCKCEVAPWSE-KGLIPLIRSA-N -1 0 342.351 2.827 50 0 EFAARM CC(C)c1nc(-c2cccc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])C3(C)C)c2)n[nH]1 ZINC000071285848 215753667 /nfs/dbraw/zinc/75/36/67/215753667.db2.gz BUDVRLSVCLBEDR-STQMWFEESA-N -1 0 342.399 2.890 50 0 EFAARM COc1cc(Cl)c(C)cc1-n1nnc(C(=O)[O-])c1-c1ccncc1 ZINC000071327490 215761042 /nfs/dbraw/zinc/76/10/42/215761042.db2.gz QLEHDJOUUAUAAS-UHFFFAOYSA-N -1 0 344.758 2.998 50 0 EFAARM COc1cc(Br)ccc1NC(=O)[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC000071405207 215769406 /nfs/dbraw/zinc/76/94/06/215769406.db2.gz SRJJTEVUCXXKDV-RKDXNWHRSA-N -1 0 342.189 2.897 50 0 EFAARM COc1ccc2c(ccn2CC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000032094585 212787406 /nfs/dbraw/zinc/78/74/06/212787406.db2.gz WHZVJNIPWVQFIV-UHFFFAOYSA-N -1 0 338.363 2.665 50 0 EFAARM O=C([O-])c1cccc(C[C@H]2CCN(C(=O)c3ncoc3C3CC3)C2)c1 ZINC000072133045 216021572 /nfs/dbraw/zinc/02/15/72/216021572.db2.gz TZZHUUQHFLNHIU-CYBMUJFWSA-N -1 0 340.379 2.955 50 0 EFAARM O=C([O-])c1cc(-c2ccc[nH]2)cc(S(=O)(=O)N2CCCCCC2)c1 ZINC000072153614 216042333 /nfs/dbraw/zinc/04/23/33/216042333.db2.gz ZOUUBAFJPCZEBN-UHFFFAOYSA-N -1 0 348.424 2.945 50 0 EFAARM O=C([O-])c1cccc(C[C@H]2CCN(C(=O)CCc3cccnc3)C2)c1 ZINC000072168709 216059100 /nfs/dbraw/zinc/05/91/00/216059100.db2.gz RWPSWOJCICLBOF-QGZVFWFLSA-N -1 0 338.407 2.804 50 0 EFAARM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1Cl ZINC000000360259 209551240 /nfs/dbraw/zinc/55/12/40/209551240.db2.gz AAAMRSKNWUGKDJ-UHFFFAOYSA-N -1 0 329.736 2.978 50 0 EFAARM CCc1c(C)scc1C(=O)N1CCC(C(=O)[O-])(n2cccn2)CC1 ZINC000072409938 216201478 /nfs/dbraw/zinc/20/14/78/216201478.db2.gz PISUEDIZDLFURW-UHFFFAOYSA-N -1 0 347.440 2.532 50 0 EFAARM Cc1cc(CN2CCCn3nc(CCC(=O)[O-])cc3C2)ccc1F ZINC000072426747 216217114 /nfs/dbraw/zinc/21/71/14/216217114.db2.gz QTQRHGDKZWFSNA-UHFFFAOYSA-N -1 0 331.391 2.754 50 0 EFAARM O=C([O-])C1(Oc2ccccc2F)CCN(C(=O)CCC2CC2)CC1 ZINC000072424990 216215418 /nfs/dbraw/zinc/21/54/18/216215418.db2.gz RMDAMYTVIRTFHI-UHFFFAOYSA-N -1 0 335.375 2.841 50 0 EFAARM CCOc1ccc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000000054459 209391520 /nfs/dbraw/zinc/39/15/20/209391520.db2.gz HTLSKQJASJZHSX-UHFFFAOYSA-N -1 0 335.381 2.513 50 0 EFAARM O=C([O-])C1(Oc2ccccc2)CCN(C(=O)c2cccc(F)c2)CC1 ZINC000072429706 216222168 /nfs/dbraw/zinc/22/21/68/216222168.db2.gz WAUUHGLIMPSTRA-UHFFFAOYSA-N -1 0 343.354 2.964 50 0 EFAARM Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)c3ccsc3)CC2)cn1 ZINC000072427038 216218010 /nfs/dbraw/zinc/21/80/10/216218010.db2.gz DYUWSNFJQJIYCZ-UHFFFAOYSA-N -1 0 346.408 2.590 50 0 EFAARM COc1ccc(C(=O)N2CC[C@@H](Cc3ccc(C(=O)[O-])cc3)C2)o1 ZINC000072436667 216232091 /nfs/dbraw/zinc/23/20/91/216232091.db2.gz PQNMBIHGONKHID-ZDUSSCGKSA-N -1 0 329.352 2.691 50 0 EFAARM CCc1ocnc1C(=O)N1CC[C@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072473498 216250655 /nfs/dbraw/zinc/25/06/55/216250655.db2.gz ZNXTWMDLBGOSNO-CYBMUJFWSA-N -1 0 328.368 2.640 50 0 EFAARM CC(C)OC(=O)N1CCC(C(=O)[O-])(n2ccc(C(C)(C)C)n2)CC1 ZINC000072473863 216251212 /nfs/dbraw/zinc/25/12/12/216251212.db2.gz IMUZBTNHUSVKFL-UHFFFAOYSA-N -1 0 337.420 2.601 50 0 EFAARM Cc1ccc(N2CCC(Oc3ccc(F)cc3C)(C(=O)[O-])CC2)nn1 ZINC000072478750 216257303 /nfs/dbraw/zinc/25/73/03/216257303.db2.gz ODTCPTCVDNBUAL-UHFFFAOYSA-N -1 0 345.374 2.735 50 0 EFAARM CCC1(CC)CN(c2nccc(-c3cc(C(=O)[O-])ccn3)n2)CCO1 ZINC000072481572 216262061 /nfs/dbraw/zinc/26/20/61/216262061.db2.gz PJHGAGQIWWKGKO-UHFFFAOYSA-N -1 0 342.399 2.632 50 0 EFAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cccc(NC(=O)C2CCCC2)c1 ZINC000055089434 304113575 /nfs/dbraw/zinc/11/35/75/304113575.db2.gz ZLZZLLJECAJHJE-HNNXBMFYSA-N -1 0 330.384 2.505 50 0 EFAARM Cc1nc2sc([C@@H](c3cccc(C)c3)N3CCOCC3)c([O-])n2n1 ZINC000022626637 212313694 /nfs/dbraw/zinc/31/36/94/212313694.db2.gz FWRFTFCKZWAFAU-CQSZACIVSA-N -1 0 344.440 2.535 50 0 EFAARM CCC(=O)Oc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1OC ZINC000021127477 212209471 /nfs/dbraw/zinc/20/94/71/212209471.db2.gz WZNOJEDBCNPVHD-UHFFFAOYSA-N -1 0 343.335 2.961 50 0 EFAARM Cc1cc2ccccc2n1CC(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000245245580 243100711 /nfs/dbraw/zinc/10/07/11/243100711.db2.gz DPYKNIHAPRTQGC-SHTZXODSSA-N -1 0 328.412 2.957 50 0 EFAARM O=C([O-])c1ccn(CC(=O)N(Cc2ccccc2)Cc2ccccc2)n1 ZINC000020602734 212152272 /nfs/dbraw/zinc/15/22/72/212152272.db2.gz UUVUZQSOAQPUHY-UHFFFAOYSA-N -1 0 349.390 2.810 50 0 EFAARM CCCc1cc(C(=O)N2CCc3ccccc3[C@@H]2CC(=O)[O-])[nH]n1 ZINC000095371901 284104990 /nfs/dbraw/zinc/10/49/90/284104990.db2.gz DTUPVDXNTVJUFT-INIZCTEOSA-N -1 0 327.384 2.577 50 0 EFAARM COc1ccc(Cl)cc1NC(=O)c1c([O-])c2cccnc2[nH]c1=O ZINC000049411685 214007151 /nfs/dbraw/zinc/00/71/51/214007151.db2.gz QKCVDVLQTVOACV-UHFFFAOYSA-N -1 0 345.742 2.543 50 0 EFAARM CC(C)c1cc(C(N)=O)c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC000017071008 211951090 /nfs/dbraw/zinc/95/10/90/211951090.db2.gz RBGJUEMAKRIFQD-VHSXEESVSA-N -1 0 338.429 2.800 50 0 EFAARM COc1cccc(N(Cc2n[nH]c(=O)[n-]2)C(=O)CCC2CCCC2)c1 ZINC000079476802 217230190 /nfs/dbraw/zinc/23/01/90/217230190.db2.gz QHKREPPZPAYRNZ-UHFFFAOYSA-N -1 0 344.415 2.610 50 0 EFAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1N1CCCC1 ZINC000426509830 304171572 /nfs/dbraw/zinc/17/15/72/304171572.db2.gz CQQBUHSRDFEMHD-KRWDZBQOSA-N -1 0 338.407 2.713 50 0 EFAARM Cc1cc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])N(C)C2)sc1-c1ccccc1 ZINC000426377914 247270166 /nfs/dbraw/zinc/27/01/66/247270166.db2.gz GGSVAGWGZVWUSN-KBPBESRZSA-N -1 0 344.436 2.611 50 0 EFAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)C2CCCCC2)cc1OC ZINC000013182079 211534436 /nfs/dbraw/zinc/53/44/36/211534436.db2.gz XDDHPGZIGJSFEG-CQSZACIVSA-N -1 0 335.400 2.916 50 0 EFAARM CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000012403824 284563873 /nfs/dbraw/zinc/56/38/73/284563873.db2.gz UDFDHFMNSUOURS-JKSUJKDBSA-N -1 0 346.427 2.998 50 0 EFAARM COc1cc(S(=O)(=O)[N-]c2ccccn2)c(OC)cc1Cl ZINC000012042878 211282680 /nfs/dbraw/zinc/28/26/80/211282680.db2.gz IPJYAKXMLIMWHV-UHFFFAOYSA-N -1 0 328.777 2.553 50 0 EFAARM Cc1ccccc1[C@@H]1C[N@H+](Cc2cccc(C(=O)[O-])c2)C[C@H]1C(=O)[O-] ZINC000091503679 218014613 /nfs/dbraw/zinc/01/46/13/218014613.db2.gz UQHVAAAAOFOEGM-ZWKOTPCHSA-N -1 0 339.391 2.993 50 0 EFAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2cc(C)ccc2C)C1 ZINC000091605064 218031747 /nfs/dbraw/zinc/03/17/47/218031747.db2.gz AOUBHKAHUSWWTQ-FQEVSTJZSA-N -1 0 347.455 2.966 50 0 EFAARM CN(C)c1ccc(CC(=O)N2CCC[C@@](CC3CC3)(C(=O)[O-])C2)cc1 ZINC000091726023 218055007 /nfs/dbraw/zinc/05/50/07/218055007.db2.gz CXLZFXZZRUTMKH-FQEVSTJZSA-N -1 0 344.455 2.789 50 0 EFAARM COc1cccc(C(=O)N2C[C@@H](c3ccccc3C)[C@H](C(=O)[O-])C2)c1 ZINC000091756586 218060327 /nfs/dbraw/zinc/06/03/27/218060327.db2.gz SIDPYTMNJAYFPM-ZWKOTPCHSA-N -1 0 339.391 2.944 50 0 EFAARM O=S(=O)([N-]c1nc2ccccc2s1)c1ccc2c(c1)OCCO2 ZINC000011615535 211226824 /nfs/dbraw/zinc/22/68/24/211226824.db2.gz ZMGIHFWEOWUKGE-UHFFFAOYSA-N -1 0 348.405 2.868 50 0 EFAARM Cc1ccccc1[C@@H]1CN(Cc2noc(CC(C)C)n2)C[C@H]1C(=O)[O-] ZINC000091793652 218067378 /nfs/dbraw/zinc/06/73/78/218067378.db2.gz YMPLUZCGZYCWPF-JKSUJKDBSA-N -1 0 343.427 2.877 50 0 EFAARM CCCN1C(=O)[C@H]2CC[C@@H]1CN(C(=O)c1ccc([O-])c(Cl)c1)C2 ZINC000091951760 218093132 /nfs/dbraw/zinc/09/31/32/218093132.db2.gz RSDIHILGNPDXIG-QWHCGFSZSA-N -1 0 336.819 2.519 50 0 EFAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cc(F)ccc1OC ZINC000010302015 211161425 /nfs/dbraw/zinc/16/14/25/211161425.db2.gz KUQOCXARGZCEBH-UHFFFAOYSA-N -1 0 325.361 2.952 50 0 EFAARM CCOCCOc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000010325460 211164363 /nfs/dbraw/zinc/16/43/63/211164363.db2.gz XTWSALUWGUBDCD-HZPDHXFCSA-N -1 0 335.400 2.931 50 0 EFAARM C[C@H]1Cc2ccccc2N1C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000010112451 211149164 /nfs/dbraw/zinc/14/91/64/211149164.db2.gz ZXKPVZRJNOUTCI-LBPRGKRZSA-N -1 0 330.409 2.650 50 0 EFAARM Cc1ccc(CCCNC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000010110505 211148838 /nfs/dbraw/zinc/14/88/38/211148838.db2.gz MNEQXSRVESCGIY-UHFFFAOYSA-N -1 0 346.452 2.729 50 0 EFAARM CCN1C(=O)Cc2cc([N-]S(=O)(=O)c3ccc(C)s3)ccc21 ZINC000010063718 211145495 /nfs/dbraw/zinc/14/54/95/211145495.db2.gz PCGJTYZOEYBFQZ-UHFFFAOYSA-N -1 0 336.438 2.766 50 0 EFAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)c1 ZINC000009572801 211103234 /nfs/dbraw/zinc/10/32/34/211103234.db2.gz LMFYWXNSXQHAHC-UHFFFAOYSA-N -1 0 346.408 2.553 50 0 EFAARM COc1ccc(Cl)cc1C=C(Sc1nc(C)n[nH]1)C(=O)[O-] ZINC000009360308 211074575 /nfs/dbraw/zinc/07/45/75/211074575.db2.gz IEWQHMZNEMGCNL-WDZFZDKYSA-N -1 0 325.777 2.993 50 0 EFAARM CCCCC1C(=O)N=C(SCC(=O)Nc2ccc(C)cc2)N=C1[O-] ZINC000009335027 211069649 /nfs/dbraw/zinc/06/96/49/211069649.db2.gz VZQAWZINVXEEGE-UHFFFAOYSA-N -1 0 347.440 2.857 50 0 EFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000009320495 211067993 /nfs/dbraw/zinc/06/79/93/211067993.db2.gz LEYGWGJIDXRAGT-UHFFFAOYSA-N -1 0 329.374 2.783 50 0 EFAARM COc1ccc(-n2cc(C(=O)[O-])c3ccccc3c2=O)c(OC)c1 ZINC000095095470 218281101 /nfs/dbraw/zinc/28/11/01/218281101.db2.gz UYOBAAKJRUBYLN-UHFFFAOYSA-N -1 0 325.320 2.706 50 0 EFAARM O=C1N(Cc2ccccc2)C(c2ccccc2)=N[C@@]1([O-])C(F)(F)F ZINC000009184410 211048004 /nfs/dbraw/zinc/04/80/04/211048004.db2.gz GSEVUJLHGJQWJT-INIZCTEOSA-N -1 0 334.297 2.727 50 0 EFAARM CSc1ccc([C@@H](C(=O)[O-])N(C)Cc2noc(C3CC3)n2)cc1 ZINC000095360594 218293151 /nfs/dbraw/zinc/29/31/51/218293151.db2.gz GAQNWZPOSKURNN-AWEZNQCLSA-N -1 0 333.413 2.927 50 0 EFAARM Cn1ncc(Cl)c1C(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095356381 218289632 /nfs/dbraw/zinc/28/96/32/218289632.db2.gz XUGMNIAKCNMJJP-ZDUSSCGKSA-N -1 0 347.802 2.792 50 0 EFAARM CN(Cc1ccon1)[C@H](C(=O)[O-])c1cccc(OC(F)(F)F)c1 ZINC000095357183 218290926 /nfs/dbraw/zinc/29/09/26/218290926.db2.gz XZERRZLKPQBENV-LBPRGKRZSA-N -1 0 330.262 2.831 50 0 EFAARM CCc1nccn1CC(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095366654 218299609 /nfs/dbraw/zinc/29/96/09/218299609.db2.gz KYTDUZJLZBRMRI-INIZCTEOSA-N -1 0 341.411 2.550 50 0 EFAARM CCc1ccc(CN(C)[C@@H](C(=O)[O-])c2c(OC)cccc2OC)nc1 ZINC000095368550 218301836 /nfs/dbraw/zinc/30/18/36/218301836.db2.gz QTSRYUIUTAFODN-GOSISDBHSA-N -1 0 344.411 2.919 50 0 EFAARM CC(C)Cc1cc(Cn2cc(-c3ccccc3C(=O)[O-])nn2)on1 ZINC000095369681 218303356 /nfs/dbraw/zinc/30/33/56/218303356.db2.gz QDNDWBFBANPYPC-UHFFFAOYSA-N -1 0 326.356 2.878 50 0 EFAARM COc1ccc([C@H](C(=O)[O-])N(C)Cc2c(C)nn(C)c2C)c(C)c1 ZINC000095373882 218306745 /nfs/dbraw/zinc/30/67/45/218306745.db2.gz NNEPQVFVHRBZNP-QGZVFWFLSA-N -1 0 331.416 2.612 50 0 EFAARM CCC(=O)Nc1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000008908554 211016892 /nfs/dbraw/zinc/01/68/92/211016892.db2.gz ODSRHXPIHWMGJN-UHFFFAOYSA-N -1 0 326.352 2.915 50 0 EFAARM Cc1cccnc1CN(C)[C@@H](C(=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000095389358 218321321 /nfs/dbraw/zinc/32/13/21/218321321.db2.gz VBDRRECMJSDVNN-GOSISDBHSA-N -1 0 336.395 2.833 50 0 EFAARM Cn1cc(Cl)c(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)n1 ZINC000095383600 218316001 /nfs/dbraw/zinc/31/60/01/218316001.db2.gz MBNHUDOWDCUHJG-ZDUSSCGKSA-N -1 0 347.802 2.792 50 0 EFAARM CC(C)(C)OC(=O)N[C@H](c1ccccc1C(F)(F)F)[C@@H](O)C(=O)[O-] ZINC000008700602 210981527 /nfs/dbraw/zinc/98/15/27/210981527.db2.gz JKBPUHMWQXQKJK-GHMZBOCLSA-N -1 0 349.305 2.717 50 0 EFAARM COc1ccc(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)[O-])cc1OC ZINC000006742250 210697069 /nfs/dbraw/zinc/69/70/69/210697069.db2.gz IGPCJVJBACPIDN-JWAGFEDZSA-N -1 0 333.384 2.779 50 0 EFAARM O=C([O-])c1cc2c(cc1Cl)N1CCCCCC1=NS2(=O)=O ZINC000002650158 304228411 /nfs/dbraw/zinc/22/84/11/304228411.db2.gz JKAFRKLYSXEOPO-UHFFFAOYSA-N -1 0 328.777 2.519 50 0 EFAARM O=C([O-])c1ccc(I)c(Br)c1 ZINC000032627439 304245340 /nfs/dbraw/zinc/24/53/40/304245340.db2.gz XTSUGBHLVDLGFX-UHFFFAOYSA-N -1 0 326.915 2.752 50 0 EFAARM O=C([O-])c1ccc(NC(=O)[C@H]2CC(=O)O[C@H]2c2ccccc2)cc1 ZINC000000376881 304247818 /nfs/dbraw/zinc/24/78/18/304247818.db2.gz MTCQAHCLMSBPEB-HOCLYGCPSA-N -1 0 325.320 2.628 50 0 EFAARM Cc1c(C(=O)Nc2ccc(C(=O)[O-])cc2)nnn1-c1cccc(C)c1 ZINC000005033382 210370611 /nfs/dbraw/zinc/37/06/11/210370611.db2.gz YRYPHHPJUDRMRT-UHFFFAOYSA-N -1 0 336.351 2.835 50 0 EFAARM O=C([O-])c1cc(NC(=O)c2ccc(Br)o2)ccc1O ZINC000004945039 210335884 /nfs/dbraw/zinc/33/58/84/210335884.db2.gz JZVJPIPOOAZDSW-UHFFFAOYSA-N -1 0 326.102 2.698 50 0 EFAARM COC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000004904468 210317298 /nfs/dbraw/zinc/31/72/98/210317298.db2.gz FNDVHCVMFHSSRH-GHMZBOCLSA-N -1 0 337.397 2.757 50 0 EFAARM CC(=O)Oc1ccc(NC(=O)COc2ccccc2C)c(C(=O)[O-])c1 ZINC000004824134 210289573 /nfs/dbraw/zinc/28/95/73/210289573.db2.gz WIXUIPAZZXMIPM-UHFFFAOYSA-N -1 0 343.335 2.636 50 0 EFAARM O=C([O-])COc1ccc(C=Cc2nnc(-c3ccccc3O)[nH]2)cc1 ZINC000004807071 210282154 /nfs/dbraw/zinc/28/21/54/210282154.db2.gz XZBXTSDSAHVICM-JXMROGBWSA-N -1 0 337.335 2.811 50 0 EFAARM O=C([O-])c1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2)C1=O ZINC000000118735 258047232 /nfs/dbraw/zinc/04/72/32/258047232.db2.gz UAYUPAHYAGHDIT-UHFFFAOYSA-N -1 0 342.738 2.821 50 0 EFAARM Cc1ccccc1[C@]1(CC(=O)[O-])CC(=O)N(Cc2ccccc2)C1=O ZINC000299773652 258085341 /nfs/dbraw/zinc/08/53/41/258085341.db2.gz DRVRZBPUNAKHBJ-HXUWFJFHSA-N -1 0 337.375 2.667 50 0 EFAARM Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000299777323 258087259 /nfs/dbraw/zinc/08/72/59/258087259.db2.gz NCVUVRBDGMPYDS-MRXNPFEDSA-N -1 0 341.411 2.673 50 0 EFAARM O=C([O-])[C@H](C(=O)NCc1c[nH]nc1-c1ccccc1)C1CCCCC1 ZINC000299780955 258089366 /nfs/dbraw/zinc/08/93/66/258089366.db2.gz BYGJHGAWRNXQRA-INIZCTEOSA-N -1 0 341.411 2.974 50 0 EFAARM O=C([O-])C[C@@]1(c2ccc(-c3ccccc3)cc2)CC(=O)N(C2CC2)C1=O ZINC000299793330 258098396 /nfs/dbraw/zinc/09/83/96/258098396.db2.gz IOKBOKIZJQIJIG-OAQYLSRUSA-N -1 0 349.386 2.987 50 0 EFAARM COCc1c(C(=O)[O-])cnn1-c1nccc(-c2cc(C)sc2C)n1 ZINC000299797273 258101201 /nfs/dbraw/zinc/10/12/01/258101201.db2.gz MYFBSBYNDPJOIE-UHFFFAOYSA-N -1 0 344.396 2.852 50 0 EFAARM CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)N2c1cccc(C(=O)[O-])n1 ZINC000299803751 258105851 /nfs/dbraw/zinc/10/58/51/258105851.db2.gz AQEPDVVCPJTANM-CLLJXQQHSA-N -1 0 347.415 2.804 50 0 EFAARM COc1cccc(C[N@@H+]2CCC[C@H](Nc3ncccc3C(=O)[O-])C2)c1 ZINC000072477827 258064822 /nfs/dbraw/zinc/06/48/22/258064822.db2.gz KPCIKMPZZPNLPP-HNNXBMFYSA-N -1 0 341.411 2.865 50 0 EFAARM COCC[C@]1(C(=O)[O-])CCCN(c2cccc(C(F)(F)F)n2)C1 ZINC000071440396 132814330 /nfs/dbraw/zinc/81/43/30/132814330.db2.gz PDDIKXWBPKHGSM-CQSZACIVSA-N -1 0 332.322 2.808 50 0 EFAARM COC(=O)c1ccsc1NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000017070864 292028874 /nfs/dbraw/zinc/02/88/74/292028874.db2.gz QIEBPZRXOWYLGO-NWDGAFQWSA-N -1 0 337.397 2.920 50 0 EFAARM C[C@@H](C(=O)[O-])[C@H](C)NC(=O)CCc1cc(Br)cs1 ZINC000263452648 141396174 /nfs/dbraw/zinc/39/61/74/141396174.db2.gz OLAINFDPTVLQTR-SFYZADRCSA-N -1 0 334.235 2.669 50 0 EFAARM CCOC(=O)N1CCC(n2c(=O)c3sccc3[n-]c2=S)CC1 ZINC000070460322 285810549 /nfs/dbraw/zinc/81/05/49/285810549.db2.gz QHVWCXOAWCKQTC-UHFFFAOYSA-N -1 0 339.442 2.914 50 0 EFAARM CC[C@@H]1c2cccn2CCN1C(=O)c1ccccc1NCC(=O)[O-] ZINC000055035902 287372920 /nfs/dbraw/zinc/37/29/20/287372920.db2.gz HUMYHQIQRQQZOK-OAHLLOKOSA-N -1 0 327.384 2.592 50 0 EFAARM Cc1csc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CCC4)n1 ZINC000100613795 544560868 /nfs/dbraw/zinc/56/08/68/544560868.db2.gz FONSRLOMUWWQIA-UHFFFAOYSA-N -1 0 341.392 2.671 50 0 EFAARM CC(=O)c1cn(CCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c2ccccc12 ZINC000040310109 278253292 /nfs/dbraw/zinc/25/32/92/278253292.db2.gz DLRUNVXFGVLQAI-INIZCTEOSA-N -1 0 344.411 2.850 50 0 biogenic EFAARM CC(C)(C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NC(C)(C)C ZINC000003394782 278370677 /nfs/dbraw/zinc/37/06/77/278370677.db2.gz GVUAPBFHEYGTCV-UHFFFAOYSA-N -1 0 328.434 2.672 50 0 EFAARM COc1c2ccoc2c(OC)c2c1C([O-])=C[C@](O)(C(F)(F)F)O2 ZINC000000236295 294908934 /nfs/dbraw/zinc/90/89/34/294908934.db2.gz AFRKOYFFPJYBHL-CYBMUJFWSA-N -1 0 332.230 2.666 50 0 biogenic EFAARM Cc1cc(C)nc(N2CCC(Oc3ccccc3F)(C(=O)[O-])CC2)n1 ZINC000072462941 301262421 /nfs/dbraw/zinc/26/24/21/301262421.db2.gz DVJNKYMLQRIFPZ-UHFFFAOYSA-N -1 0 345.374 2.735 50 0 EFAARM Cc1ccc(C2=NC(=S)N(c3ccc(C(=O)[O-])cc3)CN2)cc1 ZINC000004140701 301570160 /nfs/dbraw/zinc/57/01/60/301570160.db2.gz BUPLCZQLCNQREZ-UHFFFAOYSA-N -1 0 325.393 2.792 50 0 EFAARM Cc1cnc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CCC4)s1 ZINC000100613798 302362665 /nfs/dbraw/zinc/36/26/65/302362665.db2.gz SJXHMJKBSCXNPD-UHFFFAOYSA-N -1 0 341.392 2.671 50 0 EFAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)c1oc2ccc(C)cc2c1C)C(=O)[O-] ZINC000067817020 302494456 /nfs/dbraw/zinc/49/44/56/302494456.db2.gz VOESYUUQSCZYML-OAHLLOKOSA-N -1 0 341.367 2.945 50 0 EFAARM Cc1n[nH]c(C)c1[C@H](NC(=O)c1cc2c(s1)CCCCC2)C(=O)[O-] ZINC000067726668 302521853 /nfs/dbraw/zinc/52/18/53/302521853.db2.gz UFKJWFMGSFCAJD-HNNXBMFYSA-N -1 0 347.440 2.913 50 0 EFAARM O=C(NC12CC3CC(CC(C3)C1)C2)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000008995777 303724215 /nfs/dbraw/zinc/72/42/15/303724215.db2.gz RPVRRKGDXCHCFO-UHFFFAOYSA-N -1 0 338.407 2.932 50 0 EFAARM CCOC(=O)c1nc(NC(=O)Cc2ccccc2C(=O)[O-])sc1C ZINC000071279694 441143159 /nfs/dbraw/zinc/14/31/59/441143159.db2.gz MDWHIWLPOHPYRW-UHFFFAOYSA-N -1 0 348.380 2.508 50 0 EFAARM O=S(=O)([N-]c1ccccn1)c1cnc(Cl)c(Br)c1 ZINC000000540291 462569393 /nfs/dbraw/zinc/56/93/93/462569393.db2.gz YNLJPMHXMNOJTA-UHFFFAOYSA-N -1 0 348.609 2.693 50 0 EFAARM COc1cc(Br)ccc1S(=O)(=O)[N-]c1cccnc1 ZINC000041091798 472043909 /nfs/dbraw/zinc/04/39/09/472043909.db2.gz ODOBGIAHBUQPOT-UHFFFAOYSA-N -1 0 343.202 2.654 50 0 EFAARM Cc1ccc2nc(C)c(C)c(C(=O)NC3(C(=O)[O-])CCOCC3)c2c1 ZINC000095497013 473213460 /nfs/dbraw/zinc/21/34/60/473213460.db2.gz WMQKLPFPGUEXDC-UHFFFAOYSA-N -1 0 342.395 2.524 50 0 EFAARM COc1ccc(OC2CCN(c3cc(C(=O)[O-])ccn3)CC2)cc1 ZINC000095528394 473220697 /nfs/dbraw/zinc/22/06/97/473220697.db2.gz FYXLZAHMQGKFCO-UHFFFAOYSA-N -1 0 328.368 2.836 50 0 EFAARM COc1ccccc1OC1CCN(c2cccc(C(=O)[O-])n2)CC1 ZINC000095510851 473216929 /nfs/dbraw/zinc/21/69/29/473216929.db2.gz PMZCLNHJDCTNQM-UHFFFAOYSA-N -1 0 328.368 2.836 50 0 EFAARM Cc1[nH]c2c(c1CC(=O)N1CCC[C@H](C(=O)[O-])C1)c(C)ccc2C ZINC000095512903 473217930 /nfs/dbraw/zinc/21/79/30/473217930.db2.gz HDOWRVQLOVSLKE-AWEZNQCLSA-N -1 0 328.412 2.959 50 0 EFAARM Cc1noc(C)c1[C@@H](C(=O)[O-])N(C)Cc1ccc2nsnc2c1 ZINC000095515209 473218227 /nfs/dbraw/zinc/21/82/27/473218227.db2.gz CGSUJSWBBGZRRI-AWEZNQCLSA-N -1 0 332.385 2.554 50 0 EFAARM COc1cc(C)cc([C@@H](C(=O)[O-])N(C)Cc2ccncc2C)c1OC ZINC000095529986 473220995 /nfs/dbraw/zinc/22/09/95/473220995.db2.gz DDKDFFXJQIIHTP-KRWDZBQOSA-N -1 0 344.411 2.973 50 0 EFAARM CCc1ccc(S(=O)(=O)[N-]c2cnn(C3CCOCC3)c2)s1 ZINC000096123396 473308412 /nfs/dbraw/zinc/30/84/12/473308412.db2.gz NIJORASTLKHKSU-UHFFFAOYSA-N -1 0 341.458 2.659 50 0 EFAARM CCCOCC(=O)Nc1cc(C(=O)[O-])c(Br)cc1C ZINC000389191121 476781391 /nfs/dbraw/zinc/78/13/91/476781391.db2.gz OHXUYYYRQYKSDC-UHFFFAOYSA-N -1 0 330.178 2.821 50 0 EFAARM COC(=O)[C@@]1(C)CC[C@@H](C(=O)Nc2ccccc2C(=O)[O-])C1(C)C ZINC000000036755 471319009 /nfs/dbraw/zinc/31/90/09/471319009.db2.gz WXPJXQQFUOLUBZ-KPZWWZAWSA-N -1 0 333.384 2.939 50 0 EFAARM CC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000081202 471320947 /nfs/dbraw/zinc/32/09/47/471320947.db2.gz RIRCXDUXNBWFDT-UHFFFAOYSA-N -1 0 348.428 2.652 50 0 EFAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)no1 ZINC000000089439 471322037 /nfs/dbraw/zinc/32/20/37/471322037.db2.gz HMEIIYOXONIBAK-UHFFFAOYSA-N -1 0 337.401 2.768 50 0 EFAARM Cc1cc2ncn(C[C@H](O)COc3ccc(C(=O)[O-])cc3)c2cc1C ZINC000000098535 471323354 /nfs/dbraw/zinc/32/33/54/471323354.db2.gz SPOFGIRCRRPIIO-HNNXBMFYSA-N -1 0 340.379 2.791 50 0 EFAARM O=C([O-])c1cccc(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)c1 ZINC000000108926 471324064 /nfs/dbraw/zinc/32/40/64/471324064.db2.gz ZPEIYPUOQMCHAO-AWEZNQCLSA-N -1 0 342.376 2.826 50 0 EFAARM COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000000104853 471324291 /nfs/dbraw/zinc/32/42/91/471324291.db2.gz QHBHFAWXYGGLGG-INIZCTEOSA-N -1 0 329.352 2.650 50 0 biogenic EFAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccco1 ZINC000000132098 471327371 /nfs/dbraw/zinc/32/73/71/471327371.db2.gz GNKMXZISPALZLC-UHFFFAOYSA-N -1 0 343.364 2.728 50 0 EFAARM O=C([O-])CSCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000000154801 471329048 /nfs/dbraw/zinc/32/90/48/471329048.db2.gz COXSLEPIMHUUMV-UHFFFAOYSA-N -1 0 344.364 2.845 50 0 EFAARM CCOc1ccc(-c2c(C)sc3ncn(CC(=O)[O-])c(=O)c32)cc1 ZINC000000148661 471329193 /nfs/dbraw/zinc/32/91/93/471329193.db2.gz AGLTZCNYGIBAFQ-UHFFFAOYSA-N -1 0 344.392 2.917 50 0 EFAARM Cc1ccc(C(=O)N/C(=C/c2ccc3c(c2)OCO3)C(=O)[O-])cc1 ZINC000000184683 471332587 /nfs/dbraw/zinc/33/25/87/471332587.db2.gz OTUROZGYSAUHMY-RIYZIHGNSA-N -1 0 325.320 2.579 50 0 EFAARM Cc1cccc(N2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)[O-])CC2)c1C ZINC000000204934 471334707 /nfs/dbraw/zinc/33/47/07/471334707.db2.gz ZQVWVLHRJCXSMM-DLBZAZTESA-N -1 0 344.455 2.843 50 0 EFAARM COC(=O)c1ccccc1NCc1ccc(OC)c(OC)c1C(=O)[O-] ZINC000000265455 471341234 /nfs/dbraw/zinc/34/12/34/471341234.db2.gz RANPVONUDUHTAS-UHFFFAOYSA-N -1 0 345.351 2.801 50 0 biogenic EFAARM COc1cccc2cc(C(=O)Nc3ccccc3C(=O)[O-])c(=O)oc21 ZINC000000281314 471342768 /nfs/dbraw/zinc/34/27/68/471342768.db2.gz LNGRNSSMWVDUPX-UHFFFAOYSA-N -1 0 339.303 2.752 50 0 EFAARM Cc1c(NC(=S)NC(=O)c2ccccc2F)cccc1C(=O)[O-] ZINC000000311353 471347022 /nfs/dbraw/zinc/34/70/22/471347022.db2.gz RBHPNJFRBCXNRS-UHFFFAOYSA-N -1 0 332.356 2.959 50 0 EFAARM CCOC(=O)c1c(C)c(C(=O)OCc2ccccc2)[nH]c1C(=O)[O-] ZINC000000391084 471354371 /nfs/dbraw/zinc/35/43/71/471354371.db2.gz SWXNYMZEQBOXAG-UHFFFAOYSA-N -1 0 331.324 2.555 50 0 EFAARM COc1cc2[n-]c(=S)n(Cc3ccc(F)cc3)c(=O)c2cc1OC ZINC000000425217 471358051 /nfs/dbraw/zinc/35/80/51/471358051.db2.gz KHTVILAFGOHENU-UHFFFAOYSA-N -1 0 346.383 2.890 50 0 EFAARM CC[C@]1(C(=O)c2ccccc2)C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000000438000 471359804 /nfs/dbraw/zinc/35/98/04/471359804.db2.gz WCMUFBCNVBVYPG-IBGZPJMESA-N -1 0 336.347 2.753 50 0 EFAARM CCOc1ccc2ccc(OCC)c(/C=C3/NC(=O)[N-]C3=O)c2c1 ZINC000000450278 471361271 /nfs/dbraw/zinc/36/12/71/471361271.db2.gz DEFXBJFBQNIAQB-XNTDXEJSSA-N -1 0 326.352 2.818 50 0 EFAARM COc1ccc(OC)c(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)[O-])c1 ZINC000000453014 471362617 /nfs/dbraw/zinc/36/26/17/471362617.db2.gz HPRFRLNSEISIFX-LFIBNONCSA-N -1 0 341.363 2.868 50 0 EFAARM Cc1cc(=O)oc2c1ccc(OCC(=O)[O-])c2C(=O)c1ccccc1 ZINC000000485564 471365054 /nfs/dbraw/zinc/36/50/54/471365054.db2.gz YDATZXXRIXRVJC-UHFFFAOYSA-N -1 0 338.315 2.796 50 0 biogenic EFAARM CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000000479477 471365297 /nfs/dbraw/zinc/36/52/97/471365297.db2.gz XDQANEMEDPIXCO-UHFFFAOYSA-N -1 0 332.425 2.873 50 0 EFAARM COc1ccc(OC)c(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000000537242 471369304 /nfs/dbraw/zinc/36/93/04/471369304.db2.gz LSWBKHUXRSCLQS-HNNXBMFYSA-N -1 0 344.367 2.521 50 0 EFAARM CC(=O)c1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000000540215 471370039 /nfs/dbraw/zinc/37/00/39/471370039.db2.gz LPWRQUCDXBUGID-INIZCTEOSA-N -1 0 326.352 2.707 50 0 EFAARM CCOc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000000570116 471371665 /nfs/dbraw/zinc/37/16/65/471371665.db2.gz BIQQFACJRLZADV-UHFFFAOYSA-N -1 0 344.392 2.910 50 0 EFAARM O=C(CSc1nnc(-c2ccccc2)c(=O)[n-]1)NC1CCCCC1 ZINC000001282249 471385096 /nfs/dbraw/zinc/38/50/96/471385096.db2.gz NOEOOJQPMSEVPA-UHFFFAOYSA-N -1 0 344.440 2.785 50 0 EFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3ccccc3n2)cc1 ZINC000001418663 471389659 /nfs/dbraw/zinc/38/96/59/471389659.db2.gz RKGKQWUTUQUOTE-UHFFFAOYSA-N -1 0 326.377 2.662 50 0 EFAARM COc1ccc(CSC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000001576252 471393300 /nfs/dbraw/zinc/39/33/00/471393300.db2.gz VRTXRNJMNFVTOM-CYBMUJFWSA-N -1 0 341.429 2.906 50 0 EFAARM O=C([O-])CCCN1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S ZINC000002329861 471405909 /nfs/dbraw/zinc/40/59/09/471405909.db2.gz CPHGTNVMIRPEQT-DHZHZOJOSA-N -1 0 347.421 2.629 50 0 EFAARM COc1cc2c(cc1OC)CN(C(=O)c1ccccc1C(=O)[O-])CC2 ZINC000002441373 471408901 /nfs/dbraw/zinc/40/89/01/471408901.db2.gz XTLXMBILFMNULL-UHFFFAOYSA-N -1 0 341.363 2.601 50 0 biogenic EFAARM CCCCCOC(=O)c1[nH]c2c(c1C)C([O-])=C(C(=O)OC)[C@H](C)C2 ZINC000002499372 471410152 /nfs/dbraw/zinc/41/01/52/471410152.db2.gz CHOHAKUYRSDKKL-MFKMUULPSA-N -1 0 335.400 2.834 50 0 EFAARM COc1cccc([C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C)c1OC ZINC000002585841 471411841 /nfs/dbraw/zinc/41/18/41/471411841.db2.gz DMWARYCUBBJWKQ-LLVKDONJSA-N -1 0 325.361 2.744 50 0 EFAARM Cc1cc(C(F)(F)F)nn1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000002767999 471420299 /nfs/dbraw/zinc/42/02/99/471420299.db2.gz XCTHHYSXUJBNJW-UHFFFAOYSA-N -1 0 327.262 2.547 50 0 EFAARM CCn1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2C)c(C)n1 ZINC000002793564 471421581 /nfs/dbraw/zinc/42/15/81/471421581.db2.gz FOQZRBXPCYMRNL-UHFFFAOYSA-N -1 0 345.371 2.922 50 0 EFAARM Cc1cccc2nc(CSc3ccccc3C(=O)[O-])cc(=O)n12 ZINC000003021325 471429901 /nfs/dbraw/zinc/42/99/01/471429901.db2.gz QDFFYTHHKMBUOX-UHFFFAOYSA-N -1 0 326.377 2.993 50 0 EFAARM CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000003201187 471434974 /nfs/dbraw/zinc/43/49/74/471434974.db2.gz QOEDELPTTCDXOY-UHFFFAOYSA-N -1 0 325.773 2.863 50 0 EFAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)cc1 ZINC000004549636 471468678 /nfs/dbraw/zinc/46/86/78/471468678.db2.gz WXRPMAYIUSHIPO-UHFFFAOYSA-N -1 0 340.788 2.805 50 0 EFAARM Cc1cc2ncn(C[C@@H](O)COc3ccccc3C(=O)[O-])c2cc1C ZINC000005059841 471485955 /nfs/dbraw/zinc/48/59/55/471485955.db2.gz QAJNMBNKWMZQCZ-CQSZACIVSA-N -1 0 340.379 2.791 50 0 EFAARM CC[C@@H](Sc1nnc(NC(=O)NC2CCCCC2)s1)C(=O)[O-] ZINC000005253427 471495727 /nfs/dbraw/zinc/49/57/27/471495727.db2.gz KSGZNZDFJCCUNL-SECBINFHSA-N -1 0 344.462 2.948 50 0 EFAARM CCc1cccc(CC)c1NC(=O)C[C@@H](NCc1ccco1)C(=O)[O-] ZINC000005258178 471496712 /nfs/dbraw/zinc/49/67/12/471496712.db2.gz CUQZUIPWEWAVOM-MRXNPFEDSA-N -1 0 344.411 2.976 50 0 EFAARM O=C([O-])c1ccc(NC(=O)CC[C@@H]2COc3ccccc3O2)cc1 ZINC000005429099 471504968 /nfs/dbraw/zinc/50/49/68/471504968.db2.gz IVUYPNUFWGRCKV-CQSZACIVSA-N -1 0 327.336 2.944 50 0 EFAARM CCOc1ccc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])cc1OC ZINC000005791126 471521504 /nfs/dbraw/zinc/52/15/04/471521504.db2.gz WDHAOEKSJDIJCZ-JYRVWZFOSA-N -1 0 335.385 2.738 50 0 EFAARM COc1ccc(-c2cc(C(=O)NCC(=O)[O-])c3ccccc3n2)cc1 ZINC000005917754 471525952 /nfs/dbraw/zinc/52/59/52/471525952.db2.gz JFXSAIVOBBTEQA-UHFFFAOYSA-N -1 0 336.347 2.725 50 0 EFAARM COC(=O)c1cc(Cc2ccccc2)sc1NC(=O)CCC(=O)[O-] ZINC000006179850 471534265 /nfs/dbraw/zinc/53/42/65/471534265.db2.gz NGQGBMKSXIBOHW-UHFFFAOYSA-N -1 0 347.392 2.929 50 0 EFAARM O=C([O-])CCC(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 ZINC000006526489 471548083 /nfs/dbraw/zinc/54/80/83/471548083.db2.gz UOIZXBHQIIXOGO-UHFFFAOYSA-N -1 0 327.296 2.800 50 0 EFAARM Cc1ccc(OCC(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000006613737 471554398 /nfs/dbraw/zinc/55/43/98/471554398.db2.gz YGFHGPWQQIKVLF-UHFFFAOYSA-N -1 0 344.392 2.585 50 0 EFAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000006699683 471561334 /nfs/dbraw/zinc/56/13/34/471561334.db2.gz VFNJJPATNBDDGJ-MSOLQXFVSA-N -1 0 342.439 2.782 50 0 EFAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(Br)c(C)c1 ZINC000006706628 471561990 /nfs/dbraw/zinc/56/19/90/471561990.db2.gz HQSDMYMCNFJYSP-UHFFFAOYSA-N -1 0 344.234 2.600 50 0 EFAARM COc1ccc([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1OC ZINC000006730291 471563506 /nfs/dbraw/zinc/56/35/06/471563506.db2.gz GCYWBXLEDFNDIC-YUTCNCBUSA-N -1 0 335.400 2.772 50 0 EFAARM O=C([O-])CCC(=O)Nc1sccc1C(=O)Nc1ccccc1F ZINC000006731315 471564489 /nfs/dbraw/zinc/56/44/89/471564489.db2.gz DXHRSBXJHMRNOK-UHFFFAOYSA-N -1 0 336.344 2.943 50 0 EFAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2noc3ccccc23)cc1 ZINC000007363552 471608055 /nfs/dbraw/zinc/60/80/55/471608055.db2.gz SFYCKZXJOHEOTQ-UHFFFAOYSA-N -1 0 331.353 2.587 50 0 EFAARM COc1cc([N-]S(=O)(=O)c2cc(F)ccc2F)cc(OC)c1 ZINC000008105556 471663479 /nfs/dbraw/zinc/66/34/79/471663479.db2.gz NMXIMNXBGNBEIY-UHFFFAOYSA-N -1 0 329.324 2.783 50 0 EFAARM CCOC(=O)Cc1cc(=O)n2[n-]c(C)c(-c3ccc(OC)cc3)c2n1 ZINC000008653876 471696860 /nfs/dbraw/zinc/69/68/60/471696860.db2.gz FWFZTXJJDSTZSO-UHFFFAOYSA-N -1 0 341.367 2.525 50 0 EFAARM C[C@@H](NC(=O)c1ccccc1NC(=O)CCC(=O)[O-])c1ccccc1 ZINC000008722808 471701672 /nfs/dbraw/zinc/70/16/72/471701672.db2.gz XTIUWJGFDKTGBD-CYBMUJFWSA-N -1 0 340.379 2.981 50 0 EFAARM Cc1ccc(-n2cc3c(c(C(=O)[O-])c2=O)CC(C)(C)CC3=O)cc1 ZINC000013362681 471827911 /nfs/dbraw/zinc/82/79/11/471827911.db2.gz VCENLLONEAMATI-UHFFFAOYSA-N -1 0 325.364 2.999 50 0 EFAARM Cc1nn(C)cc1-c1cc(C(=O)[O-])n2nc(-c3ccccc3)cc2n1 ZINC000013645739 471835919 /nfs/dbraw/zinc/83/59/19/471835919.db2.gz DDHDTBUBCAMJBL-UHFFFAOYSA-N -1 0 333.351 2.803 50 0 EFAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2cc(F)ccc2F)C[C@H]1C(=O)[O-] ZINC000014632533 471876271 /nfs/dbraw/zinc/87/62/71/471876271.db2.gz JNFRPDDWUFDMJO-JQWIXIFHSA-N -1 0 343.326 2.806 50 0 EFAARM O=C([O-])[C@H]1[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]2CC[C@@H]1O2 ZINC000016552090 471940048 /nfs/dbraw/zinc/94/00/48/471940048.db2.gz ADFBGRDZUXKUKP-NOOOWODRSA-N -1 0 329.274 2.522 50 0 EFAARM COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000016622606 471943967 /nfs/dbraw/zinc/94/39/67/471943967.db2.gz IJOQKDLTVAQRAO-UHFFFAOYSA-N -1 0 341.772 2.848 50 0 EFAARM COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1C(=O)[O-] ZINC000016623236 471944394 /nfs/dbraw/zinc/94/43/94/471944394.db2.gz KRYFJDTYHYNXQP-UHFFFAOYSA-N -1 0 335.381 2.811 50 0 EFAARM CCOC(=O)c1c(NC(=O)C[C@H](C)CC(=O)[O-])sc2c1CCC2 ZINC000017071107 471955197 /nfs/dbraw/zinc/95/51/97/471955197.db2.gz UYTVNZKDGVRHNK-VIFPVBQESA-N -1 0 339.413 2.853 50 0 EFAARM Cc1ccc(-c2csc(NC(=O)CCC(=O)[O-])c2C(N)=O)cc1C ZINC000017072099 471956316 /nfs/dbraw/zinc/95/63/16/471956316.db2.gz MQQLBURUCWXYST-UHFFFAOYSA-N -1 0 346.408 2.934 50 0 EFAARM Cc1nnc(SCC(=O)Nc2cccc3ccccc32)[n-]c1=O ZINC000018209611 471972116 /nfs/dbraw/zinc/97/21/16/471972116.db2.gz AYKJTLDBIWMQLV-UHFFFAOYSA-N -1 0 326.381 2.770 50 0 EFAARM Cc1n[n-]c(SCC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)nc1=O ZINC000018227533 471973271 /nfs/dbraw/zinc/97/32/71/471973271.db2.gz WRFZJVDMSKNDAC-RTXFEEFZSA-N -1 0 339.461 2.569 50 0 EFAARM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)cc1C ZINC000033274062 471982210 /nfs/dbraw/zinc/98/22/10/471982210.db2.gz QYVPQPXQQFTWDR-HZPDHXFCSA-N -1 0 338.342 2.940 50 0 EFAARM COc1ccc(-c2noc(-c3ccccc3[N-]S(C)(=O)=O)n2)cc1 ZINC000033589488 471985278 /nfs/dbraw/zinc/98/52/78/471985278.db2.gz DUHKJBXETINGPY-UHFFFAOYSA-N -1 0 345.380 2.784 50 0 EFAARM CC[C@@H]1C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1CC(=O)[O-] ZINC000019877744 471985816 /nfs/dbraw/zinc/98/58/16/471985816.db2.gz PKLKUABKQSLZLY-IPYPFGDCSA-N -1 0 347.411 2.650 50 0 EFAARM CCc1nnc2n1N1C(=CS[C@@H]1c1ccc(C(=O)[O-])cc1)S2 ZINC000020739465 471993042 /nfs/dbraw/zinc/99/30/42/471993042.db2.gz IXENIMUVYJCBEQ-GFCCVEGCSA-N -1 0 332.410 2.827 50 0 EFAARM Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000031864415 472399714 /nfs/dbraw/zinc/39/97/14/472399714.db2.gz AFHFQIOEYVCTOH-AWEZNQCLSA-N -1 0 344.436 2.979 50 0 EFAARM COc1ccc(-c2noc(-c3ccc(OCC(=O)[O-])cc3)n2)cc1 ZINC000032578988 472443578 /nfs/dbraw/zinc/44/35/78/472443578.db2.gz YEGFHRUCVKTTHB-UHFFFAOYSA-N -1 0 326.308 2.876 50 0 EFAARM COc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC000032601589 472446554 /nfs/dbraw/zinc/44/65/54/472446554.db2.gz WEAMEJXFLDYXNO-UHFFFAOYSA-N -1 0 341.772 2.848 50 0 EFAARM COc1ccc(Cl)cc1-c1cc(C(=O)[O-])cc(-n2cnnn2)c1 ZINC000118290310 472492566 /nfs/dbraw/zinc/49/25/66/472492566.db2.gz FIARZMXLHSOJHY-UHFFFAOYSA-N -1 0 330.731 2.690 50 0 EFAARM CC(=O)c1cc(CN2CCC(C(=O)[O-])(n3cc(C)cn3)CC2)cs1 ZINC000077388379 472518776 /nfs/dbraw/zinc/51/87/76/472518776.db2.gz PACJVIUTEXFHJA-UHFFFAOYSA-N -1 0 347.440 2.532 50 0 EFAARM Cc1nnc(-c2ccccc2NC(=O)Cc2ccccc2C(=O)[O-])o1 ZINC000071285569 472547369 /nfs/dbraw/zinc/54/73/69/472547369.db2.gz IIZRLPSWLCHTLW-UHFFFAOYSA-N -1 0 337.335 2.924 50 0 EFAARM COc1cc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)ccc1NC(=O)C(C)C ZINC000071283349 472547705 /nfs/dbraw/zinc/54/77/05/472547705.db2.gz FKLUJGLSEQHKLD-UONOGXRCSA-N -1 0 348.399 2.585 50 0 EFAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(NC(=O)C2CCC2)cc1 ZINC000071288932 472547841 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COc1ccc(-c2c(C(=O)[O-])nnn2Cc2cccc(F)c2)cc1 ZINC000065288281 472921560 /nfs/dbraw/zinc/92/15/60/472921560.db2.gz SHSANEWRAHXLQU-UHFFFAOYSA-N -1 0 327.315 2.839 50 0 EFAARM Cc1ccc(Cl)cc1NC(=O)N1CCn2nc(C(=O)[O-])cc2C1 ZINC000065507686 472959975 /nfs/dbraw/zinc/95/99/75/472959975.db2.gz JKFBKYBIEXOVTM-UHFFFAOYSA-N -1 0 334.763 2.591 50 0 EFAARM C[C@@H]1Cc2cccc3c2n1c(=O)c(C(=O)NCc1ccccc1)c3[O-] ZINC000170624674 473567613 /nfs/dbraw/zinc/56/76/13/473567613.db2.gz JSWJJWCCMCATNL-GFCCVEGCSA-N -1 0 334.375 2.754 50 0 EFAARM O=C([O-])c1ccc(O[C@@H]2COCC[C@H]2NC(=O)CC2CCCC2)cc1 ZINC000222419523 474169596 /nfs/dbraw/zinc/16/95/96/474169596.db2.gz INMMGDVDDGGSKU-IAGOWNOFSA-N -1 0 347.411 2.618 50 0 EFAARM CN(C)[C@@H](C(=O)N1CCC(CCC(=O)[O-])CC1)c1ccc(F)cc1 ZINC000223275392 474181486 /nfs/dbraw/zinc/18/14/86/474181486.db2.gz XQDXDCUUNCQGJJ-QGZVFWFLSA-N -1 0 336.407 2.532 50 0 EFAARM O=C([O-])c1ccc(O[C@@H]2CCOC[C@H]2Nc2ccncc2F)cc1 ZINC000223390999 474184034 /nfs/dbraw/zinc/18/40/34/474184034.db2.gz 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O=C([O-])[C@H]1CN(Cc2cnc(-c3cccc4ccccc43)nc2)CCO1 ZINC000828488888 1267759656 /nfs/dbraw/zinc/75/96/56/1267759656.db2.gz BGFPLCGNZKHFGV-GOSISDBHSA-N -1 0 349.390 2.582 50 0 EFAARM Cn1nc(C(=O)[O-])c2c1CCN(Cc1ccc([C@H]3CCCCO3)o1)C2 ZINC000828571145 1267799911 /nfs/dbraw/zinc/79/99/11/1267799911.db2.gz ISBVWEZFCIIDRN-OAHLLOKOSA-N -1 0 345.399 2.511 50 0 EFAARM CN(Cc1ccc2nonc2c1)Cc1nc(=O)c2sccc2[n-]1 ZINC000821408496 1277539066 /nfs/dbraw/zinc/53/90/66/1277539066.db2.gz JQDAGBGXGOXOAL-UHFFFAOYSA-N -1 0 327.369 2.565 50 0 EFAARM Cc1cc(NC(=O)CCC(=O)[O-])ccc1NC(=O)Cc1ccccc1 ZINC000000470428 1303550639 /nfs/dbraw/zinc/55/06/39/1303550639.db2.gz BVACOBPBPBPIRD-UHFFFAOYSA-N -1 0 340.379 2.980 50 0 EFAARM Cc1c(-c2cc(C(=O)[O-])n3ncc(-c4ccccc4)c3n2)cnn1C ZINC000013645718 1309856369 /nfs/dbraw/zinc/85/63/69/1309856369.db2.gz HETRTXKIRWRPOK-UHFFFAOYSA-N -1 0 333.351 2.803 50 0 EFAARM O=C([O-])COc1ccccc1CNCc1nncn1C1CCCCC1 ZINC001506419525 1405760918 /nfs/dbraw/zinc/76/09/18/1405760918.db2.gz DSLOXUILWLNWGE-UHFFFAOYSA-N -1 0 344.415 2.537 50 0 EFAARM O=C(c1cc(=O)c2cccc(F)c2[n-]1)N1CCC[C@@]2(CCC[C@H]2O)C1 ZINC001704299895 1417901399 /nfs/dbraw/zinc/90/13/99/1417901399.db2.gz NFIPTHLEHPRKTD-APWZRJJASA-N -1 0 344.386 2.847 50 0 EFAARM CC[C@@H](CNc1noc(-c2ccccc2)c1C(=O)[O-])N1CCOCC1 ZINC001704333705 1417909196 /nfs/dbraw/zinc/90/91/96/1417909196.db2.gz FEHZOYDMWRUTFG-AWEZNQCLSA-N -1 0 345.399 2.563 50 0 EFAARM O=C(C[C@H](c1cccc2ccccc21)n1cccc1)Nc1nnn[n-]1 ZINC000263588175 1423774382 /nfs/dbraw/zinc/77/43/82/1423774382.db2.gz QBGLQSNKJAFAGQ-MRXNPFEDSA-N -1 0 332.367 2.773 50 0 EFAARM Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000016551861 1424698141 /nfs/dbraw/zinc/69/81/41/1424698141.db2.gz OQDCFBLHFCYDAY-UHFFFAOYSA-N -1 0 343.774 2.846 50 0 EFAARM O=C(Nc1ccc(Oc2nnn[n-]2)cc1)c1ccc2scnc2c1 ZINC000828168613 1427226588 /nfs/dbraw/zinc/22/65/88/1427226588.db2.gz BDQDTXRGHQNRPF-UHFFFAOYSA-N -1 0 338.352 2.854 50 0 EFAARM O=C(Nc1ccc(Oc2nn[n-]n2)cc1)c1cnc2c(c1)CCCC2 ZINC000828199715 1449539839 /nfs/dbraw/zinc/53/98/39/1449539839.db2.gz DAFHCQTYLFSQFX-UHFFFAOYSA-N -1 0 336.355 2.518 50 0 EFAARM O=C([O-])CCCCCN1C(=O)c2ccc(Br)cc2C1=O ZINC000003188583 721369173 /nfs/dbraw/zinc/36/91/73/721369173.db2.gz BIDILBINQOVPJQ-UHFFFAOYSA-N -1 0 340.173 2.690 50 0 EFAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ncccn2)c1=O ZINC000006072990 1098022269 /nfs/dbraw/zinc/02/22/69/1098022269.db2.gz BDGKXPNAABNADF-UHFFFAOYSA-N -1 0 338.367 2.550 50 0 EFAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(OC)cc2)c1=O ZINC000006520089 1098101207 /nfs/dbraw/zinc/10/12/07/1098101207.db2.gz UDBJMMIAQGWGJK-UHFFFAOYSA-N -1 0 338.363 2.988 50 0 EFAARM O=C([O-])C1(NS(=O)(=O)c2ccc(F)c(Cl)c2)CCCCC1 ZINC000004272494 210157117 /nfs/dbraw/zinc/15/71/17/210157117.db2.gz XHMNTFYHXUBTJX-UHFFFAOYSA-N -1 0 335.784 2.545 50 0 EFAARM COc1cccc(-c2nc(CC(=O)N[C@@H](C(=O)[O-])C(C)C)cs2)c1 ZINC000036575495 201786312 /nfs/dbraw/zinc/78/63/12/201786312.db2.gz MMRQPMNEPDLVKL-OAHLLOKOSA-N -1 0 348.424 2.587 50 0 EFAARM CCOCCOc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000009878522 201790471 /nfs/dbraw/zinc/79/04/71/201790471.db2.gz WHBOOWNHFQLMRG-JKSUJKDBSA-N -1 0 335.400 2.931 50 0 EFAARM Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)[O-])cc3C[C@H]2C)cc1 ZINC000010326369 201796801 /nfs/dbraw/zinc/79/68/01/201796801.db2.gz SXCYHMXNQVFARQ-GFCCVEGCSA-N -1 0 331.393 2.833 50 0 EFAARM COc1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)cc1 ZINC000014632494 201939762 /nfs/dbraw/zinc/93/97/62/201939762.db2.gz MTUCDCMXIZTMIN-KBPBESRZSA-N -1 0 337.372 2.537 50 0 EFAARM O=C([O-])C=Cc1cccc(N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)c1 ZINC000102784063 304023761 /nfs/dbraw/zinc/02/37/61/304023761.db2.gz ANBPDQVBHMMILL-SZBGIYDQSA-N -1 0 331.755 2.807 50 0 EFAARM O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2ccccc2F)C1=O ZINC000019788974 202021347 /nfs/dbraw/zinc/02/13/47/202021347.db2.gz MZLWPOIYIBODOL-AWEZNQCLSA-N -1 0 345.351 2.948 50 0 EFAARM Cc1nc2n(c(=O)c1CCSc1ccccc1C(=O)[O-])CCCC2 ZINC000020725418 202053857 /nfs/dbraw/zinc/05/38/57/202053857.db2.gz MAGHZBVQFVYYKI-UHFFFAOYSA-N -1 0 344.436 2.921 50 0 EFAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2csc(-c3ccccc3F)n2)C1 ZINC000020736367 202053974 /nfs/dbraw/zinc/05/39/74/202053974.db2.gz NWOSOPHZFIYSOG-LLVKDONJSA-N -1 0 348.399 2.815 50 0 EFAARM CC[C@H](NC(=O)c1nn(C)cc1C(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000020614561 202051038 /nfs/dbraw/zinc/05/10/38/202051038.db2.gz DMBRQJNAJBCXKV-GNIFAOBRSA-N -1 0 345.443 2.843 50 0 EFAARM Cc1nc(-n2cccc2)sc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000020718710 202052383 /nfs/dbraw/zinc/05/23/83/202052383.db2.gz NECIYLDCXZXSPP-UHFFFAOYSA-N -1 0 341.392 2.870 50 0 EFAARM CS(=O)(=O)[N-]c1ccccc1-c1nc(Cc2ccccc2)no1 ZINC000022464482 202085880 /nfs/dbraw/zinc/08/58/80/202085880.db2.gz HLFLVUOCQGFIKX-UHFFFAOYSA-N -1 0 329.381 2.699 50 0 EFAARM O=C([O-])CN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O ZINC000000151448 304067164 /nfs/dbraw/zinc/06/71/64/304067164.db2.gz FHIZSYJTTDFYKS-UHFFFAOYSA-N -1 0 342.949 2.981 50 0 EFAARM O=C([O-])C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000000249150 304081198 /nfs/dbraw/zinc/08/11/98/304081198.db2.gz PKPITNALFNRYTK-RYUDHWBXSA-N -1 0 331.290 2.914 50 0 EFAARM O=C([O-])Cc1c(I)cccc1C(F)(F)F ZINC000098042872 304087979 /nfs/dbraw/zinc/08/79/79/304087979.db2.gz RKLVJMNKRAWGID-UHFFFAOYSA-N -1 0 330.043 2.937 50 0 EFAARM O=C([O-])CCn1cc([C@@H](C(=O)[O-])[NH+]2CCCCC2)c2ccc(F)cc21 ZINC000036366358 202323479 /nfs/dbraw/zinc/32/34/79/202323479.db2.gz AQHZSRNPPYFFLS-KRWDZBQOSA-N -1 0 348.374 2.867 50 0 EFAARM CN(C)C(=O)CCc1cccc(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000036565554 202325759 /nfs/dbraw/zinc/32/57/59/202325759.db2.gz ATGCPMKMAHXUJI-UHFFFAOYSA-N -1 0 340.379 2.658 50 0 EFAARM CC[C@@H](C)[C@@H](NC(=O)N1CCc2c3ccccc3[nH]c2C1)C(=O)[O-] ZINC000036579982 202326206 /nfs/dbraw/zinc/32/62/06/202326206.db2.gz RACJZOSPZFRWNM-BDJLRTHQSA-N -1 0 329.400 2.735 50 0 EFAARM Cc1c2c(nn1-c1ccc(C)cc1)c(SCC(=O)[O-])nnc2C ZINC000036646304 202328119 /nfs/dbraw/zinc/32/81/19/202328119.db2.gz YZZCJTKSBJBDLI-UHFFFAOYSA-N -1 0 328.397 2.917 50 0 EFAARM Cn1nc(-c2ccncc2)c2c1ncnc2Nc1cccc(C(=O)[O-])c1 ZINC000071405483 202349558 /nfs/dbraw/zinc/34/95/58/202349558.db2.gz DCFRUFQLOMBAAU-UHFFFAOYSA-N -1 0 346.350 2.867 50 0 EFAARM CCOc1ccc(NS(=O)(=O)c2ccsc2C(=O)[O-])cc1 ZINC000037370738 202340477 /nfs/dbraw/zinc/34/04/77/202340477.db2.gz JZHUAIDLMKHQFU-UHFFFAOYSA-N -1 0 327.383 2.646 50 0 EFAARM CCOC(=O)C[C@@H](c1cccnc1)c1c([O-])c2ccccc2[nH]c1=O ZINC000072325836 202363961 /nfs/dbraw/zinc/36/39/61/202363961.db2.gz BTNFNAMREJMGIF-AWEZNQCLSA-N -1 0 338.363 2.714 50 0 biogenic EFAARM CCOc1ccc(N(Cc2ccc(C(=O)[O-])cc2)S(C)(=O)=O)cc1 ZINC000039315706 202412566 /nfs/dbraw/zinc/41/25/66/202412566.db2.gz FVMKQMJFPAOCFV-UHFFFAOYSA-N -1 0 349.408 2.750 50 0 EFAARM COc1cccc2c1ccn2CCC(=O)NCCCCCC(=O)[O-] ZINC000040309746 202433165 /nfs/dbraw/zinc/43/31/65/202433165.db2.gz BPOZFKUERXSVKE-UHFFFAOYSA-N -1 0 332.400 2.801 50 0 biogenic EFAARM CC(C)c1ccn(C2(C(=O)[O-])CCN(C(=O)C[C@@H]3C=CCC3)CC2)n1 ZINC000072433817 216228080 /nfs/dbraw/zinc/22/80/80/216228080.db2.gz JARIOCYJXABNHQ-OAHLLOKOSA-N -1 0 345.443 2.765 50 0 EFAARM CCc1cc(C(=O)N2CCC(C(=O)[O-])(n3cc(C)cn3)CC2)cs1 ZINC000072434437 216229691 /nfs/dbraw/zinc/22/96/91/216229691.db2.gz DZTRGDBKSJMWLR-UHFFFAOYSA-N -1 0 347.440 2.532 50 0 EFAARM Cc1nccn1C1(C(=O)[O-])CCN(c2ccc3ccccc3n2)CC1 ZINC000072447812 216237555 /nfs/dbraw/zinc/23/75/55/216237555.db2.gz CXGYONDOYNQKNU-UHFFFAOYSA-N -1 0 336.395 2.820 50 0 EFAARM O=C([O-])CCCNC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000004952486 201057371 /nfs/dbraw/zinc/05/73/71/201057371.db2.gz HWDKBXSCKFFNOU-UHFFFAOYSA-N -1 0 326.352 2.534 50 0 EFAARM CC[C@@H](C)[C@H](NC(=O)N1CCc2c3ccccc3[nH]c2C1)C(=O)[O-] ZINC000012899547 201364386 /nfs/dbraw/zinc/36/43/86/201364386.db2.gz RACJZOSPZFRWNM-BZNIZROVSA-N -1 0 329.400 2.735 50 0 biogenic EFAARM O=C([O-])[C@@H]1CCCc2sc(NC(=O)c3ccc4c(c3)OCO4)nc21 ZINC000011920133 304120000 /nfs/dbraw/zinc/12/00/00/304120000.db2.gz AMRHUBFODIDOKD-SECBINFHSA-N -1 0 346.364 2.629 50 0 EFAARM COc1cc(Br)c(Br)cc1OCC(=O)[O-] ZINC000000142144 201439710 /nfs/dbraw/zinc/43/97/10/201439710.db2.gz RUHTXCNDIRSPCB-UHFFFAOYSA-N -1 0 339.967 2.684 50 0 EFAARM O=C1OCc2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc21 ZINC000000147128 201441043 /nfs/dbraw/zinc/44/10/43/201441043.db2.gz AZFSNDGIEALTHI-UHFFFAOYSA-N -1 0 340.360 2.706 50 0 EFAARM COc1cccc(OC)c1/C=C(\NC(=O)c1ccccc1)C(=O)[O-] ZINC000001698475 201517753 /nfs/dbraw/zinc/51/77/53/201517753.db2.gz INFRBHXJSLPXPT-KAMYIIQDSA-N -1 0 327.336 2.559 50 0 EFAARM CCOC(=O)[C@](CCC(=O)[O-])(CCC(C)C)c1csc(N)n1 ZINC000002350715 201529595 /nfs/dbraw/zinc/52/95/95/201529595.db2.gz ZLGWGYVHTJHKGV-HNNXBMFYSA-N -1 0 328.434 2.827 50 0 EFAARM COc1cc(C(=O)Nc2ccccc2C(=O)[O-])cc(OC)c1OC ZINC000002566726 201536341 /nfs/dbraw/zinc/53/63/41/201536341.db2.gz BFPVUVMIZPMOBH-UHFFFAOYSA-N -1 0 331.324 2.663 50 0 EFAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc(C)c2C)cc1 ZINC000002815328 201547300 /nfs/dbraw/zinc/54/73/00/201547300.db2.gz IATCKGJZAKEPMT-UHFFFAOYSA-N -1 0 333.409 2.892 50 0 EFAARM COC(=O)c1cc(C)sc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000004902115 201626185 /nfs/dbraw/zinc/62/61/85/201626185.db2.gz PCPHGFITLOYTLU-VHSXEESVSA-N -1 0 325.386 2.673 50 0 EFAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(C)cc2C)cc1 ZINC000004995727 201632594 /nfs/dbraw/zinc/63/25/94/201632594.db2.gz IMPXUJGBTMLICL-UHFFFAOYSA-N -1 0 333.409 2.892 50 0 EFAARM CCc1cc(C(=O)OC)c(NC(=O)CC(C)(C)CC(=O)[O-])s1 ZINC000006708358 201690916 /nfs/dbraw/zinc/69/09/16/201690916.db2.gz QGGHTRITTNANDT-UHFFFAOYSA-N -1 0 327.402 2.927 50 0 EFAARM CCc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)[O-])cc1 ZINC000062591970 202800220 /nfs/dbraw/zinc/80/02/20/202800220.db2.gz AFFNQZGVHQZCNC-UHFFFAOYSA-N -1 0 325.411 2.834 50 0 EFAARM Cc1ccc(C)c(OCC(=O)Nc2ccc(OCC(=O)[O-])cc2)c1 ZINC000020503416 212141727 /nfs/dbraw/zinc/14/17/27/212141727.db2.gz RSHRGLCKCVHXOL-UHFFFAOYSA-N -1 0 329.352 2.784 50 0 EFAARM CCCc1cc(C(N)=O)c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000017071011 284105668 /nfs/dbraw/zinc/10/56/68/284105668.db2.gz KSRZPBJWXFQPAM-QWRGUYRKSA-N -1 0 338.429 2.629 50 0 EFAARM CCC[C@]1(C(=O)[O-])CCCN(C(=O)c2cccc(OC)c2OC)C1 ZINC000091593726 203074975 /nfs/dbraw/zinc/07/49/75/203074975.db2.gz HVJCYVIGHHBCRU-SFHVURJKSA-N -1 0 335.400 2.811 50 0 EFAARM O=C([O-])c1cn(-c2ncccc2-c2nc(-c3ccccc3)no2)cn1 ZINC000070451530 203075376 /nfs/dbraw/zinc/07/53/76/203075376.db2.gz LTZVEOROTAYFEZ-UHFFFAOYSA-N -1 0 333.307 2.683 50 0 EFAARM CC(C)c1nc(-c2ccc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])C3(C)C)cc2)n[nH]1 ZINC000071287729 203090876 /nfs/dbraw/zinc/09/08/76/203090876.db2.gz GEKXMZNQRGKABI-STQMWFEESA-N -1 0 342.399 2.890 50 0 EFAARM COCc1c(C(=O)[O-])nnn1-c1ccc(Cl)c(C(F)(F)F)c1 ZINC000071327492 203092251 /nfs/dbraw/zinc/09/22/51/203092251.db2.gz FALHWGWVJDFZOA-UHFFFAOYSA-N -1 0 335.669 2.784 50 0 EFAARM CC(C)Cc1ncc2c(n1)CN(Cc1nc(=O)c3sccc3[n-]1)C2 ZINC000253537121 244016977 /nfs/dbraw/zinc/01/69/77/244016977.db2.gz YKIODLYOSOQKKF-UHFFFAOYSA-N -1 0 341.440 2.901 50 0 EFAARM O=C([O-])[C@@]1(Cc2ccc(F)cc2F)CCCN(c2ncccn2)C1 ZINC000071745330 203104722 /nfs/dbraw/zinc/10/47/22/203104722.db2.gz ZYJAYILKPQLOMC-QGZVFWFLSA-N -1 0 333.338 2.669 50 0 EFAARM Cc1cccc(-c2ccccc2C(=O)N2CCC(O)(C(=O)[O-])CC2)c1 ZINC000071747528 203106279 /nfs/dbraw/zinc/10/62/79/203106279.db2.gz UVFVCQVJTVZULN-UHFFFAOYSA-N -1 0 339.391 2.714 50 0 EFAARM O=C([O-])CN1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000071752403 203108031 /nfs/dbraw/zinc/10/80/31/203108031.db2.gz JUJARXKLNXHYOB-GOSISDBHSA-N -1 0 325.408 2.994 50 0 EFAARM O=C([O-])C1(Cc2ccc(C(F)(F)F)cc2)CCS(=O)(=O)CC1 ZINC000255189935 244047612 /nfs/dbraw/zinc/04/76/12/244047612.db2.gz TVUXGAURHSIBPH-UHFFFAOYSA-N -1 0 336.331 2.528 50 0 EFAARM O=C([O-])C1(Cc2ccccc2C(F)(F)F)CCS(=O)(=O)CC1 ZINC000255190071 244048214 /nfs/dbraw/zinc/04/82/14/244048214.db2.gz UUUNMWREZIZBPN-UHFFFAOYSA-N -1 0 336.331 2.528 50 0 EFAARM O=C([O-])C1(Cc2cccc(C(F)(F)F)c2)CCS(=O)(=O)CC1 ZINC000255190818 244051137 /nfs/dbraw/zinc/05/11/37/244051137.db2.gz ZSIHZGHJJQOUAQ-UHFFFAOYSA-N -1 0 336.331 2.528 50 0 EFAARM O=C([O-])c1cccc(C[C@H]2CCN(C(=O)c3ccc4[nH]cnc4c3)C2)c1 ZINC000072133096 203167147 /nfs/dbraw/zinc/16/71/47/203167147.db2.gz UTICJKLOKTZJGU-CQSZACIVSA-N -1 0 349.390 2.966 50 0 EFAARM CCCc1cnc(C)nc1-c1cc(NCC(=O)[O-])nc2[nH]ccc21 ZINC000072154595 203175099 /nfs/dbraw/zinc/17/50/99/203175099.db2.gz ZQBVTOUHHOYCIZ-UHFFFAOYSA-N -1 0 325.372 2.777 50 0 EFAARM Cc1cc(C(=O)N2CCC(Cc3cccc(C(=O)[O-])c3)CC2)[nH]n1 ZINC000072172970 203182453 /nfs/dbraw/zinc/18/24/53/203182453.db2.gz NKEPPJVWYAXMOK-UHFFFAOYSA-N -1 0 327.384 2.511 50 0 EFAARM Cc1c[nH]c(C(=O)N2CCC(Oc3cccc(C)c3)(C(=O)[O-])CC2)c1 ZINC000072459002 203228380 /nfs/dbraw/zinc/22/83/80/203228380.db2.gz SDRANAVXVNAHAQ-UHFFFAOYSA-N -1 0 342.395 2.770 50 0 EFAARM Cc1cccc(OC2(C(=O)[O-])CCN(c3ccc(C)nn3)CC2)c1 ZINC000072481234 203233485 /nfs/dbraw/zinc/23/34/85/203233485.db2.gz PSSGKMFWLBONCC-UHFFFAOYSA-N -1 0 327.384 2.596 50 0 EFAARM CCCc1cc(CNc2nccc(-c3cc(C(=O)[O-])ccn3)n2)on1 ZINC000072407652 203216168 /nfs/dbraw/zinc/21/61/68/203216168.db2.gz COFUVERVAYFOJU-UHFFFAOYSA-N -1 0 339.355 2.789 50 0 EFAARM Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)c3cccs3)CC2)cn1 ZINC000072408743 203216186 /nfs/dbraw/zinc/21/61/86/203216186.db2.gz ZQFWKSYZHAMZGO-UHFFFAOYSA-N -1 0 346.408 2.590 50 0 EFAARM Cc1ccc(OC2(C(=O)[O-])CCN(c3ccc(C)nn3)CC2)cc1 ZINC000072410762 203217969 /nfs/dbraw/zinc/21/79/69/203217969.db2.gz IOPMZYJKNFVEHJ-UHFFFAOYSA-N -1 0 327.384 2.596 50 0 EFAARM Cc1csc(CN2CCC(C(=O)[O-])(n3ccc(C(C)C)n3)CC2)n1 ZINC000072425617 203221787 /nfs/dbraw/zinc/22/17/87/203221787.db2.gz MPTRZGHIHIFRLP-UHFFFAOYSA-N -1 0 348.472 2.847 50 0 EFAARM CC[C@H](Nc1nccc(-c2cc(C(=O)[O-])ccn2)n1)c1ccnn1C ZINC000072428559 203223119 /nfs/dbraw/zinc/22/31/19/203223119.db2.gz BPQYEGCCYHUNEP-LBPRGKRZSA-N -1 0 338.371 2.534 50 0 EFAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cccc2cccnc21 ZINC000243956935 304153257 /nfs/dbraw/zinc/15/32/57/304153257.db2.gz CEOPZGKPZIXKGB-KRWDZBQOSA-N -1 0 332.359 2.887 50 0 EFAARM CC(C)(CN1C[C@@](C)(Cc2ccc3c(c2)OCO3)CCC1=O)C(=O)[O-] ZINC000091664585 203645331 /nfs/dbraw/zinc/64/53/31/203645331.db2.gz GSDXDDUUBDZJMY-LJQANCHMSA-N -1 0 347.411 2.697 50 0 EFAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)NC2CCCCC2)C1 ZINC000091694694 203646414 /nfs/dbraw/zinc/64/64/14/203646414.db2.gz GIKCQWMEWVBXMV-QGZVFWFLSA-N -1 0 326.437 2.622 50 0 EFAARM COc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(C)c1 ZINC000091713456 203647940 /nfs/dbraw/zinc/64/79/40/203647940.db2.gz CEZGXEYXIHGZMZ-ZWKOTPCHSA-N -1 0 339.391 2.944 50 0 EFAARM CN(Cc1ccon1)[C@@H](C(=O)[O-])c1ccccc1OC(F)(F)F ZINC000095374848 203722312 /nfs/dbraw/zinc/72/23/12/203722312.db2.gz FFBJQKWTPRJNCR-GFCCVEGCSA-N -1 0 330.262 2.831 50 0 EFAARM O=c1c2[n-][nH]n(-c3ccc(Cl)cc3)c=2c(=O)n1-c1ccccc1 ZINC000101277643 204003344 /nfs/dbraw/zinc/00/33/44/204003344.db2.gz YAAZYUJFIMZYLP-ZIAGYGMSSA-N -1 0 326.743 2.838 50 0 EFAARM O=C([O-])C1=Nc2nc(-c3ccccc3)nn2[C@H](c2ccc(O)cc2)C1 ZINC000101571961 204011147 /nfs/dbraw/zinc/01/11/47/204011147.db2.gz GDVZHQZCOBGMOP-HNNXBMFYSA-N -1 0 334.335 2.634 50 0 EFAARM CSc1ncc2c([O-])c(C(=O)Nc3ccc(F)cc3)sc2n1 ZINC000102053773 204030663 /nfs/dbraw/zinc/03/06/63/204030663.db2.gz OYUXQVFNEYTRHM-NSHDSACASA-N -1 0 335.385 2.633 50 0 EFAARM COc1ccc(-c2c(C)[n-]n3c2nc2c(c3=O)CCC2)cc1OC ZINC000102695611 204045480 /nfs/dbraw/zinc/04/54/80/204045480.db2.gz DETGYUDSLQBDOL-UHFFFAOYSA-N -1 0 325.368 2.916 50 0 EFAARM Cc1cc(C)nc([N-]c2nc(CC(=O)Nc3cccnc3)cs2)n1 ZINC000049029493 204363145 /nfs/dbraw/zinc/36/31/45/204363145.db2.gz IAERTYVEZVCIQP-UHFFFAOYSA-N -1 0 340.412 2.870 50 0 EFAARM CC(C)OC(=O)c1ccsc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000017070867 211951460 /nfs/dbraw/zinc/95/14/60/211951460.db2.gz JITIJKRLSWQMRN-GHMZBOCLSA-N -1 0 337.397 2.919 50 0 EFAARM O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000000074538 206211412 /nfs/dbraw/zinc/21/14/12/206211412.db2.gz LCDSHECNPHRZQI-UHFFFAOYSA-N -1 0 329.736 2.978 50 0 EFAARM 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/nfs/dbraw/zinc/40/16/88/472401688.db2.gz OPPLYKQBWUAXSG-UHFFFAOYSA-N -1 0 336.207 2.663 50 0 EFAARM O=C([O-])c1cc(OCC2CCC2)cc(C(=O)NCc2ccncc2)c1 ZINC000097745050 472507088 /nfs/dbraw/zinc/50/70/88/472507088.db2.gz XAUPMQMBHQMEDL-UHFFFAOYSA-N -1 0 340.379 2.889 50 0 EFAARM COc1cccc(C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)[O-])c1 ZINC000072233765 472636171 /nfs/dbraw/zinc/63/61/71/472636171.db2.gz SVLAJBNRVFAWNG-DZGCQCFKSA-N -1 0 335.400 2.948 50 0 EFAARM Cc1noc(C)c1S(=O)(=O)N[C@H](C)c1ccccc1-n1cccn1 ZINC000131899018 472700803 /nfs/dbraw/zinc/70/08/03/472700803.db2.gz RJSWJHICCGVAHK-LLVKDONJSA-N -1 0 346.412 2.517 50 0 EFAARM CCC[C@]1(C(=O)[O-])CCCN(C(=O)CCn2nc(C)c(C)c2C)C1 ZINC000091270552 472750843 /nfs/dbraw/zinc/75/08/43/472750843.db2.gz XNYHKHZCFKFJJM-SFHVURJKSA-N -1 0 335.448 2.692 50 0 EFAARM Cn1ccc2c1cccc2C(=O)N1C[C@@H](c2cccnc2)[C@H](C(=O)[O-])C1 ZINC000091325409 472757627 /nfs/dbraw/zinc/75/76/27/472757627.db2.gz WMIUJUFDBKNKFQ-DLBZAZTESA-N -1 0 349.390 2.514 50 0 EFAARM COc1cccc([C@@H]2CN(C(=O)CC3CCCC3)C[C@H]2C(=O)[O-])c1 ZINC000091651253 472790721 /nfs/dbraw/zinc/79/07/21/472790721.db2.gz TYUBGXKSSXVQOJ-DLBZAZTESA-N -1 0 331.412 2.902 50 0 EFAARM CN(C)c1ccc(CC(=O)N2CCC[C@](CC3CC3)(C(=O)[O-])C2)cc1 ZINC000091726026 472798466 /nfs/dbraw/zinc/79/84/66/472798466.db2.gz CXLZFXZZRUTMKH-HXUWFJFHSA-N -1 0 344.455 2.789 50 0 EFAARM Cc1cc(NCCS(=O)(=O)CC(C)C)nc(-c2ccccc2[O-])n1 ZINC000091906529 472825746 /nfs/dbraw/zinc/82/57/46/472825746.db2.gz QLVQUJYOVMRXNH-UHFFFAOYSA-N -1 0 349.456 2.640 50 0 EFAARM COCC[C@@]1(C(=O)[O-])CCCN(c2ccc(C(F)(F)F)cn2)C1 ZINC000091943351 472830077 /nfs/dbraw/zinc/83/00/77/472830077.db2.gz NHHBATYMFYFCOQ-AWEZNQCLSA-N -1 0 332.322 2.808 50 0 EFAARM COC(=O)C[C@H]1CCN(c2cc(C)nc(-c3ccccc3[O-])n2)C1 ZINC000091998119 472839840 /nfs/dbraw/zinc/83/98/40/472839840.db2.gz NHRMQFLKOBNFNO-CYBMUJFWSA-N -1 0 327.384 2.547 50 0 EFAARM Cc1ccc(O)c(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](C(=O)[O-])C2)c1 ZINC000092047052 472847622 /nfs/dbraw/zinc/84/76/22/472847622.db2.gz DKVAODKARXWFJN-JKSUJKDBSA-N -1 0 343.354 2.780 50 0 EFAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)c2cccc(OC)c2C)C1 ZINC000092080561 472857393 /nfs/dbraw/zinc/85/73/93/472857393.db2.gz SQMIIARHXLDXTE-LJQANCHMSA-N -1 0 349.427 2.737 50 0 EFAARM O=C([O-])c1cn(CC2(CO)CCC2)cc(Oc2ccccc2)c1=O ZINC000065426720 472939382 /nfs/dbraw/zinc/93/93/82/472939382.db2.gz RTSJXCFHYGAQIA-UHFFFAOYSA-N -1 0 329.352 2.501 50 0 EFAARM COc1ccc(-c2noc(-c3c(=O)[nH]c4ccccc4c3[O-])n2)cc1 ZINC000049411679 472948733 /nfs/dbraw/zinc/94/87/33/472948733.db2.gz DAGZIGJWHAGDQT-UHFFFAOYSA-N -1 0 335.319 2.959 50 0 EFAARM CCOc1ccccc1NC(=O)c1c([O-])c2sccc2n(C)c1=O ZINC000049409482 472949146 /nfs/dbraw/zinc/94/91/46/472949146.db2.gz RUHBKSYGYPVJCZ-UHFFFAOYSA-N -1 0 344.392 2.957 50 0 EFAARM O=C([O-])c1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)cc1 ZINC000049551644 472953160 /nfs/dbraw/zinc/95/31/60/472953160.db2.gz DGWOGCWQEQADLI-CQSZACIVSA-N -1 0 342.376 2.826 50 0 EFAARM CNC(=O)c1ccc([C@@H]2CCCN2Cc2ncccc2C(=O)[O-])s1 ZINC000065490038 472954102 /nfs/dbraw/zinc/95/41/02/472954102.db2.gz XWKPFCADUJDFTN-ZDUSSCGKSA-N -1 0 345.424 2.538 50 0 EFAARM CN(C)c1ncc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1 ZINC000075162049 473143577 /nfs/dbraw/zinc/14/35/77/473143577.db2.gz JVYPVWBGDGODIN-UHFFFAOYSA-N -1 0 347.227 2.650 50 0 EFAARM O=C([O-])c1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1 ZINC000095095480 473189906 /nfs/dbraw/zinc/18/99/06/473189906.db2.gz QJUOJFXUVDEGLT-UHFFFAOYSA-N -1 0 325.368 2.739 50 0 EFAARM CSc1ccc([C@H](C(=O)[O-])N(C)Cc2noc(C3CC3)n2)cc1 ZINC000095360595 473190430 /nfs/dbraw/zinc/19/04/30/473190430.db2.gz GAQNWZPOSKURNN-CQSZACIVSA-N -1 0 333.413 2.927 50 0 EFAARM CCCc1cc(C(=O)N2CCc3ccccc3[C@H]2CC(=O)[O-])[nH]n1 ZINC000095371902 473191858 /nfs/dbraw/zinc/19/18/58/473191858.db2.gz DTUPVDXNTVJUFT-MRXNPFEDSA-N -1 0 327.384 2.577 50 0 EFAARM O=C([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cccc(C(=O)[O-])n3)C2)cc1 ZINC000095363601 473192781 /nfs/dbraw/zinc/19/27/81/473192781.db2.gz UBTZEBAZJVCGGE-OAHLLOKOSA-N -1 0 340.379 2.858 50 0 EFAARM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)CCc1ccccn1 ZINC000194940116 473980107 /nfs/dbraw/zinc/98/01/07/473980107.db2.gz MSUNNGSPVYTCPD-QGZVFWFLSA-N -1 0 326.396 2.607 50 0 EFAARM Cc1ccc2[nH]c(CCC(=O)NC3(C(=O)[O-])CCCC3)nc2c1C ZINC000244884271 474568737 /nfs/dbraw/zinc/56/87/37/474568737.db2.gz YIRVENICFLMQLK-UHFFFAOYSA-N -1 0 329.400 2.626 50 0 EFAARM O=C(Cn1ccc2ccc(F)cc21)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000253393421 474733170 /nfs/dbraw/zinc/73/31/70/474733170.db2.gz OAZBJWHVPCKLEU-MQMHXKEQSA-N -1 0 332.375 2.788 50 0 EFAARM CC(=O)Nc1cc(C(=O)[O-])cc2ncn(Cc3ccc(F)cc3)c21 ZINC000299764509 476152656 /nfs/dbraw/zinc/15/26/56/476152656.db2.gz IJMIGFZEDLMQQA-UHFFFAOYSA-N -1 0 327.315 2.880 50 0 EFAARM CC(C)(C)n1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC000426573020 477722502 /nfs/dbraw/zinc/72/25/02/477722502.db2.gz GPHWCSDQQMIRCJ-MRXNPFEDSA-N -1 0 326.396 2.895 50 0 EFAARM CC(C)[C@H](CC(=O)[O-])NC(=O)N(C)Cc1cccc2cnccc21 ZINC000426678138 477737339 /nfs/dbraw/zinc/73/73/39/477737339.db2.gz QIESEEHECAQJAR-INIZCTEOSA-N -1 0 329.400 2.876 50 0 EFAARM Cc1cccc2[nH]c(CN(C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])nc21 ZINC000426701333 477740430 /nfs/dbraw/zinc/74/04/30/477740430.db2.gz BHVIEYKXMRFFNT-ZDUSSCGKSA-N -1 0 332.404 2.512 50 0 EFAARM CC(C)N(C(=O)c1ccccc1-c1cnn(CC(=O)[O-])c1)C(C)C ZINC000534592638 478162458 /nfs/dbraw/zinc/16/24/58/478162458.db2.gz ZURQWQYBGCORNP-UHFFFAOYSA-N -1 0 329.400 2.894 50 0 EFAARM CC(C)n1ccnc1CN1Cc2[nH]c3ccccc3c2C[C@H]1C(=O)[O-] ZINC000534676263 478170317 /nfs/dbraw/zinc/17/03/17/478170317.db2.gz MWNITOPPZDXLIM-KRWDZBQOSA-N -1 0 338.411 2.957 50 0 EFAARM CC(C)CC(=O)[N-]S(=O)(=O)c1cnc(Cl)c(C(F)(F)F)c1 ZINC000585135825 479295040 /nfs/dbraw/zinc/29/50/40/479295040.db2.gz DNCLRUGEHJENSE-UHFFFAOYSA-N -1 0 344.742 2.605 50 0 EFAARM O=C([O-])[C@@H](Cc1cccc2ccccc21)NC(=O)CC1CCOCC1 ZINC000585134190 479295614 /nfs/dbraw/zinc/29/56/14/479295614.db2.gz HEPQJVNDLBDLQJ-GOSISDBHSA-N -1 0 341.407 2.768 50 0 EFAARM C[C@@H](C(F)(F)F)S(=O)(=O)[N-]C(=O)CCSc1ccccc1 ZINC000585136135 479296174 /nfs/dbraw/zinc/29/61/74/479296174.db2.gz SEHGLTQIRMGUJH-VIFPVBQESA-N -1 0 341.376 2.566 50 0 EFAARM CC(C)(CC12CC3CC(CC(C3)C1)C2)NC(=O)NCc1n[nH]c(=O)[n-]1 ZINC000426423147 534993934 /nfs/dbraw/zinc/99/39/34/534993934.db2.gz XEFRVDCPVWQOSG-UHFFFAOYSA-N -1 0 347.463 2.695 50 0 EFAARM C[C@H](Oc1ccc(CN2CCOC(C)(C)C2)cc1Cl)C(=O)[O-] ZINC000670469558 547495134 /nfs/dbraw/zinc/49/51/34/547495134.db2.gz YJGYBTGJTPBOIT-NSHDSACASA-N -1 0 327.808 2.803 50 0 EFAARM O=C(OCC1c2ccccc2-c2ccccc21)N1CC(=O)C=C([O-])C1 ZINC000725243821 550198228 /nfs/dbraw/zinc/19/82/28/550198228.db2.gz JOOVVUBJQVRGRN-UHFFFAOYSA-N -1 0 335.359 2.779 50 0 EFAARM C[C@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1ccccc1O)c3[O-] ZINC000199908575 564124813 /nfs/dbraw/zinc/12/48/13/564124813.db2.gz UOIZSJRNEWTNKQ-JTQLQIEISA-N -1 0 336.347 2.782 50 0 EFAARM O=C([O-])c1cc(Br)c(I)cc1F ZINC000575438577 1251360768 /nfs/dbraw/zinc/36/07/68/1251360768.db2.gz ROZPTLCRLSXZDA-UHFFFAOYSA-N -1 0 344.905 2.891 50 0 EFAARM Cc1cccc(-c2noc(CN(C)Cc3ncccc3C(=O)[O-])n2)c1 ZINC000065435529 1271881994 /nfs/dbraw/zinc/88/19/94/1271881994.db2.gz LGNMTYRYSMFCGX-UHFFFAOYSA-N -1 0 338.367 2.770 50 0 EFAARM CC[C@H](C)[C@H](NC(=O)CCn1ccc2cc(OC)ccc21)C(=O)[O-] ZINC000043746976 1272064010 /nfs/dbraw/zinc/06/40/10/1272064010.db2.gz SXNVCHDJRLCHSL-SJCJKPOMSA-N -1 0 332.400 2.656 50 0 EFAARM O=C([O-])Cc1cc(Br)ccc1I ZINC000149475502 1287389031 /nfs/dbraw/zinc/38/90/31/1287389031.db2.gz HRLIMSANESJAIA-UHFFFAOYSA-N -1 0 340.942 2.681 50 0 EFAARM Cc1oc(-c2cccc(F)c2)nc1CN1CCC[C@H]1c1n[nH]c(=O)[n-]1 ZINC000019340509 1314425349 /nfs/dbraw/zinc/42/53/49/1314425349.db2.gz WKWOMMQEUXVXTN-AWEZNQCLSA-N -1 0 343.362 2.950 50 0 EFAARM COCCN(Cc1nccs1)[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000055052735 1314825969 /nfs/dbraw/zinc/82/59/69/1314825969.db2.gz WWBPVJIRUOTKJG-OAHLLOKOSA-N -1 0 338.404 2.865 50 0 EFAARM Cn1c2ccc(C(=O)[O-])cc2nc1NCc1[nH]nc2c1CCCCC2 ZINC001506430269 1405767256 /nfs/dbraw/zinc/76/72/56/1405767256.db2.gz AHCOUGHWZOLWDW-UHFFFAOYSA-N -1 0 339.399 2.876 50 0 EFAARM O=C([O-])c1cccnc1N1CCC2(CC1)OCCc1sccc12 ZINC001704311728 1417903988 /nfs/dbraw/zinc/90/39/88/1417903988.db2.gz AQTQSMRZUKGPIF-UHFFFAOYSA-N -1 0 330.409 2.910 50 0 EFAARM O=C([O-])c1c(N2CCC[C@H](CO)C2)noc1-c1ccc(Cl)cc1 ZINC001704312486 1417904904 /nfs/dbraw/zinc/90/49/04/1417904904.db2.gz DHWXCAYYPVVKIY-JTQLQIEISA-N -1 0 336.775 2.902 50 0 EFAARM N#Cc1ccccc1-c1ccc(-c2nccn2CCCc2nnn[n-]2)o1 ZINC000072134636 1423660136 /nfs/dbraw/zinc/66/01/36/1423660136.db2.gz YMECHJXLJPTREV-UHFFFAOYSA-N -1 0 345.366 2.828 50 0 EFAARM Cc1ccccc1-c1cc(C(=O)Nc2nnn[n-]2)c2ccccc2n1 ZINC000006504857 1423966823 /nfs/dbraw/zinc/96/68/23/1423966823.db2.gz DIJLNUZQAWEAOS-UHFFFAOYSA-N -1 0 330.351 2.976 50 0 EFAARM CCc1nc(-c2c(-c3ccccc3)ncn2CCc2nn[n-]n2)c(C)[nH]1 ZINC000067921098 1424113120 /nfs/dbraw/zinc/11/31/20/1424113120.db2.gz IEHSJONXPSTENY-UHFFFAOYSA-N -1 0 348.414 2.567 50 0 EFAARM CCc1ccc(-c2nccn2Cc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000077506088 1424736156 /nfs/dbraw/zinc/73/61/56/1424736156.db2.gz KHEGWMUAOAQEDO-UHFFFAOYSA-N -1 0 331.383 2.736 50 0 EFAARM Cc1ccc([C@H](C(=O)[O-])N(C)Cc2ccccn2)c(-n2cccn2)c1 ZINC000095368380 717487194 /nfs/dbraw/zinc/48/71/94/717487194.db2.gz RVZCNHLYIUQKPQ-GOSISDBHSA-N -1 0 336.395 2.833 50 0 EFAARM CC(=O)c1[nH]c(C)c(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)c1C ZINC000952973012 939809739 /nfs/dbraw/zinc/80/97/39/939809739.db2.gz RADBRBNBUVOKDY-MRXNPFEDSA-N -1 0 328.368 2.698 50 0 EFAARM C=CCn1c(=O)c(C(=O)Nc2nccs2)c([O-])c2ccccc21 ZINC000006492939 1098092126 /nfs/dbraw/zinc/09/21/26/1098092126.db2.gz OYMJNRJDZLXYOR-UHFFFAOYSA-N -1 0 327.365 2.602 50 0 EFAARM CCCn1ncc(-c2nc(Cc3cccs3)nn2CC(=O)[O-])c1C ZINC000097766766 219055300 /nfs/dbraw/zinc/05/53/00/219055300.db2.gz CPXWQKMFEMDWPL-UHFFFAOYSA-N -1 0 345.428 2.597 50 0 EFAARM Cc1c(-c2nc3cc(C(=O)[O-])ccc3[nH]2)c(=O)n(-c2ccccc2)n1C ZINC000055307004 214304092 /nfs/dbraw/zinc/30/40/92/214304092.db2.gz TVRCJUNQPJVWPP-UHFFFAOYSA-N -1 0 348.362 2.726 50 0 EFAARM COCCN(Cc1ccsc1)C(=O)c1cccc(NCC(=O)[O-])c1 ZINC000055359990 214311895 /nfs/dbraw/zinc/31/18/95/214311895.db2.gz BFYGAPSSHHVQMI-UHFFFAOYSA-N -1 0 348.424 2.533 50 0 EFAARM CCn1c(SCC(=O)[O-])nnc1-c1ccc(Br)cc1 ZINC000004648150 210237546 /nfs/dbraw/zinc/23/75/46/210237546.db2.gz HDDAIBVQHDGADT-UHFFFAOYSA-N -1 0 342.218 2.904 50 0 EFAARM COC(=O)c1ccccc1NC(=O)[C@@H]1CC(C)=C[C@H](C)[C@H]1C(=O)[O-] ZINC000004599685 210230868 /nfs/dbraw/zinc/23/08/68/210230868.db2.gz VCPDVWFFARSXHH-NJZAAPMLSA-N -1 0 331.368 2.715 50 0 EFAARM Cc1nc2[n-]c(C(F)(F)F)nn2c(=O)c1Cc1cccc(Cl)c1 ZINC000100131673 219092572 /nfs/dbraw/zinc/09/25/72/219092572.db2.gz IPTMGHQYJVNYIL-UHFFFAOYSA-N -1 0 342.708 2.989 50 0 EFAARM CSc1nsc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1 ZINC000004502730 210206876 /nfs/dbraw/zinc/20/68/76/210206876.db2.gz CZYDVRZAVPTBFT-UHFFFAOYSA-N -1 0 341.439 2.689 50 0 EFAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2OC)c1=O ZINC000100453912 219099914 /nfs/dbraw/zinc/09/99/14/219099914.db2.gz NQLWUPNWOLNOIY-UHFFFAOYSA-N -1 0 338.363 2.988 50 0 EFAARM CC(C)Cn1c(=O)c(C(=O)NCc2ccco2)c([O-])c2ccccc21 ZINC000100461327 219099960 /nfs/dbraw/zinc/09/99/60/219099960.db2.gz GNUHMRIJNMQXPS-UHFFFAOYSA-N -1 0 340.379 2.886 50 0 EFAARM Cc1ccccc1Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000004483470 210200339 /nfs/dbraw/zinc/20/03/39/210200339.db2.gz BUDCIVYQXQAJGU-CVEARBPZSA-N -1 0 338.342 2.628 50 0 EFAARM CCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2N)c1=O ZINC000100498573 219100558 /nfs/dbraw/zinc/10/05/58/219100558.db2.gz OAEMXEVJLKVPSS-UHFFFAOYSA-N -1 0 337.379 2.952 50 0 EFAARM O=C(NCCc1ccccc1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100613654 219103028 /nfs/dbraw/zinc/10/30/28/219103028.db2.gz XPZXKQQHXHQDLG-UHFFFAOYSA-N -1 0 348.402 2.626 50 0 EFAARM Cc1nc2[n-]c(C(F)(F)F)nn2c(=O)c1Cc1ccccc1Cl ZINC000100650228 219103724 /nfs/dbraw/zinc/10/37/24/219103724.db2.gz OWZRCIABMMBIMF-UHFFFAOYSA-N -1 0 342.708 2.989 50 0 EFAARM COc1ccccc1NC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100662958 219104000 /nfs/dbraw/zinc/10/40/00/219104000.db2.gz JMIFPGMSPHDZPI-UHFFFAOYSA-N -1 0 336.347 2.524 50 0 biogenic EFAARM COc1ccc(Cl)cc1C(=O)Nc1cnn(CCCC(=O)[O-])c1 ZINC000004408055 210189789 /nfs/dbraw/zinc/18/97/89/210189789.db2.gz IRFCMAFGPAKGOE-UHFFFAOYSA-N -1 0 337.763 2.662 50 0 EFAARM CCn1c2ccccc2c([O-])c(C(=O)NCc2ccc(C)cc2)c1=O ZINC000100812094 219108174 /nfs/dbraw/zinc/10/81/74/219108174.db2.gz ZPKIMHITRMXBFM-UHFFFAOYSA-N -1 0 336.391 2.965 50 0 EFAARM Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(C(=O)[O-])c(O)c1 ZINC000004410640 210188813 /nfs/dbraw/zinc/18/88/13/210188813.db2.gz UOIWGZGFNDPJOT-UHFFFAOYSA-N -1 0 336.347 2.920 50 0 EFAARM CCOC(=O)c1c(NC(=O)/C=C\C(=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000101128101 219117050 /nfs/dbraw/zinc/11/70/50/219117050.db2.gz LEIWMYCZTYXTJQ-ATJFRQLMSA-N -1 0 337.397 2.629 50 0 EFAARM O=c1c2[n-][nH]n(Cc3ccccc3Cl)c=2c(=O)n1-c1ccccc1 ZINC000101167600 219117992 /nfs/dbraw/zinc/11/79/92/219117992.db2.gz NFVPDEMHSSLIQV-LSDHHAIUSA-N -1 0 340.770 2.833 50 0 EFAARM O=c1c2[n-][nH]n(Cc3ccccc3)c=2c(=O)n1-c1ccc(Cl)cc1 ZINC000101167123 219118057 /nfs/dbraw/zinc/11/80/57/219118057.db2.gz GBGSFOLWOKWITG-HUUCEWRRSA-N -1 0 340.770 2.833 50 0 EFAARM O=c1c2[n-][nH]n(Cc3ccccc3)c=2c(=O)n1-c1ccccc1Cl ZINC000101168643 219118121 /nfs/dbraw/zinc/11/81/21/219118121.db2.gz RNZUMHZAKWZDKT-HUUCEWRRSA-N -1 0 340.770 2.833 50 0 EFAARM Cc1nnc(SCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)[n-]c1=O ZINC000101141705 219118156 /nfs/dbraw/zinc/11/81/56/219118156.db2.gz WRFZJVDMSKNDAC-WCFLWFBJSA-N -1 0 339.461 2.569 50 0 EFAARM COc1ccc(C(=O)c2c(C)[n-]n(-c3ccccc3)c2=O)cc1OC ZINC000101348329 219123251 /nfs/dbraw/zinc/12/32/51/219123251.db2.gz WSWTXNNLSVTNCN-KRWDZBQOSA-N -1 0 338.363 2.925 50 0 EFAARM Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1Cc1ccccc1Cl ZINC000101449729 219127441 /nfs/dbraw/zinc/12/74/41/219127441.db2.gz LEYKJPVCLVVSKF-LBPRGKRZSA-N -1 0 340.832 2.501 50 0 EFAARM CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000004241746 210150134 /nfs/dbraw/zinc/15/01/34/210150134.db2.gz RBVUICOGSFFJQN-CQSZACIVSA-N -1 0 338.379 2.504 50 0 EFAARM CN(C)c1ccc2c(c1)NC(=O)C[C@@H]2c1ccccc1OCC(=O)[O-] ZINC000065435240 214908521 /nfs/dbraw/zinc/90/85/21/214908521.db2.gz VZTJGIPKNZRLMN-HNNXBMFYSA-N -1 0 340.379 2.690 50 0 EFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)O[C@@H]2CCOc3ccccc32)cc1 ZINC000004110265 210121766 /nfs/dbraw/zinc/12/17/66/210121766.db2.gz RYQDCXBFQJDPFZ-MRXNPFEDSA-N -1 0 347.392 2.934 50 0 EFAARM COc1ccc(C[C@@H](CC(=O)[O-])C(=O)Nc2ccc(OC)cc2)cc1 ZINC000004101462 210121249 /nfs/dbraw/zinc/12/12/49/210121249.db2.gz BXTXDEWRONTIFA-AWEZNQCLSA-N -1 0 343.379 2.976 50 0 EFAARM O=C([O-])C[C@H](NC(=O)c1ccccc1F)c1ccc2c(c1)OCO2 ZINC000003856198 210080646 /nfs/dbraw/zinc/08/06/46/210080646.db2.gz CKYPDKIHEDSKEA-ZDUSSCGKSA-N -1 0 331.299 2.500 50 0 EFAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)COc2ccccc2)cc1 ZINC000003626913 210069444 /nfs/dbraw/zinc/06/94/44/210069444.db2.gz HGYLESYFPTZSTL-QGZVFWFLSA-N -1 0 343.379 2.796 50 0 EFAARM CCOc1ccc(-n2c(CCC(=O)[O-])nc3ccccc3c2=O)cc1 ZINC000003319701 210005487 /nfs/dbraw/zinc/00/54/87/210005487.db2.gz UPTIFQFIELBBOF-UHFFFAOYSA-N -1 0 338.363 2.802 50 0 EFAARM COc1ccc(-n2nnc(C(=O)[O-])c2-c2ccncc2)cc1Cl ZINC000067323661 215134121 /nfs/dbraw/zinc/13/41/21/215134121.db2.gz CXCCPXOOIBOMRI-UHFFFAOYSA-N -1 0 330.731 2.690 50 0 EFAARM CC(=O)N[C@@H](C)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000067491209 215155083 /nfs/dbraw/zinc/15/50/83/215155083.db2.gz YQAFLJOLKSMDEQ-NSHDSACASA-N -1 0 329.400 2.703 50 0 EFAARM Cc1cc2c(C)cc(=O)[nH]c2c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000067621066 215168925 /nfs/dbraw/zinc/16/89/25/215168925.db2.gz AKCJDFXHECQWET-UHFFFAOYSA-N -1 0 328.393 2.946 50 0 EFAARM COc1cc(OC)c(-c2nc3cc(C(=O)[O-])ccc3[nH]2)c(OC)c1 ZINC000067674100 215178556 /nfs/dbraw/zinc/17/85/56/215178556.db2.gz LZKGQENQYWBAGJ-UHFFFAOYSA-N -1 0 328.324 2.954 50 0 EFAARM O=C(NCc1cccnc1Oc1ccc(F)c(F)c1)c1cc(=O)[nH][n-]1 ZINC000067689086 215185745 /nfs/dbraw/zinc/18/57/45/215185745.db2.gz OLFCMMGYKVOHSY-UHFFFAOYSA-N -1 0 346.293 2.511 50 0 EFAARM O=C([O-])c1cn(C[C@H]2CCCN(c3nc4ccccc4s3)C2)nn1 ZINC000067695318 215188241 /nfs/dbraw/zinc/18/82/41/215188241.db2.gz OCDIHYSRHFPMAZ-NSHDSACASA-N -1 0 343.412 2.503 50 0 EFAARM CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000067800785 215215302 /nfs/dbraw/zinc/21/53/02/215215302.db2.gz AKZYSGKFJKEGCW-UHFFFAOYSA-N -1 0 348.399 2.514 50 0 EFAARM COc1ccc(-n2ccnc2-c2ccc(C(=O)[O-])s2)cc1CO ZINC000067983136 215266639 /nfs/dbraw/zinc/26/66/39/215266639.db2.gz RJIXUZIITFDAJT-UHFFFAOYSA-N -1 0 330.365 2.800 50 0 EFAARM C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000067982577 215267091 /nfs/dbraw/zinc/26/70/91/215267091.db2.gz VKFKLJPIJINWJH-JTQLQIEISA-N -1 0 337.272 2.614 50 0 EFAARM CCn1ncc(-c2cc(C(F)(F)F)n3nc(C(=O)[O-])cc3n2)c1C ZINC000002778293 209909069 /nfs/dbraw/zinc/90/90/69/209909069.db2.gz AUFZCLVJFFMRNZ-UHFFFAOYSA-N -1 0 339.277 2.638 50 0 EFAARM CCCCc1c([O-])n(CCc2ccc(OC)c(OC)c2)c(=O)[nH]c1=O ZINC000002594225 209871711 /nfs/dbraw/zinc/87/17/11/209871711.db2.gz WYQXQLRYCSHUJV-CYBMUJFWSA-N -1 0 348.399 2.971 50 0 EFAARM COc1ncccc1C(=O)NC[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000002027211 209812865 /nfs/dbraw/zinc/81/28/65/209812865.db2.gz IQXOYQQCYITLNZ-LBPRGKRZSA-N -1 0 348.786 2.732 50 0 EFAARM COc1ccc(Cl)cc1-n1nnc(C(=O)[O-])c1-c1cccnc1 ZINC000040478848 213314271 /nfs/dbraw/zinc/31/42/71/213314271.db2.gz YMSNIEHRRYBHNL-UHFFFAOYSA-N -1 0 330.731 2.690 50 0 EFAARM O=C([O-])C1(Oc2cccc(F)c2)CCN(C(=O)[C@H]2CC23CCC3)CC1 ZINC000072427033 304034626 /nfs/dbraw/zinc/03/46/26/304034626.db2.gz XQGWRPNICZOHGS-OAHLLOKOSA-N -1 0 347.386 2.841 50 0 EFAARM O=C([O-])CNC(=O)Cc1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000040287391 213288830 /nfs/dbraw/zinc/28/88/30/213288830.db2.gz QOVYNRAXBVFKFV-UHFFFAOYSA-N -1 0 345.207 2.860 50 0 EFAARM COc1ccc(NCc2nn(C/C=C/c3ccccc3)c(=O)[n-]2)cc1 ZINC000040268031 213286371 /nfs/dbraw/zinc/28/63/71/213286371.db2.gz VLMQWXLJCTUARM-VMPITWQZSA-N -1 0 336.395 2.906 50 0 EFAARM CC(=O)c1cn(CCC(=O)N2CCC(C(=O)[O-])CC2)c2ccccc12 ZINC000040266362 213285144 /nfs/dbraw/zinc/28/51/44/213285144.db2.gz QGDLZRVPHFYPBZ-UHFFFAOYSA-N -1 0 342.395 2.557 50 0 EFAARM Cc1cccc(C)c1N(Cc1ccc(C(=O)[O-])cc1)S(C)(=O)=O ZINC000039315707 213233871 /nfs/dbraw/zinc/23/38/71/213233871.db2.gz TZGZKZITLHCATM-UHFFFAOYSA-N -1 0 333.409 2.968 50 0 EFAARM COc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(OC)cc1Cl ZINC000000475044 209624695 /nfs/dbraw/zinc/62/46/95/209624695.db2.gz SCRJBRSRHBQGTB-ZJUUUORDSA-N -1 0 339.775 2.963 50 0 EFAARM Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])c1C ZINC000036293954 213082483 /nfs/dbraw/zinc/08/24/83/213082483.db2.gz HEPWIDOXUHHEEB-CQSZACIVSA-N -1 0 327.446 2.698 50 0 EFAARM O=C([O-])C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000000234238 304074468 /nfs/dbraw/zinc/07/44/68/304074468.db2.gz YUOIZOQWJILKLB-CQSZACIVSA-N -1 0 326.377 2.668 50 0 EFAARM COC(=O)c1ccc(OC(C)C)c(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)c1 ZINC000071284686 215752711 /nfs/dbraw/zinc/75/27/11/215752711.db2.gz ZYZCGIJLLZMARC-KBPBESRZSA-N -1 0 349.383 2.556 50 0 EFAARM O=C([O-])c1ccccc1CC(=O)Nc1ccc(Cl)c2nonc21 ZINC000071285511 215753734 /nfs/dbraw/zinc/75/37/34/215753734.db2.gz GLWGDQTWRKRGPV-UHFFFAOYSA-N -1 0 331.715 2.756 50 0 EFAARM Cc1c(C(=O)[O-])cnn1-c1ccc(-c2nc(C(C)(C)C)no2)cn1 ZINC000071289352 215755407 /nfs/dbraw/zinc/75/54/07/215755407.db2.gz CMRJMQQJFANUHN-UHFFFAOYSA-N -1 0 327.344 2.621 50 0 EFAARM O=C([O-])[C@H]1C[C@@H]2C(c3cccnc3)=CC[C@H]1N2C(=O)c1ccccc1 ZINC000035287530 213018239 /nfs/dbraw/zinc/01/82/39/213018239.db2.gz BSSDKXJANAMJIC-RCCFBDPRSA-N -1 0 334.375 2.853 50 0 EFAARM O=C([O-])c1cccc(CC2CCN(C(=O)Cc3cccnc3)CC2)c1 ZINC000072152910 216040583 /nfs/dbraw/zinc/04/05/83/216040583.db2.gz KBGPKWFYRAPAAY-UHFFFAOYSA-N -1 0 338.407 2.804 50 0 EFAARM O=c1[n-]c(CCn2ccnc2-c2ccc3c(c2)Cc2ccccc2-3)n[nH]1 ZINC000072164890 216054469 /nfs/dbraw/zinc/05/44/69/216054469.db2.gz HXKAOCBEESYOJX-UHFFFAOYSA-N -1 0 343.390 2.775 50 0 EFAARM O=C([O-])Cc1ccc(Br)cc1I ZINC000096235256 304088875 /nfs/dbraw/zinc/08/88/75/304088875.db2.gz CXFLYYYYDDDXSG-UHFFFAOYSA-N -1 0 340.942 2.681 50 0 EFAARM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)NCCc1ccccc1 ZINC000000406544 209571476 /nfs/dbraw/zinc/57/14/76/209571476.db2.gz SHVZBUQJPBRKFB-UHFFFAOYSA-N -1 0 338.816 2.571 50 0 EFAARM O=C([O-])CCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000000386864 209564844 /nfs/dbraw/zinc/56/48/44/209564844.db2.gz XOPLHWKVVLFFTG-UHFFFAOYSA-N -1 0 330.315 2.881 50 0 EFAARM COC(=O)c1ccccc1NC(=O)[C@H]1CC[C@@](C)(C(=O)[O-])C1(C)C ZINC000000354923 209547725 /nfs/dbraw/zinc/54/77/25/209547725.db2.gz TVQTWEZLNOFBGS-XIKOKIGWSA-N -1 0 333.384 2.939 50 0 EFAARM O=C([O-])c1nccnc1C(=O)Nc1cc(-n2cccc2)ccc1Cl ZINC000072400777 216194008 /nfs/dbraw/zinc/19/40/08/216194008.db2.gz BMFBOMUJININJN-UHFFFAOYSA-N -1 0 342.742 2.871 50 0 EFAARM CC(C)c1nc(-c2ccccc2NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)n[nH]1 ZINC000072401296 216194212 /nfs/dbraw/zinc/19/42/12/216194212.db2.gz JWCARFZCBORIHB-CHWSQXEVSA-N -1 0 342.399 2.890 50 0 EFAARM CC(C)c1ccn(C2(C(=O)[O-])CCN(c3noc(C(C)C)n3)CC2)n1 ZINC000072409730 216200892 /nfs/dbraw/zinc/20/08/92/216200892.db2.gz GKUAEWXEHRVGDZ-UHFFFAOYSA-N -1 0 347.419 2.593 50 0 EFAARM O=C([O-])C1(n2cnc3ccccc32)CCN(c2nccs2)CC1 ZINC000072408830 216199603 /nfs/dbraw/zinc/19/96/03/216199603.db2.gz AYGLIRVKKHYJBT-UHFFFAOYSA-N -1 0 328.397 2.573 50 0 EFAARM Cc1cccc(OC2(C(=O)[O-])CCN(C(=O)c3ccoc3)CC2)c1 ZINC000072410956 216203131 /nfs/dbraw/zinc/20/31/31/216203131.db2.gz WQBWHRCKDZXDPS-UHFFFAOYSA-N -1 0 329.352 2.726 50 0 EFAARM O=C([O-])C1(Oc2ccccc2)CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000072425371 216214537 /nfs/dbraw/zinc/21/45/37/216214537.db2.gz VVWOIUNEFNETIU-HNNXBMFYSA-N -1 0 329.396 2.868 50 0 EFAARM Cc1cnn(C2(C(=O)[O-])CCN(c3nc4ccccc4s3)CC2)c1 ZINC000072429760 216221939 /nfs/dbraw/zinc/22/19/39/216221939.db2.gz NNMSSLBBGDNCRI-UHFFFAOYSA-N -1 0 342.424 2.882 50 0 EFAARM O=C(CCc1cc(=O)[n-]o1)N1CCC[C@@H](COc2ccccc2F)C1 ZINC000072431029 216223908 /nfs/dbraw/zinc/22/39/08/216223908.db2.gz ZBOOQSYMECIMKH-CYBMUJFWSA-N -1 0 348.374 2.770 50 0 EFAARM O=C([O-])C1(Oc2ccc3c(c2)CCC3)CCN(C(=O)CC2CC2)CC1 ZINC000072439346 216233315 /nfs/dbraw/zinc/23/33/15/216233315.db2.gz LMRUFZIIVHBXGX-UHFFFAOYSA-N -1 0 343.423 2.800 50 0 EFAARM Cc1ncccc1OC1(C(=O)[O-])CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC000072454207 216240881 /nfs/dbraw/zinc/24/08/81/216240881.db2.gz NVELOWGLSZQERU-OAHLLOKOSA-N -1 0 344.411 2.571 50 0 EFAARM CCOc1ccc(-c2ccnc(N[C@@H](C)COC)n2)cc1C(=O)[O-] ZINC000072473316 216249957 /nfs/dbraw/zinc/24/99/57/216249957.db2.gz KGPQTLNLOFZNIE-NSHDSACASA-N -1 0 331.372 2.687 50 0 EFAARM Cc1nc(CN2CCC(Oc3ccc(F)cc3C)(C(=O)[O-])CC2)co1 ZINC000072476074 216254722 /nfs/dbraw/zinc/25/47/22/216254722.db2.gz SQAOTPSQNVLWOC-UHFFFAOYSA-N -1 0 348.374 2.929 50 0 EFAARM O=C([O-])CCc1cc2n(n1)CCCN(Cc1cccc(F)c1F)C2 ZINC000072478421 216256517 /nfs/dbraw/zinc/25/65/17/216256517.db2.gz SLLGVZFDEOTDNF-UHFFFAOYSA-N -1 0 335.354 2.584 50 0 EFAARM O=C([O-])c1ccc(C[C@@H]2CCN(C(=O)CCn3cccc3)C2)cc1 ZINC000072480443 216260604 /nfs/dbraw/zinc/26/06/04/216260604.db2.gz CAODXEHHDVXUHK-INIZCTEOSA-N -1 0 326.396 2.668 50 0 EFAARM O=C([O-])/C=C/c1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1 ZINC000072481737 216262159 /nfs/dbraw/zinc/26/21/59/216262159.db2.gz TUAZQHVEGHPVSA-VQHVLOKHSA-N -1 0 327.361 2.976 50 0 EFAARM O=C([O-])[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC000022209525 212283081 /nfs/dbraw/zinc/28/30/81/212283081.db2.gz NQFMXLKOWKQYMG-OAHLLOKOSA-N -1 0 348.196 2.934 50 0 EFAARM C[C@@H](Oc1ccccc1CN(C)Cc1cc(C2CC2)n[nH]1)C(=O)[O-] ZINC000215081423 241106435 /nfs/dbraw/zinc/10/64/35/241106435.db2.gz QJXQRWXUIRLKKN-GFCCVEGCSA-N -1 0 329.400 2.771 50 0 EFAARM O=C([O-])c1ccccc1CN1CCN(c2ncccc2Cl)CC1 ZINC000216384895 241188834 /nfs/dbraw/zinc/18/88/34/241188834.db2.gz 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COC(=O)c1cc(C)sc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000004902110 210317811 /nfs/dbraw/zinc/31/78/11/210317811.db2.gz PCPHGFITLOYTLU-UWVGGRQHSA-N -1 0 325.386 2.673 50 0 EFAARM COC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc2c1CCCCCC2 ZINC000004902976 210317651 /nfs/dbraw/zinc/31/76/51/210317651.db2.gz QFRQYQZYTLSUDX-CMDGGOBGSA-N -1 0 337.397 2.773 50 0 EFAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000004884306 210311758 /nfs/dbraw/zinc/31/17/58/210311758.db2.gz MOZRFULUVTVHJZ-UHFFFAOYSA-N -1 0 336.291 2.991 50 0 EFAARM O=C([O-])c1ccccc1-n1nc([C@H]2CCOC2)nc1-c1ccco1 ZINC000097447034 219025523 /nfs/dbraw/zinc/02/55/23/219025523.db2.gz PHLSFPKOIOXKDM-NSHDSACASA-N -1 0 325.324 2.729 50 0 EFAARM Cc1c2c(cc(=O)n1Cc1ccccc1)[n-]n(-c1ccc(F)cc1)c2=O ZINC000004784790 210276833 /nfs/dbraw/zinc/27/68/33/210276833.db2.gz AERIONKKSUDYPZ-UHFFFAOYSA-N -1 0 349.365 2.976 50 0 EFAARM O=c1c2ccccc2n2c(n[n-]c2=S)n1Cc1ccc(F)cc1 ZINC000006191202 285211315 /nfs/dbraw/zinc/21/13/15/285211315.db2.gz OIYNRKLWHMUQSO-UHFFFAOYSA-N -1 0 326.356 2.894 50 0 EFAARM O=C([O-])c1ccccc1[C@H]1CCN(C(=O)c2cnn3c2CCCC3)C1 ZINC000072167618 304271838 /nfs/dbraw/zinc/27/18/38/304271838.db2.gz FZZRSBRRXOBBBC-ZDUSSCGKSA-N -1 0 339.395 2.547 50 0 EFAARM O=C([O-])c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 ZINC000037518983 304273803 /nfs/dbraw/zinc/27/38/03/304273803.db2.gz GQXSTESNVVWXOZ-UHFFFAOYSA-N -1 0 336.067 2.747 50 0 EFAARM O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(c2ccccc2F)C1=O ZINC000000118788 258047556 /nfs/dbraw/zinc/04/75/56/258047556.db2.gz MZLWPOIYIBODOL-CQSZACIVSA-N -1 0 345.351 2.948 50 0 EFAARM CCCc1c(C(=O)[O-])c(=O)cc(C)n1Cc1ccc2c(c1)OCO2 ZINC000299789558 258095719 /nfs/dbraw/zinc/09/57/19/258095719.db2.gz XCEUQDMDVSRIAB-UHFFFAOYSA-N -1 0 329.352 2.584 50 0 EFAARM Cc1cc(=O)c(C(=O)[O-])c(CCc2ccccc2)n1C[C@@H]1CCCO1 ZINC000299798581 258102427 /nfs/dbraw/zinc/10/24/27/258102427.db2.gz SZPDECQSBCMTCL-INIZCTEOSA-N -1 0 341.407 2.819 50 0 EFAARM COC(=O)c1ccc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1 ZINC000006699853 292013787 /nfs/dbraw/zinc/01/37/87/292013787.db2.gz OEEOUGAJCMQEHT-LSDHHAIUSA-N -1 0 331.368 2.859 50 0 EFAARM Cc1sc(NC(=O)COCC(=O)[O-])nc1-c1ccc(C)c(C)c1 ZINC000017068806 544428812 /nfs/dbraw/zinc/42/88/12/544428812.db2.gz YJLRYBQDWCGCMA-UHFFFAOYSA-N -1 0 334.397 2.775 50 0 EFAARM Cn1cc(Br)cc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000043583779 544444710 /nfs/dbraw/zinc/44/47/10/544444710.db2.gz FJJYDLBBDHQCTK-JTQLQIEISA-N -1 0 343.221 2.505 50 0 EFAARM CC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)[O-] ZINC000000351517 287658345 /nfs/dbraw/zinc/65/83/45/287658345.db2.gz NMVOTSMEGVSCEK-XHDPSFHLSA-N -1 0 344.367 2.761 50 0 EFAARM CC(Nc1ccccc1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000003878989 275401866 /nfs/dbraw/zinc/40/18/66/275401866.db2.gz OQEATYXBBKFRAC-SSZFMOIBSA-N -1 0 335.363 2.651 50 0 EFAARM CC(C)(CC(=O)[O-])CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000000423041 278598317 /nfs/dbraw/zinc/59/83/17/278598317.db2.gz NZMDMHCNZXHGGJ-UHFFFAOYSA-N -1 0 338.429 2.555 50 0 EFAARM CC(C)n1cc(C(=O)N2CCc3ccccc3[C@@H]2CC(=O)[O-])cn1 ZINC000095526538 280764065 /nfs/dbraw/zinc/76/40/65/280764065.db2.gz CYPUPHMORNBKCS-INIZCTEOSA-N -1 0 327.384 2.678 50 0 EFAARM CN(C)[C@@H](C(=O)NC1(CC(=O)[O-])CCCCC1)c1cccc(F)c1 ZINC000220591785 289272839 /nfs/dbraw/zinc/27/28/39/289272839.db2.gz RMDUVXUHNJWBAQ-MRXNPFEDSA-N -1 0 336.407 2.722 50 0 EFAARM COc1cc2c(cc1OC)-c1nc3onc(C)c3c(C(=O)[O-])c1C2 ZINC000095480800 295037516 /nfs/dbraw/zinc/03/75/16/295037516.db2.gz IDWPXUNYHRZGHC-UHFFFAOYSA-N -1 0 326.308 2.818 50 0 EFAARM COc1ccc(F)c(F)c1C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000244691530 295148137 /nfs/dbraw/zinc/14/81/37/295148137.db2.gz JELPQOCDCZBBKK-ZDUSSCGKSA-N -1 0 347.317 2.625 50 0 EFAARM Cc1c2c(cc(=O)n1C1CC1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000012321763 301015231 /nfs/dbraw/zinc/01/52/31/301015231.db2.gz XLPSKPDFGBDROG-UHFFFAOYSA-N -1 0 338.392 2.734 50 0 EFAARM Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])ccc12 ZINC000016480042 301068678 /nfs/dbraw/zinc/06/86/78/301068678.db2.gz SGMQPIPRCVJDAL-KGLIPLIRSA-N -1 0 327.336 2.707 50 0 EFAARM Cc1cc(C)nc(N2CCC(Oc3cccc(F)c3)(C(=O)[O-])CC2)n1 ZINC000072410320 301262521 /nfs/dbraw/zinc/26/25/21/301262521.db2.gz FGLQXMJOWXEVHV-UHFFFAOYSA-N -1 0 345.374 2.735 50 0 EFAARM Cc1ccccc1[C@@H]1CN(C(=O)c2ccn(C(F)F)n2)C[C@H]1C(=O)[O-] ZINC000092001965 302154543 /nfs/dbraw/zinc/15/45/43/302154543.db2.gz QIPOTDLWLLTEJH-QWHCGFSZSA-N -1 0 349.337 2.527 50 0 EFAARM Cc1cccnc1NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001236993 302240994 /nfs/dbraw/zinc/24/09/94/302240994.db2.gz NRSIYAZXPARTMZ-UHFFFAOYSA-N -1 0 335.363 2.609 50 0 EFAARM Cn1nc(C(C)(C)C)c2c1NC(=O)C[C@@H]2c1ccc(C(=O)[O-])s1 ZINC000065530933 303043134 /nfs/dbraw/zinc/04/31/34/303043134.db2.gz JKQCRXYCESVXOR-MRVPVSSYSA-N -1 0 333.413 2.951 50 0 EFAARM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]c1ncccc1C ZINC000044891589 463698990 /nfs/dbraw/zinc/69/89/90/463698990.db2.gz XVVWVJGHZATPKC-UHFFFAOYSA-N -1 0 346.817 2.692 50 0 EFAARM O=S(=O)([O-])Oc1c[nH]c2cc(Cl)c(Br)cc12 ZINC000002559005 471410707 /nfs/dbraw/zinc/41/07/07/471410707.db2.gz ZZRQCALIQVNOFH-UHFFFAOYSA-N -1 0 326.555 2.765 50 0 EFAARM Cc1ccccc1[C@H](C(=O)NCc1ccc(C(=O)[O-])s1)N(C)C ZINC000095502246 473215054 /nfs/dbraw/zinc/21/50/54/473215054.db2.gz NSGJBYCTZIZBHG-OAHLLOKOSA-N -1 0 332.425 2.674 50 0 EFAARM O=C([O-])CN(Cc1ccccc1)C(=O)c1coc(Br)c1 ZINC000095956972 473229945 /nfs/dbraw/zinc/22/99/45/473229945.db2.gz IWLJVOSALWNSCB-UHFFFAOYSA-N -1 0 338.157 2.769 50 0 EFAARM Cc1ccc(N2CCN(C(=O)c3ccc([O-])c(Cl)c3)CC2=O)cc1 ZINC000082115728 473291211 /nfs/dbraw/zinc/29/12/11/473291211.db2.gz WEOOMKYQTAANPR-UHFFFAOYSA-N -1 0 344.798 2.843 50 0 EFAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cnn([C@H]3CCOC3)c2)cc1 ZINC000096123275 473308248 /nfs/dbraw/zinc/30/82/48/473308248.db2.gz YYZBOWJAQMWCBD-HNNXBMFYSA-N -1 0 349.456 2.943 50 0 EFAARM CC1(C)c2sc(=O)[nH]c2S[C@@H](C(=O)[O-])[C@H]1C(=O)c1ccccc1 ZINC000096318831 473374625 /nfs/dbraw/zinc/37/46/25/473374625.db2.gz RVXUIXBCHUNAKQ-MWLCHTKSSA-N -1 0 349.433 2.772 50 0 EFAARM O=C([O-])[C@@H]1[C@H](O)CC[C@@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]21 ZINC000000000847 471317097 /nfs/dbraw/zinc/31/70/97/471317097.db2.gz AADVZSXPNRLYLV-IBAORJOWSA-N -1 0 340.423 2.559 50 0 EFAARM Cc1[nH]c2ccccc2c1CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000000094649 471321853 /nfs/dbraw/zinc/32/18/53/471321853.db2.gz BWNVJRYTHVWIGP-HZPDHXFCSA-N -1 0 326.396 2.802 50 0 EFAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccco2)cc1OC ZINC000000100002 471322661 /nfs/dbraw/zinc/32/26/61/471322661.db2.gz XKYZMZRROMCOBE-LBPRGKRZSA-N -1 0 333.340 2.633 50 0 EFAARM CCc1nc2ccccc2n1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000000098522 471322951 /nfs/dbraw/zinc/32/29/51/471322951.db2.gz KRTNWLZOTMCHBF-AWEZNQCLSA-N -1 0 340.379 2.737 50 0 biogenic EFAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Br)cc2)n1 ZINC000000116233 471325299 /nfs/dbraw/zinc/32/52/99/471325299.db2.gz NZHHAKVDBRMLFL-UHFFFAOYSA-N -1 0 342.218 2.657 50 0 EFAARM COc1ccccc1-c1coc2cc(OCC(=O)[O-])ccc2c1=O ZINC000000123370 471326413 /nfs/dbraw/zinc/32/64/13/471326413.db2.gz XEZQQAYPTKXYPI-UHFFFAOYSA-N -1 0 326.304 2.932 50 0 biogenic EFAARM CC(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000138952 471327637 /nfs/dbraw/zinc/32/76/37/471327637.db2.gz ZJNZWOBMRLROTK-UHFFFAOYSA-N -1 0 325.415 2.538 50 0 EFAARM CC[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(N)=O)C1 ZINC000000205160 471334807 /nfs/dbraw/zinc/33/48/07/471334807.db2.gz YPYUXYGSMYLXGI-SECBINFHSA-N -1 0 338.429 2.555 50 0 EFAARM COc1ccc2oc(=O)c(C(=O)Nc3cccc(C(=O)[O-])c3)cc2c1 ZINC000000202019 471334813 /nfs/dbraw/zinc/33/48/13/471334813.db2.gz RYZNKSQDEIFVJI-UHFFFAOYSA-N -1 0 339.303 2.752 50 0 biogenic EFAARM CCOC(=O)c1cc(C)sc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000000214886 471337390 /nfs/dbraw/zinc/33/73/90/471337390.db2.gz CZSTXXFUQGCNDP-WDEREUQCSA-N -1 0 337.397 2.839 50 0 EFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)c1 ZINC000000249030 471339798 /nfs/dbraw/zinc/33/97/98/471339798.db2.gz MHTPZQVFOKGNBV-UHFFFAOYSA-N -1 0 335.381 2.707 50 0 EFAARM O=C([O-])[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000000243577 471340586 /nfs/dbraw/zinc/34/05/86/471340586.db2.gz WGAHLUJFRZDFHK-NEPJUHHUSA-N -1 0 331.290 2.914 50 0 EFAARM O=C([O-])[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 ZINC000000266614 471341253 /nfs/dbraw/zinc/34/12/53/471341253.db2.gz UDTRIHNSADWKRA-KRWDZBQOSA-N -1 0 341.388 2.944 50 0 EFAARM CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000000267738 471341809 /nfs/dbraw/zinc/34/18/09/471341809.db2.gz XRIRGNVWQURSSX-UHFFFAOYSA-N -1 0 335.381 2.893 50 0 EFAARM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(F)cc1 ZINC000000310957 471346182 /nfs/dbraw/zinc/34/61/82/471346182.db2.gz QDGPZUGQXKFVRD-UHFFFAOYSA-N -1 0 348.355 2.659 50 0 EFAARM CCOc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(C)cc2)cc1 ZINC000000310376 471346211 /nfs/dbraw/zinc/34/62/11/471346211.db2.gz QARNENQDIHRPLH-UHFFFAOYSA-N -1 0 349.408 2.674 50 0 EFAARM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1 ZINC000000314696 471347264 /nfs/dbraw/zinc/34/72/64/471347264.db2.gz SKGMCVQEHCCULT-UHFFFAOYSA-N -1 0 334.397 2.845 50 0 EFAARM O=C([O-])[C@H](CCSc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000330303 471348720 /nfs/dbraw/zinc/34/87/20/471348720.db2.gz GFFKHQSBGGYCRF-HNNXBMFYSA-N -1 0 341.388 2.918 50 0 EFAARM CCc1c(C)sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1C(N)=O ZINC000000369137 471351414 /nfs/dbraw/zinc/35/14/14/471351414.db2.gz GJAIXTCRPDWCKV-GHMZBOCLSA-N -1 0 338.429 2.547 50 0 EFAARM O=S(=O)([N-]c1cccc2cccnc21)c1ccc2c(c1)OCCO2 ZINC000000414672 471355397 /nfs/dbraw/zinc/35/53/97/471355397.db2.gz HMUAJROQIWOSPO-UHFFFAOYSA-N -1 0 342.376 2.807 50 0 EFAARM O=C([O-])CSc1nc2ccccc2c(=O)n1Cc1ccccc1 ZINC000000419674 471356958 /nfs/dbraw/zinc/35/69/58/471356958.db2.gz WGWDYFSTIFSBGL-UHFFFAOYSA-N -1 0 326.377 2.622 50 0 EFAARM CC(C)CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000000447295 471360961 /nfs/dbraw/zinc/36/09/61/471360961.db2.gz SNZSFWOSJFUAFS-UHFFFAOYSA-N -1 0 326.201 2.626 50 0 EFAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)C)cc1 ZINC000000460369 471363056 /nfs/dbraw/zinc/36/30/56/471363056.db2.gz XBVXLISEJNCEJS-UHFFFAOYSA-N -1 0 348.424 2.634 50 0 EFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(OC)c(C)c2)c1 ZINC000000470849 471363915 /nfs/dbraw/zinc/36/39/15/471363915.db2.gz OZBWUDCVUTUZJQ-UHFFFAOYSA-N -1 0 337.397 2.822 50 0 EFAARM CCC(=O)NCCc1c2cc(Br)ccc2[nH]c1C(=O)[O-] ZINC000000507793 471366455 /nfs/dbraw/zinc/36/64/55/471366455.db2.gz LWFGTSHPEYFIPN-UHFFFAOYSA-N -1 0 339.189 2.697 50 0 EFAARM COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccccc1C(=O)[O-] ZINC000000517912 471367380 /nfs/dbraw/zinc/36/73/80/471367380.db2.gz PTZQTSZGLJRELG-OAHLLOKOSA-N -1 0 329.308 2.683 50 0 biogenic EFAARM COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)[O-])c(O)c2)c(O)c1 ZINC000000517415 471367538 /nfs/dbraw/zinc/36/75/38/471367538.db2.gz GODLCSLPZIBRMG-UHFFFAOYSA-N -1 0 332.308 2.641 50 0 biogenic,in-vitro EFAARM C[C@H](NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000000611420 471373844 /nfs/dbraw/zinc/37/38/44/471373844.db2.gz MDTKTYGSCSFELM-ZDUSSCGKSA-N -1 0 333.409 2.743 50 0 EFAARM COC(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1Cl ZINC000000812384 471376366 /nfs/dbraw/zinc/37/63/66/471376366.db2.gz MUHSVRXMSGONBG-UHFFFAOYSA-N -1 0 331.802 2.989 50 0 EFAARM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000000971006 471378033 /nfs/dbraw/zinc/37/80/33/471378033.db2.gz RPXJVSWDCQSJMZ-WMZOPIPTSA-N -1 0 347.374 2.605 50 0 EFAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(N)=O)ccc2Cl)cc1C ZINC000001079706 471380842 /nfs/dbraw/zinc/38/08/42/471380842.db2.gz IGBOVYWVLYXQPH-UHFFFAOYSA-N -1 0 338.816 2.857 50 0 EFAARM COc1ccc(CN2Cc3cccc(C(=O)[O-])c3C2=O)cc1OC ZINC000001304670 471384909 /nfs/dbraw/zinc/38/49/09/471384909.db2.gz RBCMSWHIMFOXRR-UHFFFAOYSA-N -1 0 327.336 2.558 50 0 EFAARM COc1ccc(N(CCC(=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001747082 471397393 /nfs/dbraw/zinc/39/73/93/471397393.db2.gz ZAVGHFBCESXMPY-UHFFFAOYSA-N -1 0 349.408 2.674 50 0 EFAARM CCCCNC(=O)Nc1ccc([C@@](O)(C(=O)OC)C(F)(F)F)cc1 ZINC000002050174 471400140 /nfs/dbraw/zinc/40/01/40/471400140.db2.gz CFPOKRPHFYVLTK-CQSZACIVSA-N -1 0 348.321 2.531 50 0 EFAARM Cc1nc2sc3c(c2c2nc(CCC(=O)[O-])nn21)CC[C@@H](C)C3 ZINC000002350657 471407242 /nfs/dbraw/zinc/40/72/42/471407242.db2.gz DWLRPOSESQCJBY-MRVPVSSYSA-N -1 0 330.413 2.789 50 0 EFAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)[O-] ZINC000002560864 471410932 /nfs/dbraw/zinc/41/09/32/471410932.db2.gz ULNOXUAEIPUJMK-NSHDSACASA-N -1 0 344.205 2.970 50 0 EFAARM O=C([O-])CNc1c(F)cc(Br)cc1Br ZINC000002544860 471411313 /nfs/dbraw/zinc/41/13/13/471411313.db2.gz ROSYCTSDJYITOX-UHFFFAOYSA-N -1 0 326.947 2.847 50 0 EFAARM Cc1cc(C)cc(OCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC000002633022 471414204 /nfs/dbraw/zinc/41/42/04/471414204.db2.gz CVYZGWJOAUJRRM-GOSISDBHSA-N -1 0 339.391 2.720 50 0 EFAARM Cc1ccccc1Cn1cnc([N-]S(=O)(=O)c2ccc(F)cc2)n1 ZINC000002780985 471421658 /nfs/dbraw/zinc/42/16/58/471421658.db2.gz 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CN(C)[C@H](C(=O)NC1(CC(=O)[O-])CCCCC1)c1cccc(F)c1 ZINC000220591844 474155499 /nfs/dbraw/zinc/15/54/99/474155499.db2.gz RMDUVXUHNJWBAQ-INIZCTEOSA-N -1 0 336.407 2.722 50 0 EFAARM CC(C)[C@H](C(=O)NCCc1nc(C(=O)[O-])cs1)c1ccccc1 ZINC000221213293 474159227 /nfs/dbraw/zinc/15/92/27/474159227.db2.gz JXAVEXKDBJTVNY-HNNXBMFYSA-N -1 0 332.425 2.940 50 0 EFAARM O=S(=O)(NCCc1cnc(-c2ccccc2)nc1)c1cccs1 ZINC000225593218 474228141 /nfs/dbraw/zinc/22/81/41/474228141.db2.gz HROPUMVUIHBZQJ-UHFFFAOYSA-N -1 0 345.449 2.726 50 0 EFAARM CC(=O)c1ccc(CC[N-]S(=O)(=O)c2c(F)cccc2F)s1 ZINC000225673612 474235880 /nfs/dbraw/zinc/23/58/80/474235880.db2.gz KGFRGBKJAKQJFU-UHFFFAOYSA-N -1 0 345.392 2.750 50 0 EFAARM Cc1cccc([C@H](C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)N(C)C)c1 ZINC000248150994 474269566 /nfs/dbraw/zinc/26/95/66/474269566.db2.gz JSTOJGPJQXOMHL-BFYDXBDKSA-N -1 0 332.444 2.605 50 0 EFAARM Cc1cc([C@@H]2CCCN2CCC(=O)Nc2ccsc2C(=O)[O-])no1 ZINC000240662391 474550546 /nfs/dbraw/zinc/55/05/46/474550546.db2.gz PKPNFXVWVSGIDA-ZDUSSCGKSA-N -1 0 349.412 2.908 50 0 EFAARM Cc1ccc(CN(C)CC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000244594297 474565665 /nfs/dbraw/zinc/56/56/65/474565665.db2.gz DKJAWCXTINYUCD-QGZVFWFLSA-N -1 0 332.444 2.673 50 0 EFAARM Cc1ccccc1[C@H](C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1)N(C)C ZINC000244882611 474568988 /nfs/dbraw/zinc/56/89/88/474568988.db2.gz XVBAYHIFUKYKGO-BFYDXBDKSA-N -1 0 332.444 2.605 50 0 EFAARM O=C([O-])CCCNC(=O)N1c2ccccc2C[C@H](O)c2ccccc21 ZINC000250526359 474632588 /nfs/dbraw/zinc/63/25/88/474632588.db2.gz GZCFGVXBUYHYKW-KRWDZBQOSA-N -1 0 340.379 2.989 50 0 EFAARM CN(CC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1)Cc1ccccn1 ZINC000252489328 474674722 /nfs/dbraw/zinc/67/47/22/474674722.db2.gz JOGBVFJMPJHMCZ-UHFFFAOYSA-N -1 0 333.775 2.504 50 0 EFAARM C[C@H](c1cccs1)N(C)C(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000317025280 474883484 /nfs/dbraw/zinc/88/34/84/474883484.db2.gz ULJVPBOUFAWKSQ-SECBINFHSA-N -1 0 339.442 2.848 50 0 EFAARM COc1cc(C(=O)[O-])cc(C(=O)N[C@H]2COC3(C2)CCCCC3)c1 ZINC000426518005 477712240 /nfs/dbraw/zinc/71/22/40/477712240.db2.gz XOTIJWUGTDOZAH-CQSZACIVSA-N -1 0 333.384 2.615 50 0 EFAARM CC(C)(C)n1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c1 ZINC000426573018 477722589 /nfs/dbraw/zinc/72/25/89/477722589.db2.gz GPHWCSDQQMIRCJ-INIZCTEOSA-N -1 0 326.396 2.895 50 0 EFAARM CN(Cc1c[nH]nc1-c1ccccc1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000426612276 477726915 /nfs/dbraw/zinc/72/69/15/477726915.db2.gz FWCIHMNFTSKRKT-UONOGXRCSA-N -1 0 327.384 2.536 50 0 EFAARM O=C([O-])CC1(NC(=O)N2CCC[C@@H](c3ccncn3)C2)CCCCC1 ZINC000426691136 477738990 /nfs/dbraw/zinc/73/89/90/477738990.db2.gz FICFRRQIARIBLB-CQSZACIVSA-N -1 0 346.431 2.543 50 0 EFAARM Cc1cccc(N2CCC(NC(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)CC2)c1 ZINC000426719784 477742471 /nfs/dbraw/zinc/74/24/71/477742471.db2.gz CINVWIFSVLSWNG-LSDHHAIUSA-N -1 0 330.428 2.581 50 0 EFAARM Cc1c(C(=O)[O-])sc2ncnc(-c3ccc(S(C)(=O)=O)cc3)c12 ZINC000534581026 478158984 /nfs/dbraw/zinc/15/89/84/478158984.db2.gz PTKMRLMCMLFZGA-UHFFFAOYSA-N -1 0 348.405 2.768 50 0 EFAARM CCn1c(-c2c(OC)cccc2OC)nc2cc(C(=O)[O-])cnc21 ZINC000534578953 478159133 /nfs/dbraw/zinc/15/91/33/478159133.db2.gz QUSQXTSDOAJLCW-UHFFFAOYSA-N -1 0 327.340 2.834 50 0 EFAARM Cc1ccc(S(=O)(=O)c2cc3ccccc3n2CC(=O)[O-])cc1 ZINC000601008686 478613233 /nfs/dbraw/zinc/61/32/33/478613233.db2.gz OFIXPZOUGNEZQB-UHFFFAOYSA-N -1 0 329.377 2.867 50 0 EFAARM Cc1c(NC(=O)C[C@@H]2CCCO2)cc(Br)cc1C(=O)[O-] ZINC000585134249 479294981 /nfs/dbraw/zinc/29/49/81/479294981.db2.gz JWBVMYZGCQVKFH-JTQLQIEISA-N -1 0 342.189 2.963 50 0 EFAARM CCC1(C(=O)N[C@@H](Cc2sccc2Br)C(=O)[O-])CC1 ZINC000585134548 479294998 /nfs/dbraw/zinc/29/49/98/479294998.db2.gz YSUDTSPZVYSBCX-VIFPVBQESA-N -1 0 346.246 2.813 50 0 EFAARM Cc1noc(C)c1CCC(=O)N1CCC[C@@H]1c1nc(C(=O)[O-])cs1 ZINC000585134182 479295029 /nfs/dbraw/zinc/29/50/29/479295029.db2.gz HCBJNKGSWLHHEX-CYBMUJFWSA-N -1 0 349.412 2.742 50 0 EFAARM C[C@@H]1C[C@H](C(=O)N[C@@H](Cc2cccc3ccccc32)C(=O)[O-])CCO1 ZINC000585134034 479295268 /nfs/dbraw/zinc/29/52/68/479295268.db2.gz BDQVLXOSGUOSTN-QBIMZIAESA-N -1 0 341.407 2.767 50 0 EFAARM O=C([O-])[C@H](Cc1cccc2ccccc21)NC(=O)CC1CCOCC1 ZINC000585134191 479295284 /nfs/dbraw/zinc/29/52/84/479295284.db2.gz HEPQJVNDLBDLQJ-SFHVURJKSA-N -1 0 341.407 2.768 50 0 EFAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)CCc2ccsc2)C1 ZINC000091643503 523495175 /nfs/dbraw/zinc/49/51/75/523495175.db2.gz LFAUUZAKRHZVEA-QGZVFWFLSA-N -1 0 339.457 2.801 50 0 EFAARM CCc1cccc(OCCCN(C)C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000426388150 535905505 /nfs/dbraw/zinc/90/55/05/535905505.db2.gz KJWZJLVSABGZGG-JKSUJKDBSA-N -1 0 333.428 2.977 50 0 EFAARM COC(=O)C[C@@H](c1ccc(C(=O)[O-])cc1)c1cc2c(cc1O)OCO2 ZINC000218055551 536313542 /nfs/dbraw/zinc/31/35/42/536313542.db2.gz CCBZLRSYQWIBIN-LBPRGKRZSA-N -1 0 344.319 2.514 50 0 biogenic EFAARM COc1ccc(-c2nc(C)c(C(=O)N[C@@H](C(=O)[O-])C(C)C)s2)cc1 ZINC000206411856 545556660 /nfs/dbraw/zinc/55/66/60/545556660.db2.gz YOSUBBMCSCUBKO-CYBMUJFWSA-N -1 0 348.424 2.966 50 0 EFAARM C[C@H](CN(C)c1nnc(Cc2ccc(Cl)cc2)s1)C(=O)[O-] ZINC000263564514 545624927 /nfs/dbraw/zinc/62/49/27/545624927.db2.gz UZLPJLFPQXIYQG-SECBINFHSA-N -1 0 325.821 2.939 50 0 EFAARM CSCC[C@H](NC(=O)N(C)Cc1cccc2ncccc12)C(=O)[O-] ZINC000670444940 547490213 /nfs/dbraw/zinc/49/02/13/547490213.db2.gz PPYHOFAZXJAARY-HNNXBMFYSA-N -1 0 347.440 2.583 50 0 EFAARM COCc1nc([C@@H]2CCCCCN2C)n(-c2ccccc2C(=O)[O-])n1 ZINC000670474204 547496118 /nfs/dbraw/zinc/49/61/18/547496118.db2.gz OPSRMBXDBTWEEE-HNNXBMFYSA-N -1 0 344.415 2.659 50 0 EFAARM COc1cccc2c1ccn2CCC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000206412769 1249462538 /nfs/dbraw/zinc/46/25/38/1249462538.db2.gz VAOVYPHBEGSEQV-CQSZACIVSA-N -1 0 332.400 2.656 50 0 EFAARM Cn1nc(C(=O)[O-])c2c1CCN(Cc1ccc([C@@H]3CCCCO3)o1)C2 ZINC000828571144 1267802766 /nfs/dbraw/zinc/80/27/66/1267802766.db2.gz ISBVWEZFCIIDRN-HNNXBMFYSA-N -1 0 345.399 2.511 50 0 EFAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)[C@]1(c2cccs2)CC1(C)C ZINC000065370031 1270957214 /nfs/dbraw/zinc/95/72/14/1270957214.db2.gz FENYEZBGJDVJAG-QGZVFWFLSA-N -1 0 347.440 2.952 50 0 EFAARM COc1ccccc1[C@@H]1CN(Cc2noc(C(C)C)n2)C[C@H]1C(=O)[O-] ZINC000091289252 1289905468 /nfs/dbraw/zinc/90/54/68/1289905468.db2.gz PBTKGPLXVIZEOG-UONOGXRCSA-N -1 0 345.399 2.502 50 0 EFAARM CCn1c(N[C@H](C)c2nc(C(C)C)no2)nc2cc(C(=O)[O-])cnc21 ZINC001506395952 1405749500 /nfs/dbraw/zinc/74/95/00/1405749500.db2.gz KLWRBJRXUPCAGK-SECBINFHSA-N -1 0 344.375 2.829 50 0 EFAARM CC[C@H](CO)N(Cc1cccnc1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001506414249 1405759185 /nfs/dbraw/zinc/75/91/85/1405759185.db2.gz NDVNDRDIWWMJFL-MRXNPFEDSA-N -1 0 343.383 2.585 50 0 EFAARM COC[C@@H](c1ccccn1)N(C)Cc1ccc(OC)c(C(=O)[O-])c1 ZINC001506421352 1405761067 /nfs/dbraw/zinc/76/10/67/1405761067.db2.gz FNVCYNCIWGHXIM-INIZCTEOSA-N -1 0 330.384 2.608 50 0 EFAARM FC(F)(F)Oc1ccc(-c2nccn2CCCc2nn[n-]n2)cc1 ZINC000072135452 1423393820 /nfs/dbraw/zinc/39/38/20/1423393820.db2.gz CXMLPBDZGDJCLI-UHFFFAOYSA-N -1 0 338.293 2.595 50 0 EFAARM CC(=O)c1cc(CN(C)Cc2cccc(-c3nn[n-]n3)c2)cs1 ZINC000240936856 1423453972 /nfs/dbraw/zinc/45/39/72/1423453972.db2.gz SEZMXFRIPGAGEU-UHFFFAOYSA-N -1 0 327.413 2.763 50 0 EFAARM Cc1c2ccc(OCc3nn[n-]n3)cc2oc(=O)c1Cc1ccccc1 ZINC000006059515 1424341989 /nfs/dbraw/zinc/34/19/89/1424341989.db2.gz GIDZPTJRIPFXDM-UHFFFAOYSA-N -1 0 348.362 2.784 50 0 aggregator EFAARM COc1cc(CNc2nnn[n-]2)ccc1OCc1ccccc1F ZINC000005019136 1441433058 /nfs/dbraw/zinc/43/30/58/1441433058.db2.gz BEFIDEZYKWJMKD-UHFFFAOYSA-N -1 0 329.335 2.539 50 0 EFAARM CCOc1cc(CNc2nnn[n-]2)ccc1OCc1ccccc1 ZINC000005019143 1446242405 /nfs/dbraw/zinc/24/24/05/1446242405.db2.gz FICCARJYKIEKJB-UHFFFAOYSA-N -1 0 325.372 2.790 50 0 EFAARM CCc1ncc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)cn1 ZINC000095496765 717543364 /nfs/dbraw/zinc/54/33/64/717543364.db2.gz WOOZFXCAWUJUNH-CYBMUJFWSA-N -1 0 333.775 2.638 50 0 EFAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2OC)c1=O ZINC000006520107 1098100943 /nfs/dbraw/zinc/10/09/43/1098100943.db2.gz GVWJKLOUNKGOSG-UHFFFAOYSA-N -1 0 338.363 2.988 50 0 EFAARM O=C(CSc1nc(=O)c2sccc2[n-]1)Nc1ccc(F)cc1 ZINC000051317216 214087775 /nfs/dbraw/zinc/08/77/75/214087775.db2.gz MOUFMKJTLPHEHT-UHFFFAOYSA-N -1 0 335.385 2.855 50 0 EFAARM O=C(CSc1nc(=O)c2sccc2[n-]1)Nc1ccccc1F ZINC000051317214 214087944 /nfs/dbraw/zinc/08/79/44/214087944.db2.gz KQQPVKFVUDJPRU-UHFFFAOYSA-N -1 0 335.385 2.855 50 0 EFAARM Cc1c(NC(=O)CCc2cc(=O)[n-]o2)cccc1C(=O)NC(C)(C)C ZINC000055154648 214279991 /nfs/dbraw/zinc/27/99/91/214279991.db2.gz PPHDZLVJKYHCBY-UHFFFAOYSA-N -1 0 345.399 2.788 50 0 EFAARM CCN(Cc1noc(C)n1)[C@H](C(=O)[O-])c1cc(C)c(OC)c(C)c1 ZINC000055198087 214287276 /nfs/dbraw/zinc/28/72/76/214287276.db2.gz RKYHUGWZXGGABL-HNNXBMFYSA-N -1 0 333.388 2.651 50 0 EFAARM COc1ccccc1OC[C@@H](C)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000097759255 219055893 /nfs/dbraw/zinc/05/58/93/219055893.db2.gz CHCRWRYDMAHENX-SNVBAGLBSA-N -1 0 335.381 2.652 50 0 EFAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(C)c(C)c2)cc1 ZINC000004691049 210248636 /nfs/dbraw/zinc/24/86/36/210248636.db2.gz MQCVEDLFSNNQAW-UHFFFAOYSA-N -1 0 333.409 2.892 50 0 EFAARM CN(Cc1ccc2nsnc2c1)C(=O)c1ccc(C(=O)[O-])s1 ZINC000097785665 219058126 /nfs/dbraw/zinc/05/81/26/219058126.db2.gz ULHGXRLIDJYWQJ-UHFFFAOYSA-N -1 0 333.394 2.723 50 0 EFAARM CCN(C(=O)c1cccc(NC(=O)/C=C\C(=O)[O-])c1)c1ccccc1 ZINC000057474443 214431743 /nfs/dbraw/zinc/43/17/43/214431743.db2.gz ZVBCUSVQELRHJS-QXMHVHEDSA-N -1 0 338.363 2.933 50 0 EFAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(OC(=O)c3cccs3)cc2)N1 ZINC000004556454 210221135 /nfs/dbraw/zinc/22/11/35/210221135.db2.gz OUVLIBMSGYYMKR-AAEUAGOBSA-N -1 0 335.406 2.756 50 0 EFAARM COc1ccc(-c2cc(=O)n3nc(-c4ccccc4)[n-]c3n2)cc1OC ZINC000100071894 219090110 /nfs/dbraw/zinc/09/01/10/219090110.db2.gz MOEDKSVUYCIQMB-UHFFFAOYSA-N -1 0 348.362 2.769 50 0 EFAARM O=C([O-])CN1C(=O)S/C(=C/c2ccc(Br)s2)C1=O ZINC000004502125 210206056 /nfs/dbraw/zinc/20/60/56/210206056.db2.gz SZUPCUBAYRXYDC-ZZXKWVIFSA-N -1 0 348.199 2.632 50 0 EFAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2cccc(OC)c2)c1=O ZINC000100512616 219100994 /nfs/dbraw/zinc/10/09/94/219100994.db2.gz RZZNVXTULOXJIS-UHFFFAOYSA-N -1 0 338.363 2.988 50 0 EFAARM CCn1c(=O)c(C(=O)NCc2ccc(F)cc2)c([O-])c2ccccc21 ZINC000100512518 219101315 /nfs/dbraw/zinc/10/13/15/219101315.db2.gz CEBWFNGPYDQFSF-UHFFFAOYSA-N -1 0 340.354 2.796 50 0 EFAARM CCOC(=O)Cc1cc(=O)n2[n-]c(C)c(-c3ccc(Cl)cc3)c2n1 ZINC000100629297 219102748 /nfs/dbraw/zinc/10/27/48/219102748.db2.gz QIXAQDLHOJMQNH-UHFFFAOYSA-N -1 0 345.786 2.757 50 0 EFAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ncccn2)c1=O ZINC000100672076 219104587 /nfs/dbraw/zinc/10/45/87/219104587.db2.gz FCRXFQSZRWJHAG-UHFFFAOYSA-N -1 0 338.367 2.550 50 0 EFAARM O=C([O-])CCS[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000100856159 219109669 /nfs/dbraw/zinc/10/96/69/219109669.db2.gz GLLYIATUUXKJJO-JTQLQIEISA-N -1 0 347.314 2.545 50 0 EFAARM Cc1nc2[n-]c(COc3ccccc3)nn2c(=O)c1Cc1ccccc1 ZINC000101210684 219118979 /nfs/dbraw/zinc/11/89/79/219118979.db2.gz BFAJBTVDKRUORE-UHFFFAOYSA-N -1 0 346.390 2.896 50 0 EFAARM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)cc1C ZINC000101277763 219121930 /nfs/dbraw/zinc/12/19/30/219121930.db2.gz QYVPQPXQQFTWDR-HOTGVXAUSA-N -1 0 338.342 2.940 50 0 EFAARM CSc1nc2n(n1)[C@@H](c1ccc(SC)cc1)CC(C(=O)[O-])=N2 ZINC000101446944 219127197 /nfs/dbraw/zinc/12/71/97/219127197.db2.gz RFLQBYFGRLUKFZ-LLVKDONJSA-N -1 0 334.426 2.705 50 0 EFAARM Cc1c2c(cc(=O)n1Cc1ccncc1)[n-]n(-c1ccccc1)c2=O ZINC000101536557 219132725 /nfs/dbraw/zinc/13/27/25/219132725.db2.gz YWEDRUNOABFVKY-UHFFFAOYSA-N -1 0 332.363 2.596 50 0 EFAARM Cc1ccc(NC(=O)C2CCCC2)c(N2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000065452047 214913383 /nfs/dbraw/zinc/91/33/83/214913383.db2.gz AZLGARIFGYQZJE-ZDUSSCGKSA-N -1 0 330.384 2.561 50 0 EFAARM CCn1c(COc2cccc3cccnc32)nnc1SCC(=O)[O-] ZINC000004171886 210137758 /nfs/dbraw/zinc/13/77/58/210137758.db2.gz DUKFHIGXONGPIO-UHFFFAOYSA-N -1 0 344.396 2.602 50 0 EFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2c(F)cccc2F)cc1 ZINC000004105246 210120424 /nfs/dbraw/zinc/12/04/24/210120424.db2.gz XVHCPWBRWJPWRY-UHFFFAOYSA-N -1 0 326.324 2.784 50 0 EFAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccco1 ZINC000003876462 210082470 /nfs/dbraw/zinc/08/24/70/210082470.db2.gz NYDOYSZUPNARMT-UHFFFAOYSA-N -1 0 349.393 2.789 50 0 EFAARM COC(=O)c1cccc2c1[n-]cc(C(=O)c1ccc(OC)cc1)c2=O ZINC000067172446 215120616 /nfs/dbraw/zinc/12/06/16/215120616.db2.gz TZNFETKYWPLCQB-UHFFFAOYSA-N -1 0 337.331 2.967 50 0 EFAARM COc1ccc(-n2cc(C(=O)[O-])c3ccccc3c2=O)cc1OC ZINC000067172386 215120693 /nfs/dbraw/zinc/12/06/93/215120693.db2.gz HHMUQZWIIFEVOO-UHFFFAOYSA-N -1 0 325.320 2.706 50 0 EFAARM COc1cc(/C=C/C(=O)[O-])ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000003315937 210004240 /nfs/dbraw/zinc/00/42/40/210004240.db2.gz OBIOXFLUCOHLTL-UXBLZVDNSA-N -1 0 348.376 2.869 50 0 EFAARM COc1ccc(Cl)cc1-n1nnc(C(=O)[O-])c1-c1ccccn1 ZINC000067323658 215133930 /nfs/dbraw/zinc/13/39/30/215133930.db2.gz RZNCTZROVXRLHY-UHFFFAOYSA-N -1 0 330.731 2.690 50 0 EFAARM 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COc1cc(C(=O)N2CCC[C@](CC=C(C)C)(C(=O)[O-])C2)ccn1 ZINC000091594469 218027766 /nfs/dbraw/zinc/02/77/66/218027766.db2.gz BVNHYVPAMNPNFI-GOSISDBHSA-N -1 0 332.400 2.754 50 0 EFAARM CC(C)=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(CO)cc2)C1 ZINC000091713628 218053062 /nfs/dbraw/zinc/05/30/62/218053062.db2.gz VBKCHDYGGNBQBY-IBGZPJMESA-N -1 0 331.412 2.842 50 0 EFAARM CCC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2cccc(OC)c2OC)C1 ZINC000091792971 218066822 /nfs/dbraw/zinc/06/68/22/218066822.db2.gz SFLGSYXACPEANA-LJQANCHMSA-N -1 0 349.427 2.740 50 0 EFAARM COCc1ccc(C(=O)N2C[C@@H](c3ccccc3C)[C@H](C(=O)[O-])C2)o1 ZINC000092028632 218106297 /nfs/dbraw/zinc/10/62/97/218106297.db2.gz ARGJBIPMKIHFAJ-JKSUJKDBSA-N -1 0 343.379 2.675 50 0 EFAARM CN(C)c1ncc(-c2c(-c3ccccc3)ncn2CC(=O)[O-])s1 ZINC000091951413 218093906 /nfs/dbraw/zinc/09/39/06/218093906.db2.gz UOIXBBRIWXKJBB-UHFFFAOYSA-N -1 0 328.397 2.824 50 0 EFAARM O=C([O-])c1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1 ZINC000009695021 211116598 /nfs/dbraw/zinc/11/65/98/211116598.db2.gz VXQOZXCAZYRWLS-UHFFFAOYSA-N -1 0 325.773 2.980 50 0 EFAARM O=C([O-])c1c(Br)c(Br)cc2c1OCCO2 ZINC000033358819 304216768 /nfs/dbraw/zinc/21/67/68/304216768.db2.gz YAQJEXMCCBHATG-UHFFFAOYSA-N -1 0 337.951 2.681 50 0 EFAARM CCc1c(C)nc2c(-c3ccc(OC)c(OC)c3)c(C)[n-]n2c1=O ZINC000009136621 211044957 /nfs/dbraw/zinc/04/49/57/211044957.db2.gz OIYSKYPHMOLSON-UHFFFAOYSA-N -1 0 327.384 2.886 50 0 EFAARM CCn1ccc(C(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)n1 ZINC000095360220 218293457 /nfs/dbraw/zinc/29/34/57/218293457.db2.gz USFKFFWDCPLXEG-OAHLLOKOSA-N -1 0 327.384 2.621 50 0 EFAARM CNc1nc(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)cs1 ZINC000095360892 218293835 /nfs/dbraw/zinc/29/38/35/218293835.db2.gz IHUIJHZBMCBTDP-ZDUSSCGKSA-N -1 0 345.424 2.903 50 0 EFAARM O=C([O-])c1ccc([C@H]2CCC[N@H+](Cc3cccc(C(=O)[O-])n3)C2)cc1 ZINC000095363600 218296516 /nfs/dbraw/zinc/29/65/16/218296516.db2.gz UBTZEBAZJVCGGE-HNNXBMFYSA-N -1 0 340.379 2.858 50 0 EFAARM CCn1ccc(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)n1 ZINC000095374211 218307125 /nfs/dbraw/zinc/30/71/25/218307125.db2.gz IRPGIXLXKBVPPC-HNNXBMFYSA-N -1 0 327.384 2.621 50 0 EFAARM CCn1nccc1C(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095376633 218309369 /nfs/dbraw/zinc/30/93/69/218309369.db2.gz OCIYTPPKYJIPCS-HNNXBMFYSA-N -1 0 327.384 2.621 50 0 EFAARM CCn1nc(CC(C)C)cc1C(=O)N[C@H](C(=O)[O-])C1CCCCC1 ZINC000095504327 218417868 /nfs/dbraw/zinc/41/78/68/218417868.db2.gz PRLMOKMSXSJDJJ-INIZCTEOSA-N -1 0 335.448 2.865 50 0 EFAARM Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(OCC(=O)[O-])c2)c1 ZINC000006702230 210685552 /nfs/dbraw/zinc/68/55/52/210685552.db2.gz AOWGMAWVLSEGKY-ZDUSSCGKSA-N -1 0 329.352 2.864 50 0 EFAARM O=C([O-])c1ccc(Br)c(F)c1I ZINC000098210740 304232950 /nfs/dbraw/zinc/23/29/50/304232950.db2.gz BPZHENPVIWMSSQ-UHFFFAOYSA-N -1 0 344.905 2.891 50 0 EFAARM O=C([O-])c1ccc(N2C(=O)c3ccc(Br)cc3C2=O)cc1 ZINC000000062862 304246578 /nfs/dbraw/zinc/24/65/78/304246578.db2.gz BEGKEMFFYPWLFO-UHFFFAOYSA-N -1 0 346.136 2.948 50 0 EFAARM O=C([O-])c1ccccc1NC(=O)CCCC(=O)OCC(F)(F)F ZINC000005771768 210533738 /nfs/dbraw/zinc/53/37/38/210533738.db2.gz LBIRFYXSUCYBQS-UHFFFAOYSA-N -1 0 333.262 2.599 50 0 EFAARM COc1ccc(C[C@H](CC(=O)NCc2ccccc2)C(=O)[O-])cc1 ZINC000005720499 210524160 /nfs/dbraw/zinc/52/41/60/210524160.db2.gz JBVWLJSKQLMTPQ-MRXNPFEDSA-N -1 0 327.380 2.645 50 0 biogenic EFAARM CSCC[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)[O-] ZINC000005240935 210421154 /nfs/dbraw/zinc/42/11/54/210421154.db2.gz CEANFGJAESMPGI-NSHDSACASA-N -1 0 340.832 2.768 50 0 EFAARM O=C([O-])c1ccc2c(c1)[nH]c(=O)n(-c1cccc3ccccc31)c2=O ZINC000022151093 304253594 /nfs/dbraw/zinc/25/35/94/304253594.db2.gz VSXDUEQKPKJEOX-UHFFFAOYSA-N -1 0 332.315 2.530 50 0 EFAARM Cc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2)cc1Cl ZINC000004977036 210347151 /nfs/dbraw/zinc/34/71/51/210347151.db2.gz FNSYMWOWCVYTOI-UHFFFAOYSA-N -1 0 339.800 2.928 50 0 EFAARM O=C([O-])CSc1nnc(-c2ccccc2O)n1-c1ccccc1 ZINC000004757637 210272742 /nfs/dbraw/zinc/27/27/42/210272742.db2.gz VMRGPPQBSRMQNX-UHFFFAOYSA-N -1 0 327.365 2.817 50 0 EFAARM O=C([O-])c1cccc(N2C(=O)c3ccc(Br)cc3C2=O)c1 ZINC000000061046 304261172 /nfs/dbraw/zinc/26/11/72/304261172.db2.gz JEWZXCGPNBIYFD-UHFFFAOYSA-N -1 0 346.136 2.948 50 0 EFAARM O=C([O-])c1cccc(N2CC[C@]3(C2)CCCN(C2CCCC2)C3=O)n1 ZINC000091411531 304262494 /nfs/dbraw/zinc/26/24/94/304262494.db2.gz BENWRPHUDFAKRT-IBGZPJMESA-N -1 0 343.427 2.541 50 0 EFAARM O=C([O-])c1ccccc1C[NH2+][C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000010475479 304269378 /nfs/dbraw/zinc/26/93/78/304269378.db2.gz CQSOQFUQWGKSMA-KRWDZBQOSA-N -1 0 338.363 2.652 50 0 biogenic EFAARM O=C([O-])c1ccccc1NC(=O)[C@H]1Cc2ccc(Cl)cc2C(=O)O1 ZINC000008021131 304270636 /nfs/dbraw/zinc/27/06/36/304270636.db2.gz PRMYKJRUJSHQEO-CQSZACIVSA-N -1 0 345.738 2.758 50 0 EFAARM O=C([O-])CCc1ccc(C(=O)CN2c3ccccc3N3CCN=C23)cc1 ZINC000334162557 258016045 /nfs/dbraw/zinc/01/60/45/258016045.db2.gz ALHGUVVQMIXLDT-UHFFFAOYSA-N -1 0 349.390 2.583 50 0 EFAARM Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000299777305 258087094 /nfs/dbraw/zinc/08/70/94/258087094.db2.gz NCVUVRBDGMPYDS-INIZCTEOSA-N -1 0 341.411 2.673 50 0 EFAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)CCCn3cccn3)C2)c1 ZINC000299787824 258094536 /nfs/dbraw/zinc/09/45/36/258094536.db2.gz RCZJYUDASVRGBO-QGZVFWFLSA-N -1 0 341.411 2.768 50 0 EFAARM COc1cccc(-c2ccnc(-n3ncc(C(=O)[O-])c3C3CC3)n2)c1 ZINC000299788768 258094950 /nfs/dbraw/zinc/09/49/50/258094950.db2.gz VECQRFRWKWTUNR-UHFFFAOYSA-N -1 0 336.351 2.914 50 0 EFAARM Cc1ccc(OC2CN(C(=O)[C@H](C(=O)[O-])C3CCCCC3)C2)cc1 ZINC000299789160 258095513 /nfs/dbraw/zinc/09/55/13/258095513.db2.gz XNMKNLZGUKWXDY-QGZVFWFLSA-N -1 0 331.412 2.866 50 0 EFAARM CCOCCOc1ccccc1C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000299794316 258099429 /nfs/dbraw/zinc/09/94/29/258099429.db2.gz IVGOTLHKUYDBAO-AWEZNQCLSA-N -1 0 335.400 2.571 50 0 EFAARM O=C([O-])[C@H]1CS[C@H](c2ccc(OC(=O)c3ccccc3)cc2)N1 ZINC000004553698 258051002 /nfs/dbraw/zinc/05/10/02/258051002.db2.gz WDULMLZFVDBMJZ-HUUCEWRRSA-N -1 0 329.377 2.694 50 0 EFAARM CCOP(=O)(OCC)C(NC(=O)OC)=C([O-])c1ccccc1 ZINC000002682669 286186976 /nfs/dbraw/zinc/18/69/76/286186976.db2.gz WDWBXHJCRBUCSS-CYBMUJFWSA-N -1 0 329.289 2.818 50 0 EFAARM COc1cc(OC)c(CN(C)[C@@H](C)c2cccnc2)c(C(=O)[O-])c1 ZINC000097784893 286239696 /nfs/dbraw/zinc/23/96/96/286239696.db2.gz KQHZNSYDDLUGBN-LBPRGKRZSA-N -1 0 330.384 2.990 50 0 EFAARM CNC(=O)c1ccc([C@H]2CCCN2Cc2ncccc2C(=O)[O-])s1 ZINC000065490040 277018555 /nfs/dbraw/zinc/01/85/55/277018555.db2.gz XWKPFCADUJDFTN-CYBMUJFWSA-N -1 0 345.424 2.538 50 0 EFAARM CC(N[C@H](C)c1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000006621767 277732488 /nfs/dbraw/zinc/73/24/88/277732488.db2.gz ZXGQRUCOVFYVPO-CLBVAXQTSA-N -1 0 349.390 2.894 50 0 EFAARM CC1(C)c2sc(=O)[nH]c2S[C@@H](C(=O)[O-])[C@@H]1C(=O)c1ccccc1 ZINC000096318829 281546223 /nfs/dbraw/zinc/54/62/23/281546223.db2.gz RVXUIXBCHUNAKQ-GXSJLCMTSA-N -1 0 349.433 2.772 50 0 EFAARM CC1=C(C)C[C@H](C(=O)Nc2ccc3c(c2)OCCO3)[C@H](C(=O)[O-])C1 ZINC000006742451 281664186 /nfs/dbraw/zinc/66/41/86/281664186.db2.gz ZHHDDMVPWMBRGE-UONOGXRCSA-N -1 0 331.368 2.844 50 0 EFAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000006742448 281665038 /nfs/dbraw/zinc/66/50/38/281665038.db2.gz ZHHDDMVPWMBRGE-KGLIPLIRSA-N -1 0 331.368 2.844 50 0 EFAARM COc1ccc(F)c(F)c1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000244691529 295148236 /nfs/dbraw/zinc/14/82/36/295148236.db2.gz JELPQOCDCZBBKK-CYBMUJFWSA-N -1 0 347.317 2.625 50 0 EFAARM COc1ccc(OC)c([C@H](C)NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000239439214 295182426 /nfs/dbraw/zinc/18/24/26/295182426.db2.gz ZOZLGGUSQQPSPN-FPMFFAJLSA-N -1 0 335.400 2.772 50 0 EFAARM COc1cccc(Cl)c1[C@@H](C(=O)[O-])N(C)Cc1c(C)n[nH]c1C ZINC000095386359 295302526 /nfs/dbraw/zinc/30/25/26/295302526.db2.gz KEKBMLWNPVTKFX-HNNXBMFYSA-N -1 0 337.807 2.946 50 0 EFAARM O=S(=O)([O-])c1cccc2cccc(I)c21 ZINC000003099347 304768708 /nfs/dbraw/zinc/76/87/08/304768708.db2.gz BSKYNLNMMSJWMD-UHFFFAOYSA-N -1 0 334.134 2.691 50 0 EFAARM Cc1ccccc1[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)C[C@H]1C(=O)[O-] ZINC000091645977 302154583 /nfs/dbraw/zinc/15/45/83/302154583.db2.gz QDFHKHBIXJMISW-JKSUJKDBSA-N -1 0 349.390 2.812 50 0 EFAARM Cc1ccn2c(c1)nc1c2[C@@H](c2ccc(C(=O)[O-])s2)CC(=O)NC1 ZINC000065403536 302259174 /nfs/dbraw/zinc/25/91/74/302259174.db2.gz ZMECYNMNWYZXOQ-SNVBAGLBSA-N -1 0 341.392 2.554 50 0 EFAARM Cc1nc2sc([C@H](c3ccc(C)cc3)N3CCOCC3)c([O-])n2n1 ZINC000023156879 302685647 /nfs/dbraw/zinc/68/56/47/302685647.db2.gz YVXIGEXCAZRXJC-AWEZNQCLSA-N -1 0 344.440 2.535 50 0 EFAARM Cc1nc2sc3c(c2c2nc(/C=C/C(=O)[O-])nn21)C[C@@H](C)CC3 ZINC000002332464 302686869 /nfs/dbraw/zinc/68/68/69/302686869.db2.gz WKTBFGYDYQTBOJ-GJIOHYHPSA-N -1 0 328.397 2.870 50 0 EFAARM Cc1ncnc(N2CCC(Oc3ccccc3F)(C(=O)[O-])CC2)c1C ZINC000072431156 302719024 /nfs/dbraw/zinc/71/90/24/302719024.db2.gz IAAXMXVNJAMNSH-UHFFFAOYSA-N -1 0 345.374 2.735 50 0 EFAARM Cc1nn(C)c2nc(N3CCC(C(=O)[O-])CC3)cc(C(F)(F)F)c12 ZINC000042784464 302791135 /nfs/dbraw/zinc/79/11/35/302791135.db2.gz KWJDYDYWFGGKQA-UHFFFAOYSA-N -1 0 342.321 2.597 50 0 EFAARM CCOc1cc2c(cc1/C=C1/SC(=O)N(CC(=O)[O-])C1=O)CCC2 ZINC000095470838 473210860 /nfs/dbraw/zinc/21/08/60/473210860.db2.gz KWGQYCFKJAJUKE-RIYZIHGNSA-N -1 0 347.392 2.695 50 0 EFAARM COc1ccc2c(cc(C(=O)NCc3ccc(C(=O)[O-])s3)n2C)c1 ZINC000095510622 473217124 /nfs/dbraw/zinc/21/71/24/473217124.db2.gz VKRJNWTYYHJLGW-UHFFFAOYSA-N -1 0 344.392 2.877 50 0 EFAARM CC(C)n1cc(C(=O)N2CCc3ccccc3[C@H]2CC(=O)[O-])cn1 ZINC000095526539 473221285 /nfs/dbraw/zinc/22/12/85/473221285.db2.gz CYPUPHMORNBKCS-MRXNPFEDSA-N -1 0 327.384 2.678 50 0 EFAARM Cc1cc(C)c(S(=O)(=O)[N-]c2cnn(C3CCOCC3)c2)c(C)c1 ZINC000096123388 473308189 /nfs/dbraw/zinc/30/81/89/473308189.db2.gz JHGUBMNLJIMIRU-UHFFFAOYSA-N -1 0 349.456 2.961 50 0 EFAARM COC(=O)c1ccccc1[N-]S(=O)(=O)Cc1noc2ccccc12 ZINC000096124198 473308424 /nfs/dbraw/zinc/30/84/24/473308424.db2.gz UITLIBVPRWLVTI-UHFFFAOYSA-N -1 0 346.364 2.556 50 0 EFAARM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000000132092 471327044 /nfs/dbraw/zinc/32/70/44/471327044.db2.gz LSDGIQRHZAALQJ-UHFFFAOYSA-N -1 0 333.413 2.867 50 0 EFAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2Cc2ccccc2)cc1 ZINC000000142562 471327786 /nfs/dbraw/zinc/32/77/86/471327786.db2.gz REHJMAGOXBJGDO-WMZOPIPTSA-N -1 0 325.364 2.870 50 0 EFAARM CC(C)=CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000000149011 471329065 /nfs/dbraw/zinc/32/90/65/471329065.db2.gz QRAKNJNCKFFKRI-UHFFFAOYSA-N -1 0 335.385 2.689 50 0 EFAARM COc1ccccc1[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000000182692 471331773 /nfs/dbraw/zinc/33/17/73/471331773.db2.gz NETXAUJXYLGNPC-SJCJKPOMSA-N -1 0 337.441 2.832 50 0 EFAARM Cc1n[n-]c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc1=O ZINC000000181158 471331909 /nfs/dbraw/zinc/33/19/09/471331909.db2.gz VQGPRXXGCUEPLH-UHFFFAOYSA-N -1 0 345.211 2.511 50 0 EFAARM CC1=NN(C(=O)[N-]S(=O)(=O)c2ccccc2Cl)C(C)(C)C1 ZINC000000184841 471332409 /nfs/dbraw/zinc/33/24/09/471332409.db2.gz OPUQXJQWXFZZLC-UHFFFAOYSA-N -1 0 329.809 2.599 50 0 EFAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000000205084 471334886 /nfs/dbraw/zinc/33/48/86/471334886.db2.gz FMZQRXKMUFIYCN-CVEARBPZSA-N -1 0 327.384 2.761 50 0 EFAARM Cc1cccc(N2CCN(C(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])CC2)c1C ZINC000000204936 471334921 /nfs/dbraw/zinc/33/49/21/471334921.db2.gz ZQVWVLHRJCXSMM-IRXDYDNUSA-N -1 0 344.455 2.843 50 0 EFAARM CC(C)(C)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000248431 471340047 /nfs/dbraw/zinc/34/00/47/471340047.db2.gz RCDVRHPRTUWQJA-AWEZNQCLSA-N -1 0 325.430 2.612 50 0 EFAARM CCN(CC)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000000246283 471340151 /nfs/dbraw/zinc/34/01/51/471340151.db2.gz PJAZEADZNVJRAL-UHFFFAOYSA-N -1 0 326.201 2.722 50 0 EFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)ccc2OC)c1 ZINC000000249026 471340525 /nfs/dbraw/zinc/34/05/25/471340525.db2.gz BYDHNISDOBTOCN-UHFFFAOYSA-N -1 0 337.397 2.822 50 0 EFAARM COc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000000311283 471346619 /nfs/dbraw/zinc/34/66/19/471346619.db2.gz CIHYHBDUGLFEGB-UHFFFAOYSA-N -1 0 330.365 2.520 50 0 EFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000000339783 471349855 /nfs/dbraw/zinc/34/98/55/471349855.db2.gz IVSCICMHAPDVPW-UHFFFAOYSA-N -1 0 328.777 2.553 50 0 EFAARM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1cccc(F)c1 ZINC000000361486 471350380 /nfs/dbraw/zinc/35/03/80/471350380.db2.gz QRMFINDJVFWZRS-UHFFFAOYSA-N -1 0 332.356 2.959 50 0 EFAARM COC(=O)c1ccccc1NC(=O)[C@H]1CC[C@](C)(C(=O)[O-])C1(C)C ZINC000000354916 471350428 /nfs/dbraw/zinc/35/04/28/471350428.db2.gz TVQTWEZLNOFBGS-KZULUSFZSA-N -1 0 333.384 2.939 50 0 EFAARM O=C([O-])c1ccc(CSc2nnnn2-c2ccc(F)cc2)cc1 ZINC000000360027 471350499 /nfs/dbraw/zinc/35/04/99/471350499.db2.gz XXIHAMCWQINAKZ-UHFFFAOYSA-N -1 0 330.344 2.792 50 0 EFAARM CCc1c(C)sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1C(N)=O ZINC000000369135 471351934 /nfs/dbraw/zinc/35/19/34/471351934.db2.gz 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O=C([O-])CCCNC(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000013730113 471840842 /nfs/dbraw/zinc/84/08/42/471840842.db2.gz TUPLCHZLPZCNMH-UHFFFAOYSA-N -1 0 331.372 2.582 50 0 EFAARM O=S(=O)([N-]c1ncn(Cc2cccc(Cl)c2)n1)c1ccccc1 ZINC000014251135 471865437 /nfs/dbraw/zinc/86/54/37/471865437.db2.gz PIXUEDQDQWFJMO-UHFFFAOYSA-N -1 0 348.815 2.781 50 0 EFAARM O=C(NCCc1ccc(Cl)cc1)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000017043254 471953046 /nfs/dbraw/zinc/95/30/46/471953046.db2.gz GBAOUFGFMDXQOS-UHFFFAOYSA-N -1 0 342.782 2.860 50 0 EFAARM CC(NN1CCCCC1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000017016824 471953473 /nfs/dbraw/zinc/95/34/73/471953473.db2.gz JPSPOLNOLFUEKB-FYWRMAATSA-N -1 0 342.399 2.683 50 0 EFAARM CCn1ncc(S(=O)(=O)[N-]c2nc3c(cccc3C)s2)c1C ZINC000017070747 471955204 /nfs/dbraw/zinc/95/52/04/471955204.db2.gz ZIOZDNNLZISDRU-UHFFFAOYSA-N -1 0 336.442 2.930 50 0 EFAARM Oc1ccc(-c2n[n-]c(=S)n2-c2ccc3c(c2)OCCO3)c(O)c1 ZINC000018059248 471967890 /nfs/dbraw/zinc/96/78/90/471967890.db2.gz 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Cc1c(C(=O)[O-])cnn1-c1cc(-c2nc(C(C)(C)C)no2)ccn1 ZINC000070451542 472499136 /nfs/dbraw/zinc/49/91/36/472499136.db2.gz NFKADDYHUBIWKQ-UHFFFAOYSA-N -1 0 327.344 2.621 50 0 EFAARM CC[C@@H](C)n1c(=O)c([C@@H]2OC(=O)c3ccccc32)c([O-])[nH]c1=S ZINC000101090221 472530503 /nfs/dbraw/zinc/53/05/03/472530503.db2.gz JWWIPEZIEFRTON-PRHODGIISA-N -1 0 332.381 2.842 50 0 EFAARM CSCC[C@H](NC(=O)Cn1ccc2cc(Cl)ccc21)C(=O)[O-] ZINC000071279706 472546137 /nfs/dbraw/zinc/54/61/37/472546137.db2.gz SLMWUDZCGQUWPN-LBPRGKRZSA-N -1 0 340.832 2.617 50 0 EFAARM Cc1cc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)n(-c2ccc(F)cc2)n1 ZINC000071282268 472546742 /nfs/dbraw/zinc/54/67/42/472546742.db2.gz LDRHQBGQSUYDAY-KBPBESRZSA-N -1 0 331.347 2.615 50 0 EFAARM COc1cc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)ccc1NC(=O)C(C)C ZINC000071283350 472547386 /nfs/dbraw/zinc/54/73/86/472547386.db2.gz FKLUJGLSEQHKLD-ZIAGYGMSSA-N -1 0 348.399 2.585 50 0 EFAARM CC1(C)[C@H](C(=O)Nc2cccc(NC(=O)C3CCC3)c2)[C@@H]1C(=O)[O-] ZINC000071286328 472547738 /nfs/dbraw/zinc/54/77/38/472547738.db2.gz XDBHYJYVQZIYPE-UONOGXRCSA-N -1 0 330.384 2.721 50 0 EFAARM Cc1nnc(-c2ccc(NC(=O)Cc3ccccc3C(=O)[O-])cc2)o1 ZINC000071288875 472547995 /nfs/dbraw/zinc/54/79/95/472547995.db2.gz PKHOJUYGCNDZNT-UHFFFAOYSA-N -1 0 337.335 2.924 50 0 EFAARM COc1ccc(C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)[O-])cc1 ZINC000072233768 472636065 /nfs/dbraw/zinc/63/60/65/472636065.db2.gz AYYGDDNJPIPCPO-DZGCQCFKSA-N -1 0 335.400 2.948 50 0 EFAARM O=C([O-])c1ccc2c(c1)S[C@H](CC(=O)Nc1ccccc1)C(=O)N2 ZINC000061718534 472715030 /nfs/dbraw/zinc/71/50/30/472715030.db2.gz GGMRLIZKECFQRC-CQSZACIVSA-N -1 0 342.376 2.826 50 0 EFAARM O=C([O-])C[C@H]1Oc2ccccc2N(Cc2ccc(Cl)nc2)C1=O ZINC000063869914 472823113 /nfs/dbraw/zinc/82/31/13/472823113.db2.gz JZPAZALABKCJGQ-CYBMUJFWSA-N -1 0 332.743 2.504 50 0 EFAARM Cc1ccc(CSc2sc3c([nH]c(=O)cc3[O-])c2C(N)=O)cc1 ZINC000065363567 472927251 /nfs/dbraw/zinc/92/72/51/472927251.db2.gz PRNWIPKXZIYXIG-UHFFFAOYSA-N -1 0 346.433 2.995 50 0 EFAARM Cc1c(NCc2cccnc2)cccc1C(=O)NC(C)(C)C(=O)[O-] ZINC000065372007 472927914 /nfs/dbraw/zinc/92/79/14/472927914.db2.gz IZZWNGCHQUNNDI-UHFFFAOYSA-N -1 0 327.384 2.595 50 0 EFAARM CC1=NO[C@@](C)(Cn2cc(Oc3ccccc3)c(=O)c(C(=O)[O-])c2)C1 ZINC000065385803 472930766 /nfs/dbraw/zinc/93/07/66/472930766.db2.gz JBMYJBOBPVLAHF-GOSISDBHSA-N -1 0 342.351 2.894 50 0 EFAARM CO[C@@H](CNc1nc(N)nc2ccc(C(=O)[O-])cc21)c1cccs1 ZINC000065491086 472954172 /nfs/dbraw/zinc/95/41/72/472954172.db2.gz NGXBPAVDMKFNRK-LBPRGKRZSA-N -1 0 344.396 2.771 50 0 EFAARM Cc1ccc(CNC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@@H](C)C4)o1 ZINC000170624722 473567928 /nfs/dbraw/zinc/56/79/28/473567928.db2.gz CDEOUFJDOCHYDS-JTQLQIEISA-N -1 0 338.363 2.656 50 0 EFAARM CCC[C@@H]1CN(C(=O)c2ccccc2-c2ncc[nH]2)C[C@H]1C(=O)[O-] ZINC000215265251 474138612 /nfs/dbraw/zinc/13/86/12/474138612.db2.gz YIEKQJBHEMPISM-IUODEOHRSA-N -1 0 327.384 2.650 50 0 EFAARM Cc1cccc([C@@H](C(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)N(C)C)c1 ZINC000248150995 474270081 /nfs/dbraw/zinc/27/00/81/474270081.db2.gz JSTOJGPJQXOMHL-ZOBUZTSGSA-N -1 0 332.444 2.605 50 0 EFAARM CCOc1ccc(CCCC(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)cc1C ZINC000244724742 474564553 /nfs/dbraw/zinc/56/45/53/474564553.db2.gz MZWFECAANJDYLJ-HWWDLCQESA-N -1 0 331.412 2.505 50 0 EFAARM Cc1onc(C(=O)[O-])c1CN(Cc1ccc2c(c1)OCO2)C1CC1 ZINC000252491492 474676704 /nfs/dbraw/zinc/67/67/04/474676704.db2.gz LNKPFQNNSUUOCS-UHFFFAOYSA-N -1 0 330.340 2.575 50 0 EFAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)[nH]nc1-c1ccc(F)cc1)C(=O)[O-] ZINC000253410439 474741189 /nfs/dbraw/zinc/74/11/89/474741189.db2.gz NJBVEHFDIDGBRB-HWPZZCPQSA-N -1 0 347.390 2.682 50 0 EFAARM COc1ccc(OC)c([C@H](C)NC(=O)c2c(C)[nH]c(C(=O)[O-])c2C)c1 ZINC000426442535 477710018 /nfs/dbraw/zinc/71/00/18/477710018.db2.gz LEZMGMILBVVYQT-JTQLQIEISA-N -1 0 346.383 2.838 50 0 EFAARM Cc1cc2nc(CN(C)C(=O)[C@H]3CC[C@@H](C(=O)[O-])C3)[nH]c2cc1C ZINC000426549047 477719195 /nfs/dbraw/zinc/71/91/95/477719195.db2.gz CPCOGZVYEZAFNV-QWHCGFSZSA-N -1 0 329.400 2.639 50 0 EFAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)CCCO2 ZINC000426632870 477729826 /nfs/dbraw/zinc/72/98/26/477729826.db2.gz LFKQNQAMYNQBMD-KRWDZBQOSA-N -1 0 337.375 2.663 50 0 EFAARM CC(C)C[C@H](CC(=O)[O-])NC(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000426700131 477740923 /nfs/dbraw/zinc/74/09/23/477740923.db2.gz ZRQOKKHUAJGMCB-MRXNPFEDSA-N -1 0 348.443 2.569 50 0 EFAARM Cc1ccc(O)c(CN2Cc3[nH]c4ccccc4c3C[C@H]2C(=O)[O-])n1 ZINC000534585572 478160555 /nfs/dbraw/zinc/16/05/55/478160555.db2.gz NDSCWGAHBNBDFB-KRWDZBQOSA-N -1 0 337.379 2.588 50 0 EFAARM C[C@H](C(F)(F)F)S(=O)(=O)[N-]C(=O)CCSc1ccccc1 ZINC000585136134 479296773 /nfs/dbraw/zinc/29/67/73/479296773.db2.gz SEHGLTQIRMGUJH-SECBINFHSA-N -1 0 341.376 2.566 50 0 EFAARM CC(C)=CC(=O)N[C@H](C(=O)[O-])c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000585145983 479300060 /nfs/dbraw/zinc/30/00/60/479300060.db2.gz FZURLTFOIAXKID-KRWDZBQOSA-N -1 0 345.374 2.836 50 0 EFAARM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@H]2CCOc3ccccc32)c2ccccc21 ZINC000653330405 481231606 /nfs/dbraw/zinc/23/16/06/481231606.db2.gz FBWCEQWLXIRPBY-YESZJQIVSA-N -1 0 337.375 2.982 50 0 EFAARM CC(=O)c1cc(CN2CCC[C@@H](c3ccn(CC(=O)[O-])n3)C2)cs1 ZINC000426411537 534817601 /nfs/dbraw/zinc/81/76/01/534817601.db2.gz RPAKJIWAXUOVTD-CQSZACIVSA-N -1 0 347.440 2.611 50 0 EFAARM O=C([O-])c1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)cn1 ZINC000237998464 526361889 /nfs/dbraw/zinc/36/18/89/526361889.db2.gz VOBZVBRKYWIUST-HNNXBMFYSA-N -1 0 346.770 2.647 50 0 EFAARM Cn1cc(Br)cc1C(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000131960315 527146222 /nfs/dbraw/zinc/14/62/22/527146222.db2.gz DJGORWJTUUBXBP-NSHDSACASA-N -1 0 349.184 2.616 50 0 EFAARM CCCC[C@H](CC(=O)[O-])NC(=O)N(C)Cc1nc2ccccc2[nH]1 ZINC000426477898 534979349 /nfs/dbraw/zinc/97/93/49/534979349.db2.gz KMGRJEPLVBPBEG-GFCCVEGCSA-N -1 0 332.404 2.738 50 0 EFAARM CN(CCC(=O)Nc1ccsc1C(=O)[O-])Cc1cc(C2CC2)on1 ZINC000244719053 536308049 /nfs/dbraw/zinc/30/80/49/536308049.db2.gz LWBYCGKTKXLRIX-UHFFFAOYSA-N -1 0 349.412 2.772 50 0 EFAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cc(-c2cccs2)n[nH]1 ZINC000237993663 545569827 /nfs/dbraw/zinc/56/98/27/545569827.db2.gz QENCFGOOMFLCJA-LLVKDONJSA-N -1 0 333.413 2.998 50 0 EFAARM COCCc1nc([C@H]2CC=CCC2)n(-c2ccc(C(=O)[O-])cc2)n1 ZINC000670461329 547494460 /nfs/dbraw/zinc/49/44/60/547494460.db2.gz FGKBWEWPIHNSKX-ZDUSSCGKSA-N -1 0 327.384 2.978 50 0 EFAARM C[C@@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1ccccc1O)c3[O-] ZINC000199908545 564124841 /nfs/dbraw/zinc/12/48/41/564124841.db2.gz UOIZSJRNEWTNKQ-SNVBAGLBSA-N -1 0 336.347 2.782 50 0 EFAARM COc1ccc(CN(CCc2ccccc2)C(=O)NCC(=O)[O-])cc1 ZINC001506408970 1405754997 /nfs/dbraw/zinc/75/49/97/1405754997.db2.gz FNBJYJJUGXSFQT-UHFFFAOYSA-N -1 0 342.395 2.534 50 0 EFAARM CC[C@@H](C)N(Cc1ccncc1)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001506413899 1405758083 /nfs/dbraw/zinc/75/80/83/1405758083.db2.gz AGTGAGYUAHZYMK-CYBMUJFWSA-N -1 0 348.424 2.769 50 0 EFAARM CC[C@@H](CO)N(Cc1cccnc1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC001506414243 1405759163 /nfs/dbraw/zinc/75/91/63/1405759163.db2.gz NDVNDRDIWWMJFL-INIZCTEOSA-N -1 0 343.383 2.585 50 0 EFAARM COC[C@H](c1ccccn1)N(C)Cc1ccc(OC)c(C(=O)[O-])c1 ZINC001506421358 1405761192 /nfs/dbraw/zinc/76/11/92/1405761192.db2.gz FNVCYNCIWGHXIM-MRXNPFEDSA-N -1 0 330.384 2.608 50 0 EFAARM Cc1ncsc1CN(Cc1ccccc1)C(=O)N[C@H](C)C(=O)[O-] ZINC001506422900 1405762122 /nfs/dbraw/zinc/76/21/22/1405762122.db2.gz ATFBUZQCWQJQBK-GFCCVEGCSA-N -1 0 333.413 2.636 50 0 EFAARM O=C([O-])c1ccc(CNc2ncccc2C(=O)N2CCCC2)cc1 ZINC001704314886 1417905616 /nfs/dbraw/zinc/90/56/16/1417905616.db2.gz XHNLIXOUIDJXKX-UHFFFAOYSA-N -1 0 325.368 2.628 50 0 EFAARM CCn1nc(C(C)C)cc1C(=O)Nc1ccc(Oc2nn[n-]n2)cc1 ZINC000823599064 1446722883 /nfs/dbraw/zinc/72/28/83/1446722883.db2.gz LSZJHRAANYALTG-UHFFFAOYSA-N -1 0 341.375 2.584 50 0 EFAARM COc1ccc(C(=O)Nc2ccc(Oc3nn[n-]n3)cc2)c(C)c1 ZINC000824624890 1449544454 /nfs/dbraw/zinc/54/44/54/1449544454.db2.gz ONLGDQZQJZATLJ-UHFFFAOYSA-N -1 0 325.328 2.561 50 0 EFAARM Cc1cc(C)nc(SCc2nc(N)nc(-c3ccccc3[O-])n2)n1 ZINC000101836286 715278541 /nfs/dbraw/zinc/27/85/41/715278541.db2.gz XSYLGJWVMQLGMR-UHFFFAOYSA-N -1 0 340.412 2.526 50 0 EFAARM COC(=O)c1ccc([O-])c(Sc2cc(C(=O)OC)ccc2O)c1 ZINC000002841629 715473093 /nfs/dbraw/zinc/47/30/93/715473093.db2.gz JUPVIHIKHHWIHL-UHFFFAOYSA-N -1 0 334.349 2.822 50 0 EFAARM CCCn1c(=O)c(C(=O)NCc2ccco2)c([O-])c2ccccc21 ZINC000005686306 1097872166 /nfs/dbraw/zinc/87/21/66/1097872166.db2.gz QCYPEXMIPLWBMA-UHFFFAOYSA-N -1 0 326.352 2.640 50 0 EFAARM O=C([O-])CN(c1ccccc1)[C@H]1SC(=O)N(c2ccccc2)C1=O ZINC000004734389 210264202 /nfs/dbraw/zinc/26/42/02/210264202.db2.gz JGRQYXRSELUWFR-INIZCTEOSA-N -1 0 342.376 2.804 50 0 EFAARM O=C([O-])Cn1nc(C2CCCC2)nc1CCc1ccc2c(c1)OCO2 ZINC000097730210 219052885 /nfs/dbraw/zinc/05/28/85/219052885.db2.gz POBUJERYYSJXLR-UHFFFAOYSA-N -1 0 343.383 2.534 50 0 EFAARM O=C([O-])CN1C(=O)S/C(=C/c2cc(Br)cs2)C1=O ZINC000004690216 210249233 /nfs/dbraw/zinc/24/92/33/210249233.db2.gz PGNGWLDHKSBUFL-FARCUNLSSA-N -1 0 348.199 2.632 50 0 EFAARM COC(=O)C[C@H](NC(=O)CCC(=O)[O-])c1ccc(Cl)cc1Cl ZINC000004675825 210242961 /nfs/dbraw/zinc/24/29/61/210242961.db2.gz OVXUKMAKAMKICH-NSHDSACASA-N -1 0 348.182 2.579 50 0 EFAARM CCN1C(=O)N/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3C)o2)C1=O ZINC000004658954 210239380 /nfs/dbraw/zinc/23/93/80/210239380.db2.gz LXJDNNBQHDPHHV-NTEUORMPSA-N -1 0 340.335 2.866 50 0 EFAARM O=C([O-])[C@H]1CS[C@H](c2cccc(OC(=O)c3ccccc3)c2)N1 ZINC000004572000 210224881 /nfs/dbraw/zinc/22/48/81/210224881.db2.gz IUHBNOBWZKFEHP-HUUCEWRRSA-N -1 0 329.377 2.694 50 0 EFAARM O=C([O-])[C@@H]1CS[C@@H](c2cccc(OC(=O)c3ccccc3)c2)N1 ZINC000004571998 210224426 /nfs/dbraw/zinc/22/44/26/210224426.db2.gz IUHBNOBWZKFEHP-GJZGRUSLSA-N -1 0 329.377 2.694 50 0 EFAARM CC[C@@H]1CN(CCc2ccc(OC)c(OC)c2)C(=O)C[C@@H]1CC(=O)[O-] ZINC000004565751 210222635 /nfs/dbraw/zinc/22/26/35/210222635.db2.gz AJGVAXFKPKXRHA-HUUCEWRRSA-N -1 0 349.427 2.596 50 0 EFAARM CCOc1ccccc1N1C(=O)C[C@H](N(O)c2ccccc2)C1=O ZINC000100288904 219095742 /nfs/dbraw/zinc/09/57/42/219095742.db2.gz OEYJYVYTFSKKEI-HNNXBMFYSA-N -1 0 326.352 2.613 50 0 EFAARM O=c1c2[n-][nH]n(Cc3ccccc3)c=2c(=O)n1-c1ccccc1Cl ZINC000004483922 210200428 /nfs/dbraw/zinc/20/04/28/210200428.db2.gz RNZUMHZAKWZDKT-CABCVRRESA-N -1 0 340.770 2.833 50 0 EFAARM O=c1c2[n-][nH]n(Cc3ccccc3Cl)c=2c(=O)n1-c1ccccc1 ZINC000004483583 210199824 /nfs/dbraw/zinc/19/98/24/210199824.db2.gz NFVPDEMHSSLIQV-HUUCEWRRSA-N -1 0 340.770 2.833 50 0 EFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4)c=3c2=O)cc1 ZINC000004483627 210199598 /nfs/dbraw/zinc/19/95/98/210199598.db2.gz XFBRFKLJYBBGNZ-IAGOWNOFSA-N -1 0 334.379 2.742 50 0 EFAARM Cc1cccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1 ZINC000004483475 210199455 /nfs/dbraw/zinc/19/94/55/210199455.db2.gz KJHGNUMMYZWLOV-HOTGVXAUSA-N -1 0 338.342 2.628 50 0 EFAARM Cc1ccc(CNC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)cc1 ZINC000100621236 219102531 /nfs/dbraw/zinc/10/25/31/219102531.db2.gz ZCRYREYJXMSQJQ-UHFFFAOYSA-N -1 0 334.375 2.502 50 0 EFAARM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)s2)C1 ZINC000004419575 297232806 /nfs/dbraw/zinc/23/28/06/297232806.db2.gz UDZDCHLEOPSIID-HTQZYQBOSA-N -1 0 337.850 2.766 50 0 EFAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2cc(C)cc(C)n2)c1=O ZINC000100667922 219104491 /nfs/dbraw/zinc/10/44/91/219104491.db2.gz WLNPXJSEVZTMRI-UHFFFAOYSA-N -1 0 337.379 2.991 50 0 EFAARM Cc1ccc(OCCn2c3ccccc3nc2S(=O)(=O)[O-])cc1 ZINC000004386081 210185345 /nfs/dbraw/zinc/18/53/45/210185345.db2.gz LRXFEUCCBHBVDB-UHFFFAOYSA-N -1 0 332.381 2.670 50 0 EFAARM O=S(=O)([O-])c1nc2ccccc2n1CCOc1ccc(F)cc1 ZINC000004386079 210184600 /nfs/dbraw/zinc/18/46/00/210184600.db2.gz HDESYLVECBHVLM-UHFFFAOYSA-N -1 0 336.344 2.501 50 0 EFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(F)cc4)c=3c2=O)cc1 ZINC000101260091 219119965 /nfs/dbraw/zinc/11/99/65/219119965.db2.gz HESAHRZITPKGOZ-HOTGVXAUSA-N -1 0 338.342 2.886 50 0 EFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(F)cc4)c=3c2=O)cc1 ZINC000101417393 219126616 /nfs/dbraw/zinc/12/66/16/219126616.db2.gz MDLUUSJWJCMYRP-HOTGVXAUSA-N -1 0 338.342 2.628 50 0 EFAARM CC(C)(C)OC(=O)N1CCN([C@H](/C=C/c2ccccc2)C(=O)[O-])CC1 ZINC000004241842 210149665 /nfs/dbraw/zinc/14/96/65/210149665.db2.gz SJGWOAUBXYMANH-ZNFPLGDCSA-N -1 0 346.427 2.706 50 0 EFAARM O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)[C@H]2C=C[C@@H]1O2 ZINC000004166120 210137015 /nfs/dbraw/zinc/13/70/15/210137015.db2.gz MJMBIOUKZPOGBE-RHYQMDGZSA-N -1 0 328.151 2.586 50 0 EFAARM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004166119 210136185 /nfs/dbraw/zinc/13/61/85/210136185.db2.gz MJMBIOUKZPOGBE-KXNHARMFSA-N -1 0 328.151 2.586 50 0 EFAARM COc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1C ZINC000003855841 210080365 /nfs/dbraw/zinc/08/03/65/210080365.db2.gz OCRYUQCAMVQZEY-UHFFFAOYSA-N -1 0 335.381 2.811 50 0 EFAARM O=C([O-])c1ccc(C(=O)CN2c3ccccc3N3CCCN=C23)cc1 ZINC000067350883 215135773 /nfs/dbraw/zinc/13/57/73/215135773.db2.gz FZUMNBNESSDHHG-UHFFFAOYSA-N -1 0 335.363 2.654 50 0 EFAARM C[C@@H](c1cccs1)N(C)C(=O)c1ccc(N2CC(=O)N=C2[O-])cc1 ZINC000067605620 215167294 /nfs/dbraw/zinc/16/72/94/215167294.db2.gz WNSFCKJUUIHAJJ-NSHDSACASA-N -1 0 343.408 2.638 50 0 EFAARM COc1ccc(-n2c(CCC(=O)[O-])nc3ccccc32)cc1CO ZINC000067755739 215204281 /nfs/dbraw/zinc/20/42/81/215204281.db2.gz VTCXGPDHDURTHW-UHFFFAOYSA-N -1 0 326.352 2.544 50 0 EFAARM Cc1c(-c2nc3cc(C(=O)[O-])ccc3[nH]2)c2ccccc2n1CC(N)=O ZINC000067788482 215213985 /nfs/dbraw/zinc/21/39/85/215213985.db2.gz YRTMIBCJRFSIOB-UHFFFAOYSA-N -1 0 348.362 2.677 50 0 EFAARM Cc1c(C(=O)[O-])sc2ncnc(N(C)Cc3cc(C4CC4)n[nH]3)c12 ZINC000067855862 215233682 /nfs/dbraw/zinc/23/36/82/215233682.db2.gz YMPILAXYOBQYRQ-UHFFFAOYSA-N -1 0 343.412 2.935 50 0 EFAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1nnc(-c2cccs2)s1 ZINC000002766011 209907099 /nfs/dbraw/zinc/90/70/99/209907099.db2.gz OKHALOUFCQKNAV-DTWKUNHWSA-N -1 0 335.410 2.872 50 0 EFAARM O=C(CSc1nc2ccccc2[nH]1)Nc1cccc(C(=O)[O-])c1 ZINC000002765569 209906498 /nfs/dbraw/zinc/90/64/98/209906498.db2.gz XFQXWICQPYLELC-UHFFFAOYSA-N -1 0 327.365 2.992 50 0 EFAARM CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])c2ccc(F)cc2)CC1 ZINC000002386684 209846093 /nfs/dbraw/zinc/84/60/93/209846093.db2.gz RBVUICOGSFFJQN-AWEZNQCLSA-N -1 0 338.379 2.504 50 0 EFAARM O=C([O-])C1(Cc2ccccc2I)CCOCC1 ZINC000074934361 304030449 /nfs/dbraw/zinc/03/04/49/304030449.db2.gz KVBQKQXUUFKVAC-UHFFFAOYSA-N -1 0 346.164 2.715 50 0 EFAARM O=C([O-])C1(NC(=O)[C@H](c2ccc(F)cc2)N2CCCCC2)CCCC1 ZINC000252491953 304031995 /nfs/dbraw/zinc/03/19/95/304031995.db2.gz MAFADDKWWXYSRP-INIZCTEOSA-N -1 0 348.418 2.866 50 0 EFAARM Cc1ccc(-n2ncc3c2ncnc3Nc2cccc(C(=O)[O-])c2)cc1 ZINC000001777383 209793039 /nfs/dbraw/zinc/79/30/39/209793039.db2.gz CNZRMHVYEAFJRB-UHFFFAOYSA-N -1 0 345.362 2.988 50 0 EFAARM COc1ccc(Oc2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)cc1 ZINC000040451249 213304592 /nfs/dbraw/zinc/30/45/92/213304592.db2.gz YGNMDVDHWRCYNL-LBPRGKRZSA-N -1 0 327.336 2.925 50 0 EFAARM Cc1nn2c(ncc3c2ccn([C@H](C)C(=O)[O-])c3=O)c1-c1ccccc1 ZINC000040396273 213297488 /nfs/dbraw/zinc/29/74/88/213297488.db2.gz QTSQQRQPFYCCDI-GFCCVEGCSA-N -1 0 348.362 2.665 50 0 EFAARM O=C([O-])C1(Oc2ccccc2)CCN(C(=O)[C@@H]2CC23CCC3)CC1 ZINC000072457598 304034559 /nfs/dbraw/zinc/03/45/59/304034559.db2.gz WFONIVDUZCFMSS-HNNXBMFYSA-N -1 0 329.396 2.701 50 0 EFAARM O=C([O-])C1=C(C(=O)N[C@@H]2CCCc3ccccc32)SCCS1 ZINC000000152240 304035295 /nfs/dbraw/zinc/03/52/95/304035295.db2.gz LHFQCAHMGPGVSS-GFCCVEGCSA-N -1 0 335.450 2.956 50 0 EFAARM O=C([O-])C1=C(C(=O)N[C@H]2CCCc3ccccc32)SCCS1 ZINC000000152241 304035240 /nfs/dbraw/zinc/03/52/40/304035240.db2.gz LHFQCAHMGPGVSS-LBPRGKRZSA-N -1 0 335.450 2.956 50 0 EFAARM COc1cccc2c1ccn2CC(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000040284014 213287859 /nfs/dbraw/zinc/28/78/59/213287859.db2.gz NVQCOIGDYQUBQA-UHFFFAOYSA-N -1 0 344.411 2.657 50 0 EFAARM O=C([O-])CCCC(=O)N1CCC(c2noc3cc(F)ccc32)CC1 ZINC000036047744 213057969 /nfs/dbraw/zinc/05/79/69/213057969.db2.gz WNIJWPIOKKTCBZ-UHFFFAOYSA-N -1 0 334.347 2.928 50 0 EFAARM COc1cccc(-c2cc(C(F)F)n3nc(CCC(=O)[O-])nc3n2)c1 ZINC000035655572 213044235 /nfs/dbraw/zinc/04/42/35/213044235.db2.gz MWOGKKFPNAPMNM-UHFFFAOYSA-N -1 0 348.309 2.755 50 0 EFAARM NC(=S)c1nc(-c2ccc(Cl)cc2)oc1NCCC(=O)[O-] ZINC000035672442 213045322 /nfs/dbraw/zinc/04/53/22/213045322.db2.gz XLNIONDJWDHCPM-UHFFFAOYSA-N -1 0 325.777 2.516 50 0 EFAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000071280525 215750934 /nfs/dbraw/zinc/75/09/34/215750934.db2.gz ZFEZCKCEVAPWSE-KBPBESRZSA-N -1 0 342.351 2.827 50 0 EFAARM O=C([O-])c1ccccc1CC(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000071285628 215754413 /nfs/dbraw/zinc/75/44/13/215754413.db2.gz SCVAGSPCDJFYSW-UHFFFAOYSA-N -1 0 326.308 2.546 50 0 EFAARM O=C([O-])c1cccc(C[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1 ZINC000072130754 216020722 /nfs/dbraw/zinc/02/07/22/216020722.db2.gz KLDSMCZLTALQBG-OAHLLOKOSA-N -1 0 345.420 2.638 50 0 EFAARM Cc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)[nH]n2)c(C)c1 ZINC000072255942 216084440 /nfs/dbraw/zinc/08/44/40/216084440.db2.gz IDHFHKZOMRDSEF-UHFFFAOYSA-N -1 0 328.397 2.889 50 0 EFAARM CCOC(=O)C[C@@H](c1ccco1)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000072325830 216152199 /nfs/dbraw/zinc/15/21/99/216152199.db2.gz KUONRVHVSVIJOJ-LBPRGKRZSA-N -1 0 327.336 2.912 50 0 biogenic EFAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000005043541 304094600 /nfs/dbraw/zinc/09/46/00/304094600.db2.gz UUOHAZAKORYIHT-VQBCORBOSA-N -1 0 342.439 2.950 50 0 EFAARM CN(c1ccc(C(=O)[O-])cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000000141470 209446118 /nfs/dbraw/zinc/44/61/18/209446118.db2.gz HRDYWODQYYNECM-UHFFFAOYSA-N -1 0 325.773 2.863 50 0 EFAARM O=C([O-])[C@H]1c2[nH]cnc2CCN1Cc1cccc(C(F)(F)F)c1 ZINC000072407319 216198811 /nfs/dbraw/zinc/19/88/11/216198811.db2.gz BHWGXEAHBGINLO-CYBMUJFWSA-N -1 0 325.290 2.613 50 0 EFAARM Cc1ncccc1OC1(C(=O)[O-])CCN(C(=O)[C@H]2CC=CCC2)CC1 ZINC000072410165 216202212 /nfs/dbraw/zinc/20/22/12/216202212.db2.gz NCRDMMQPBZBENT-HNNXBMFYSA-N -1 0 344.411 2.571 50 0 EFAARM O=C([O-])C1(n2cnc3ccccc32)CCN(C(=O)c2ccccc2)CC1 ZINC000072422644 216211597 /nfs/dbraw/zinc/21/15/97/216211597.db2.gz AYDRSDOVELKSGY-UHFFFAOYSA-N -1 0 349.390 2.752 50 0 EFAARM O=C([O-])C1(n2ccc(-c3ccco3)n2)CCN(c2nccs2)CC1 ZINC000072428419 216218934 /nfs/dbraw/zinc/21/89/34/216218934.db2.gz MHXGYLYSFMHRDA-UHFFFAOYSA-N -1 0 344.396 2.680 50 0 EFAARM CSCC[C@@H](NC(=O)Cc1coc2cc(C)c(C)cc12)C(=O)[O-] ZINC000072427687 216218424 /nfs/dbraw/zinc/21/84/24/216218424.db2.gz OVLWFLXRYMNGPT-CQSZACIVSA-N -1 0 335.425 2.915 50 0 EFAARM Cc1oc(-c2cccs2)nc1CN1CCc2nc[nH]c2[C@H]1C(=O)[O-] ZINC000072434553 216229155 /nfs/dbraw/zinc/22/91/55/216229155.db2.gz OXUAOUCTPYLEHK-AWEZNQCLSA-N -1 0 344.396 2.619 50 0 EFAARM CCc1nc(C)sc1CN1CCCn2nc(CCC(=O)[O-])cc2C1 ZINC000072431613 216225459 /nfs/dbraw/zinc/22/54/59/216225459.db2.gz YZTMIGVFRNQLOJ-UHFFFAOYSA-N -1 0 348.472 2.634 50 0 EFAARM Cc1ncccc1OC1(C(=O)[O-])CCN(C(=O)c2ccsc2)CC1 ZINC000072456551 216241989 /nfs/dbraw/zinc/24/19/89/216241989.db2.gz VTZXYLWUXHYPSB-UHFFFAOYSA-N -1 0 346.408 2.590 50 0 EFAARM CCOc1ccc(-c2ccnc(NC[C@H]3CCCO3)n2)cc1C(=O)[O-] ZINC000072469298 216248856 /nfs/dbraw/zinc/24/88/56/216248856.db2.gz BSUVHISTOYRLLZ-CYBMUJFWSA-N -1 0 343.383 2.831 50 0 EFAARM CCn1ccnc1CN1CCC(Oc2cccc(F)c2)(C(=O)[O-])CC1 ZINC000072476420 216254800 /nfs/dbraw/zinc/25/48/00/216254800.db2.gz LNLKLRGVCDEMKD-UHFFFAOYSA-N -1 0 347.390 2.540 50 0 EFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(F)cc4)c=3c2=O)cc1 ZINC000023125552 212350548 /nfs/dbraw/zinc/35/05/48/212350548.db2.gz HESAHRZITPKGOZ-JKSUJKDBSA-N -1 0 338.342 2.886 50 0 EFAARM O=C([O-])C1(NC(=O)c2cccc(-c3ccc(F)cc3)c2)CCOCC1 ZINC000219505606 241392913 /nfs/dbraw/zinc/39/29/13/241392913.db2.gz LJLIBEMLKBDYMU-UHFFFAOYSA-N -1 0 343.354 2.856 50 0 EFAARM CC(C)c1ccccc1OCCNC(=O)c1ccc(C(=O)[O-])nc1 ZINC000236801446 242362874 /nfs/dbraw/zinc/36/28/74/242362874.db2.gz NJHRZVYQRICSBT-UHFFFAOYSA-N -1 0 328.368 2.712 50 0 EFAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2csc(-c3ccccc3)n2)C1 ZINC000020737141 212166792 /nfs/dbraw/zinc/16/67/92/212166792.db2.gz XTQLIKLVWAODPZ-CYBMUJFWSA-N -1 0 330.409 2.676 50 0 EFAARM O=C([O-])C1CCN(C(=O)Cc2csc(-c3ccccc3)n2)CC1 ZINC000020744900 212168873 /nfs/dbraw/zinc/16/88/73/212168873.db2.gz KNPFTHARYDWWDU-UHFFFAOYSA-N -1 0 330.409 2.676 50 0 EFAARM Cc1nc2ccccc2n1CCC(=O)N[C@@H](CC(=O)[O-])CC(C)C ZINC000252488416 243790326 /nfs/dbraw/zinc/79/03/26/243790326.db2.gz IRMCLPHBQXEHQN-CQSZACIVSA-N -1 0 331.416 2.740 50 0 EFAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(F)cc2nc[nH]c21 ZINC000262160075 304147108 /nfs/dbraw/zinc/14/71/08/304147108.db2.gz PNAXYGGRTLFQLN-IIMNLJJBSA-N -1 0 331.347 2.560 50 0 EFAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1Cc1ccc2cccc(Cl)c2n1 ZINC000097515074 304150796 /nfs/dbraw/zinc/15/07/96/304150796.db2.gz HCSBWVQWNDUDMJ-HNNXBMFYSA-N -1 0 342.786 2.623 50 0 EFAARM CC(C)OC(=O)c1ccsc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000017070865 211951320 /nfs/dbraw/zinc/95/13/20/211951320.db2.gz JITIJKRLSWQMRN-MNOVXSKESA-N -1 0 337.397 2.919 50 0 EFAARM CC(C)c1cc(C(N)=O)c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC000017071007 211951063 /nfs/dbraw/zinc/95/10/63/211951063.db2.gz RBGJUEMAKRIFQD-NXEZZACHSA-N -1 0 338.429 2.800 50 0 EFAARM O=C([O-])CCCNC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2C1 ZINC000013734264 211625877 /nfs/dbraw/zinc/62/58/77/211625877.db2.gz GHMZBEKHUPNBSA-UHFFFAOYSA-N -1 0 335.791 2.754 50 0 biogenic EFAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)CCc3cnccn3)C2)c1 ZINC000426487979 247286843 /nfs/dbraw/zinc/28/68/43/247286843.db2.gz JVUYYYBQULSDFW-INIZCTEOSA-N -1 0 339.395 2.514 50 0 EFAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc(Br)cc1 ZINC000004462147 304211303 /nfs/dbraw/zinc/21/13/03/304211303.db2.gz QKTOOJLUGWYJOZ-DTVLGXAZSA-N -1 0 336.185 2.911 50 0 EFAARM O=C([O-])c1ccc(/C=C2/NC(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000012504647 211394329 /nfs/dbraw/zinc/39/43/29/211394329.db2.gz JXKGAPJLRGRWDS-NTEUORMPSA-N -1 0 342.351 2.786 50 0 EFAARM Cc1ccn(-c2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])cc2)n1 ZINC000012463168 211389678 /nfs/dbraw/zinc/38/96/78/211389678.db2.gz KTAFSCILAPJFID-HOTGVXAUSA-N -1 0 325.368 2.786 50 0 EFAARM CN(C(=O)c1ccccc1NC(=O)/C=C/C(=O)[O-])C1CCCCC1 ZINC000012137597 211301037 /nfs/dbraw/zinc/30/10/37/211301037.db2.gz HMJAUFDPDUVZRY-VAWYXSNFSA-N -1 0 330.384 2.671 50 0 EFAARM O=C([O-])c1ccc(C[N@@H+]2C[C@@H](c3ccc(F)cc3)[C@H](C(=O)[O-])C2)cc1 ZINC000091616628 218031917 /nfs/dbraw/zinc/03/19/17/218031917.db2.gz PMFGHUXWGKTUSI-DLBZAZTESA-N -1 0 343.354 2.824 50 0 EFAARM CNC(=O)c1ccc(CNc2cc(C)nc(-c3ccccc3[O-])n2)o1 ZINC000091616932 218032596 /nfs/dbraw/zinc/03/25/96/218032596.db2.gz MJSMKZAJKSCWOD-UHFFFAOYSA-N -1 0 338.367 2.722 50 0 EFAARM Cc1ccccc1[C@@H]1CN(C(=O)CCc2ccncc2)C[C@H]1C(=O)[O-] ZINC000091595558 218029282 /nfs/dbraw/zinc/02/92/82/218029282.db2.gz BXFAWIXZYUJMQZ-ZWKOTPCHSA-N -1 0 338.407 2.649 50 0 EFAARM O=C([O-])c1cccc(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC000091643420 218036642 /nfs/dbraw/zinc/03/66/42/218036642.db2.gz KMJXPAVRBAZFTQ-DLBZAZTESA-N -1 0 325.364 2.685 50 0 EFAARM COc1cccc([C@@H]2CN(c3cc(C)ccn3)C[C@H]2C(=O)[O-])c1OC ZINC000091643899 218038099 /nfs/dbraw/zinc/03/80/99/218038099.db2.gz CAASKBWXDHYXFQ-LSDHHAIUSA-N -1 0 342.395 2.712 50 0 EFAARM O=C([O-])CC1(CNS(=O)(=O)c2ccc(F)cc2)CCCCC1 ZINC000011766650 211247127 /nfs/dbraw/zinc/24/71/27/211247127.db2.gz CFJAKYRESNAMSD-UHFFFAOYSA-N -1 0 329.393 2.529 50 0 EFAARM O=C([O-])c1nnn(-c2ccc(Br)cc2)c1-c1ccncc1 ZINC000011730677 211242088 /nfs/dbraw/zinc/24/20/88/211242088.db2.gz ZUHDZRLLABJXIF-UHFFFAOYSA-N -1 0 345.156 2.790 50 0 EFAARM CCCc1nnc([N-]S(=O)(=O)c2cc(C)ccc2OC)s1 ZINC000011615527 211226778 /nfs/dbraw/zinc/22/67/78/211226778.db2.gz SCOYVGRKKGZJCP-UHFFFAOYSA-N -1 0 327.431 2.608 50 0 EFAARM COC[C@@H](Nc1cc(C)nc(-c2ccccc2[O-])n1)c1ccnn1C ZINC000091915074 218088156 /nfs/dbraw/zinc/08/81/56/218088156.db2.gz ALANNXUCLRLZFY-CQSZACIVSA-N -1 0 339.399 2.691 50 0 EFAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc3ccccc3n2)C[C@H]1c1ccncc1 ZINC000091876759 218082192 /nfs/dbraw/zinc/08/21/92/218082192.db2.gz YBKAQKCJZNUQRW-JKSUJKDBSA-N -1 0 347.374 2.570 50 0 EFAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)c2sccc2C)C1 ZINC000091893806 218084570 /nfs/dbraw/zinc/08/45/70/218084570.db2.gz RPRUVEBOXBUZQJ-MRXNPFEDSA-N -1 0 325.430 2.790 50 0 EFAARM O=C([O-])c1ccc(C[NH2+][C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000010475478 211175597 /nfs/dbraw/zinc/17/55/97/211175597.db2.gz CZXJZGHQNJDAOB-QGZVFWFLSA-N -1 0 338.363 2.652 50 0 biogenic EFAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(NC(C)=O)c1 ZINC000010302079 211161168 /nfs/dbraw/zinc/16/11/68/211161168.db2.gz VWXPBWLWIOCUSO-UHFFFAOYSA-N -1 0 338.360 2.594 50 0 EFAARM C[C@@H]1Cc2ccccc2N1C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000010112450 211148978 /nfs/dbraw/zinc/14/89/78/211148978.db2.gz ZXKPVZRJNOUTCI-GFCCVEGCSA-N -1 0 330.409 2.650 50 0 EFAARM O=C1Cc2cc([N-]S(=O)(=O)c3ccc(Cl)s3)ccc2N1 ZINC000009572783 211103251 /nfs/dbraw/zinc/10/32/51/211103251.db2.gz WDYMKXFMGMOGKA-UHFFFAOYSA-N -1 0 328.802 2.697 50 0 EFAARM Cc1c(C)n(C(=O)CSc2nc(O)cc(=O)[nH]2)c2ccccc12 ZINC000009427485 211083069 /nfs/dbraw/zinc/08/30/69/211083069.db2.gz IHUFDMRYOYZWFV-UHFFFAOYSA-N -1 0 329.381 2.892 50 0 EFAARM COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c(C)c1C ZINC000009002239 211030024 /nfs/dbraw/zinc/03/00/24/211030024.db2.gz GXVSQIIQKOUFAL-UHFFFAOYSA-N -1 0 335.381 2.811 50 0 EFAARM COc1cc([C@@H](C(=O)[O-])N2CCSCC2)cc(C(F)(F)F)c1 ZINC000095361795 218294323 /nfs/dbraw/zinc/29/43/23/218294323.db2.gz OIWMYWCILUNONI-LBPRGKRZSA-N -1 0 335.347 2.889 50 0 EFAARM Cn1cc(Cl)c(C(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)n1 ZINC000095372697 218305483 /nfs/dbraw/zinc/30/54/83/218305483.db2.gz LZTATWVTWYNCIA-CYBMUJFWSA-N -1 0 347.802 2.792 50 0 EFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)n1cc(-c2nccs2)nn1 ZINC000095374033 218306924 /nfs/dbraw/zinc/30/69/24/218306924.db2.gz ZHTWZDHCWRBYKQ-AWEZNQCLSA-N -1 0 339.380 2.751 50 0 EFAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)c3ccn(C(F)F)n3)C2)cc1 ZINC000095378927 218311344 /nfs/dbraw/zinc/31/13/44/218311344.db2.gz RDEXOEVLSSSUFJ-ZDUSSCGKSA-N -1 0 349.337 2.996 50 0 EFAARM CCn1nc(C)cc1C(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095388451 218321050 /nfs/dbraw/zinc/32/10/50/218321050.db2.gz ZOHLRDQGTAZXSR-INIZCTEOSA-N -1 0 341.411 2.929 50 0 EFAARM CCOC(=O)Cc1c(C)nc2c(-c3ccc(Cl)cc3)c[n-]n2c1=O ZINC000008653872 210976684 /nfs/dbraw/zinc/97/66/84/210976684.db2.gz IJHBSWHVFLZRRA-UHFFFAOYSA-N -1 0 345.786 2.757 50 0 EFAARM O=C([O-])c1cc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3CC2)ccc1Cl ZINC000004156500 304225922 /nfs/dbraw/zinc/22/59/22/304225922.db2.gz IYDXRYYGRNQATP-OGXIQJDLSA-N -1 0 331.755 2.740 50 0 EFAARM CSCC[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)[O-] ZINC000006759829 210703986 /nfs/dbraw/zinc/70/39/86/210703986.db2.gz SZWNCJIYRGUMJI-HNNXBMFYSA-N -1 0 333.409 2.541 50 0 EFAARM COc1cc(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])cc(OC)c1 ZINC000006742210 210696869 /nfs/dbraw/zinc/69/68/69/210696869.db2.gz CIQOKGDPAFIBON-JKGUZNAFSA-N -1 0 333.384 2.779 50 0 EFAARM COc1ccc([C@@H](CC(=O)[O-])N2Cc3ccccc3C2=O)cc1OC ZINC000005661901 210510646 /nfs/dbraw/zinc/51/06/46/210510646.db2.gz LGAZLBWJAFUDST-OAHLLOKOSA-N -1 0 341.363 2.876 50 0 EFAARM CCOC(=O)c1c(CC)c(C)sc1NC(=O)CCCC(=O)[O-] ZINC000005477184 210471519 /nfs/dbraw/zinc/47/15/19/210471519.db2.gz JUJUXJTZKOXQFU-UHFFFAOYSA-N -1 0 327.402 2.989 50 0 EFAARM CCCSc1nc(N)c(NC(=O)c2ccc(OCC)cc2)c(=O)[n-]1 ZINC000005082001 210386722 /nfs/dbraw/zinc/38/67/22/210386722.db2.gz DDMKCQVYHFPIFC-UHFFFAOYSA-N -1 0 348.428 2.505 50 0 EFAARM CSCCc1nc(C[C@H]2CCc3ccccc32)n(CC(=O)[O-])n1 ZINC000097370338 219015646 /nfs/dbraw/zinc/01/56/46/219015646.db2.gz PQMVVCOVICLDMJ-CYBMUJFWSA-N -1 0 331.441 2.541 50 0 EFAARM O=C(N=C([O-])Nc1ccc(Br)cc1F)C(F)(F)F ZINC000004840193 210294966 /nfs/dbraw/zinc/29/49/66/210294966.db2.gz YPLSBOONKHUVCC-UHFFFAOYSA-N -1 0 329.047 2.799 50 0 EFAARM COc1ccccc1C(=O)Nc1cc(OC)c(OC)cc1C(=O)[O-] ZINC000004825491 210289099 /nfs/dbraw/zinc/28/90/99/210289099.db2.gz PJCMZTSHOULJIS-UHFFFAOYSA-N -1 0 331.324 2.663 50 0 EFAARM CC(=O)Oc1ccc(NC(=O)COc2cccc(C)c2)c(C(=O)[O-])c1 ZINC000004824887 210288706 /nfs/dbraw/zinc/28/87/06/210288706.db2.gz SAESECYUACJLMS-UHFFFAOYSA-N -1 0 343.335 2.636 50 0 EFAARM COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)[O-])c(OC)c1C ZINC000004760345 210272598 /nfs/dbraw/zinc/27/25/98/210272598.db2.gz OAXFWUCHCVLSKG-RVDMUPIBSA-N -1 0 341.363 2.868 50 0 EFAARM CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000004760080 210271759 /nfs/dbraw/zinc/27/17/59/210271759.db2.gz FBVSXKMMQOZUNU-NSHDSACASA-N -1 0 346.424 2.659 50 0 EFAARM O=c1c2sccc2n2c([S-])nnc2n1Cc1ccc(F)cc1 ZINC000067349567 285216074 /nfs/dbraw/zinc/21/60/74/285216074.db2.gz SIMOICXUUZSXSD-UHFFFAOYSA-N -1 0 332.385 2.582 50 0 EFAARM CC[C@@H](C)[C@@H](NC(=O)Cc1ccc2c(c1)CCC(C)(C)O2)C(=O)[O-] ZINC000334162789 258016140 /nfs/dbraw/zinc/01/61/40/258016140.db2.gz ZJYOXWYWXNGDPU-SJKOYZFVSA-N -1 0 333.428 2.948 50 0 EFAARM COc1ccc(C[C@@H](CC(=O)[O-])C(=O)NCc2ccccc2)cc1 ZINC000000031889 258047213 /nfs/dbraw/zinc/04/72/13/258047213.db2.gz QZTJIZBNHSMLFO-INIZCTEOSA-N -1 0 327.380 2.645 50 0 biogenic EFAARM COCc1c(C(=O)[O-])c(=O)cc(C)n1CCc1ccccc1Cl ZINC000299774900 258085692 /nfs/dbraw/zinc/08/56/92/258085692.db2.gz IKKLGGZSGQJYPR-UHFFFAOYSA-N -1 0 335.787 2.897 50 0 EFAARM O=C([O-])[C@@H](C(=O)NCc1c[nH]nc1-c1ccccc1)C1CCCCC1 ZINC000299780956 258089407 /nfs/dbraw/zinc/08/94/07/258089407.db2.gz BYGJHGAWRNXQRA-MRXNPFEDSA-N -1 0 341.411 2.974 50 0 EFAARM CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)N2c1cccc(C(=O)[O-])n1 ZINC000299803752 258105917 /nfs/dbraw/zinc/10/59/17/258105917.db2.gz AQEPDVVCPJTANM-XYYAHUGASA-N -1 0 347.415 2.804 50 0 EFAARM COc1cccc(C[N@@H+]2CCC[C@@H](Nc3ncccc3C(=O)[O-])C2)c1 ZINC000072477828 258064719 /nfs/dbraw/zinc/06/47/19/258064719.db2.gz KPCIKMPZZPNLPP-OAHLLOKOSA-N -1 0 341.411 2.865 50 0 EFAARM COc1cccc(CN2Cc3ccccc3N(CC(=O)[O-])C2=O)c1 ZINC000299758091 258075866 /nfs/dbraw/zinc/07/58/66/258075866.db2.gz BEEFUBBJEIISKK-UHFFFAOYSA-N -1 0 326.352 2.722 50 0 EFAARM O=C([O-])C[C@@]1(c2ccccc2Cl)CC(=O)N(C2CCCC2)C1=O ZINC000299765242 258080147 /nfs/dbraw/zinc/08/01/47/258080147.db2.gz DFMXPQJABFGKBI-QGZVFWFLSA-N -1 0 335.787 2.754 50 0 EFAARM C[C@H](c1ccc(-c2ccc(CC(=O)[O-])cn2)cc1)N1CCOCC1 ZINC000215429646 299622645 /nfs/dbraw/zinc/62/26/45/299622645.db2.gz DZTFFSJHBWETNI-CQSZACIVSA-N -1 0 326.396 2.769 50 0 EFAARM COC(=O)c1ccccc1NC(=O)[C@@H]1CC(C)=C[C@H](C)[C@@H]1C(=O)[O-] ZINC000005954573 292025406 /nfs/dbraw/zinc/02/54/06/292025406.db2.gz VCPDVWFFARSXHH-LNSITVRQSA-N -1 0 331.368 2.715 50 0 EFAARM Cc1ccc(N2C(C)=CC(=C3C(=O)[N-]C(=O)NC3=O)C=C2C)c(C)c1 ZINC000010274592 292129010 /nfs/dbraw/zinc/12/90/10/292129010.db2.gz KTPJPDJZYQAARX-UHFFFAOYSA-N -1 0 337.379 2.594 50 0 EFAARM CC(Nc1ccc(F)cc1)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000009109719 275401901 /nfs/dbraw/zinc/40/19/01/275401901.db2.gz RNHHRIVIAUSDOC-PTNGSMBKSA-N -1 0 345.374 2.923 50 0 EFAARM CC1=CC(=C2C(=O)[N-]C(=O)NC2=O)C=C(C)N1c1ccc(Cl)cc1 ZINC000002996610 276177652 /nfs/dbraw/zinc/17/76/52/276177652.db2.gz GGECEEYXFGHNDP-UHFFFAOYSA-N -1 0 343.770 2.630 50 0 EFAARM CC(=O)Nc1ccc(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])cc1 ZINC000006725584 278199742 /nfs/dbraw/zinc/19/97/42/278199742.db2.gz NJQCPDAOZOUKIB-TUHYSUIHSA-N -1 0 330.384 2.721 50 0 EFAARM CC(C)(C)OC(=O)N1CCCN([C@H](C(=O)[O-])c2cccs2)CC1 ZINC000002527343 278389612 /nfs/dbraw/zinc/38/96/12/278389612.db2.gz UOTHVHCXBJCCAF-ZDUSSCGKSA-N -1 0 340.445 2.817 50 0 EFAARM CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(F)c2)CC1 ZINC000004241742 278399798 /nfs/dbraw/zinc/39/97/98/278399798.db2.gz PPGHGFHJSQSOJP-CQSZACIVSA-N -1 0 338.379 2.504 50 0 EFAARM CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000004241739 278399801 /nfs/dbraw/zinc/39/98/01/278399801.db2.gz ZSGKIKRNLJANGA-CQSZACIVSA-N -1 0 338.379 2.504 50 0 EFAARM CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000052508241 278444480 /nfs/dbraw/zinc/44/44/80/278444480.db2.gz ZHOWDGHEJAOBGL-GHMZBOCLSA-N -1 0 344.408 2.569 50 0 EFAARM CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002560859 279188610 /nfs/dbraw/zinc/18/86/10/279188610.db2.gz PBTNVAYSJPRTLQ-STQMWFEESA-N -1 0 344.452 2.541 50 0 EFAARM CC1(C)c2cc(Cl)ccc2-n2c1cc1oc(=O)cc([O-])c1c2=O ZINC000000068469 281544522 /nfs/dbraw/zinc/54/45/22/281544522.db2.gz VOHXNWXMPTXGGV-UHFFFAOYSA-N -1 0 329.739 2.942 50 0 EFAARM CCc1cc(C(=O)OC)c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000000214884 288520560 /nfs/dbraw/zinc/52/05/60/288520560.db2.gz VMQUYEBCLBBMKM-MNOVXSKESA-N -1 0 339.413 2.927 50 0 EFAARM COc1cc(OC)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1Cl ZINC000006698811 295006254 /nfs/dbraw/zinc/00/62/54/295006254.db2.gz GKAHNKIYDIQFAB-VHSXEESVSA-N -1 0 339.775 2.963 50 0 EFAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2C)cc1OC ZINC000004563116 295252415 /nfs/dbraw/zinc/25/24/15/295252415.db2.gz XUQJNDQSMMLBJS-IRXDYDNUSA-N -1 0 341.363 2.699 50 0 EFAARM Cc1c2c(cc(=O)n1Cc1cccs1)[n-]n(-c1ccccc1)c2=O ZINC000003765659 301015007 /nfs/dbraw/zinc/01/50/07/301015007.db2.gz KQWPBXREZDLGMX-UHFFFAOYSA-N -1 0 337.404 2.899 50 0 EFAARM Cc1ccc(N2C(=O)C(=Cc3ccc(C(=O)[O-])cc3)NC2=S)cc1 ZINC000003261538 301622200 /nfs/dbraw/zinc/62/22/00/301622200.db2.gz OWHXDNVZQVNGLA-GDNBJRDFSA-N -1 0 338.388 2.955 50 0 EFAARM Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)Nc1ccc(C(=O)[O-])cc1)C2 ZINC000010435216 301877698 /nfs/dbraw/zinc/87/76/98/301877698.db2.gz DETJWDCEVYCTRA-IBGZPJMESA-N -1 0 339.347 2.804 50 0 EFAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)c1cc2c(s1)CCCCC2)C(=O)[O-] ZINC000067726670 302494633 /nfs/dbraw/zinc/49/46/33/302494633.db2.gz UFKJWFMGSFCAJD-OAHLLOKOSA-N -1 0 347.440 2.913 50 0 EFAARM Cc1nc2sc3c(c2c2nc(/C=C/C(=O)[O-])nn21)CC[C@H](C)C3 ZINC000002236351 302686996 /nfs/dbraw/zinc/68/69/96/302686996.db2.gz MAYIFKYRRIXUBI-GJIOHYHPSA-N -1 0 328.397 2.870 50 0 EFAARM Cc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)nc1 ZINC000000030282 462540119 /nfs/dbraw/zinc/54/01/19/462540119.db2.gz GLGNCWRNFKYAJB-UHFFFAOYSA-N -1 0 327.203 2.953 50 0 EFAARM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]c1cccc(C)n1 ZINC000044920804 462541400 /nfs/dbraw/zinc/54/14/00/462541400.db2.gz YPVAVMJDMQMDRO-UHFFFAOYSA-N -1 0 346.817 2.692 50 0 EFAARM COc1cc(S(=O)(=O)[N-]c2ncccc2C)c(OC)cc1Cl ZINC000006482586 462686730 /nfs/dbraw/zinc/68/67/30/462686730.db2.gz OUNNXBXHDIYBMU-UHFFFAOYSA-N -1 0 342.804 2.861 50 0 EFAARM CN(C)[C@H](C(=O)NCc1ccc(C(=O)[O-])s1)c1cccc(F)c1 ZINC000095505559 473215860 /nfs/dbraw/zinc/21/58/60/473215860.db2.gz GJDXTKVAZZTPCN-AWEZNQCLSA-N -1 0 336.388 2.505 50 0 EFAARM O=C([O-])C1(Oc2cccc(F)c2)CCN(c2ccncc2F)CC1 ZINC000082096424 473287211 /nfs/dbraw/zinc/28/72/11/473287211.db2.gz VXQQZNMFEXYQBN-UHFFFAOYSA-N -1 0 334.322 2.862 50 0 EFAARM Cc1ccc(S(=O)(=O)[N-]c2c(C)nc(N(C)C)nc2C)cc1C ZINC000096098606 473294316 /nfs/dbraw/zinc/29/43/16/473294316.db2.gz VSIJAAWQJKUVIU-UHFFFAOYSA-N -1 0 334.445 2.577 50 0 EFAARM Cc1nc(N2CCCC2)nc(C)c1[N-]S(=O)(=O)c1cccs1 ZINC000096098623 473295075 /nfs/dbraw/zinc/29/50/75/473295075.db2.gz YNEPKKJIOHFDPI-UHFFFAOYSA-N -1 0 338.458 2.556 50 0 EFAARM O=C([O-])c1nnn(-c2ccc(F)cc2)c1-c1ccc2c(c1)OCO2 ZINC000082237894 473298906 /nfs/dbraw/zinc/29/89/06/473298906.db2.gz HGADRYOIFNKZSP-UHFFFAOYSA-N -1 0 327.271 2.500 50 0 EFAARM Cc1ccc(S(=O)(=O)[N-]c2cnn(C3CCOCC3)c2)cc1C ZINC000096123391 473308738 /nfs/dbraw/zinc/30/87/38/473308738.db2.gz SHMSXEYIRAYDKD-UHFFFAOYSA-N -1 0 335.429 2.652 50 0 EFAARM O=C(CSCc1n[nH]c(=O)[n-]1)n1c2ccccc2c2c1CCCC2 ZINC000096191822 473333022 /nfs/dbraw/zinc/33/30/22/473333022.db2.gz KCLHGTQERGIPBH-UHFFFAOYSA-N -1 0 342.424 2.505 50 0 EFAARM COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1C(=O)[O-] ZINC000000007778 471317749 /nfs/dbraw/zinc/31/77/49/471317749.db2.gz XOKVHFNTYHPEHN-UHFFFAOYSA-N -1 0 348.307 2.692 50 0 biogenic,in-vivo EFAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(F)(F)F)cs2)cc1 ZINC000000083114 471320359 /nfs/dbraw/zinc/32/03/59/471320359.db2.gz UYDCDUZYAAMNOA-UHFFFAOYSA-N -1 0 338.332 2.971 50 0 EFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1 ZINC000000081744 471321122 /nfs/dbraw/zinc/32/11/22/471321122.db2.gz NTAADPKKIRHPSK-UHFFFAOYSA-N -1 0 325.361 2.952 50 0 EFAARM Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c(C)c1 ZINC000000096976 471323322 /nfs/dbraw/zinc/32/33/22/471323322.db2.gz MCPGDJAYKWIXBN-HNNXBMFYSA-N -1 0 333.409 2.798 50 0 EFAARM COC(=O)c1c(C)c(Br)c([O-])c(Br)c1O ZINC000000156307 471328875 /nfs/dbraw/zinc/32/88/75/471328875.db2.gz OKALYLLBFOYLQB-UHFFFAOYSA-N -1 0 339.967 2.718 50 0 EFAARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(O)c1 ZINC000000179599 471331308 /nfs/dbraw/zinc/33/13/08/471331308.db2.gz YGTUQFWHSVGJON-ZROIWOOFSA-N -1 0 342.738 2.712 50 0 EFAARM O=C([O-])C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 ZINC000000249152 471340660 /nfs/dbraw/zinc/34/06/60/471340660.db2.gz PKPITNALFNRYTK-NEPJUHHUSA-N -1 0 331.290 2.914 50 0 EFAARM O=C([O-])/C(=C\c1ccc(Br)cc1)NC(=O)c1ccco1 ZINC000000264816 471341700 /nfs/dbraw/zinc/34/17/00/471341700.db2.gz VWHVVFHJHFMCCL-DHZHZOJOSA-N -1 0 336.141 2.898 50 0 EFAARM COc1ccccc1C(=O)NC(=S)Nc1ccccc1C(=O)[O-] ZINC000000309981 471345659 /nfs/dbraw/zinc/34/56/59/471345659.db2.gz MCBBHNBWGYSRDL-UHFFFAOYSA-N -1 0 330.365 2.520 50 0 EFAARM CC[C@@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)[O-] ZINC000000351505 471349293 /nfs/dbraw/zinc/34/92/93/471349293.db2.gz NMVOTSMEGVSCEK-ABAIWWIYSA-N -1 0 344.367 2.761 50 0 EFAARM COc1cc(C(=O)Nc2ccccc2C(=O)[O-])ccc1OC(C)=O ZINC000000367703 471351805 /nfs/dbraw/zinc/35/18/05/471351805.db2.gz MPFILPXDDNSZGT-UHFFFAOYSA-N -1 0 329.308 2.571 50 0 EFAARM O=c1c2cc(F)ccc2[n-]c(=S)n1Cc1ccc2c(c1)OCO2 ZINC000000425298 471357472 /nfs/dbraw/zinc/35/74/72/471357472.db2.gz JBNMOYFMOBTJIQ-UHFFFAOYSA-N -1 0 330.340 2.975 50 0 EFAARM O=C([O-])CCC(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1 ZINC000000424293 471357552 /nfs/dbraw/zinc/35/75/52/471357552.db2.gz YSFVHRQTDRWXMV-UHFFFAOYSA-N -1 0 344.348 2.720 50 0 EFAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1cccs1)c2=O ZINC000000425241 471358120 /nfs/dbraw/zinc/35/81/20/471358120.db2.gz NCNCSODOZHYXSY-UHFFFAOYSA-N -1 0 332.406 2.955 50 0 EFAARM COc1cc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)cc(Cl)c1O ZINC000000435472 471360268 /nfs/dbraw/zinc/36/02/68/471360268.db2.gz KFNUKOIHAILMFC-KPKJPENVSA-N -1 0 344.754 2.516 50 0 EFAARM COc1cccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccco3)C2)c1 ZINC000000521499 471367945 /nfs/dbraw/zinc/36/79/45/471367945.db2.gz RVJYLHOQKNZBAI-OAHLLOKOSA-N -1 0 342.351 2.831 50 0 EFAARM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000000582630 471373128 /nfs/dbraw/zinc/37/31/28/471373128.db2.gz DSYGAHRSEODPMH-UHFFFAOYSA-N -1 0 325.773 2.927 50 0 EFAARM Cc1cc2ncn(C[C@@H](O)COc3cccc(C(=O)[O-])c3)c2cc1C ZINC000000857484 471377907 /nfs/dbraw/zinc/37/79/07/471377907.db2.gz JWIVYIDXVXMFEQ-OAHLLOKOSA-N -1 0 340.379 2.791 50 0 EFAARM COc1cccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)c1 ZINC000001323120 471385255 /nfs/dbraw/zinc/38/52/55/471385255.db2.gz LSDBDWSMZHEWAV-UHFFFAOYSA-N -1 0 336.347 2.524 50 0 EFAARM Cc1ccc(N(CCC(=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000001509954 471392053 /nfs/dbraw/zinc/39/20/53/471392053.db2.gz CTLWAQRJLXJDLC-UHFFFAOYSA-N -1 0 333.409 2.973 50 0 EFAARM Cc1ccccc1Oc1ccc(S(=O)(=O)NCCCC(=O)[O-])cc1 ZINC000001795972 471398361 /nfs/dbraw/zinc/39/83/61/471398361.db2.gz NGDRFVMLGQUPOV-UHFFFAOYSA-N -1 0 349.408 2.930 50 0 EFAARM CC(C)(C)c1ccc(S(=O)(=O)NCCCCCC(=O)[O-])cc1 ZINC000001773976 471398456 /nfs/dbraw/zinc/39/84/56/471398456.db2.gz DCJRKLKJNYYTDC-UHFFFAOYSA-N -1 0 327.446 2.907 50 0 biogenic EFAARM CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000002244127 471403963 /nfs/dbraw/zinc/40/39/63/471403963.db2.gz FBUDYESOPLBQIR-LLVKDONJSA-N -1 0 344.205 2.970 50 0 EFAARM COc1ccc(-c2nc3ccc(Cl)cc3n2OCC(=O)[O-])cc1 ZINC000002508521 471410208 /nfs/dbraw/zinc/41/02/08/471410208.db2.gz ZVEYIAXIVFNKJM-UHFFFAOYSA-N -1 0 332.743 2.879 50 0 EFAARM Nc1c(CC(=O)[O-])cccc1C(=O)c1ccc(Br)cc1 ZINC000002570817 471411083 /nfs/dbraw/zinc/41/10/83/471411083.db2.gz ZBPLOVFIXSTCRZ-UHFFFAOYSA-N -1 0 334.169 2.889 50 0 fda EFAARM COc1ccc2[nH]cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])c2c1 ZINC000002583093 471411486 /nfs/dbraw/zinc/41/14/86/471411486.db2.gz RFEFILRKWWZSFK-CQSZACIVSA-N -1 0 334.372 2.697 50 0 EFAARM CCCCc1ccc(NC(=O)CSc2nnc(C)c(=O)[n-]2)cc1 ZINC000002606623 471412353 /nfs/dbraw/zinc/41/23/53/471412353.db2.gz XIPCYVHHPGKKFS-UHFFFAOYSA-N -1 0 332.429 2.959 50 0 EFAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O ZINC000002624943 471413983 /nfs/dbraw/zinc/41/39/83/471413983.db2.gz JSSWUGKMGVSLDV-UHFFFAOYSA-N -1 0 327.745 2.545 50 0 EFAARM CCc1cccc(C)c1NC(=O)C[C@@H](NCc1ccco1)C(=O)[O-] ZINC000002698093 471417320 /nfs/dbraw/zinc/41/73/20/471417320.db2.gz NQXDJLKNSVVSLB-OAHLLOKOSA-N -1 0 330.384 2.722 50 0 EFAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)c(C)s2)cc1 ZINC000002766922 471420343 /nfs/dbraw/zinc/42/03/43/471420343.db2.gz OSFZQQZMGVJRMP-UHFFFAOYSA-N -1 0 325.415 2.519 50 0 EFAARM O=S(=O)([N-]c1ccn(Cc2cccc(F)c2)n1)c1cccs1 ZINC000002790369 471421339 /nfs/dbraw/zinc/42/13/39/471421339.db2.gz GXIJHBIGFCAGJG-UHFFFAOYSA-N -1 0 337.401 2.933 50 0 EFAARM COC(=O)c1c(NC(=O)/C=C(\C)C(=O)[O-])sc2c1CC[C@H](C)C2 ZINC000002783152 471421733 /nfs/dbraw/zinc/42/17/33/471421733.db2.gz OKPPJNQZQYHZNK-INTFFVIUSA-N -1 0 337.397 2.629 50 0 EFAARM O=C([O-])c1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 ZINC000002833569 471423417 /nfs/dbraw/zinc/42/34/17/471423417.db2.gz DMVKQMRMAPOWOL-OQLLNIDSSA-N -1 0 340.310 2.617 50 0 EFAARM O=S(=O)([N-]C(=S)NC1CCCCC1)c1ccc(Cl)s1 ZINC000002861247 471425057 /nfs/dbraw/zinc/42/50/57/471425057.db2.gz HXPXETDBVRYFAH-UHFFFAOYSA-N -1 0 338.907 2.887 50 0 EFAARM Cc1ccccc1N(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000002866512 471425297 /nfs/dbraw/zinc/42/52/97/471425297.db2.gz ZYODIQRMHJSTLJ-UHFFFAOYSA-N -1 0 339.800 2.928 50 0 EFAARM COC(=O)c1ccccc1NC(=O)[C@@H]1CC[C@@](C)(C(=O)[O-])C1(C)C ZINC000002904162 471427616 /nfs/dbraw/zinc/42/76/16/471427616.db2.gz TVQTWEZLNOFBGS-SGTLLEGYSA-N -1 0 333.384 2.939 50 0 EFAARM Cc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)[O-])cc1 ZINC000003180329 471434515 /nfs/dbraw/zinc/43/45/15/471434515.db2.gz LZTVABFKIFINKQ-KRWDZBQOSA-N -1 0 345.420 2.758 50 0 EFAARM CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000003208134 471436234 /nfs/dbraw/zinc/43/62/34/471436234.db2.gz NAZKDUFIGADRGV-UHFFFAOYSA-N -1 0 325.773 2.863 50 0 EFAARM Cc1n[n-]c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nc1=O ZINC000003249040 471438685 /nfs/dbraw/zinc/43/86/85/471438685.db2.gz RRGDQDSMZIIUGO-UHFFFAOYSA-N -1 0 345.211 2.511 50 0 EFAARM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000005329000 471499843 /nfs/dbraw/zinc/49/98/43/471499843.db2.gz DSEATZQWFHDPDE-UHFFFAOYSA-N -1 0 336.438 2.848 50 0 EFAARM COc1ccc(Cc2cc(OC)c(OC)cc2CC(=O)[O-])cc1OC ZINC000005558914 471510966 /nfs/dbraw/zinc/51/09/66/471510966.db2.gz OUUSKTSUJRVZEU-UHFFFAOYSA-N -1 0 346.379 2.939 50 0 EFAARM CC(=O)Nc1ccc(/C=C/c2nc(N)nc(-c3ccccc3[O-])n2)cc1 ZINC000005577765 471512315 /nfs/dbraw/zinc/51/23/15/471512315.db2.gz UVXJERYWMOQWIJ-DHZHZOJOSA-N -1 0 347.378 2.955 50 0 EFAARM COC(=O)c1nn(-c2ccc(Oc3ccccc3)cc2)c(=O)cc1[O-] ZINC000005700599 471517926 /nfs/dbraw/zinc/51/79/26/471517926.db2.gz WBTBPKIFYAMOBF-UHFFFAOYSA-N -1 0 338.319 2.517 50 0 EFAARM O=C(CSc1n[n-]c(=S)s1)n1c(=O)sc2ccccc21 ZINC000005739984 471518308 /nfs/dbraw/zinc/51/83/08/471518308.db2.gz YFHIYBHIZUTJGF-UHFFFAOYSA-N -1 0 341.464 2.636 50 0 EFAARM COc1ccc(-n2c(SCC(=O)[O-])nnc2-c2cccnc2)cc1 ZINC000005738698 471518631 /nfs/dbraw/zinc/51/86/31/471518631.db2.gz XCKPYNYQYXIVMA-UHFFFAOYSA-N -1 0 342.380 2.515 50 0 EFAARM COc1ccccc1C(=O)NC(=S)Nc1cccc(C(=O)[O-])c1 ZINC000005880595 471524665 /nfs/dbraw/zinc/52/46/65/471524665.db2.gz XUWDTTBQRFLBPM-UHFFFAOYSA-N -1 0 330.365 2.520 50 0 EFAARM COc1ccc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])cc1OC ZINC000006742248 471564109 /nfs/dbraw/zinc/56/41/09/471564109.db2.gz IGPCJVJBACPIDN-VVUBSENTSA-N -1 0 333.384 2.779 50 0 EFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000006913906 471578164 /nfs/dbraw/zinc/57/81/64/471578164.db2.gz BPJBUENLDZKZAA-UHFFFAOYSA-N -1 0 325.411 2.952 50 0 EFAARM Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)cc1C ZINC000007362052 471608419 /nfs/dbraw/zinc/60/84/19/471608419.db2.gz KUDWAQYHLQLMMY-UHFFFAOYSA-N -1 0 349.408 2.876 50 0 EFAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000008104782 471663380 /nfs/dbraw/zinc/66/33/80/471663380.db2.gz PDEDZJHGDZTQGN-UHFFFAOYSA-N -1 0 326.324 2.724 50 0 EFAARM COc1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c(C)cc1C ZINC000008714935 471699669 /nfs/dbraw/zinc/69/96/69/471699669.db2.gz IQVYOSLCMJOSFE-UHFFFAOYSA-N -1 0 335.381 2.811 50 0 EFAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccc(C)o1)c2=O ZINC000012415768 471775408 /nfs/dbraw/zinc/77/54/08/471775408.db2.gz FHLJGWKENGOGSM-UHFFFAOYSA-N -1 0 330.365 2.795 50 0 EFAARM O=C(Nc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1)C1CC1 ZINC000012561087 471782967 /nfs/dbraw/zinc/78/29/67/471782967.db2.gz WRSAWOWVJWGUED-UHFFFAOYSA-N -1 0 334.372 2.975 50 0 EFAARM CCOc1cccc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)c1 ZINC000013669961 471837259 /nfs/dbraw/zinc/83/72/59/471837259.db2.gz VLDQEYAPDSUKDL-UHFFFAOYSA-N -1 0 334.397 2.709 50 0 EFAARM Cc1c(C(=O)Nc2ccc(C(=O)[O-])cc2)nnn1-c1ccc(F)cc1 ZINC000013691327 471839042 /nfs/dbraw/zinc/83/90/42/471839042.db2.gz HXSWVEJOKMSEIB-UHFFFAOYSA-N -1 0 340.314 2.665 50 0 EFAARM COc1ccc(Cc2n[n-]c(Nc3ccc(F)cc3)nc2=O)cc1 ZINC000016777305 471949971 /nfs/dbraw/zinc/94/99/71/471949971.db2.gz JNDXGDMLTIMGPI-UHFFFAOYSA-N -1 0 326.331 2.647 50 0 EFAARM COc1ccc(-c2c(C)[n-]n3c2nc2c(c3=O)CCC2)cc1OC ZINC000017045235 471954237 /nfs/dbraw/zinc/95/42/37/471954237.db2.gz IOFJIYJUTJDQAE-UHFFFAOYSA-N -1 0 325.368 2.504 50 0 EFAARM O=C(CSc1nc([O-])cc(=O)[nH]1)Nc1c(Cl)cccc1Cl ZINC000017072048 471956610 /nfs/dbraw/zinc/95/66/10/471956610.db2.gz HGICTQZYDKXZTR-UHFFFAOYSA-N -1 0 346.195 2.513 50 0 EFAARM COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)[O-])c(OC)c1C ZINC000017327888 471960959 /nfs/dbraw/zinc/96/09/59/471960959.db2.gz OAXFWUCHCVLSKG-PTNGSMBKSA-N -1 0 341.363 2.868 50 0 EFAARM CC(C)Oc1cnc([N-]S(=O)(=O)c2ccc(Cl)cc2)nc1 ZINC000019909859 471985916 /nfs/dbraw/zinc/98/59/16/471985916.db2.gz JYULRLAZTVQMSB-UHFFFAOYSA-N -1 0 327.793 2.718 50 0 EFAARM O=C([O-])c1ccc(OC(F)(F)F)c(I)c1 ZINC000034781183 471991640 /nfs/dbraw/zinc/99/16/40/471991640.db2.gz HDYICWVGSFIFDM-UHFFFAOYSA-N -1 0 332.015 2.888 50 0 EFAARM C[C@H](c1ccccc1)n1c(SCC(=O)[O-])nnc1-c1cnccn1 ZINC000067770703 472087570 /nfs/dbraw/zinc/08/75/70/472087570.db2.gz AYRRZKYXGXBNQQ-LLVKDONJSA-N -1 0 341.396 2.521 50 0 EFAARM Cc1cc([C@@H](O)CC[N-]S(=O)(=O)c2c(F)cccc2F)c(C)o1 ZINC000085561819 472258863 /nfs/dbraw/zinc/25/88/63/472258863.db2.gz JIFVXCRMQHDJIV-AWEZNQCLSA-N -1 0 345.367 2.577 50 0 EFAARM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000044254882 472292607 /nfs/dbraw/zinc/29/26/07/472292607.db2.gz CGUYFKVTOCDKPD-UHFFFAOYSA-N -1 0 342.779 2.640 50 0 EFAARM CCn1cc(CN(C)Cc2nccs2)c2cc(C(=O)[O-])ncc21 ZINC000097076632 472431552 /nfs/dbraw/zinc/43/15/52/472431552.db2.gz PNHBPIPQKKAQND-UHFFFAOYSA-N -1 0 330.413 2.843 50 0 EFAARM Cc1cc(N2CCCC2)nc2ccc(NC(=O)CCC(=O)[O-])cc12 ZINC000032916839 472481130 /nfs/dbraw/zinc/48/11/30/472481130.db2.gz NUZKOTZNMRMDJO-UHFFFAOYSA-N -1 0 327.384 2.947 50 0 EFAARM Cc1cc2cccc(-c3nc([C@H]4CCOC4)nn3CC(=O)[O-])c2o1 ZINC000097217708 472482917 /nfs/dbraw/zinc/48/29/17/472482917.db2.gz ZVTAHYFBGSJLGS-LBPRGKRZSA-N -1 0 327.340 2.588 50 0 EFAARM O=C([O-])c1ccccc1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000071280486 472545980 /nfs/dbraw/zinc/54/59/80/472545980.db2.gz VWLLNVWHZDXNAI-UHFFFAOYSA-N -1 0 338.363 2.693 50 0 EFAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cccc(NC(=O)C2CCC2)c1 ZINC000071286332 472547140 /nfs/dbraw/zinc/54/71/40/472547140.db2.gz XDBHYJYVQZIYPE-KBPBESRZSA-N -1 0 330.384 2.721 50 0 EFAARM CC(C)c1nc(-c2ccc(NC(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)cc2)n[nH]1 ZINC000071287730 472547157 /nfs/dbraw/zinc/54/71/57/472547157.db2.gz GEKXMZNQRGKABI-OLZOCXBDSA-N -1 0 342.399 2.890 50 0 EFAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1nnc(CCc2ccccc2)s1 ZINC000071285956 472547676 /nfs/dbraw/zinc/54/76/76/472547676.db2.gz KWPNEKARMCKPQU-CHWSQXEVSA-N -1 0 345.424 2.619 50 0 EFAARM Nc1ccnc(N2CCC[C@@](Cc3cccc(Cl)c3)(C(=O)[O-])C2)n1 ZINC000071404078 472550918 /nfs/dbraw/zinc/55/09/18/472550918.db2.gz AYKPFKQETGKZMP-KRWDZBQOSA-N -1 0 346.818 2.626 50 0 EFAARM Cc1cc(N2CCO[C@@H](C(F)(F)F)C2)nc(-c2ccccc2[O-])n1 ZINC000071755260 472560268 /nfs/dbraw/zinc/56/02/68/472560268.db2.gz FALXYAUFJGPROB-CYBMUJFWSA-N -1 0 339.317 2.925 50 0 EFAARM O=C([O-])c1ccnc(-c2ccnc(COc3cccc(F)c3)n2)c1 ZINC000071755529 472560424 /nfs/dbraw/zinc/56/04/24/472560424.db2.gz YJDGYEFLNFPBAZ-UHFFFAOYSA-N -1 0 325.299 2.955 50 0 EFAARM Cc1[n-]n([C@H]2CCS(=O)(=O)C2)c(=O)c1Cc1ccc(C(C)C)cc1 ZINC000061718731 472715612 /nfs/dbraw/zinc/71/56/12/472715612.db2.gz YOYZGKIJBAHAFB-INIZCTEOSA-N -1 0 348.468 2.559 50 0 EFAARM CC(C)n1c(SCC(=O)[O-])nnc1-c1ccc2c(c1)OCCCO2 ZINC000064986914 472890497 /nfs/dbraw/zinc/89/04/97/472890497.db2.gz KYGTXQUWUWMEGA-UHFFFAOYSA-N -1 0 349.412 2.864 50 0 EFAARM COc1cccc(-c2c(C(=O)[O-])nnn2Cc2cccc(F)c2)c1 ZINC000065288284 472922257 /nfs/dbraw/zinc/92/22/57/472922257.db2.gz AMFRWPBNSNUQHS-UHFFFAOYSA-N -1 0 327.315 2.839 50 0 EFAARM O=S(=O)([O-])c1nc2c(cc(Cl)cc2Br)s1 ZINC000065337145 472925815 /nfs/dbraw/zinc/92/58/15/472925815.db2.gz GQWSIKFJVYXVCT-UHFFFAOYSA-N -1 0 328.596 2.959 50 0 EFAARM O=C(NCCc1ccc(F)cc1)c1csc([N-]c2ncccn2)n1 ZINC000049032240 472926872 /nfs/dbraw/zinc/92/68/72/472926872.db2.gz NPLSDTOCETXYLJ-UHFFFAOYSA-N -1 0 343.387 2.788 50 0 EFAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Cn1ccc2ccc(F)cc21 ZINC000065362506 472927063 /nfs/dbraw/zinc/92/70/63/472927063.db2.gz ATKINTXKKGBJRD-MRXNPFEDSA-N -1 0 340.354 2.593 50 0 EFAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(Cl)c(NC(=O)c3ccco3)c2)C1 ZINC000065397107 472933971 /nfs/dbraw/zinc/93/39/71/472933971.db2.gz WMZLRXYJEVFDGD-VIFPVBQESA-N -1 0 348.742 2.623 50 0 EFAARM CCN(C(=O)c1ccccc1NCC(=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000065506087 472960320 /nfs/dbraw/zinc/96/03/20/472960320.db2.gz WZJUHCWLHHLBMY-CYBMUJFWSA-N -1 0 334.416 2.603 50 0 EFAARM Cn1nc(C(C)(C)C)c2c1NC(=O)C[C@H]2c1ccc(C(=O)[O-])s1 ZINC000065530936 472968875 /nfs/dbraw/zinc/96/88/75/472968875.db2.gz JKQCRXYCESVXOR-QMMMGPOBSA-N -1 0 333.413 2.951 50 0 EFAARM CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000136706961 473172922 /nfs/dbraw/zinc/17/29/22/473172922.db2.gz ALCSQSVVHTYNRZ-INIZCTEOSA-N -1 0 329.352 2.657 50 0 EFAARM COc1cccc(OC2CN(C(=O)Cc3ccc(O)c(Cl)c3)C2)c1 ZINC000219750950 474148329 /nfs/dbraw/zinc/14/83/29/474148329.db2.gz YVPPMICHOBYDBA-UHFFFAOYSA-N -1 0 347.798 2.887 50 0 EFAARM COc1ccc(Cn2cc(-c3nc(C(=O)[O-])ccc3OC)cn2)cc1 ZINC000223874829 474191445 /nfs/dbraw/zinc/19/14/45/474191445.db2.gz RQMZIUOJBUPWGA-UHFFFAOYSA-N -1 0 339.351 2.709 50 0 EFAARM O=C([O-])[C@@H]1CCC[C@@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3[C@@H](O)[C@@H]12 ZINC000239562583 474546602 /nfs/dbraw/zinc/54/66/02/474546602.db2.gz FAJGWXJPBTUEOP-FOZOQYKESA-N -1 0 340.423 2.559 50 0 EFAARM O=C([O-])c1cc(F)c(Br)cc1I ZINC000307327835 474813596 /nfs/dbraw/zinc/81/35/96/474813596.db2.gz PAGMQCQYZMJHSO-UHFFFAOYSA-N -1 0 344.905 2.891 50 0 EFAARM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)[C@H]1CCCCO1 ZINC000312489379 474849153 /nfs/dbraw/zinc/84/91/53/474849153.db2.gz VXNJKSYWMFGRGE-GFCCVEGCSA-N -1 0 342.189 2.963 50 0 EFAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1coc(Br)c1 ZINC000299388456 476140715 /nfs/dbraw/zinc/14/07/15/476140715.db2.gz ZNDSTUZYBGNKLG-IEBDPFPHSA-N -1 0 342.189 2.900 50 0 EFAARM Cc1ccc2c(cc(C(=O)NCCc3nc(C(=O)[O-])cs3)n2C)c1 ZINC000426412274 477707152 /nfs/dbraw/zinc/70/71/52/477707152.db2.gz LNVDAWJDSFMZGQ-UHFFFAOYSA-N -1 0 343.408 2.614 50 0 EFAARM O=C([O-])c1ccnc(-c2cccc(C(=O)NCC[C@H]3CCOC3)c2)c1 ZINC000426552420 477720117 /nfs/dbraw/zinc/72/01/17/477720117.db2.gz YPWYZBLKTGHEGW-ZDUSSCGKSA-N -1 0 340.379 2.603 50 0 EFAARM CC(C)(CO)CNC(=O)c1ccc(-c2ccccc2C(=O)[O-])cc1 ZINC000584894317 479273886 /nfs/dbraw/zinc/27/38/86/479273886.db2.gz MJBUUMBBXIRASY-UHFFFAOYSA-N -1 0 327.380 2.800 50 0 EFAARM Cc1cc(-c2ccc(C(=O)N3CCOCC3)cc2)nc(C)c1C(=O)[O-] ZINC000584894559 479274654 /nfs/dbraw/zinc/27/46/54/479274654.db2.gz GVXCUFCKAZAZAN-UHFFFAOYSA-N -1 0 340.379 2.536 50 0 EFAARM O=C(N[C@H](c1nnn[n-]1)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000585145902 479299884 /nfs/dbraw/zinc/29/98/84/479299884.db2.gz DTXBIRHENWIYDQ-ZDUSSCGKSA-N -1 0 347.300 2.738 50 0 EFAARM COc1cc(-c2oc3cc(C)[nH]c(=O)c3c2CC(=O)[O-])ccc1O ZINC000604404121 479514275 /nfs/dbraw/zinc/51/42/75/479514275.db2.gz CQZFNEYBFBTQGA-UHFFFAOYSA-N -1 0 329.308 2.850 50 0 biogenic EFAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)CSc2cccc(OC)c2)C1 ZINC000244866669 523546602 /nfs/dbraw/zinc/54/66/02/523546602.db2.gz WAJVDGJAKHNTBP-KRWDZBQOSA-N -1 0 337.441 2.891 50 0 EFAARM CC(=O)c1cccc(OCCCC(=O)N2CCC[C@H]2CC(=O)[O-])c1 ZINC000263007008 534894010 /nfs/dbraw/zinc/89/40/10/534894010.db2.gz RSIYHXPPVRRNHG-HNNXBMFYSA-N -1 0 333.384 2.514 50 0 EFAARM CCCC[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000170623877 528857188 /nfs/dbraw/zinc/85/71/88/528857188.db2.gz LJNGTDKTAQJAFI-LLVKDONJSA-N -1 0 339.335 2.627 50 0 EFAARM COc1ccccc1OC1(C(=O)[O-])CCN(c2ncccc2F)CC1 ZINC000082086537 537088313 /nfs/dbraw/zinc/08/83/13/537088313.db2.gz KLMFKQILDZFYJP-UHFFFAOYSA-N -1 0 346.358 2.732 50 0 EFAARM O=C([O-])c1csc(I)c1Br ZINC000616583141 546404220 /nfs/dbraw/zinc/40/42/20/546404220.db2.gz XHFASLQEXCVAMY-UHFFFAOYSA-N -1 0 332.944 2.813 50 0 EFAARM COc1cc(-c2oc3cc([O-])cc(O)c3c(=O)c2OC)ccc1O ZINC000005999148 560204336 /nfs/dbraw/zinc/20/43/36/560204336.db2.gz FMEHGPQTMOPUGM-UHFFFAOYSA-N -1 0 330.292 2.594 50 0 biogenic,in-vitro EFAARM C[C@@H](ONC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000709067895 568417135 /nfs/dbraw/zinc/41/71/35/568417135.db2.gz LLTVQTCVRBPRME-LLVKDONJSA-N -1 0 327.336 2.930 50 0 EFAARM CC/C=C\C[C@H](O)[C@@H](O)/C=C/[C@H](O)CCCCCCCC(=O)[O-] ZINC000035454832 574414308 /nfs/dbraw/zinc/41/43/08/574414308.db2.gz MKYUCBXUUSZMQB-HYAXQORXSA-N -1 0 328.449 2.797 50 0 endogenous,in-man EFAARM CCOc1ccccc1CN(Cc1cnc(C(=O)[O-])cn1)C1CC1 ZINC001772702602 1249285386 /nfs/dbraw/zinc/28/53/86/1249285386.db2.gz HOFQJDUKYYHVRX-UHFFFAOYSA-N -1 0 327.384 2.738 50 0 EFAARM O=C([O-])[C@@]12CN(C(=O)Nc3ccc4ccccc4c3)C[C@@H]1COCC2 ZINC001772702385 1249286022 /nfs/dbraw/zinc/28/60/22/1249286022.db2.gz RSNATMJHGHKEGC-BEFAXECRSA-N -1 0 340.379 2.795 50 0 EFAARM Cc1nc(CN(CC(=O)[O-])C(=O)c2ccc(CC(C)C)cc2)c[nH]1 ZINC001772703726 1249286691 /nfs/dbraw/zinc/28/66/91/1249286691.db2.gz DNEZRICCLGYQKD-UHFFFAOYSA-N -1 0 329.400 2.644 50 0 EFAARM O=C([O-])c1cc2n(n1)CCN(Cc1ccc(-c3ccccn3)cc1)C2 ZINC000065459753 1272216048 /nfs/dbraw/zinc/21/60/48/1272216048.db2.gz ATTLDSQBUIVSBJ-UHFFFAOYSA-N -1 0 334.379 2.659 50 0 EFAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2cc(C)ccc2C)C1 ZINC000219598913 1277069310 /nfs/dbraw/zinc/06/93/10/1277069310.db2.gz JWSUKIGWUDQSHU-LJQANCHMSA-N -1 0 333.428 2.576 50 0 EFAARM COc1cccc(C)c1C(=O)NCCOc1cccc(C(=O)[O-])c1 ZINC000952976297 1284950252 /nfs/dbraw/zinc/95/02/52/1284950252.db2.gz FEKOOSOPEXXFQW-UHFFFAOYSA-N -1 0 329.352 2.511 50 0 EFAARM CSCC[C@H](NC(=O)/C=C/c1nc2ccccc2s1)C(=O)[O-] ZINC000952983847 1284980365 /nfs/dbraw/zinc/98/03/65/1284980365.db2.gz RYVFBRNQHRJTRW-MLRMMBSGSA-N -1 0 336.438 2.632 50 0 EFAARM Cc1cc(C)n([C@@H]2CCN(c3nc4c(cc3C(=O)[O-])CCC4)C2)n1 ZINC000096141872 1292777299 /nfs/dbraw/zinc/77/72/99/1292777299.db2.gz XLYXASAEMKNFJB-CQSZACIVSA-N -1 0 326.400 2.533 50 0 EFAARM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N1CC(Oc2cccc(C)c2)C1 ZINC001506418779 1405760187 /nfs/dbraw/zinc/76/01/87/1405760187.db2.gz SVNRKCJXVQPEQW-UHFFFAOYSA-N -1 0 328.368 2.542 50 0 EFAARM O=C(c1cc(=O)c2cccc(F)c2[n-]1)N1CCC[C@]2(CCC[C@H]2O)C1 ZINC001704304404 1417902126 /nfs/dbraw/zinc/90/21/26/1417902126.db2.gz NFIPTHLEHPRKTD-VQIMIIECSA-N -1 0 344.386 2.847 50 0 EFAARM CCOc1cc(CNc2ccccc2-c2nn[n-]n2)ccc1OC ZINC000006659253 1423448006 /nfs/dbraw/zinc/44/80/06/1423448006.db2.gz ZEVXNOCJKUXYHK-UHFFFAOYSA-N -1 0 325.372 2.886 50 0 EFAARM CCCn1ccnc1-c1nccn1-c1cc(-c2nn[n-]n2)ccc1C ZINC000072424800 1423515728 /nfs/dbraw/zinc/51/57/28/1423515728.db2.gz WVBDNDHNWFSHCQ-UHFFFAOYSA-N -1 0 334.387 2.634 50 0 EFAARM Cc1ccc2c(c1)CCCN2C(=O)CNc1ccccc1-c1nn[n-]n1 ZINC000065506244 1423782550 /nfs/dbraw/zinc/78/25/50/1423782550.db2.gz RUJPESOVNOEMON-UHFFFAOYSA-N -1 0 348.410 2.566 50 0 EFAARM CCc1ccccc1-c1cn(Cc2cccc(-c3nn[n-]n3)c2)nn1 ZINC000091707020 1423909834 /nfs/dbraw/zinc/90/98/34/1423909834.db2.gz LKXZSLOUWSSCIF-UHFFFAOYSA-N -1 0 331.383 2.736 50 0 EFAARM CS(=O)(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@H]1c1ccc(F)cc1 ZINC000022215362 714016602 /nfs/dbraw/zinc/01/66/02/714016602.db2.gz FDQXBEJKROSSAB-AWEZNQCLSA-N -1 0 347.367 2.728 50 0 EFAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2cc(C)cc(C)n2)c1=O ZINC000000492329 718024516 /nfs/dbraw/zinc/02/45/16/718024516.db2.gz PWXPKUBYBIXQGF-UHFFFAOYSA-N -1 0 337.379 2.991 50 0 EFAARM O=C([O-])CCCNc1ccc(S(=O)(=O)Nc2ccccc2)cc1 ZINC000003683372 718408931 /nfs/dbraw/zinc/40/89/31/718408931.db2.gz NVUVKESBULBGQP-UHFFFAOYSA-N -1 0 334.397 2.764 50 0 EFAARM O=C([O-])[C@@H](NC(=O)N(Cc1cccnc1)C1CCCCC1)C1CC1 ZINC000828540381 939220628 /nfs/dbraw/zinc/22/06/28/939220628.db2.gz CVEZZHCGTSPTQJ-INIZCTEOSA-N -1 0 331.416 2.789 50 0 EFAARM CCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2N)c1=O ZINC000004321162 1096482333 /nfs/dbraw/zinc/48/23/33/1096482333.db2.gz SMODDHFQAXFBAM-UHFFFAOYSA-N -1 0 337.379 2.952 50 0 EFAARM COc1ccc([C@H]2[C@H](C(=O)[O-])c3ccccc3C(=O)N2C)cc1OC ZINC000004563114 210222586 /nfs/dbraw/zinc/22/25/86/210222586.db2.gz XUQJNDQSMMLBJS-SJORKVTESA-N -1 0 341.363 2.699 50 0 EFAARM COc1ccc([C@@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2C)cc1OC ZINC000004563115 210222368 /nfs/dbraw/zinc/22/23/68/210222368.db2.gz XUQJNDQSMMLBJS-DLBZAZTESA-N -1 0 341.363 2.699 50 0 EFAARM Cc1nn2c([n-]1)nc(CSc1nc3ccccc3s1)cc2=O ZINC000100786094 219106672 /nfs/dbraw/zinc/10/66/72/219106672.db2.gz XDVLKAZZVYQALR-UHFFFAOYSA-N -1 0 329.410 2.628 50 0 EFAARM O=c1c2c(nc3[n-]c(SCc4ccccc4Cl)nn31)CCC2 ZINC000101139302 219117111 /nfs/dbraw/zinc/11/71/11/219117111.db2.gz HQXJCTPTAYVYIC-UHFFFAOYSA-N -1 0 332.816 2.852 50 0 EFAARM Cc1ccc(-n2ncc3c2ncnc3Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000008837415 201762207 /nfs/dbraw/zinc/76/22/07/201762207.db2.gz SCJVGNCNASVWDJ-UHFFFAOYSA-N -1 0 345.362 2.988 50 0 EFAARM O=C([O-])c1cccc(OCc2nnnn2-c2ccc(Cl)cc2)c1 ZINC000009304366 201774148 /nfs/dbraw/zinc/77/41/48/201774148.db2.gz UJJQXFBFVIJMEU-UHFFFAOYSA-N -1 0 330.731 2.593 50 0 EFAARM CCOc1cc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])ccc1OC ZINC000011958839 201820521 /nfs/dbraw/zinc/82/05/21/201820521.db2.gz RBRDIYKYNDAOAY-UONOGXRCSA-N -1 0 335.400 2.601 50 0 EFAARM CCCNC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000012403790 201844858 /nfs/dbraw/zinc/84/48/58/201844858.db2.gz LXHLXOMDHLBJJA-HUUCEWRRSA-N -1 0 332.400 2.656 50 0 EFAARM CCCc1cc(=O)n2[n-]c(C)c(-c3ccc(OC)c(OC)c3)c2n1 ZINC000017057094 201984298 /nfs/dbraw/zinc/98/42/98/201984298.db2.gz MVUAOTPSWKNNMQ-UHFFFAOYSA-N -1 0 327.384 2.968 50 0 EFAARM O=C([O-])C1(Oc2ccccc2F)CCN(C(=O)c2ccccc2)CC1 ZINC000072430398 304034702 /nfs/dbraw/zinc/03/47/02/304034702.db2.gz YKTIZFFUHWZHCY-UHFFFAOYSA-N -1 0 343.354 2.964 50 0 EFAARM CC[C@@]1(c2ccccc2)C(=O)[N-]C(=O)N(CN2CCCCC2)C1=O ZINC000019799255 202020295 /nfs/dbraw/zinc/02/02/95/202020295.db2.gz ZTYRCJNTGWMELW-GOSISDBHSA-N -1 0 329.400 2.697 50 0 EFAARM O=C([O-])C1CCN(c2ncnc3ccc(Br)cc32)CC1 ZINC000000151570 304042661 /nfs/dbraw/zinc/04/26/61/304042661.db2.gz YRSWJSHMAGWBCE-UHFFFAOYSA-N -1 0 336.189 2.693 50 0 EFAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000020285199 202036544 /nfs/dbraw/zinc/03/65/44/202036544.db2.gz ZAVLSGJNCZPQRC-ZCFIWIBFSA-N -1 0 344.241 2.540 50 0 EFAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2csc(-c3ccccc3)n2)C1 ZINC000020737145 202053625 /nfs/dbraw/zinc/05/36/25/202053625.db2.gz XTQLIKLVWAODPZ-ZDUSSCGKSA-N -1 0 330.409 2.676 50 0 EFAARM O=C([O-])C1CCN(C(=O)Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000020722316 202053809 /nfs/dbraw/zinc/05/38/09/202053809.db2.gz RQJZFLCCLNQGCT-UHFFFAOYSA-N -1 0 348.399 2.815 50 0 EFAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)[NH+]1CCC(C(=O)[O-])CC1 ZINC000020727768 202053931 /nfs/dbraw/zinc/05/39/31/202053931.db2.gz QCXSOIBXLPIJTE-CQSZACIVSA-N -1 0 336.775 2.744 50 0 EFAARM CCCCN1CNc2c(c(=O)[n-]c(=S)n2-c2cccc(C)n2)C1 ZINC000020567367 202049426 /nfs/dbraw/zinc/04/94/26/202049426.db2.gz DEMMSQOIWMNLMZ-UHFFFAOYSA-N -1 0 331.445 2.584 50 0 EFAARM COc1ccc(C(C)(C)C)cc1NC(=O)c1nn(C)cc1C(=O)[O-] ZINC000020614467 202051295 /nfs/dbraw/zinc/05/12/95/202051295.db2.gz NZYSTPJAHJSRIT-UHFFFAOYSA-N -1 0 331.372 2.677 50 0 EFAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1 ZINC000020614861 202051612 /nfs/dbraw/zinc/05/16/12/202051612.db2.gz STFKHTHFWUPXMQ-UHFFFAOYSA-N -1 0 346.343 2.633 50 0 EFAARM Cc1c2ccccc2oc(=O)c1C(=O)NCc1ccc(C(=O)[O-])cc1 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/nfs/dbraw/zinc/24/95/16/241249516.db2.gz CKSXZCIYSGSTHC-HNNXBMFYSA-N -1 0 345.782 2.626 50 0 EFAARM Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])cc1 ZINC000000323624 201460770 /nfs/dbraw/zinc/46/07/70/201460770.db2.gz KGGQQAQHEMCAKI-HNNXBMFYSA-N -1 0 347.436 2.907 50 0 EFAARM CN(CC(=O)NC1(CC(=O)[O-])CCCCC1)Cc1ccc(F)cc1 ZINC000218948801 241352397 /nfs/dbraw/zinc/35/23/97/241352397.db2.gz BQZPBLXOKQNKRX-UHFFFAOYSA-N -1 0 336.407 2.551 50 0 EFAARM COc1ccc(C2=NN(C(=O)/C=C/C(=O)[O-])[C@H](c3ccco3)C2)cc1 ZINC000000532072 201484894 /nfs/dbraw/zinc/48/48/94/201484894.db2.gz NQLYUAYENQNLLV-HVHJFMEUSA-N -1 0 340.335 2.607 50 0 EFAARM O=C([O-])c1ccc2c(c1)S[C@@H](CC(=O)Nc1ccccc1)C(=O)N2 ZINC000061718535 202789973 /nfs/dbraw/zinc/78/99/73/202789973.db2.gz GGMRLIZKECFQRC-AWEZNQCLSA-N -1 0 342.376 2.826 50 0 EFAARM CCOC(=O)[C@@](CCC(=O)[O-])(CCC(C)C)c1csc(N)n1 ZINC000002350717 201529293 /nfs/dbraw/zinc/52/92/93/201529293.db2.gz ZLGWGYVHTJHKGV-OAHLLOKOSA-N -1 0 328.434 2.827 50 0 EFAARM Cc1cc(N)n(-c2ccc(Oc3ccccc3)cc2S(=O)(=O)[O-])n1 ZINC000002981283 201553784 /nfs/dbraw/zinc/55/37/84/201553784.db2.gz WSWHSEOXFVVWRC-UHFFFAOYSA-N -1 0 345.380 2.802 50 0 EFAARM CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1OC ZINC000003259163 201561648 /nfs/dbraw/zinc/56/16/48/201561648.db2.gz AZHRJYOFEPZEIF-UHFFFAOYSA-N -1 0 349.408 2.604 50 0 EFAARM Cn1ccnc1SCC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000003277448 201563457 /nfs/dbraw/zinc/56/34/57/201563457.db2.gz AHBHBNXIQLXFJC-UHFFFAOYSA-N -1 0 325.777 2.503 50 0 EFAARM Cc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1 ZINC000004483479 201601356 /nfs/dbraw/zinc/60/13/56/201601356.db2.gz QZXPZXURUSPHTR-CVEARBPZSA-N -1 0 338.342 2.628 50 0 EFAARM O=C([O-])CCSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000004292090 201596282 /nfs/dbraw/zinc/59/62/82/201596282.db2.gz JKXGLKQBRZTEFD-UHFFFAOYSA-N -1 0 326.381 2.896 50 0 EFAARM CN1C(=O)S/C(=C\c2cccn2-c2ccc(C(=O)[O-])cc2)C1=O ZINC000004711869 201613407 /nfs/dbraw/zinc/61/34/07/201613407.db2.gz NHBDMKHSQXVPKS-LCYFTJDESA-N -1 0 328.349 2.842 50 0 EFAARM Cn1c2ccc(CNc3ccc(Cl)c(C(=O)[O-])c3)cc2n(C)c1=O ZINC000004999805 201632975 /nfs/dbraw/zinc/63/29/75/201632975.db2.gz RTDQPBLCOQDRRL-UHFFFAOYSA-N -1 0 345.786 2.841 50 0 EFAARM Cc1[nH]c(C(=O)N(C)Cc2[nH]nc3c2CCCCC3)c(C)c1C(=O)[O-] ZINC000244773810 243080085 /nfs/dbraw/zinc/08/00/85/243080085.db2.gz PGZHSEAKIXHSRP-UHFFFAOYSA-N -1 0 344.415 2.594 50 0 EFAARM CCCc1cc(C(N)=O)c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC000017071012 284105892 /nfs/dbraw/zinc/10/58/92/284105892.db2.gz KSRZPBJWXFQPAM-GHMZBOCLSA-N -1 0 338.429 2.629 50 0 EFAARM O=C([O-])C1(CCOc2ccccc2)CCN(c2ncccn2)CC1 ZINC000071763073 203109945 /nfs/dbraw/zinc/10/99/45/203109945.db2.gz VJMFDOAVCUKJJX-UHFFFAOYSA-N -1 0 327.384 2.617 50 0 EFAARM O=C([O-])[C@]1(Cc2ccc(F)cc2F)CCCN(c2cnccn2)C1 ZINC000071762008 203111187 /nfs/dbraw/zinc/11/11/87/203111187.db2.gz ZXSYQAYTWXESNK-KRWDZBQOSA-N -1 0 333.338 2.669 50 0 EFAARM COc1ccc(C)cc1-c1csc2nc(C)n(CC(=O)[O-])c(=O)c12 ZINC000020377474 212123566 /nfs/dbraw/zinc/12/35/66/212123566.db2.gz APRUJLMTEUPFLG-UHFFFAOYSA-N -1 0 344.392 2.835 50 0 EFAARM COc1cc(C)c(CN2CCn3nc(CCC(=O)[O-])cc3C2)cc1C ZINC000072145967 203169128 /nfs/dbraw/zinc/16/91/28/203169128.db2.gz XICUFWSZYJKUOU-UHFFFAOYSA-N -1 0 343.427 2.542 50 0 EFAARM COCc1noc(-c2ccc(-c3ccc(CCC(=O)[O-])cc3)nc2)n1 ZINC000072145590 203169661 /nfs/dbraw/zinc/16/96/61/203169661.db2.gz YBUHKZVEBUHTID-UHFFFAOYSA-N -1 0 339.351 2.962 50 0 EFAARM O=C([O-])c1cccc(C[C@H]2CCN(C(=O)CCn3cccc3)C2)c1 ZINC000072151778 203173090 /nfs/dbraw/zinc/17/30/90/203173090.db2.gz VJIIVLHFWCOSLW-MRXNPFEDSA-N -1 0 326.396 2.668 50 0 EFAARM CCn1c(CCCc2ccc(OC)c(C)c2)nnc1SCC(=O)[O-] ZINC000072328135 203200792 /nfs/dbraw/zinc/20/07/92/203200792.db2.gz RFBMIXBIIPBAJH-UHFFFAOYSA-N -1 0 349.456 2.967 50 0 EFAARM Cc1ccoc1C(=O)N1CCC(Oc2ccccc2F)(C(=O)[O-])CC1 ZINC000072462747 203227749 /nfs/dbraw/zinc/22/77/49/203227749.db2.gz IZNPODGKNWSFCM-UHFFFAOYSA-N -1 0 347.342 2.866 50 0 EFAARM CCc1ocnc1C(=O)N1CC[C@@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072473499 203230340 /nfs/dbraw/zinc/23/03/40/203230340.db2.gz ZNXTWMDLBGOSNO-ZDUSSCGKSA-N -1 0 328.368 2.640 50 0 EFAARM CC(C)c1nc(-c2ccccc2NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)n[nH]1 ZINC000072401295 203214441 /nfs/dbraw/zinc/21/44/41/203214441.db2.gz JWCARFZCBORIHB-QWHCGFSZSA-N -1 0 342.399 2.890 50 0 EFAARM O=C([O-])CCCNC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000072401112 203214851 /nfs/dbraw/zinc/21/48/51/203214851.db2.gz IAFCDMFCIALAPR-UHFFFAOYSA-N -1 0 335.363 2.891 50 0 EFAARM Cc1ccc(F)c(OC2(C(=O)[O-])CCN(C(=O)NC(C)C)CC2)c1 ZINC000072419455 203218366 /nfs/dbraw/zinc/21/83/66/203218366.db2.gz QYFIXZWHJCAOET-UHFFFAOYSA-N -1 0 338.379 2.550 50 0 EFAARM CC(C)c1ccn(C2(C(=O)[O-])CCN(C(=O)[C@@H]3CC=CCC3)CC2)n1 ZINC000072419256 203218522 /nfs/dbraw/zinc/21/85/22/203218522.db2.gz PCGZAPYLNNDQNP-OAHLLOKOSA-N -1 0 345.443 2.765 50 0 EFAARM Cc1ccccc1OC1(C(=O)[O-])CCN(C(=O)c2cscn2)CC1 ZINC000072418779 203218995 /nfs/dbraw/zinc/21/89/95/203218995.db2.gz DFTADRPAXVKUBT-UHFFFAOYSA-N -1 0 346.408 2.590 50 0 EFAARM Cc1ccc(N2CCC(Oc3ccccc3C)(C(=O)[O-])CC2)nn1 ZINC000072480059 203233172 /nfs/dbraw/zinc/23/31/72/203233172.db2.gz QUDPFPPFDGEFGX-UHFFFAOYSA-N -1 0 327.384 2.596 50 0 EFAARM O=C([O-])C1(Oc2ccccc2)CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000072438890 203224323 /nfs/dbraw/zinc/22/43/23/203224323.db2.gz PBVUOXUJFUBVNR-HNNXBMFYSA-N -1 0 329.396 2.868 50 0 EFAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)COc1ccc(Cl)cc1 ZINC000003321402 304151937 /nfs/dbraw/zinc/15/19/37/304151937.db2.gz SOSZVWLJTUTIFA-INIZCTEOSA-N -1 0 345.782 2.757 50 0 EFAARM CCc1csc(CNc2nccc(-c3cc(C(=O)[O-])ccn3)n2)n1 ZINC000077440228 203388544 /nfs/dbraw/zinc/38/85/44/203388544.db2.gz BOGRUAJBZGRAQA-UHFFFAOYSA-N -1 0 341.396 2.868 50 0 EFAARM O=C([O-])c1ccnc(-c2ccnc(NCC[C@@H]3CCCCO3)n2)c1 ZINC000077486310 203391626 /nfs/dbraw/zinc/39/16/26/203391626.db2.gz ANERFSWFQDSDMT-ZDUSSCGKSA-N -1 0 328.372 2.608 50 0 EFAARM CCc1cc(C(=O)N2C[C@@H](c3ccccc3C)[C@H](C(=O)[O-])C2)ccn1 ZINC000091586248 203639531 /nfs/dbraw/zinc/63/95/31/203639531.db2.gz UBPTUBIRAHNAMO-ZWKOTPCHSA-N -1 0 338.407 2.893 50 0 EFAARM CCc1c(C)scc1C(=O)N1C[C@@H](c2cccnc2)[C@H](C(=O)[O-])C1 ZINC000091587438 203639875 /nfs/dbraw/zinc/63/98/75/203639875.db2.gz FKCWKDIOXLOPNQ-LSDHHAIUSA-N -1 0 344.436 2.954 50 0 EFAARM COc1cccc(Sc2ccc(N3CCC[C@@H](C(=O)[O-])C3)nn2)c1 ZINC000098095636 203985620 /nfs/dbraw/zinc/98/56/20/203985620.db2.gz VEIHPGHMYHDOBU-GFCCVEGCSA-N -1 0 345.424 2.937 50 0 EFAARM Cc1ccccc1Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000101167190 204001922 /nfs/dbraw/zinc/00/19/22/204001922.db2.gz BUDCIVYQXQAJGU-HOTGVXAUSA-N -1 0 338.342 2.628 50 0 EFAARM Cc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1 ZINC000101167207 204002752 /nfs/dbraw/zinc/00/27/52/204002752.db2.gz QZXPZXURUSPHTR-HOTGVXAUSA-N -1 0 338.342 2.628 50 0 EFAARM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1C ZINC000101260620 204004180 /nfs/dbraw/zinc/00/41/80/204004180.db2.gz NUBFZPIQFUMWNY-JKSUJKDBSA-N -1 0 338.342 2.940 50 0 EFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C)c4)c=3c2=O)cc1 ZINC000101417321 204006796 /nfs/dbraw/zinc/00/67/96/204006796.db2.gz DYQZMSFZQFUPGV-SJORKVTESA-N -1 0 334.379 2.797 50 0 EFAARM CCCCn1c([O-])c(Cc2ccc(Cl)cc2Cl)c(=O)[nH]c1=O ZINC000101442623 204007855 /nfs/dbraw/zinc/00/78/55/204007855.db2.gz KJZUSBWJPYWZCF-UHFFFAOYSA-N -1 0 343.210 2.940 50 0 EFAARM Cc1cc2nc(CN(C)[C@H](C)c3nc(C)sc3C)cc(=O)n2[n-]1 ZINC000102733734 204048058 /nfs/dbraw/zinc/04/80/58/204048058.db2.gz LUFSGKWUEMXGDH-SNVBAGLBSA-N -1 0 331.445 2.597 50 0 EFAARM Cc1nc(NC(=O)Cc2csc([N-]c3ncccn3)n2)sc1C ZINC000049029439 204363970 /nfs/dbraw/zinc/36/39/70/204363970.db2.gz JREKBHMHHTVDLW-UHFFFAOYSA-N -1 0 346.441 2.931 50 0 EFAARM O=C([O-])c1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1 ZINC000238011506 204853459 /nfs/dbraw/zinc/85/34/59/204853459.db2.gz DMBPUXPAXKNUAI-UHFFFAOYSA-N -1 0 339.391 2.863 50 0 EFAARM O=C([O-])CC1(CC(=O)NCc2ccc3c(c2)OCO3)CCCCC1 ZINC000000129371 206208831 /nfs/dbraw/zinc/20/88/31/206208831.db2.gz PLJFNHJHXILNGR-UHFFFAOYSA-N -1 0 333.384 2.847 50 0 EFAARM Cc1nnc(SCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)[n-]c1=O ZINC000000048263 206210773 /nfs/dbraw/zinc/21/07/73/206210773.db2.gz WRFZJVDMSKNDAC-KGYLQXTDSA-N -1 0 339.461 2.982 50 0 EFAARM Cc1oc2c(c1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])CCCC2 ZINC000000036845 206211552 /nfs/dbraw/zinc/21/15/52/206211552.db2.gz ZFEVXQOLLSVJSI-HNNXBMFYSA-N -1 0 327.380 2.893 50 0 EFAARM COc1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000000610255 206245849 /nfs/dbraw/zinc/24/58/49/206245849.db2.gz WNFKYRVPJZUDPM-UHFFFAOYSA-N -1 0 330.340 2.724 50 0 EFAARM Cc1cc(C)c(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c(C)c1 ZINC000000514230 206238820 /nfs/dbraw/zinc/23/88/20/206238820.db2.gz ZQZPCVVQKXBEIQ-UHFFFAOYSA-N -1 0 335.381 2.816 50 0 EFAARM Cc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)N1CCc2ccccc21 ZINC000000457485 206241137 /nfs/dbraw/zinc/24/11/37/206241137.db2.gz BREQZOXPJPXXRJ-CMDGGOBGSA-N -1 0 343.404 2.844 50 0 EFAARM CCC1(CC)CN(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)CCO1 ZINC000426727512 247293899 /nfs/dbraw/zinc/29/38/99/247293899.db2.gz PHHJTXBNZQPEEE-HNNXBMFYSA-N -1 0 334.416 2.721 50 0 EFAARM O=C([O-])CCCCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000001795954 206322633 /nfs/dbraw/zinc/32/26/33/206322633.db2.gz ONPULCNDQPLYSM-UHFFFAOYSA-N -1 0 339.335 2.629 50 0 EFAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000006726404 206518728 /nfs/dbraw/zinc/51/87/28/206518728.db2.gz XNALZKYTRNJOCS-HZPDHXFCSA-N -1 0 344.411 2.752 50 0 EFAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cccc2cccnc21 ZINC000243956936 304207350 /nfs/dbraw/zinc/20/73/50/304207350.db2.gz CEOPZGKPZIXKGB-QGZVFWFLSA-N -1 0 332.359 2.887 50 0 EFAARM CCc1[nH]nc(C(=O)N2C[C@@H](c3ccccc3C)[C@H](C(=O)[O-])C2)c1C ZINC000091459680 218009663 /nfs/dbraw/zinc/00/96/63/218009663.db2.gz AOEDXCPQBTXWSF-LSDHHAIUSA-N -1 0 341.411 2.529 50 0 EFAARM O=C([O-])c1ccc(NC(=O)[C@H]2CC(=O)O[C@@H]2c2ccccc2)cc1 ZINC000000376883 304247662 /nfs/dbraw/zinc/24/76/62/304247662.db2.gz MTCQAHCLMSBPEB-GOEBONIOSA-N -1 0 325.320 2.628 50 0 EFAARM O=C([O-])c1cccc(NC(=O)[C@H]2CC(=O)O[C@@H]2c2ccccc2)c1 ZINC000000617683 304263061 /nfs/dbraw/zinc/26/30/61/304263061.db2.gz ZLKSYHINXQLYIC-GOEBONIOSA-N -1 0 325.320 2.628 50 0 EFAARM CC(C)C[C@@H](NC(=O)Cc1ccc2c(c1)CCC(C)(C)O2)C(=O)[O-] ZINC000334162412 258016172 /nfs/dbraw/zinc/01/61/72/258016172.db2.gz SYMIFDQPTIUFBO-OAHLLOKOSA-N -1 0 333.428 2.948 50 0 EFAARM COc1ccccc1-c1nc2cc(C(=O)[O-])cc(NC(C)=O)c2n1C ZINC000299773059 258084998 /nfs/dbraw/zinc/08/49/98/258084998.db2.gz CEMSOGWIHIYEOR-UHFFFAOYSA-N -1 0 339.351 2.906 50 0 EFAARM O=C([O-])c1ccc(-n2cc(NC(=O)Cc3cccc(F)c3)cn2)cc1 ZINC000299777610 258088021 /nfs/dbraw/zinc/08/80/21/258088021.db2.gz OIOUMWGJJPHRKY-UHFFFAOYSA-N -1 0 339.326 2.891 50 0 EFAARM Cc1cccc(C(=O)Nc2nc3c(s2)C(=O)C[C@H](C(=O)[O-])C3)c1C ZINC000299778297 258088269 /nfs/dbraw/zinc/08/82/69/258088269.db2.gz GHETWOURWLBGGZ-SNVBAGLBSA-N -1 0 344.392 2.842 50 0 EFAARM COc1ccccc1-c1ccnc(-n2ncc(C(=O)[O-])c2C2CC2)n1 ZINC000299792293 258097264 /nfs/dbraw/zinc/09/72/64/258097264.db2.gz GAGJTXJKIRWIDZ-UHFFFAOYSA-N -1 0 336.351 2.914 50 0 EFAARM Cc1cccc(C(=O)Nc2nc3c(s2)C(=O)C[C@H](C(=O)[O-])C3)c1 ZINC000299793128 258098262 /nfs/dbraw/zinc/09/82/62/258098262.db2.gz JGSJHFDEFIWGSK-SNVBAGLBSA-N -1 0 330.365 2.534 50 0 EFAARM Cc1cc(=O)c(C(=O)[O-])c(CCc2ccccc2)n1C[C@H]1CCCO1 ZINC000299798591 258102297 /nfs/dbraw/zinc/10/22/97/258102297.db2.gz SZPDECQSBCMTCL-MRXNPFEDSA-N -1 0 341.407 2.819 50 0 EFAARM O=C([O-])c1nnn(-c2cccc(Br)c2)c1C(F)(F)F ZINC000047843835 304285217 /nfs/dbraw/zinc/28/52/17/304285217.db2.gz PQOKYLFKYFWJLZ-UHFFFAOYSA-N -1 0 336.067 2.747 50 0 EFAARM O=C([O-])c1nnn(-c2ccc(Br)cc2)c1[C@H]1CCCO1 ZINC000011730675 304285279 /nfs/dbraw/zinc/28/52/79/304285279.db2.gz NWGPADYBWJFXDI-SNVBAGLBSA-N -1 0 338.161 2.580 50 0 EFAARM COC(=O)c1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])nsc32)cc1 ZINC000071283490 292017108 /nfs/dbraw/zinc/01/71/08/292017108.db2.gz YDUNCDUNPUDFKA-SECBINFHSA-N -1 0 332.337 2.752 50 0 EFAARM CCn1c(=O)c2cc(I)ccc2[n-]c1=S ZINC000001251392 276709009 /nfs/dbraw/zinc/70/90/09/276709009.db2.gz SJQXHVYZTGTKQG-UHFFFAOYSA-N -1 0 332.166 2.684 50 0 EFAARM CC(=O)c1ccc2c(c1O)[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)O2 ZINC000217749335 278250642 /nfs/dbraw/zinc/25/06/42/278250642.db2.gz LSXZZQZMFNTSNG-CYBMUJFWSA-N -1 0 326.304 2.734 50 0 biogenic EFAARM CC(C)(C)OC(=O)N1CCC(c2cc3ncc(C(=O)[O-])cn3n2)CC1 ZINC000095099741 278382810 /nfs/dbraw/zinc/38/28/10/278382810.db2.gz NEYWWZMADHYYKW-UHFFFAOYSA-N -1 0 346.387 2.542 50 0 EFAARM CC(C)CC(=O)N[C@]1(C(F)(F)F)[N-]c2nc3ccccc3n2C1=O ZINC000005209790 278721628 /nfs/dbraw/zinc/72/16/28/278721628.db2.gz QGTASNILPCMMTE-AWEZNQCLSA-N -1 0 340.305 2.523 50 0 EFAARM Cc1nc(-c2ccc(Cl)cc2)nc2sc3c([n-]nnc3=O)c21 ZINC000009486575 293141095 /nfs/dbraw/zinc/14/10/95/293141095.db2.gz KTKPSLHBHHABQA-UHFFFAOYSA-N -1 0 329.772 2.952 50 0 EFAARM COc1cc2c(cc1OC)-c1nc3c(c(C)nn3C)c(C(=O)[O-])c1C2 ZINC000095478716 295037502 /nfs/dbraw/zinc/03/75/02/295037502.db2.gz QQUUOFNENGTJQK-UHFFFAOYSA-N -1 0 339.351 2.563 50 0 EFAARM COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[O-])nc3n2)cc1 ZINC000000061441 295046772 /nfs/dbraw/zinc/04/67/72/295046772.db2.gz DVSYKPQCIYNPSG-UHFFFAOYSA-N -1 0 338.245 2.517 50 0 EFAARM COc1cccc2cc3c(=O)n(-c4ccc(C(=O)[O-])cc4)nc-3oc21 ZINC000102397776 295343786 /nfs/dbraw/zinc/34/37/86/295343786.db2.gz WGEFYRXHIQZOKJ-UHFFFAOYSA-N -1 0 336.303 2.790 50 0 EFAARM Cc1cc(=O)oc2cc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])ccc12 ZINC000016480049 301068603 /nfs/dbraw/zinc/06/86/03/301068603.db2.gz SGMQPIPRCVJDAL-UONOGXRCSA-N -1 0 327.336 2.707 50 0 EFAARM O=c1c2[n-][nH]n(-c3ccccc3)c=2c(=O)n1-c1cccc(Cl)c1 ZINC000101144803 304719060 /nfs/dbraw/zinc/71/90/60/304719060.db2.gz HWVJBVZORFGBDO-KBPBESRZSA-N -1 0 326.743 2.838 50 0 EFAARM Cc1ccc(S(=O)(=O)[N-]NC(=S)Nc2cc(C)ccc2C)cc1 ZINC000006613770 301689707 /nfs/dbraw/zinc/68/97/07/301689707.db2.gz PCYVYAKDFJAQJL-UHFFFAOYSA-N -1 0 349.481 2.792 50 0 EFAARM Cc1cccc(NC(=O)C2=C([O-])c3ccccc3N(C)S2(=O)=O)c1 ZINC000006055455 302000206 /nfs/dbraw/zinc/00/02/06/302000206.db2.gz CTJXNFQPSPJRIL-UHFFFAOYSA-N -1 0 344.392 2.640 50 0 EFAARM Cc1cccnc1CN(C)[C@H](C(=O)[O-])c1ccc(-n2cccn2)cc1 ZINC000095389357 302235699 /nfs/dbraw/zinc/23/56/99/302235699.db2.gz VBDRRECMJSDVNN-SFHVURJKSA-N -1 0 336.395 2.833 50 0 EFAARM Cc1nc2sc3c(c2c2nc(CCC(=O)[O-])nn21)CC(C)(C)OC3 ZINC000002339332 302686934 /nfs/dbraw/zinc/68/69/34/302686934.db2.gz VCHHRIHLDJGARF-UHFFFAOYSA-N -1 0 346.412 2.516 50 0 EFAARM NC(=O)c1c(NC(=O)c2ccccc2C(=O)[O-])sc2c1CCCC2 ZINC000000096435 303338565 /nfs/dbraw/zinc/33/85/65/303338565.db2.gz AUYQDVZUNURNSO-UHFFFAOYSA-N -1 0 344.392 2.676 50 0 EFAARM Cc1n[nH]c(C)c1[C@H](NC(=O)CCCc1ccc(Cl)cc1)C(=O)[O-] ZINC000095500799 473214495 /nfs/dbraw/zinc/21/44/95/473214495.db2.gz VKNZHFBTCWQRPM-INIZCTEOSA-N -1 0 349.818 2.945 50 0 EFAARM CCCn1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2F)c(C)n1 ZINC000095508643 473217187 /nfs/dbraw/zinc/21/71/87/473217187.db2.gz ALTDIQNYLBWOOI-OAHLLOKOSA-N -1 0 333.363 2.686 50 0 EFAARM CC(C)Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CCCc3ccccc32)on1 ZINC000095526344 473221266 /nfs/dbraw/zinc/22/12/66/473221266.db2.gz UHJGTQUYPPMABD-IBGZPJMESA-N -1 0 342.395 2.919 50 0 EFAARM O=C([O-])c1ccc(N2CCC(c3nccn3CC3CC3)CC2)nc1 ZINC000095528138 473221269 /nfs/dbraw/zinc/22/12/69/473221269.db2.gz LHJUETVDWMIUIX-UHFFFAOYSA-N -1 0 326.400 2.770 50 0 EFAARM CC1(C)CNC(=O)c2nc(-c3nc(-c4ccccc4F)no3)[n-]c2C1 ZINC000095528700 473221329 /nfs/dbraw/zinc/22/13/29/473221329.db2.gz VLDKGUDDARCELY-UHFFFAOYSA-N -1 0 341.346 2.578 50 0 EFAARM O=C([O-])c1cnc(C2CCN(C(=O)OCc3ccccc3)CC2)nc1 ZINC000095803067 473225174 /nfs/dbraw/zinc/22/51/74/473225174.db2.gz VTBLHIGDEXUOAW-UHFFFAOYSA-N -1 0 341.367 2.691 50 0 EFAARM O=S(=O)([N-]c1cnn(C2CCOCC2)c1)c1cccc(Cl)c1 ZINC000096123403 473308065 /nfs/dbraw/zinc/30/80/65/473308065.db2.gz KJYQISSDJQPRMF-UHFFFAOYSA-N -1 0 341.820 2.689 50 0 EFAARM O=S(=O)([N-]c1cnn(C2CCOCC2)c1)c1ccc(Cl)s1 ZINC000096123393 473308147 /nfs/dbraw/zinc/30/81/47/473308147.db2.gz VVWLAKPOPOPANO-UHFFFAOYSA-N -1 0 347.849 2.750 50 0 EFAARM O=C([O-])c1cc(F)cc(I)c1Br ZINC000162572115 473358119 /nfs/dbraw/zinc/35/81/19/473358119.db2.gz LWNPAMKVGOGRMR-UHFFFAOYSA-N -1 0 344.905 2.891 50 0 EFAARM COc1ccc2oc(=O)c(C(=O)Nc3ccccc3C(=O)[O-])cc2c1 ZINC000000061872 471318973 /nfs/dbraw/zinc/31/89/73/471318973.db2.gz ZGAOUTUGDQBISI-UHFFFAOYSA-N -1 0 339.303 2.752 50 0 EFAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccco2)cc1OC ZINC000000099999 471323280 /nfs/dbraw/zinc/32/32/80/471323280.db2.gz XKYZMZRROMCOBE-GFCCVEGCSA-N -1 0 333.340 2.633 50 0 EFAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CC(C)C)cc2)n1 ZINC000000116115 471325216 /nfs/dbraw/zinc/32/52/16/471325216.db2.gz IQLBHQVBBPJDNN-UHFFFAOYSA-N -1 0 348.428 2.570 50 0 EFAARM CC(C)=CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000000145685 471328008 /nfs/dbraw/zinc/32/80/08/471328008.db2.gz FWKVIXPZGCBRLI-UHFFFAOYSA-N -1 0 331.397 2.787 50 0 EFAARM Cc1cccc(C(=O)N/C(=C/c2ccc3c(c2)OCO3)C(=O)[O-])c1 ZINC000000184730 471332442 /nfs/dbraw/zinc/33/24/42/471332442.db2.gz QZZZMGLZACQVGX-RIYZIHGNSA-N -1 0 325.320 2.579 50 0 EFAARM Cc1ccc(N2CCN(c3ccc(C)cc3)[C@H](CC(=O)[O-])C2=O)cc1 ZINC000000192975 471333263 /nfs/dbraw/zinc/33/32/63/471333263.db2.gz AAUIVFOUVNJWNN-GOSISDBHSA-N -1 0 338.407 3.000 50 0 aggregator EFAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000000205083 471334334 /nfs/dbraw/zinc/33/43/34/471334334.db2.gz FMZQRXKMUFIYCN-HOTGVXAUSA-N -1 0 327.384 2.761 50 0 EFAARM CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)[O-] ZINC000000226475 471339498 /nfs/dbraw/zinc/33/94/98/471339498.db2.gz FZAKTGJDHKFYOP-CQSZACIVSA-N -1 0 326.352 2.532 50 0 EFAARM O=C([O-])c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl ZINC000000246285 471340025 /nfs/dbraw/zinc/34/00/25/471340025.db2.gz WMSIRTDPQHCVPS-UHFFFAOYSA-N -1 0 338.212 2.866 50 0 EFAARM CC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000279612 471342281 /nfs/dbraw/zinc/34/22/81/471342281.db2.gz GAOKVYMCRJQAOL-SNVBAGLBSA-N -1 0 339.442 2.929 50 0 EFAARM O=C([O-])CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 ZINC000000274548 471342594 /nfs/dbraw/zinc/34/25/94/471342594.db2.gz DINSNNGAGBNQJM-UHFFFAOYSA-N -1 0 325.773 2.620 50 0 EFAARM Cc1ccccc1C(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)[O-] ZINC000000303277 471345004 /nfs/dbraw/zinc/34/50/04/471345004.db2.gz DCYVSCDZEUMNCH-RIYZIHGNSA-N -1 0 325.320 2.579 50 0 EFAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccco3)C2)cc1 ZINC000000378729 471352773 /nfs/dbraw/zinc/35/27/73/471352773.db2.gz ODSQKOBKOLYKOA-OAHLLOKOSA-N -1 0 342.351 2.831 50 0 EFAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccco3)C2)cc1 ZINC000000378730 471353071 /nfs/dbraw/zinc/35/30/71/471353071.db2.gz ODSQKOBKOLYKOA-HNNXBMFYSA-N -1 0 342.351 2.831 50 0 EFAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N1CCCC1 ZINC000000472559 471364108 /nfs/dbraw/zinc/36/41/08/471364108.db2.gz PRSBEULKOIGSMW-UHFFFAOYSA-N -1 0 348.399 2.863 50 0 EFAARM CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2OC)cc1 ZINC000000471003 471364229 /nfs/dbraw/zinc/36/42/29/471364229.db2.gz ILNJPDOMRDGGOM-UHFFFAOYSA-N -1 0 337.397 2.903 50 0 EFAARM COc1ccc(C2=NN(C(=O)/C=C/C(=O)[O-])[C@@H](c3ccco3)C2)cc1 ZINC000000532070 471368499 /nfs/dbraw/zinc/36/84/99/471368499.db2.gz NQLYUAYENQNLLV-XVJNWHFHSA-N -1 0 340.335 2.607 50 0 EFAARM C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)c1ccccc1 ZINC000000611421 471374010 /nfs/dbraw/zinc/37/40/10/471374010.db2.gz MDTKTYGSCSFELM-CYBMUJFWSA-N -1 0 333.409 2.743 50 0 EFAARM COc1cc(NS(=O)(=O)c2ccccc2)c(Cl)c(C(=O)[O-])c1 ZINC000001058448 471380345 /nfs/dbraw/zinc/38/03/45/471380345.db2.gz YMKALKHYINCOAY-UHFFFAOYSA-N -1 0 341.772 2.848 50 0 EFAARM O=C(CSc1nncc(=O)[n-]1)Nc1cccc(Cl)c1Cl ZINC000001282261 471384985 /nfs/dbraw/zinc/38/49/85/471384985.db2.gz INAGIOXVYPVTSY-UHFFFAOYSA-N -1 0 331.184 2.615 50 0 EFAARM O=C(CSc1nncc(=O)[n-]1)Nc1ccc(Cl)cc1Cl ZINC000001282259 471385117 /nfs/dbraw/zinc/38/51/17/471385117.db2.gz WJFZDNFAVOLBEI-UHFFFAOYSA-N -1 0 331.184 2.615 50 0 EFAARM O=C([O-])CSc1nnc2n(Cc3ccccc3)c3ccccc3n12 ZINC000001364922 471387414 /nfs/dbraw/zinc/38/74/14/471387414.db2.gz BEXUFRXIYHKALR-UHFFFAOYSA-N -1 0 338.392 2.909 50 0 EFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3ncccc3c2)cc1 ZINC000001418669 471390241 /nfs/dbraw/zinc/39/02/41/471390241.db2.gz ZGZNVPUJJMNHOP-UHFFFAOYSA-N -1 0 326.377 2.662 50 0 EFAARM O=C([O-])CN1C(=O)S/C(=C/c2ccccc2Br)C1=O ZINC000002024224 471400262 /nfs/dbraw/zinc/40/02/62/471400262.db2.gz CZETZIWZPIOKOY-WEVVVXLNSA-N -1 0 342.170 2.570 50 0 EFAARM CC1(C)C[C@](CCNC(=O)CCC(=O)[O-])(c2ccccc2)CCO1 ZINC000002110249 471401856 /nfs/dbraw/zinc/40/18/56/471401856.db2.gz LRLCVRAFFOKFPB-LJQANCHMSA-N -1 0 333.428 2.885 50 0 biogenic EFAARM CCOC(=O)[C@]([N-]c1ccccc1Cl)(NC(C)=O)C(F)(F)F ZINC000002322854 471405660 /nfs/dbraw/zinc/40/56/60/471405660.db2.gz GMJXGVZXUCRKCC-GFCCVEGCSA-N -1 0 338.713 2.710 50 0 EFAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000002566393 471410994 /nfs/dbraw/zinc/41/09/94/471410994.db2.gz BGVAHNPIMLUQAI-UHFFFAOYSA-N -1 0 326.377 2.740 50 0 EFAARM COC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002583289 471411015 /nfs/dbraw/zinc/41/10/15/471411015.db2.gz YFWAFELGMGZCHL-KRWDZBQOSA-N -1 0 341.363 2.625 50 0 EFAARM Cc1cccc(N2CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])CC2)c1C ZINC000002739753 471418674 /nfs/dbraw/zinc/41/86/74/471418674.db2.gz ZVGUBMKKWJOTDE-IRXDYDNUSA-N -1 0 342.439 2.619 50 0 EFAARM c1cnn(Cc2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)c1 ZINC000002730612 471419330 /nfs/dbraw/zinc/41/93/30/471419330.db2.gz SJYYNOMBUIMEJF-UHFFFAOYSA-N -1 0 337.412 2.771 50 0 EFAARM COC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000002767012 471420260 /nfs/dbraw/zinc/42/02/60/471420260.db2.gz DDWOQNVDSJRUGO-WDEREUQCSA-N -1 0 339.413 2.981 50 0 EFAARM COc1cc([N-]S(=O)(=O)c2cccs2)cc(OC)c1OC ZINC000002770825 471420700 /nfs/dbraw/zinc/42/07/00/471420700.db2.gz KPKFNBMUKHGPIQ-UHFFFAOYSA-N -1 0 329.399 2.575 50 0 EFAARM Cc1ccc(S(=O)(=O)[N-]c2ncn(Cc3cccc(F)c3)n2)cc1 ZINC000002781024 471421235 /nfs/dbraw/zinc/42/12/35/471421235.db2.gz JXOBNGIBRFPVSY-UHFFFAOYSA-N -1 0 346.387 2.575 50 0 EFAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cnn(Cc2ccc(C)cc2)c1 ZINC000002791217 471421712 /nfs/dbraw/zinc/42/17/12/471421712.db2.gz VPVIRRRZFJSBEP-UHFFFAOYSA-N -1 0 346.412 2.645 50 0 EFAARM O=C([O-])c1ccccc1SCC(=O)NCCOc1ccccc1 ZINC000002924492 471427361 /nfs/dbraw/zinc/42/73/61/471427361.db2.gz WHQCLWBKMVHUML-UHFFFAOYSA-N -1 0 331.393 2.672 50 0 EFAARM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2ccccc2Cl)c1 ZINC000003855808 471455302 /nfs/dbraw/zinc/45/53/02/471455302.db2.gz MQULHZQYCUTCFZ-UHFFFAOYSA-N -1 0 329.736 2.978 50 0 EFAARM Cc1cc(C)c(NC(=O)C[C@@H](NCc2ccco2)C(=O)[O-])c(C)c1 ZINC000004318944 471463714 /nfs/dbraw/zinc/46/37/14/471463714.db2.gz YTJIVCQUHWBOSS-OAHLLOKOSA-N -1 0 330.384 2.776 50 0 EFAARM O=C([O-])C[C@@H](NC(=O)CCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000004720673 471472647 /nfs/dbraw/zinc/47/26/47/471472647.db2.gz YDLVDMUKKCZZHI-OAHLLOKOSA-N -1 0 341.363 2.680 50 0 EFAARM CC(C)NC(=O)c1ccccc1[N-]S(=O)(=O)Cc1ccccc1 ZINC000004742228 471473567 /nfs/dbraw/zinc/47/35/67/471473567.db2.gz KIXVTLIQVAKHSF-UHFFFAOYSA-N -1 0 332.425 2.767 50 0 EFAARM CCC(=O)[N-]C(=O)c1c(NC(=O)CC)onc1-c1ccc(CC)s1 ZINC000004771703 471473993 /nfs/dbraw/zinc/47/39/93/471473993.db2.gz OXLYMZWAZRQTNT-UHFFFAOYSA-N -1 0 349.412 2.980 50 0 EFAARM CCOC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc2c1[C@@H](C)CCC2 ZINC000004834577 471476949 /nfs/dbraw/zinc/47/69/49/471476949.db2.gz ITNFFAMVYKRMCA-FLOXNTQESA-N -1 0 337.397 2.944 50 0 EFAARM O=C1CCc2cc([N-]S(=O)(=O)c3cccs3)cc3c2N1CCC3 ZINC000005154082 471487225 /nfs/dbraw/zinc/48/72/25/471487225.db2.gz MFDWVXDBXTVCFY-UHFFFAOYSA-N -1 0 348.449 2.774 50 0 EFAARM COc1ccccc1Nc1nnc(Cc2ccc(F)cc2)c(=O)[n-]1 ZINC000005154334 471487911 /nfs/dbraw/zinc/48/79/11/471487911.db2.gz NZDSPLQBBGHMAN-UHFFFAOYSA-N -1 0 326.331 2.647 50 0 EFAARM O=C([O-])CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000005133102 471488197 /nfs/dbraw/zinc/48/81/97/471488197.db2.gz WESXKPNXMJKYHK-UHFFFAOYSA-N -1 0 345.420 2.845 50 0 EFAARM CCc1cccc(CC)c1NC(=O)C[C@H](NCc1ccco1)C(=O)[O-] ZINC000005258177 471496679 /nfs/dbraw/zinc/49/66/79/471496679.db2.gz CUQZUIPWEWAVOM-INIZCTEOSA-N -1 0 344.411 2.976 50 0 EFAARM O=C1N(CCc2ccccc2)C(c2ccccc2)=N[C@@]1([O-])C(F)(F)F ZINC000005305600 471498477 /nfs/dbraw/zinc/49/84/77/471498477.db2.gz HILZQYRWKDVLGV-KRWDZBQOSA-N -1 0 348.324 2.769 50 0 EFAARM O=C([O-])[C@@H](NC(=O)OCc1ccccc1)c1ccc2c(c1)OCC2 ZINC000006282295 471538291 /nfs/dbraw/zinc/53/82/91/471538291.db2.gz QQBZSIANJBZDQT-INIZCTEOSA-N -1 0 327.336 2.674 50 0 EFAARM Cc1c(C)c2c(OCC(=O)[O-])cc3c(c2oc1=O)CCC(C)(C)O3 ZINC000006624156 471554449 /nfs/dbraw/zinc/55/44/49/471554449.db2.gz SWJJRPFLWXYUOH-UHFFFAOYSA-N -1 0 332.352 2.977 50 0 biogenic EFAARM O=C1Oc2ccccc2[C@H](O)C1=C([O-])c1ccccc1Br ZINC000006667220 471558540 /nfs/dbraw/zinc/55/85/40/471558540.db2.gz QODVAYBXMZHWMD-HIFRSBDPSA-N -1 0 347.164 2.901 50 0 EFAARM O=C([O-])CCC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000006698408 471559664 /nfs/dbraw/zinc/55/96/64/471559664.db2.gz VMYHHRFCEACKGL-UHFFFAOYSA-N -1 0 331.199 2.507 50 0 EFAARM CC1=C(C)C[C@H](C(=O)N2CCN(c3ccccc3)CC2)[C@@H](C(=O)[O-])C1 ZINC000006699685 471561386 /nfs/dbraw/zinc/56/13/86/471561386.db2.gz VFNJJPATNBDDGJ-ROUUACIJSA-N -1 0 342.439 2.782 50 0 EFAARM CCn1ncc(S(=O)(=O)[N-]c2cccc(Br)c2)c1C ZINC000006706530 471561607 /nfs/dbraw/zinc/56/16/07/471561607.db2.gz QUPXXUCOIBYWCH-UHFFFAOYSA-N -1 0 344.234 2.775 50 0 EFAARM O=C([O-])c1cc(NC(=O)c2cccc(-n3cnnc3)c2)ccc1Cl ZINC000006703784 471561692 /nfs/dbraw/zinc/56/16/92/471561692.db2.gz GKUGTZRKTKMUEN-UHFFFAOYSA-N -1 0 342.742 2.871 50 0 EFAARM COc1ccc([C@H](C)NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1OC ZINC000006730297 471562891 /nfs/dbraw/zinc/56/28/91/471562891.db2.gz GCYWBXLEDFNDIC-UBHSHLNASA-N -1 0 335.400 2.772 50 0 EFAARM COc1ccc(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])cc1OC ZINC000006742249 471564102 /nfs/dbraw/zinc/56/41/02/471564102.db2.gz IGPCJVJBACPIDN-JKGUZNAFSA-N -1 0 333.384 2.779 50 0 EFAARM CC1=C(C)C[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)[C@H](C(=O)[O-])C1 ZINC000006742449 471564599 /nfs/dbraw/zinc/56/45/99/471564599.db2.gz ZHHDDMVPWMBRGE-ZIAGYGMSSA-N -1 0 331.368 2.844 50 0 EFAARM CCCCCSc1nc2c(c(=O)[nH][n-]c2=O)n1Cc1ccccc1 ZINC000008618900 471696517 /nfs/dbraw/zinc/69/65/17/471696517.db2.gz RNAPWUQUOVKTFS-UHFFFAOYSA-N -1 0 344.440 2.744 50 0 EFAARM CC(C)(C)OC(=O)N[C@@H](c1ccc2ccccc2c1)[C@H](O)C(=O)[O-] ZINC000008700673 471698772 /nfs/dbraw/zinc/69/87/72/471698772.db2.gz DQUFRNIKBQMWFX-GJZGRUSLSA-N -1 0 331.368 2.851 50 0 EFAARM CC(C)(C)OC(=O)N[C@@H](c1ccccc1C(F)(F)F)[C@H](O)C(=O)[O-] ZINC000008700599 471699126 /nfs/dbraw/zinc/69/91/26/471699126.db2.gz JKBPUHMWQXQKJK-QWRGUYRKSA-N -1 0 349.305 2.717 50 0 EFAARM COc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c(C)c1C ZINC000008715819 471701466 /nfs/dbraw/zinc/70/14/66/471701466.db2.gz YJWQXUZMFYDPHS-UHFFFAOYSA-N -1 0 335.381 2.811 50 0 EFAARM Cc1nc2[n-]c(NC(=O)c3ccccc3Cl)nn2c(=O)c1Cl ZINC000008927617 471706910 /nfs/dbraw/zinc/70/69/10/471706910.db2.gz YXBJSQPQUFTJJN-UHFFFAOYSA-N -1 0 338.154 2.697 50 0 EFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000009002276 471709308 /nfs/dbraw/zinc/70/93/08/471709308.db2.gz SEAHDJWDRADBQV-UHFFFAOYSA-N -1 0 325.411 2.952 50 0 EFAARM CCOC(=O)c1cnc([N-][C@H]2N=C(C)c3ccc(C)cc3N2)nc1C ZINC000009109524 471710369 /nfs/dbraw/zinc/71/03/69/471710369.db2.gz KACMDXHXORLIJU-SFHVURJKSA-N -1 0 339.399 2.900 50 0 EFAARM CCOc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])ccc1OC ZINC000009360831 471715281 /nfs/dbraw/zinc/71/52/81/471715281.db2.gz ZYOWJENWAULGPS-MDWZMJQESA-N -1 0 335.385 2.738 50 0 EFAARM CCOCCOc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000009878518 471722955 /nfs/dbraw/zinc/72/29/55/471722955.db2.gz WHBOOWNHFQLMRG-HZPDHXFCSA-N -1 0 335.400 2.931 50 0 EFAARM COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2OC)c(OC)c1 ZINC000010302006 471732605 /nfs/dbraw/zinc/73/26/05/471732605.db2.gz PKNFWMCMVQAUJI-UHFFFAOYSA-N -1 0 341.360 2.652 50 0 EFAARM O=C([O-])c1ccc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000010475477 471736720 /nfs/dbraw/zinc/73/67/20/471736720.db2.gz CZXJZGHQNJDAOB-KRWDZBQOSA-N -1 0 338.363 2.652 50 0 biogenic EFAARM CCc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)ccc1OC ZINC000011613976 471755105 /nfs/dbraw/zinc/75/51/05/471755105.db2.gz OQQXVPGTLHDOFE-UHFFFAOYSA-N -1 0 335.381 2.757 50 0 EFAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1nccs1 ZINC000011615521 471755231 /nfs/dbraw/zinc/75/52/31/471755231.db2.gz LDTPVKXNOODUAM-UHFFFAOYSA-N -1 0 349.231 2.715 50 0 EFAARM CCOc1ccc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1OC ZINC000011948131 471762610 /nfs/dbraw/zinc/76/26/10/471762610.db2.gz CYNKOBAXNTVUBW-UONOGXRCSA-N -1 0 335.400 2.601 50 0 EFAARM Cc1ccc(C)c(-n2c3nc(C)cc(C(=O)[O-])c3c(=O)[nH]c2=S)c1 ZINC000012394884 471775099 /nfs/dbraw/zinc/77/50/99/471775099.db2.gz ZQIFPGSGHLDBSD-UHFFFAOYSA-N -1 0 341.392 2.693 50 0 EFAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc2c(cc1C)OCO2 ZINC000012446801 471776602 /nfs/dbraw/zinc/77/66/02/471776602.db2.gz SRSXQVWGUYLVPW-UHFFFAOYSA-N -1 0 339.344 2.672 50 0 EFAARM Cc1ccc(N2C[C@@H](C(=O)Nc3cccc(C(=O)[O-])c3)CC2=O)cc1 ZINC000013259438 471823397 /nfs/dbraw/zinc/82/33/97/471823397.db2.gz OUEZEYORXDRMEE-AWEZNQCLSA-N -1 0 338.363 2.685 50 0 EFAARM Cc1cc(C)c(C)c(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)c1C ZINC000013262860 471823862 /nfs/dbraw/zinc/82/38/62/471823862.db2.gz AUJXKRTUDQFEGI-UHFFFAOYSA-N -1 0 339.457 2.986 50 0 EFAARM O=C([O-])Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1 ZINC000013414645 471828487 /nfs/dbraw/zinc/82/84/87/471828487.db2.gz LRKXFPFKWIDNQZ-UHFFFAOYSA-N -1 0 326.374 2.640 50 0 EFAARM Cc1nn(C)cc1-c1cc(C(=O)[O-])n2ncc(-c3ccccc3)c2n1 ZINC000013645518 471835878 /nfs/dbraw/zinc/83/58/78/471835878.db2.gz ABDXFQNJXLBBLH-UHFFFAOYSA-N -1 0 333.351 2.803 50 0 EFAARM CC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(C)s3)cc21 ZINC000013697056 471839068 /nfs/dbraw/zinc/83/90/68/471839068.db2.gz SFQAPFAEHUAADU-UHFFFAOYSA-N -1 0 336.438 2.766 50 0 EFAARM O=C(CSc1nc([O-])cc(=O)[nH]1)Nc1cc(Cl)cc(Cl)c1 ZINC000013881329 471845838 /nfs/dbraw/zinc/84/58/38/471845838.db2.gz GBMKSSGVUCDFSG-UHFFFAOYSA-N -1 0 346.195 2.513 50 0 EFAARM Cc1cc(F)ccc1O[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000014632540 471876187 /nfs/dbraw/zinc/87/61/87/471876187.db2.gz VIULPKYIUHVNCZ-STQMWFEESA-N -1 0 339.363 2.976 50 0 EFAARM O=C([O-])CCS[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000016474476 471938729 /nfs/dbraw/zinc/93/87/29/471938729.db2.gz GLLYIATUUXKJJO-SNVBAGLBSA-N -1 0 347.314 2.545 50 0 EFAARM COc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1C(=O)[O-] ZINC000016622182 471944265 /nfs/dbraw/zinc/94/42/65/471944265.db2.gz ZUQPUAFTUBWINH-LLVKDONJSA-N -1 0 347.392 2.533 50 0 EFAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000016623549 471944535 /nfs/dbraw/zinc/94/45/35/471944535.db2.gz LBJRDYZZLPBWBC-UHFFFAOYSA-N -1 0 335.381 2.842 50 0 EFAARM COc1ccc(Cc2nnc(Nc3cccc(OC)c3)[n-]c2=O)cc1 ZINC000016776995 471949580 /nfs/dbraw/zinc/94/95/80/471949580.db2.gz BEBDXRFDAMURTC-UHFFFAOYSA-N -1 0 338.367 2.929 50 0 EFAARM CCC(=O)Nc1ccc(-c2nc([N-]c3nc(C)cc(C)n3)n[nH]2)cc1 ZINC000017044917 471952768 /nfs/dbraw/zinc/95/27/68/471952768.db2.gz XQPQMEKAMOYFII-UHFFFAOYSA-N -1 0 337.387 2.971 50 0 EFAARM O=C([N-]n1c(=O)c2c3c(sc2[nH]c1=S)CCCC3)c1ccco1 ZINC000017072260 471955950 /nfs/dbraw/zinc/95/59/50/471955950.db2.gz BCUGRQWMDNIAPI-UHFFFAOYSA-N -1 0 347.421 2.976 50 0 EFAARM COc1ccc(-c2nc(CC(=O)N[C@@H](C(=O)[O-])C(C)C)cs2)cc1 ZINC000036569348 472001913 /nfs/dbraw/zinc/00/19/13/472001913.db2.gz DGXQSVWLMHRPQC-OAHLLOKOSA-N -1 0 348.424 2.587 50 0 EFAARM Cc1sc(NC(=O)c2c(C(=O)[O-])cnn2C)nc1-c1ccccc1 ZINC000036615645 472001964 /nfs/dbraw/zinc/00/19/64/472001964.db2.gz QWFCJMSHBCERFA-UHFFFAOYSA-N -1 0 342.380 2.803 50 0 EFAARM CC[C@@H]1C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2C[C@@H]1CC(=O)[O-] ZINC000039576594 472025471 /nfs/dbraw/zinc/02/54/71/472025471.db2.gz PKLKUABKQSLZLY-VNHYZAJKSA-N -1 0 347.411 2.650 50 0 EFAARM CSCC[C@H](NC(=O)Cn1ccc2ccc(Cl)cc21)C(=O)[O-] ZINC000040309563 472030369 /nfs/dbraw/zinc/03/03/69/472030369.db2.gz SFGJVXVSUTVEJT-LBPRGKRZSA-N -1 0 340.832 2.617 50 0 biogenic EFAARM CCn1ccc(-c2nnc(SCC(=O)[O-])n2-c2ccccc2C)n1 ZINC000067783773 472089941 /nfs/dbraw/zinc/08/99/41/472089941.db2.gz IXCBUKHZBKVKFR-UHFFFAOYSA-N -1 0 343.412 2.636 50 0 EFAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)c1cccc2c(C)c(C)[nH]c21)C(=O)[O-] ZINC000067851318 472098904 /nfs/dbraw/zinc/09/89/04/472098904.db2.gz FQDSFRGOXRAKKD-MRXNPFEDSA-N -1 0 340.383 2.680 50 0 EFAARM CC[C@H]1c2cccn2CCN1C(=O)c1ccccc1NCC(=O)[O-] ZINC000055035904 472132708 /nfs/dbraw/zinc/13/27/08/472132708.db2.gz HUMYHQIQRQQZOK-HNNXBMFYSA-N -1 0 327.384 2.592 50 0 EFAARM Cc1cc(C)cc(OCCCN(C)C(=O)CCc2cc(=O)[n-]o2)c1 ZINC000055054018 472134896 /nfs/dbraw/zinc/13/48/96/472134896.db2.gz RIZBAEGHSCBYEJ-UHFFFAOYSA-N -1 0 332.400 2.857 50 0 EFAARM O=C([O-])c1cnc2c(c1)n(C[C@@H]1CCCO1)c(=O)n2C1CCCCC1 ZINC000055108934 472140936 /nfs/dbraw/zinc/14/09/36/472140936.db2.gz CZKCOEGAGMFDJY-AWEZNQCLSA-N -1 0 345.399 2.580 50 0 EFAARM CCC(=O)Nc1ccc(NC(=O)CCc2cc(=O)[n-]o2)cc1Cl ZINC000055131379 472143324 /nfs/dbraw/zinc/14/33/24/472143324.db2.gz YMUPOBMRFVCAMR-UHFFFAOYSA-N -1 0 337.763 2.953 50 0 EFAARM CCC(CC)n1c(=O)n(C[C@H]2CCCCO2)c2cc(C(=O)[O-])cnc21 ZINC000055154884 472144687 /nfs/dbraw/zinc/14/46/87/472144687.db2.gz FBLAAEIWRHOBRV-CQSZACIVSA-N -1 0 347.415 2.826 50 0 EFAARM CCN(Cc1noc(CC(C)C)n1)Cc1ccccc1OCC(=O)[O-] ZINC000055401691 472180237 /nfs/dbraw/zinc/18/02/37/472180237.db2.gz FMLAAMUHIBYNDE-UHFFFAOYSA-N -1 0 347.415 2.754 50 0 EFAARM CC(=O)c1cn(CCC(=O)N2CCC[C@H](C(=O)[O-])C2)c2ccccc12 ZINC000044903338 472350516 /nfs/dbraw/zinc/35/05/16/472350516.db2.gz FILPPTDVTWYOLC-AWEZNQCLSA-N -1 0 342.395 2.557 50 0 EFAARM O=C([O-])c1ccc(OC2CN(c3nccc(-c4ccccn4)n3)C2)cc1 ZINC000097179381 472474243 /nfs/dbraw/zinc/47/42/43/472474243.db2.gz PCHJHEXNWUALJI-UHFFFAOYSA-N -1 0 348.362 2.504 50 0 EFAARM CCn1ccnc1C1CCN(C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)CC1 ZINC000097601155 472501863 /nfs/dbraw/zinc/50/18/63/472501863.db2.gz DULLBNVFNTWEPA-UHFFFAOYSA-N -1 0 344.415 2.566 50 0 EFAARM Cc1nc2[n-]c(C(F)(F)F)nn2c(=O)c1Cc1ccc(Cl)cc1 ZINC000100650226 472528374 /nfs/dbraw/zinc/52/83/74/472528374.db2.gz IBCXLQONWTWJPP-UHFFFAOYSA-N -1 0 342.708 2.989 50 0 EFAARM Cc1nccc(N2CCC[C@](Cc3ccc(F)cc3F)(C(=O)[O-])C2)n1 ZINC000071639326 472554305 /nfs/dbraw/zinc/55/43/05/472554305.db2.gz LOVQNCZBEFDSTE-GOSISDBHSA-N -1 0 347.365 2.977 50 0 EFAARM Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)[C@H]3CC=CCC3)CC2)cn1 ZINC000072420952 472663957 /nfs/dbraw/zinc/66/39/57/472663957.db2.gz AVCLEHIODRQYHY-HNNXBMFYSA-N -1 0 344.411 2.571 50 0 EFAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(C)cc2OC)C1 ZINC000091364700 472759893 /nfs/dbraw/zinc/75/98/93/472759893.db2.gz QAROBRYBNHNMHF-LJQANCHMSA-N -1 0 349.427 2.737 50 0 EFAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000091551567 472777355 /nfs/dbraw/zinc/77/73/55/472777355.db2.gz ZICLBKOBLKVXKO-IBGZPJMESA-N -1 0 344.411 2.902 50 0 EFAARM CCNc1ncc(-c2c(-c3ccccc3)ncn2CCC(=O)[O-])cn1 ZINC000091645628 472788824 /nfs/dbraw/zinc/78/88/24/472788824.db2.gz REGCXOZTNNZAKH-UHFFFAOYSA-N -1 0 337.383 2.914 50 0 EFAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)NCCc2ccccc2)C1 ZINC000091663077 472790266 /nfs/dbraw/zinc/79/02/66/472790266.db2.gz AUEAYMDHECCKMB-IBGZPJMESA-N -1 0 348.443 2.532 50 0 EFAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccn(C(C)(C)C)c2)C1 ZINC000091713123 472798162 /nfs/dbraw/zinc/79/81/62/472798162.db2.gz DVNAVYDEQDRIKI-GOSISDBHSA-N -1 0 336.432 2.587 50 0 EFAARM COCCC[C@@]1(C(=O)[O-])CCCN(c2nccc(C(F)(F)F)n2)C1 ZINC000091808715 472811362 /nfs/dbraw/zinc/81/13/62/472811362.db2.gz ZXZZFXUKUWFNIP-AWEZNQCLSA-N -1 0 347.337 2.593 50 0 EFAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2ccc(O)c(Cl)c2)C1 ZINC000091820262 472812433 /nfs/dbraw/zinc/81/24/33/472812433.db2.gz AEFDGKFWRRBZMP-MRXNPFEDSA-N -1 0 325.792 2.692 50 0 EFAARM COC(=O)C[C@@H]1CCN(c2cc(C)nc(-c3ccccc3[O-])n2)C1 ZINC000091998120 472840400 /nfs/dbraw/zinc/84/04/00/472840400.db2.gz NHRMQFLKOBNFNO-ZDUSSCGKSA-N -1 0 327.384 2.547 50 0 EFAARM O=C([O-])[C@@H]1CN(C(=O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1C1CC1 ZINC000092020383 472844723 /nfs/dbraw/zinc/84/47/23/472844723.db2.gz ZSZUQOUTHHYBGZ-UONOGXRCSA-N -1 0 341.329 2.817 50 0 EFAARM CC(C)(C)NS(=O)(=O)c1ccc(-c2ncccc2C(=O)[O-])cc1 ZINC000065349320 472925718 /nfs/dbraw/zinc/92/57/18/472925718.db2.gz TYQOMMMJTCRLOB-UHFFFAOYSA-N -1 0 334.397 2.524 50 0 EFAARM CC1=NO[C@](C)(Cn2cc(Oc3ccccc3)c(=O)c(C(=O)[O-])c2)C1 ZINC000065385804 472931416 /nfs/dbraw/zinc/93/14/16/472931416.db2.gz JBMYJBOBPVLAHF-SFHVURJKSA-N -1 0 342.351 2.894 50 0 EFAARM Cc1ccc(N2CCC(Oc3ccc(Cl)cc3)(C(=O)[O-])CC2)nn1 ZINC000065403597 472935079 /nfs/dbraw/zinc/93/50/79/472935079.db2.gz SGMSGIFDSWNFAI-UHFFFAOYSA-N -1 0 347.802 2.941 50 0 EFAARM CN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1ncccc1C(=O)[O-] ZINC000065435471 472941249 /nfs/dbraw/zinc/94/12/49/472941249.db2.gz WQAVESZSMVJCLD-UHFFFAOYSA-N -1 0 340.358 2.737 50 0 EFAARM O=C([O-])c1cc2n(n1)CCN(C(=O)c1ccccc1-c1ccccc1)C2 ZINC000065463665 472948677 /nfs/dbraw/zinc/94/86/77/472948677.db2.gz RVGNPRGNSZQJAZ-UHFFFAOYSA-N -1 0 347.374 2.904 50 0 EFAARM CCc1ccc(CN(C)c2nc(N)nc3ccc(C(=O)[O-])cc32)nc1 ZINC000065468389 472950649 /nfs/dbraw/zinc/95/06/49/472950649.db2.gz WDGSFZFZUBFHKC-UHFFFAOYSA-N -1 0 337.383 2.504 50 0 EFAARM CO[C@H](CNc1nc(N)nc2ccc(C(=O)[O-])cc21)c1cccs1 ZINC000065491089 472954617 /nfs/dbraw/zinc/95/46/17/472954617.db2.gz NGXBPAVDMKFNRK-GFCCVEGCSA-N -1 0 344.396 2.771 50 0 EFAARM COc1ccccc1-c1nc(CC(=O)N[C@@H](C(=O)[O-])C(C)C)cs1 ZINC000080357744 473018951 /nfs/dbraw/zinc/01/89/51/473018951.db2.gz FRQQOVOZMOVFNI-OAHLLOKOSA-N -1 0 348.424 2.587 50 0 EFAARM Nc1nc(-c2ccc(Br)cc2)nc(C(=O)[O-])c1Cl ZINC000066351898 473079028 /nfs/dbraw/zinc/07/90/28/473079028.db2.gz BTUSKWROSWXMPG-UHFFFAOYSA-N -1 0 328.553 2.840 50 0 EFAARM CCn1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)n1 ZINC000095360219 473190841 /nfs/dbraw/zinc/19/08/41/473190841.db2.gz USFKFFWDCPLXEG-HNNXBMFYSA-N -1 0 327.384 2.621 50 0 EFAARM COc1cc([C@H](C(=O)[O-])N2CCSCC2)cc(C(F)(F)F)c1 ZINC000095361796 473190895 /nfs/dbraw/zinc/19/08/95/473190895.db2.gz OIWMYWCILUNONI-GFCCVEGCSA-N -1 0 335.347 2.889 50 0 EFAARM CCn1nccc1C(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095364542 473192151 /nfs/dbraw/zinc/19/21/51/473192151.db2.gz AVBVQBJAOJSSMK-OAHLLOKOSA-N -1 0 327.384 2.621 50 0 EFAARM CSc1cccc([C@@H](C(=O)[O-])N2CCN(c3ccccn3)CC2)c1 ZINC000095365337 473192639 /nfs/dbraw/zinc/19/26/39/473192639.db2.gz MWKLUHNRJMDMNW-KRWDZBQOSA-N -1 0 343.452 2.751 50 0 EFAARM CCc1nccn1CC(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095366655 473192832 /nfs/dbraw/zinc/19/28/32/473192832.db2.gz KYTDUZJLZBRMRI-MRXNPFEDSA-N -1 0 341.411 2.550 50 0 EFAARM CCOc1ccc(Cl)cc1[C@H](C(=O)[O-])N(C)Cc1cnccn1 ZINC000095380704 473193322 /nfs/dbraw/zinc/19/33/22/473193322.db2.gz ZEQYQQFQLOUXGC-OAHLLOKOSA-N -1 0 335.791 2.786 50 0 EFAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)c1 ZINC000095387976 473194472 /nfs/dbraw/zinc/19/44/72/473194472.db2.gz JCANOEJWROPQOH-CQSZACIVSA-N -1 0 339.395 2.616 50 0 EFAARM CC(C)n1cnnc1CN1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095387262 473194646 /nfs/dbraw/zinc/19/46/46/473194646.db2.gz XYBABNKPQJBROS-MRXNPFEDSA-N -1 0 328.416 2.937 50 0 EFAARM COc1ccc(C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)[O-])cc1 ZINC000221039923 474159372 /nfs/dbraw/zinc/15/93/72/474159372.db2.gz AYYGDDNJPIPCPO-ZFWWWQNUSA-N -1 0 335.400 2.948 50 0 EFAARM CN(CCc1nc2cc(Cl)ccc2[nH]1)C(=O)c1ccncc1[O-] ZINC000223072045 474179263 /nfs/dbraw/zinc/17/92/63/474179263.db2.gz LCFDEMFNBXEGCZ-UHFFFAOYSA-N -1 0 330.775 2.632 50 0 EFAARM CCOc1ccc(S(=O)(=O)Nc2ccn3nccc3c2)cc1C ZINC000225596285 474227837 /nfs/dbraw/zinc/22/78/37/474227837.db2.gz QGWUKKFJLYHPOU-UHFFFAOYSA-N -1 0 331.397 2.842 50 0 EFAARM Cc1[nH]c2c(cccc2F)c1CC(=O)N[C@H]1CC[C@@H](C(=O)[O-])CC1 ZINC000243956986 474564200 /nfs/dbraw/zinc/56/42/00/474564200.db2.gz CFGPSGLHBPGOKM-TXEJJXNPSA-N -1 0 332.375 2.918 50 0 EFAARM O=C(NC[C@H]1CC[C@H](C(=O)[O-])CC1)c1cccc(Cn2cccn2)c1 ZINC000244884346 474568212 /nfs/dbraw/zinc/56/82/12/474568212.db2.gz YKSNPUXNRLTJIV-KOMQPUFPSA-N -1 0 341.411 2.552 50 0 EFAARM CCCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1C ZINC000252506353 474685876 /nfs/dbraw/zinc/68/58/76/474685876.db2.gz WABOVLGHVALFKD-UHFFFAOYSA-N -1 0 348.424 2.684 50 0 EFAARM O=c1[n-]c(-c2ncc(C(F)(F)F)cc2Cl)nc2c1CC[NH2+]C2 ZINC000261494780 474981225 /nfs/dbraw/zinc/98/12/25/474981225.db2.gz GDIQDXFMBWLHCX-UHFFFAOYSA-N -1 0 330.697 2.562 50 0 EFAARM COc1cc(C(=O)[O-])cc(C(=O)N[C@@H]2COC3(C2)CCCCC3)c1 ZINC000426518004 477711814 /nfs/dbraw/zinc/71/18/14/477711814.db2.gz XOTIJWUGTDOZAH-AWEZNQCLSA-N -1 0 333.384 2.615 50 0 EFAARM O=C([O-])c1cccc2c1OC[C@@H](NC(=O)OCc1ccccc1)C2 ZINC000536952728 478280008 /nfs/dbraw/zinc/28/00/08/478280008.db2.gz FMHRBLKBWXQMRD-AWEZNQCLSA-N -1 0 327.336 2.615 50 0 EFAARM CCn1nc(C)c(S(=O)(=O)[N-]c2ccccc2-c2ncco2)c1C ZINC000585136332 479296419 /nfs/dbraw/zinc/29/64/19/479296419.db2.gz AQMFYXXZVKBIKZ-UHFFFAOYSA-N -1 0 346.412 2.976 50 0 EFAARM Cc1nn(-c2ccc(F)cc2)c(C)c1[C@H](NC(=O)C(C)C)C(=O)[O-] ZINC000585145985 479299909 /nfs/dbraw/zinc/29/99/09/479299909.db2.gz PWHAKUQUSQVYES-HNNXBMFYSA-N -1 0 333.363 2.526 50 0 EFAARM CC(C)(C)OC(=O)NC1CCN(c2ccc(CC(=O)[O-])cc2)CC1 ZINC000039321099 534871955 /nfs/dbraw/zinc/87/19/55/534871955.db2.gz DASCFAOWUDYUCK-UHFFFAOYSA-N -1 0 334.416 2.807 50 0 EFAARM COc1ccccc1C1CCN(C(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)CC1 ZINC000426504007 537015589 /nfs/dbraw/zinc/01/55/89/537015589.db2.gz NSXCJNVOAICWDM-LSDHHAIUSA-N -1 0 331.412 2.902 50 0 EFAARM COc1ccc([C@H](NC(=O)OCc2ccccc2)C(=O)[O-])c(OC)c1 ZINC000226769482 545562606 /nfs/dbraw/zinc/56/26/06/545562606.db2.gz XGQRBSUAFCJJJK-INIZCTEOSA-N -1 0 345.351 2.756 50 0 EFAARM CC(=O)c1cn(CCC(=O)N[C@H](CC(C)C)C(=O)[O-])c2ccccc12 ZINC000206412963 545556541 /nfs/dbraw/zinc/55/65/41/545556541.db2.gz DLRUNVXFGVLQAI-MRXNPFEDSA-N -1 0 344.411 2.850 50 0 EFAARM CN(Cc1cc(-c2ccccc2)n[nH]1)C(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000670443567 547490167 /nfs/dbraw/zinc/49/01/67/547490167.db2.gz BAOUJNGXRUIPNZ-OAHLLOKOSA-N -1 0 344.415 2.717 50 0 EFAARM O=C([O-])[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1csc(Br)c1 ZINC000685940259 550196875 /nfs/dbraw/zinc/19/68/75/550196875.db2.gz ATUPWBSVDKCLGX-IVZWLZJFSA-N -1 0 344.230 2.690 50 0 EFAARM Cc1cc2ncc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)cn2n1 ZINC000206739122 564014596 /nfs/dbraw/zinc/01/45/96/564014596.db2.gz KWHMEFYDHSVMKR-UHFFFAOYSA-N -1 0 342.424 2.717 50 0 EFAARM C[C@@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1ccc(O)cc1)c3[O-] ZINC000199908688 564025848 /nfs/dbraw/zinc/02/58/48/564025848.db2.gz KZNMMUBHOBMZMQ-SNVBAGLBSA-N -1 0 336.347 2.782 50 0 EFAARM CCCc1nc(NCc2ccc(OC)c(OC)c2)ncc1C(=O)[O-] ZINC000169751200 564100009 /nfs/dbraw/zinc/10/00/09/564100009.db2.gz OHTLUHADXDFMMC-UHFFFAOYSA-N -1 0 331.372 2.757 50 0 EFAARM Cc1ccc(Cl)cc1NC(=O)N1C[C@@H]2COCC[C@]2(C(=O)[O-])C1 ZINC001772704675 1249287403 /nfs/dbraw/zinc/28/74/03/1249287403.db2.gz DMZJBWXNCDCZQI-BZNIZROVSA-N -1 0 338.791 2.603 50 0 EFAARM CCCOc1ccccc1-c1nnc([N-][C@@H]2CCCCNC2=O)o1 ZINC001772710509 1249298132 /nfs/dbraw/zinc/29/81/32/1249298132.db2.gz XBRSBWBYSAXEKQ-CYBMUJFWSA-N -1 0 330.388 2.606 50 0 EFAARM CCc1nc(C[C@H](C)n2cccn2)n(-c2ccc(C(=O)[O-])cc2)n1 ZINC000952873752 1284899297 /nfs/dbraw/zinc/89/92/97/1284899297.db2.gz NVCVEEQYDYZMRH-LBPRGKRZSA-N -1 0 325.372 2.528 50 0 EFAARM COC(=O)c1cc(Br)c(Br)cc1C(=O)[O-] ZINC000261508549 1292962170 /nfs/dbraw/zinc/96/21/70/1292962170.db2.gz UNFQAXRTTPARHF-UHFFFAOYSA-N -1 0 337.951 2.696 50 0 EFAARM O=C([O-])CCC(=O)N1CCS[C@H]1c1ccc(Br)cc1 ZINC000019809294 1314544059 /nfs/dbraw/zinc/54/40/59/1314544059.db2.gz HITZZSLUJPMGOB-ZDUSSCGKSA-N -1 0 344.230 2.888 50 0 EFAARM CCn1ccnc1Cn1cc(Oc2ccccc2)c(=O)c(C(=O)[O-])c1 ZINC000055054464 1314827006 /nfs/dbraw/zinc/82/70/06/1314827006.db2.gz MDDKNDSTOWFOCU-UHFFFAOYSA-N -1 0 339.351 2.604 50 0 EFAARM CC[C@H](c1ccccn1)N(C)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC001506417511 1405760192 /nfs/dbraw/zinc/76/01/92/1405760192.db2.gz LIGNYXQKFAGFKA-LLVKDONJSA-N -1 0 340.426 2.613 50 0 EFAARM CCC[C@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(C(C)C)cc2)C[C@@H]1O ZINC001704300434 1417901289 /nfs/dbraw/zinc/90/12/89/1417901289.db2.gz VVKZCKOBNMMEOQ-PXNSSMCTSA-N -1 0 347.455 2.817 50 0 EFAARM O=c1oc2cc(OCc3nn[n-]n3)ccc2cc1-c1ccc(F)cc1 ZINC000006225332 1426361154 /nfs/dbraw/zinc/36/11/54/1426361154.db2.gz ZMMZSIZJPYULAT-UHFFFAOYSA-N -1 0 338.298 2.691 50 0 EFAARM Cc1ccc(C2(C(=O)Nc3ccc(Oc4nn[n-]n4)cc3)CC2)cc1 ZINC000825172683 1442037618 /nfs/dbraw/zinc/03/76/18/1442037618.db2.gz HCUOQFKUHIEVQI-UHFFFAOYSA-N -1 0 335.367 2.971 50 0 EFAARM O=C(Nc1ccc(Oc2nnn[n-]2)cc1)c1cccc2cccnc21 ZINC000828176576 1443414470 /nfs/dbraw/zinc/41/44/70/1443414470.db2.gz UUYUCJJTYZWKMI-UHFFFAOYSA-N -1 0 332.323 2.793 50 0 EFAARM COc1cc(CNc2nnn[n-]2)ccc1OCc1ccccc1C ZINC000005019331 1447009867 /nfs/dbraw/zinc/00/98/67/1447009867.db2.gz GWZROOMHUYPJSJ-UHFFFAOYSA-N -1 0 325.372 2.708 50 0 EFAARM O=C(NC[C@H]1CC[C@H](C(=O)[O-])CC1)c1cc(=O)[nH]c2ccccc21 ZINC000326036932 714561615 /nfs/dbraw/zinc/56/16/15/714561615.db2.gz ORXOOHAMGGIXBP-HAQNSBGRSA-N -1 0 328.368 2.561 50 0 EFAARM CCn1c(=O)c(C(=O)NCc2cccc(F)c2)c([O-])c2ccccc21 ZINC000003213007 717374282 /nfs/dbraw/zinc/37/42/82/717374282.db2.gz QZKQHQNEUXZRIK-UHFFFAOYSA-N -1 0 340.354 2.796 50 0 EFAARM CC(=O)c1[nH]c(C)c(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2)c1C ZINC000952972999 939809798 /nfs/dbraw/zinc/80/97/98/939809798.db2.gz RADBRBNBUVOKDY-INIZCTEOSA-N -1 0 328.368 2.698 50 0 EFAARM O=C(NC1CCCCCC1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000005731264 1097926130 /nfs/dbraw/zinc/92/61/30/1097926130.db2.gz ZDCDZXAFZXIWBC-UHFFFAOYSA-N -1 0 326.396 2.716 50 0 EFAARM CC(C)(C)OC(=O)N1CCN(c2ccc3ccc(C(=O)[O-])cn32)CC1 ZINC000091302824 1106561704 /nfs/dbraw/zinc/56/17/04/1106561704.db2.gz SCNBGMWWJQLWPO-UHFFFAOYSA-N -1 0 345.399 2.695 50 0 EFAARM CCOc1cc(C(=O)[O-])ccc1OCC(=O)Nc1ccc(F)cc1 ZINC000004741091 210265749 /nfs/dbraw/zinc/26/57/49/210265749.db2.gz TYVUEUKQFWNQIO-UHFFFAOYSA-N -1 0 333.315 2.940 50 0 EFAARM O=C([O-])Cn1nc(C2CCCC2)nc1CCc1nc2ccccc2[nH]1 ZINC000097654195 219044516 /nfs/dbraw/zinc/04/45/16/219044516.db2.gz NMQPYSJCZQZGQR-UHFFFAOYSA-N -1 0 339.399 2.682 50 0 EFAARM CC(=O)c1cccc(-c2nc(Cc3cccs3)nn2CC(=O)[O-])c1 ZINC000097694980 219048363 /nfs/dbraw/zinc/04/83/63/219048363.db2.gz OEVHEUUXEIHTIP-UHFFFAOYSA-N -1 0 341.392 2.885 50 0 EFAARM CC1=C(c2ccccc2)[C@H]1c1nc(-c2ccncc2)nn1CC(=O)[O-] ZINC000097729489 219051281 /nfs/dbraw/zinc/05/12/81/219051281.db2.gz ZQJKFQMHHJWIII-KRWDZBQOSA-N -1 0 332.363 2.996 50 0 EFAARM CCN1C(=O)N/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1=O ZINC000004700294 210252033 /nfs/dbraw/zinc/25/20/33/210252033.db2.gz QLVTVSGYDZRGBK-UKTHLTGXSA-N -1 0 326.308 2.557 50 0 EFAARM CC(C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000054828344 214257244 /nfs/dbraw/zinc/25/72/44/214257244.db2.gz CZHQINVXCGMFFA-UHFFFAOYSA-N -1 0 336.388 2.765 50 0 EFAARM C[C@H](Cn1cccn1)n1cc(Oc2ccccc2)c(=O)c(C(=O)[O-])c1 ZINC000055089379 214270481 /nfs/dbraw/zinc/27/04/81/214270481.db2.gz SAQLNSSHAJQJAS-CYBMUJFWSA-N -1 0 339.351 2.797 50 0 EFAARM CCc1c2ccccc2[nH]c1-c1nc(CCSC)nn1CC(=O)[O-] ZINC000097756540 219054905 /nfs/dbraw/zinc/05/49/05/219054905.db2.gz NEWSLAGRLYUEGL-UHFFFAOYSA-N -1 0 344.440 2.979 50 0 EFAARM COCCn1c2ccc(C(=O)[O-])cc2n(Cc2ccccc2C)c1=O ZINC000055212084 214289415 /nfs/dbraw/zinc/28/94/15/214289415.db2.gz VAMJVHYDTRRJRQ-UHFFFAOYSA-N -1 0 340.379 2.504 50 0 EFAARM C[C@H](CCc1ccccc1)NC(=O)c1cccc(NCC(=O)[O-])c1 ZINC000055393625 214318567 /nfs/dbraw/zinc/31/85/67/214318567.db2.gz ZCXHNWWIAZFKER-CQSZACIVSA-N -1 0 326.396 2.934 50 0 EFAARM COc1cc(NS(=O)(=O)c2ccccc2)c(Cl)cc1C(=O)[O-] ZINC000004685298 210248064 /nfs/dbraw/zinc/24/80/64/210248064.db2.gz LZXRKYIVYWKSEA-UHFFFAOYSA-N -1 0 341.772 2.848 50 0 EFAARM Cc1cc(NC(=O)c2csc([N-]c3nc(C)cc(C)n3)n2)no1 ZINC000056924627 214395377 /nfs/dbraw/zinc/39/53/77/214395377.db2.gz CQVZIJIRHYPVBR-UHFFFAOYSA-N -1 0 330.373 2.842 50 0 EFAARM CC(C)C(=O)Nc1ccc(I)cc1C(=O)[O-] ZINC000004670427 210242296 /nfs/dbraw/zinc/24/22/96/210242296.db2.gz DBBWLYVXHPTBDG-UHFFFAOYSA-N -1 0 333.125 2.584 50 0 EFAARM COc1ccc(Cl)cc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000004655658 210238957 /nfs/dbraw/zinc/23/89/57/210238957.db2.gz YBQQHQBIVPEHNY-UHFFFAOYSA-N -1 0 331.711 2.847 50 0 EFAARM COC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000004646592 210236641 /nfs/dbraw/zinc/23/66/41/210236641.db2.gz JNOPBKWZCJZEDV-DNIRFERGSA-N -1 0 349.408 2.613 50 0 EFAARM COC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCCC2 ZINC000004628686 210234900 /nfs/dbraw/zinc/23/49/00/210234900.db2.gz CARAIMIKPLYJPH-UHFFFAOYSA-N -1 0 325.386 2.607 50 0 EFAARM CC[C@@H]1CN(CCc2ccc(OC)c(OC)c2)C(=O)C[C@H]1CC(=O)[O-] ZINC000004565757 210221712 /nfs/dbraw/zinc/22/17/12/210221712.db2.gz AJGVAXFKPKXRHA-CABCVRRESA-N -1 0 349.427 2.596 50 0 EFAARM O=C([O-])c1ccc(NC(=O)c2ccc(Br)o2)cc1O ZINC000004520054 210212298 /nfs/dbraw/zinc/21/22/98/210212298.db2.gz MDUNMVSLYIRHNW-UHFFFAOYSA-N -1 0 326.102 2.698 50 0 EFAARM O=C([O-])[C@@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2 ZINC000049467077 214009947 /nfs/dbraw/zinc/00/99/47/214009947.db2.gz NOMFZOJMJFQLRP-CJNGLKHVSA-N -1 0 329.396 2.802 50 0 EFAARM O=c1c2[n-][nH]n(Cc3ccccc3)c=2c(=O)n1-c1ccc(Cl)cc1 ZINC000004483437 210199857 /nfs/dbraw/zinc/19/98/57/210199857.db2.gz GBGSFOLWOKWITG-CABCVRRESA-N -1 0 340.770 2.833 50 0 EFAARM CCn1c(=O)c(C(=O)NCc2ccccc2F)c([O-])c2ccccc21 ZINC000100520058 219101479 /nfs/dbraw/zinc/10/14/79/219101479.db2.gz NCJFXWOGDMRIAI-UHFFFAOYSA-N -1 0 340.354 2.796 50 0 EFAARM COc1ccc(NC(=O)c2c([O-])c3sccc3n(C)c2=O)c(C)c1 ZINC000049409492 214005873 /nfs/dbraw/zinc/00/58/73/214005873.db2.gz XNIZLZVJXYVWNX-UHFFFAOYSA-N -1 0 344.392 2.875 50 0 EFAARM CCCCCCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100613648 219103070 /nfs/dbraw/zinc/10/30/70/219103070.db2.gz NNJFYVRULQCYBW-UHFFFAOYSA-N -1 0 328.412 2.963 50 0 biogenic EFAARM CCN1C(=O)S/C(=C/c2cn(CC(=O)[O-])c3ccccc23)C1=O ZINC000004457211 210193452 /nfs/dbraw/zinc/19/34/52/210193452.db2.gz OSLIGEWBPVEFBR-NTUHNPAUSA-N -1 0 330.365 2.782 50 0 EFAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2cnccn2)c1=O ZINC000100819131 219108134 /nfs/dbraw/zinc/10/81/34/219108134.db2.gz AGNYNEXWFXSGRE-UHFFFAOYSA-N -1 0 338.367 2.550 50 0 EFAARM Cn1cc(/C=C2\SC(=O)N(CCC(=O)[O-])C2=O)c2ccccc21 ZINC000004371898 210181307 /nfs/dbraw/zinc/18/13/07/210181307.db2.gz IGYSDQQBCVCAGD-JYRVWZFOSA-N -1 0 330.365 2.689 50 0 EFAARM O=c1c2[n-][nH]n(Cc3ccccc3)c=2c(=O)n1-c1ccc(Cl)cc1 ZINC000101167119 219117901 /nfs/dbraw/zinc/11/79/01/219117901.db2.gz GBGSFOLWOKWITG-GJZGRUSLSA-N -1 0 340.770 2.833 50 0 EFAARM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1C ZINC000101260622 219119583 /nfs/dbraw/zinc/11/95/83/219119583.db2.gz NUBFZPIQFUMWNY-HOTGVXAUSA-N -1 0 338.342 2.940 50 0 EFAARM CN(C)c1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)[O-])cc1 ZINC000101265883 219120586 /nfs/dbraw/zinc/12/05/86/219120586.db2.gz FCFVXTOPXJMXJB-UHFFFAOYSA-N -1 0 339.347 2.989 50 0 EFAARM O=c1c2[n-][nH]n(-c3ccc(F)cc3)c=2c(=O)n1-c1cccc(Cl)c1 ZINC000101277739 219121841 /nfs/dbraw/zinc/12/18/41/219121841.db2.gz OERRKNSIEISAOU-ZIAGYGMSSA-N -1 0 344.733 2.977 50 0 EFAARM COc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2nc(-c3ccccc3)nn21 ZINC000101447013 219127650 /nfs/dbraw/zinc/12/76/50/219127650.db2.gz KGZNIPFIIBCYDX-OAHLLOKOSA-N -1 0 348.362 2.937 50 0 EFAARM O=C([O-])CSCCCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000004247156 210150838 /nfs/dbraw/zinc/15/08/38/210150838.db2.gz SQXPHIIZHOUKGV-UHFFFAOYSA-N -1 0 329.377 2.644 50 0 EFAARM CCn1cc(-c2nnc(SCC(=O)[O-])n2-c2ccccc2)c(C)n1 ZINC000065405647 214896763 /nfs/dbraw/zinc/89/67/63/214896763.db2.gz BACIZBMVFGARAQ-UHFFFAOYSA-N -1 0 343.412 2.636 50 0 EFAARM CCOC(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])cc1 ZINC000004197691 210144133 /nfs/dbraw/zinc/14/41/33/210144133.db2.gz AZXGDECSBDFRMU-OSRDXIQISA-N -1 0 331.368 2.549 50 0 EFAARM O=C([O-])c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1 ZINC000003913625 210094846 /nfs/dbraw/zinc/09/48/46/210094846.db2.gz FPDXNOQMUBINIO-UHFFFAOYSA-N -1 0 345.170 2.714 50 0 EFAARM Cc1c2c(cc(=O)n1Cc1ccccn1)[n-]n(-c1ccccc1)c2=O ZINC000102492528 219206553 /nfs/dbraw/zinc/20/65/53/219206553.db2.gz KYKOHHQRFNCEKD-UHFFFAOYSA-N -1 0 332.363 2.596 50 0 EFAARM COc1cc(-n2nc(C(=O)[O-])c3ccccc32)ccc1NC(C)=O ZINC000067834358 215224180 /nfs/dbraw/zinc/22/41/80/215224180.db2.gz PUANLDHBDVDLIN-UHFFFAOYSA-N -1 0 325.324 2.691 50 0 EFAARM CC(=O)NCc1cccc(-n2ccnc2-c2cccc(C(=O)[O-])c2)c1 ZINC000067920794 215250847 /nfs/dbraw/zinc/25/08/47/215250847.db2.gz WJYJBLRSLAFUIM-UHFFFAOYSA-N -1 0 335.363 2.874 50 0 EFAARM Cc1cccc(-c2nn(-c3ccc(-n4cnnc4)nc3)cc2C(=O)[O-])c1 ZINC000067982221 215266324 /nfs/dbraw/zinc/26/63/24/215266324.db2.gz FDJUKXXZBZVULG-UHFFFAOYSA-N -1 0 346.350 2.522 50 0 EFAARM COC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000002767013 209905897 /nfs/dbraw/zinc/90/58/97/209905897.db2.gz DDWOQNVDSJRUGO-GHMZBOCLSA-N -1 0 339.413 2.981 50 0 EFAARM O=C([O-])C1(NC(=O)c2ccc(Br)cc2)CCCCC1 ZINC000013168178 304032709 /nfs/dbraw/zinc/03/27/09/304032709.db2.gz WNTGRWFUZMODSI-UHFFFAOYSA-N -1 0 326.190 2.966 50 0 EFAARM COc1ccc(Oc2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)cc1 ZINC000040451248 213305443 /nfs/dbraw/zinc/30/54/43/213305443.db2.gz YGNMDVDHWRCYNL-GFCCVEGCSA-N -1 0 327.336 2.925 50 0 EFAARM Cc1nn2c(ncc3c2ccn([C@@H](C)C(=O)[O-])c3=O)c1-c1ccccc1 ZINC000040396271 213297788 /nfs/dbraw/zinc/29/77/88/213297788.db2.gz QTSQQRQPFYCCDI-LBPRGKRZSA-N -1 0 348.362 2.665 50 0 EFAARM O=C([O-])C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC000004219192 304034616 /nfs/dbraw/zinc/03/46/16/304034616.db2.gz WYBTVYZKUNBNBH-UHFFFAOYSA-N -1 0 333.203 2.620 50 0 EFAARM O=C([O-])C1(Oc2ccccc2F)CCN(C(=O)[C@H]2CC23CCC3)CC1 ZINC000072479340 304034727 /nfs/dbraw/zinc/03/47/27/304034727.db2.gz CLNJMTZTROWBFE-CYBMUJFWSA-N -1 0 347.386 2.841 50 0 EFAARM COc1ccc(-c2nc(C)c(C(=O)N[C@H](C(=O)[O-])C(C)C)s2)cc1 ZINC000040309514 213290525 /nfs/dbraw/zinc/29/05/25/213290525.db2.gz YOSUBBMCSCUBKO-ZDUSSCGKSA-N -1 0 348.424 2.966 50 0 biogenic EFAARM O=C([O-])CC1(CC(=O)Nc2ccccc2N2CCOCC2)CCCC1 ZINC000000153624 304043533 /nfs/dbraw/zinc/04/35/33/304043533.db2.gz ZEDGWSVJZFFNJQ-UHFFFAOYSA-N -1 0 346.427 2.887 50 0 EFAARM O=C(CSc1nnc(Cc2cccnc2)c(=O)[n-]1)c1ccccc1 ZINC000036646243 213107348 /nfs/dbraw/zinc/10/73/48/213107348.db2.gz BZFSWVRNLMLEDW-UHFFFAOYSA-N -1 0 338.392 2.538 50 0 EFAARM CN(C)C(=O)CCc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000036565618 213100930 /nfs/dbraw/zinc/10/09/30/213100930.db2.gz VFWKIFMJHJGHRN-UHFFFAOYSA-N -1 0 340.379 2.658 50 0 EFAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccn(Cc2ccc(Cl)cc2)n1 ZINC000071282503 215752078 /nfs/dbraw/zinc/75/20/78/215752078.db2.gz LTVNDDGLWBVQKK-KGLIPLIRSA-N -1 0 347.802 2.880 50 0 EFAARM O=C([O-])c1cccc(C[C@@H]2CCN(C(=O)CCn3cccc3)C2)c1 ZINC000072151779 216039577 /nfs/dbraw/zinc/03/95/77/216039577.db2.gz VJIIVLHFWCOSLW-INIZCTEOSA-N -1 0 326.396 2.668 50 0 EFAARM COCC1(C(=O)N2CCC[C@@H](Cc3ccc(C(=O)[O-])cc3)C2)CCC1 ZINC000072156778 216045729 /nfs/dbraw/zinc/04/57/29/216045729.db2.gz SZUWQXHTLMDVPV-INIZCTEOSA-N -1 0 345.439 2.983 50 0 EFAARM O=C([O-])c1ccccc1[C@H]1CCN(C(=O)c2cc(C3CC3)n[nH]2)C1 ZINC000072164404 216053536 /nfs/dbraw/zinc/05/35/36/216053536.db2.gz UVWSXUCUPCXVQE-LBPRGKRZSA-N -1 0 325.368 2.615 50 0 EFAARM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000000371904 209555771 /nfs/dbraw/zinc/55/57/71/209555771.db2.gz ADYZEWYJZJTWKY-UHFFFAOYSA-N -1 0 339.373 2.661 50 0 EFAARM COc1ccccc1C(=O)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC000000312306 209530902 /nfs/dbraw/zinc/53/09/02/209530902.db2.gz YGHRYSXORQQDKJ-UHFFFAOYSA-N -1 0 330.365 2.520 50 0 EFAARM Cc1c(NC(=S)NC(=O)Cc2ccccc2)cccc1C(=O)[O-] ZINC000000311766 209530240 /nfs/dbraw/zinc/53/02/40/209530240.db2.gz ZKNITGHNFNFMLL-UHFFFAOYSA-N -1 0 328.393 2.749 50 0 EFAARM O=C([O-])c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000258618 209507151 /nfs/dbraw/zinc/50/71/51/209507151.db2.gz PXYBNPFJNMXCCB-UHFFFAOYSA-N -1 0 325.773 2.517 50 0 EFAARM Cc1ccccc1Cn1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cn1 ZINC000000205177 209483405 /nfs/dbraw/zinc/48/34/05/209483405.db2.gz FXDHGAUQECTXSQ-SJORKVTESA-N -1 0 339.395 2.845 50 0 EFAARM Cn1nc(C2CC2)cc1NC(=O)C[C@@H](CC(=O)[O-])c1ccccc1 ZINC000000152785 209455912 /nfs/dbraw/zinc/45/59/12/209455912.db2.gz FTOSQWOFUTXEBS-AWEZNQCLSA-N -1 0 327.384 2.885 50 0 EFAARM O=C([O-])c1nccnc1C(=O)Nc1cc(Cl)ccc1-n1cccc1 ZINC000072406316 216196705 /nfs/dbraw/zinc/19/67/05/216196705.db2.gz GNUKPOBDKDWNKY-UHFFFAOYSA-N -1 0 342.742 2.871 50 0 EFAARM CCOC(=O)C[C@H](c1c([O-])c2ccccc2[nH]c1=O)C(F)(F)F ZINC000072406148 216197073 /nfs/dbraw/zinc/19/70/73/216197073.db2.gz WKEPGAVWHYLHEQ-SECBINFHSA-N -1 0 329.274 2.833 50 0 EFAARM C[C@@H](C(=O)N1CCC(Oc2ccccc2)(C(=O)[O-])CC1)n1cccc1 ZINC000072408839 216199594 /nfs/dbraw/zinc/19/95/94/216199594.db2.gz YKUMLTSBVZFVMZ-HNNXBMFYSA-N -1 0 342.395 2.574 50 0 EFAARM Cc1oc(C(C)C)cc1C(=O)N1CCn2nc(CCC(=O)[O-])cc2C1 ZINC000072418387 216206797 /nfs/dbraw/zinc/20/67/97/216206797.db2.gz XDADDPIEKOHDIV-UHFFFAOYSA-N -1 0 345.399 2.581 50 0 EFAARM CC/C=C/CC(=O)N1CCC(Oc2ccccc2OC)(C(=O)[O-])CC1 ZINC000072417838 216206847 /nfs/dbraw/zinc/20/68/47/216206847.db2.gz YEOUCDIUJPNISJ-SNAWJCMRSA-N -1 0 347.411 2.876 50 0 EFAARM CC(C)c1ccn(C2(C(=O)[O-])CCN(C(=O)c3cccs3)CC2)n1 ZINC000072412518 216205083 /nfs/dbraw/zinc/20/50/83/216205083.db2.gz LOEOKMZWRFSFEP-UHFFFAOYSA-N -1 0 347.440 2.784 50 0 EFAARM Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)[C@@H]3CC=CCC3)CC2)cn1 ZINC000072420953 216209330 /nfs/dbraw/zinc/20/93/30/216209330.db2.gz AVCLEHIODRQYHY-OAHLLOKOSA-N -1 0 344.411 2.571 50 0 EFAARM CCC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000081231 209407352 /nfs/dbraw/zinc/40/73/52/209407352.db2.gz CXMLYFBILSRFOH-GFCCVEGCSA-N -1 0 348.428 2.652 50 0 EFAARM COC(=O)c1sccc1NC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000000070094 209399696 /nfs/dbraw/zinc/39/96/96/209399696.db2.gz KEWKOHHMZAYKDK-MNOVXSKESA-N -1 0 337.397 2.920 50 0 EFAARM COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000000067396 209398196 /nfs/dbraw/zinc/39/81/96/209398196.db2.gz WQVGFKAYHAUMLS-UHFFFAOYSA-N -1 0 341.772 2.848 50 0 EFAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)COc2ccc(C)cc2)c1 ZINC000000063646 209396284 /nfs/dbraw/zinc/39/62/84/209396284.db2.gz QLMVIDYPIAELMH-UHFFFAOYSA-N -1 0 349.408 2.512 50 0 EFAARM CCOc1ccc(-c2ccnc(NC[C@@H]3CCCO3)n2)cc1C(=O)[O-] ZINC000072469296 216249199 /nfs/dbraw/zinc/24/91/99/216249199.db2.gz BSUVHISTOYRLLZ-ZDUSSCGKSA-N -1 0 343.383 2.831 50 0 EFAARM Cc1ccc2nc(-c3ccc(C(=O)[O-])cc3)c(CC(=O)N(C)C)n2c1 ZINC000022067509 212275660 /nfs/dbraw/zinc/27/56/60/212275660.db2.gz FELZONDEFBLTSP-UHFFFAOYSA-N -1 0 337.379 2.639 50 0 in-vitro EFAARM O=C([O-])COc1ccccc1CN1CCN(Cc2cccs2)CC1 ZINC000215231200 241113953 /nfs/dbraw/zinc/11/39/53/241113953.db2.gz IJKBUKUUBMAXGR-UHFFFAOYSA-N -1 0 346.452 2.529 50 0 EFAARM O=C([O-])COc1ccc(-c2ncccc2C(=O)N2CCCCC2)cc1 ZINC000215275527 241117160 /nfs/dbraw/zinc/11/71/60/241117160.db2.gz BYOAWNIUHTXCGF-UHFFFAOYSA-N -1 0 340.379 2.838 50 0 EFAARM COC(=O)C[C@H](CC(C)C)c1c(=O)nc2ccc(Cl)cn2c1[O-] ZINC000206050196 241043385 /nfs/dbraw/zinc/04/33/85/241043385.db2.gz UNVQMIXKAJDIJU-JTQLQIEISA-N -1 0 338.791 2.746 50 0 EFAARM Cn1nccc1-c1cccc(-c2cncc(SCC(=O)[O-])n2)c1 ZINC000216481650 241194819 /nfs/dbraw/zinc/19/48/19/241194819.db2.gz REEBBJKKMLFIAH-UHFFFAOYSA-N -1 0 326.381 2.721 50 0 EFAARM C[C@@H](c1ccc(-c2ccc(CC(=O)[O-])cn2)cc1)N1CCOCC1 ZINC000215429601 241124742 /nfs/dbraw/zinc/12/47/42/241124742.db2.gz DZTFFSJHBWETNI-AWEZNQCLSA-N -1 0 326.396 2.769 50 0 EFAARM O=C([O-])/C=C/c1cccc(NC(=S)NC(=O)c2ccccc2)c1 ZINC000226322968 242097742 /nfs/dbraw/zinc/09/77/42/242097742.db2.gz BOJDXDXDXUGOJW-MDZDMXLPSA-N -1 0 326.377 2.911 50 0 EFAARM COc1ccc(F)cc1[C@@H](Nc1ccnc(C(=O)[O-])c1)[C@H]1C[C@@H](O)C1 ZINC000244773988 243078645 /nfs/dbraw/zinc/07/86/45/243078645.db2.gz PKCLHOVNKZCSMF-GDKCJGSASA-N -1 0 346.358 2.852 50 0 EFAARM Cc1nc(C)c(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1 ZINC000020762095 212170556 /nfs/dbraw/zinc/17/05/56/212170556.db2.gz FGSNGDKRDOZNNC-CQSZACIVSA-N -1 0 343.408 2.667 50 0 biogenic EFAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2csc(-c3ccccc3F)n2)C1 ZINC000020736371 212167039 /nfs/dbraw/zinc/16/70/39/212167039.db2.gz NWOSOPHZFIYSOG-NSHDSACASA-N -1 0 348.399 2.815 50 0 EFAARM CC[C@@H](C)[C@H](NC(=O)CCn1ccc2cc(OC)ccc21)C(=O)[O-] ZINC000020761828 212170354 /nfs/dbraw/zinc/17/03/54/212170354.db2.gz SXNVCHDJRLCHSL-PXAZEXFGSA-N -1 0 332.400 2.656 50 0 biogenic EFAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(F)cc2nc[nH]c21 ZINC000237979708 304141590 /nfs/dbraw/zinc/14/15/90/304141590.db2.gz PNAXYGGRTLFQLN-HERUPUMHSA-N -1 0 331.347 2.560 50 0 EFAARM C[C@@H](NC(=O)c1c(C(=O)[O-])cnn1C)c1ccc(C(C)(C)C)cc1 ZINC000020615022 212155855 /nfs/dbraw/zinc/15/58/55/212155855.db2.gz SEKNYGIALBDVTG-LLVKDONJSA-N -1 0 329.400 2.907 50 0 EFAARM CCn1cc(-c2cc(C(F)F)c3c(C)nn(CC(=O)[O-])c3n2)cn1 ZINC000020349780 212121727 /nfs/dbraw/zinc/12/17/27/212121727.db2.gz WBSOYVWGOUNQKL-UHFFFAOYSA-N -1 0 335.314 2.645 50 0 EFAARM O=C([O-])c1ccc(CSc2nc(C(F)(F)F)cc(=O)[nH]2)cc1 ZINC000020394593 212124573 /nfs/dbraw/zinc/12/45/73/212124573.db2.gz XKBIRBMMIAPIIM-UHFFFAOYSA-N -1 0 330.287 2.779 50 0 EFAARM O=C([O-])C1CCN(S(=O)(=O)c2cc(Cl)sc2Cl)CC1 ZINC000020284662 212116031 /nfs/dbraw/zinc/11/60/31/212116031.db2.gz VGQHHDOIAUKMIO-UHFFFAOYSA-N -1 0 344.241 2.540 50 0 EFAARM O=C([O-])c1ccc(-n2nnnc2SC[C@@H]2CC2(Cl)Cl)cc1 ZINC000019853466 212076327 /nfs/dbraw/zinc/07/63/27/212076327.db2.gz PEEVHDPWFBSBTR-QMMMGPOBSA-N -1 0 345.211 2.646 50 0 EFAARM O=C([O-])C1(NC(=O)NCc2cccc(Br)c2)CCCC1 ZINC000019258576 212010105 /nfs/dbraw/zinc/01/01/05/212010105.db2.gz SZPRVIXVJJYTMS-UHFFFAOYSA-N -1 0 341.205 2.646 50 0 EFAARM CCSc1nnc(-c2cc(Br)ccc2N)c(=O)[n-]1 ZINC000018191201 211987512 /nfs/dbraw/zinc/98/75/12/211987512.db2.gz QBQFCTBQWCRDIR-UHFFFAOYSA-N -1 0 327.207 2.701 50 0 EFAARM O=C([O-])c1ccc(-n2nnnc2SCc2ccc(F)cc2)cc1 ZINC000015869102 211866500 /nfs/dbraw/zinc/86/65/00/211866500.db2.gz VKGIRWOSTNCJIF-UHFFFAOYSA-N -1 0 330.344 2.792 50 0 EFAARM COc1cc(OC)c(-c2nc3cc(C(=O)[O-])ccc3[nH]2)cc1OC ZINC000015022204 211790649 /nfs/dbraw/zinc/79/06/49/211790649.db2.gz TUTIMRMHFNTNKL-UHFFFAOYSA-N -1 0 328.324 2.954 50 0 EFAARM CCN(CC)C(=O)c1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000012403811 211369645 /nfs/dbraw/zinc/36/96/45/211369645.db2.gz INJPEKRSUUKNGB-JKSUJKDBSA-N -1 0 346.427 2.998 50 0 EFAARM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccccc2Cl)s1 ZINC000012379813 211362313 /nfs/dbraw/zinc/36/23/13/211362313.db2.gz OBLDOWLIYRXQQE-UHFFFAOYSA-N -1 0 331.806 2.556 50 0 EFAARM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2cccc(Cl)c2)s1 ZINC000012379809 211361997 /nfs/dbraw/zinc/36/19/97/211361997.db2.gz IJERLYQSIYYTRJ-UHFFFAOYSA-N -1 0 331.806 2.556 50 0 EFAARM CCCNC(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000012138549 211303298 /nfs/dbraw/zinc/30/32/98/211303298.db2.gz JLHRJHDECOQVRA-UHFFFAOYSA-N -1 0 326.352 2.777 50 0 EFAARM CCN(C(=O)c1ccc(NC(=O)/C=C/C(=O)[O-])cc1)c1ccccc1 ZINC000012138860 211302896 /nfs/dbraw/zinc/30/28/96/211302896.db2.gz YZYLIFLUHDJFRM-OUKQBFOZSA-N -1 0 338.363 2.933 50 0 EFAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(OC)c(C)c2)C1 ZINC000091493884 218014527 /nfs/dbraw/zinc/01/45/27/218014527.db2.gz FGYVLQYDZCBWRZ-IBGZPJMESA-N -1 0 349.427 2.737 50 0 EFAARM CCOc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1OC ZINC000011948126 211274033 /nfs/dbraw/zinc/27/40/33/211274033.db2.gz CYNKOBAXNTVUBW-ZIAGYGMSSA-N -1 0 335.400 2.601 50 0 EFAARM Cc1cc(Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)ncn1 ZINC000011902791 211265079 /nfs/dbraw/zinc/26/50/79/211265079.db2.gz LGARBGUETVROEF-UHFFFAOYSA-N -1 0 347.425 2.786 50 0 EFAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2cc(C)ccc2C)C1 ZINC000091605068 218031115 /nfs/dbraw/zinc/03/11/15/218031115.db2.gz AOUBHKAHUSWWTQ-HXUWFJFHSA-N -1 0 347.455 2.966 50 0 EFAARM Cn1cc(C(=O)N2C[C@@H](c3ccncc3)[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000091679795 218047226 /nfs/dbraw/zinc/04/72/26/218047226.db2.gz QQUAWPQDOIZAQU-DOTOQJQBSA-N -1 0 349.390 2.514 50 0 EFAARM O=C([O-])[C@@H]1CN(C(=O)Cc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000091694409 218049406 /nfs/dbraw/zinc/04/94/06/218049406.db2.gz GKFMGBDTSZBXLB-DLBZAZTESA-N -1 0 327.355 2.695 50 0 EFAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)NCCc2ccccc2)C1 ZINC000091663076 218042261 /nfs/dbraw/zinc/04/22/61/218042261.db2.gz AUEAYMDHECCKMB-LJQANCHMSA-N -1 0 348.443 2.532 50 0 EFAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc3c(c2)CCC3)C1 ZINC000091736209 218056365 /nfs/dbraw/zinc/05/63/65/218056365.db2.gz OSEMXSGISTULCW-HXUWFJFHSA-N -1 0 345.439 2.909 50 0 EFAARM Cc1ccccc1[C@@H]1CN(Cc2noc(C(C)C)n2)C[C@H]1C(=O)[O-] ZINC000091745452 218056856 /nfs/dbraw/zinc/05/68/56/218056856.db2.gz UECFIKIRPHMGEX-LSDHHAIUSA-N -1 0 329.400 2.802 50 0 EFAARM Cc1ccc(O)c(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC000091745431 218057519 /nfs/dbraw/zinc/05/75/19/218057519.db2.gz VTKPCQNCUJIVNI-JKSUJKDBSA-N -1 0 325.364 2.641 50 0 EFAARM Cc1cc(N2CCC(n3cnnc3)CC2)nc(-c2ccccc2[O-])n1 ZINC000091966340 218097480 /nfs/dbraw/zinc/09/74/80/218097480.db2.gz QJKMWDCBKZBHIH-UHFFFAOYSA-N -1 0 336.399 2.591 50 0 EFAARM C[C@]1(Cc2ccc3c(c2)OCO3)CCC(=O)N(CCCCC(=O)[O-])C1 ZINC000091974339 218097530 /nfs/dbraw/zinc/09/75/30/218097530.db2.gz FYJHYZPGHCXODG-LJQANCHMSA-N -1 0 347.411 2.841 50 0 EFAARM CC(C)=CC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2ccc(CO)cc2)C1 ZINC000092001869 218102155 /nfs/dbraw/zinc/10/21/55/218102155.db2.gz REJGKPJOLFPPEM-HXUWFJFHSA-N -1 0 345.439 2.771 50 0 EFAARM CCc1cc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](C(=O)[O-])C2)ccn1 ZINC000092065841 218113338 /nfs/dbraw/zinc/11/33/38/218113338.db2.gz VUZAAQBMVXCKSQ-DLBZAZTESA-N -1 0 342.370 2.724 50 0 EFAARM O=C([O-])[C@@H](NC(=O)COc1ccccc1)C12CC3CC(CC(C3)C1)C2 ZINC000010272133 211159775 /nfs/dbraw/zinc/15/97/75/211159775.db2.gz QVPDZZBBSURWRM-XAPRQVHKSA-N -1 0 343.423 2.851 50 0 EFAARM CC(C)CNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000010055000 211145644 /nfs/dbraw/zinc/14/56/44/211145644.db2.gz UATRLGPXEBKAMQ-UHFFFAOYSA-N -1 0 338.454 2.935 50 0 EFAARM COc1ccc(-n2[n-]c(-c3ccc(OC)c(OC)c3)cc2=O)cc1 ZINC000009939690 211135218 /nfs/dbraw/zinc/13/52/18/211135218.db2.gz RGWBWVCNTNCSAT-UHFFFAOYSA-N -1 0 326.352 2.858 50 0 EFAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2 ZINC000009828276 211125983 /nfs/dbraw/zinc/12/59/83/211125983.db2.gz IVJHODMDKYQKSE-UHFFFAOYSA-N -1 0 346.408 2.689 50 0 EFAARM O=C1CCc2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc2N1 ZINC000009828269 211125645 /nfs/dbraw/zinc/12/56/45/211125645.db2.gz PKKURHQFCXYSSK-UHFFFAOYSA-N -1 0 338.335 2.650 50 0 EFAARM O=C([O-])c1ccc(N2C(=S)N=NC2c2ccc3c(c2)OCO3)cc1 ZINC000009305776 211063821 /nfs/dbraw/zinc/06/38/21/211063821.db2.gz AXELANRGCLVCPF-UHFFFAOYSA-N -1 0 341.348 2.650 50 0 EFAARM CCn1nc(C)cc1C(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095357609 218290540 /nfs/dbraw/zinc/29/05/40/218290540.db2.gz 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CCn1nccc1C(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095376634 218309208 /nfs/dbraw/zinc/30/92/08/218309208.db2.gz OCIYTPPKYJIPCS-OAHLLOKOSA-N -1 0 327.384 2.621 50 0 EFAARM O=C([O-])C[C@]1(C(=O)NC2CCCCC2)CC(Cc2ccccc2)=NO1 ZINC000006662803 210674231 /nfs/dbraw/zinc/67/42/31/210674231.db2.gz BFHSDGDCKBMORD-IBGZPJMESA-N -1 0 344.411 2.668 50 0 EFAARM CC(C)C[C@H](NC(=O)Cc1ccc2c(c1)CCC(C)(C)O2)C(=O)[O-] ZINC000096221925 218698059 /nfs/dbraw/zinc/69/80/59/218698059.db2.gz SYMIFDQPTIUFBO-HNNXBMFYSA-N -1 0 333.428 2.948 50 0 biogenic EFAARM O=C([O-])c1ccc(I)c(F)c1Br ZINC000098210739 304245929 /nfs/dbraw/zinc/24/59/29/304245929.db2.gz KCCKIIUHBMIBMO-UHFFFAOYSA-N -1 0 344.905 2.891 50 0 EFAARM O=C([O-])c1ccc([C@@H]2CC(=O)Nc3ccc4nsnc4c32)cc1 ZINC000096223283 304250297 /nfs/dbraw/zinc/25/02/97/304250297.db2.gz SBHZYOIYODOOCN-JTQLQIEISA-N -1 0 325.349 2.864 50 0 EFAARM O=C([O-])c1ccc([C@H]2CC(=O)Nc3ccc4nsnc4c32)cc1 ZINC000096223284 304250872 /nfs/dbraw/zinc/25/08/72/304250872.db2.gz 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210294525 /nfs/dbraw/zinc/29/45/25/210294525.db2.gz PZUFJJVCCIFCJD-QOBDMFJFSA-N -1 0 347.411 2.833 50 0 EFAARM O=C([O-])c1cccc(N2CCC[C@H](c3nccn3CC3CC3)C2)n1 ZINC000095517369 304261831 /nfs/dbraw/zinc/26/18/31/304261831.db2.gz HWPFLVJOBGJZIP-AWEZNQCLSA-N -1 0 326.400 2.770 50 0 EFAARM O=C([O-])c1cccc(NC(=O)[C@@H]2CC(=O)O[C@@H]2c2ccccc2)c1 ZINC000000617685 304262812 /nfs/dbraw/zinc/26/28/12/304262812.db2.gz ZLKSYHINXQLYIC-GDBMZVCRSA-N -1 0 325.320 2.628 50 0 EFAARM O=C([O-])c1cccc(NC2=C(Cl)C(=O)N(c3ccccc3)C2=O)c1 ZINC000000118731 258047289 /nfs/dbraw/zinc/04/72/89/258047289.db2.gz FOUYVXMZWZAALL-UHFFFAOYSA-N -1 0 342.738 2.821 50 0 EFAARM Cc1ccc(OC2CN(C(=O)[C@@H](C(=O)[O-])C3CCCCC3)C2)cc1 ZINC000299789157 258095508 /nfs/dbraw/zinc/09/55/08/258095508.db2.gz XNMKNLZGUKWXDY-KRWDZBQOSA-N -1 0 331.412 2.866 50 0 EFAARM O=C(CCc1cc(=O)[n-]o1)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000299794887 258099647 /nfs/dbraw/zinc/09/96/47/258099647.db2.gz LOZWXNCASOTOPM-GFCCVEGCSA-N -1 0 341.367 2.860 50 0 EFAARM O=C([O-])C[C@]1(c2ccccc2)CC(=O)N(CC2CCCCC2)C1=O ZINC000299794797 258099903 /nfs/dbraw/zinc/09/99/03/258099903.db2.gz JZMYGEHKIYQYNK-IBGZPJMESA-N -1 0 329.396 2.738 50 0 EFAARM Cc1cccc(N2C(=O)C[C@H](Sc3ncccc3C(=O)[O-])C2=O)c1 ZINC000000465464 258048445 /nfs/dbraw/zinc/04/84/45/258048445.db2.gz VFJVNWXOXRXWIO-ZDUSSCGKSA-N -1 0 342.376 2.512 50 0 EFAARM O=C([O-])c1ccc(Cl)c(-c2cc(NCCO)nc3[nH]ccc32)c1 ZINC000072161232 258064500 /nfs/dbraw/zinc/06/45/00/258064500.db2.gz MOALAOUIQXKVKE-UHFFFAOYSA-N -1 0 331.759 2.986 50 0 EFAARM O=C([O-])c1sc(Br)cc1I ZINC000083351211 304285728 /nfs/dbraw/zinc/28/57/28/304285728.db2.gz CJFDZTGODIPKKJ-UHFFFAOYSA-N -1 0 332.944 2.813 50 0 EFAARM COC(=O)c1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])nsc32)cc1 ZINC000071283489 292016654 /nfs/dbraw/zinc/01/66/54/292016654.db2.gz YDUNCDUNPUDFKA-VIFPVBQESA-N -1 0 332.337 2.752 50 0 EFAARM C[C@@H](CN(C)c1nnc(Cc2ccc(Cl)cc2)s1)C(=O)[O-] ZINC000263564515 141406014 /nfs/dbraw/zinc/40/60/14/141406014.db2.gz UZLPJLFPQXIYQG-VIFPVBQESA-N -1 0 325.821 2.939 50 0 EFAARM COc1ccc(C(=O)[O-])nc1-c1ccc([C@@H](C)N2CCOCC2)cc1 ZINC000223822860 286290435 /nfs/dbraw/zinc/29/04/35/286290435.db2.gz HGQRTSNHUJZYLC-CYBMUJFWSA-N -1 0 342.395 2.849 50 0 EFAARM CCOc1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@@H]([C@@H]1C(=O)[O-])C21CC1 ZINC000000225038 286579059 /nfs/dbraw/zinc/57/90/59/286579059.db2.gz IYYKIRSUZICUEO-KOZAUXTDSA-N -1 0 327.380 2.937 50 0 EFAARM CCn1c(=O)c(C(=O)Nc2ncc(C)s2)c([O-])c2ccccc21 ZINC000100537027 544560923 /nfs/dbraw/zinc/56/09/23/544560923.db2.gz HVUAPZYJSNPOSA-UHFFFAOYSA-N -1 0 329.381 2.744 50 0 EFAARM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(F)cc1 ZINC000000309585 262517310 /nfs/dbraw/zinc/51/73/10/262517310.db2.gz AHTVYADCIJJWIN-UHFFFAOYSA-N -1 0 332.356 2.959 50 0 EFAARM CC(=O)Nc1ccc(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)[O-])cc1 ZINC000006725587 278200167 /nfs/dbraw/zinc/20/01/67/278200167.db2.gz NJQCPDAOZOUKIB-UQZDFYISSA-N -1 0 330.384 2.721 50 0 EFAARM CC(C)(C)OC(=O)NC1CCN(C(=O)c2ccccc2C(=O)[O-])CC1 ZINC000067801091 278425371 /nfs/dbraw/zinc/42/53/71/278425371.db2.gz FIJHZFZNBVUPNB-UHFFFAOYSA-N -1 0 348.399 2.514 50 0 EFAARM CC(C)=CC(=O)N1CCC(Oc2cc(C)ccc2F)(C(=O)[O-])CC1 ZINC000072432709 278657654 /nfs/dbraw/zinc/65/76/54/278657654.db2.gz TYAFUOGKMJKPRH-UHFFFAOYSA-N -1 0 335.375 2.925 50 0 EFAARM CC1(C)CC(=O)c2cn(-c3ccc(F)cc3)c(=O)c(C(=O)[O-])c2C1 ZINC000013362679 280898756 /nfs/dbraw/zinc/89/87/56/280898756.db2.gz JEUWYMYHEICHHN-UHFFFAOYSA-N -1 0 329.327 2.830 50 0 EFAARM C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C(=O)[O-])c2cn(C)c3ccc(C(=O)[O-])cc23)C1 ZINC000036359751 297362084 /nfs/dbraw/zinc/36/20/84/297362084.db2.gz FBJJZEALDGNRJF-BWACUDIHSA-N -1 0 344.411 2.980 50 0 EFAARM C[C@@H]1C[C@H](C)C[N@H+]([C@H](C(=O)[O-])c2cn(C)c3cc(C(=O)[O-])ccc23)C1 ZINC000036354489 297362192 /nfs/dbraw/zinc/36/21/92/297362192.db2.gz DDCQYTSHZCGLTP-JKDFXYPNSA-N -1 0 344.411 2.980 50 0 EFAARM Cc1cc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccccc2)CC(=O)N3)no1 ZINC000061717590 301034907 /nfs/dbraw/zinc/03/49/07/301034907.db2.gz DAOQUQPPCOCVPC-LBPRGKRZSA-N -1 0 337.335 2.946 50 0 EFAARM Cc1cc(C)c(S(=O)(=O)[N-]c2c(C)nc(N(C)C)nc2C)cc1C ZINC000096098609 301200108 /nfs/dbraw/zinc/20/01/08/301200108.db2.gz HWZCZXBQWTWTHH-UHFFFAOYSA-N -1 0 348.472 2.886 50 0 EFAARM Cc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])C[C@H]2C)cc1 ZINC000239425696 301628415 /nfs/dbraw/zinc/62/84/15/301628415.db2.gz VAHKKTOMJPBURV-KBAYOESNSA-N -1 0 344.455 2.923 50 0 EFAARM Cc1cccc([C@H](C(=O)[O-])N2CCN(C3CCCCC3)C(=O)C2)c1F ZINC000095508541 302028109 /nfs/dbraw/zinc/02/81/09/302028109.db2.gz MCUWUIFVIZTOIU-GOSISDBHSA-N -1 0 348.418 2.737 50 0 EFAARM Cc1nc2sc3c(c2c2nc(CCC(=O)[O-])nn21)CC[C@H](C)C3 ZINC000002350655 302686954 /nfs/dbraw/zinc/68/69/54/302686954.db2.gz DWLRPOSESQCJBY-QMMMGPOBSA-N -1 0 330.413 2.789 50 0 EFAARM Cc1ccnc([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000037384318 463442959 /nfs/dbraw/zinc/44/29/59/463442959.db2.gz WVGRYJZHSPDYMN-UHFFFAOYSA-N -1 0 327.203 2.953 50 0 EFAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)[O-] ZINC000002244129 471403438 /nfs/dbraw/zinc/40/34/38/471403438.db2.gz XDJSTMCSOXSTGZ-NSHDSACASA-N -1 0 344.205 2.970 50 0 EFAARM O=c1oc2ccccc2cc1[N-]S(=O)(=O)CCOc1ccccc1 ZINC000070637750 472499753 /nfs/dbraw/zinc/49/97/53/472499753.db2.gz QLWBYNCKSHIYSQ-UHFFFAOYSA-N -1 0 345.376 2.614 50 0 EFAARM COc1ccc(OC)c([C@@H]2CCN(c3ccc(C(=O)[O-])cn3)C2)c1 ZINC000095502844 473214474 /nfs/dbraw/zinc/21/44/74/473214474.db2.gz ILIBEQNSZHOFSU-CYBMUJFWSA-N -1 0 328.368 2.791 50 0 EFAARM CCn1nc(CC(C)C)cc1C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000095511637 473216804 /nfs/dbraw/zinc/21/68/04/473216804.db2.gz YRVOXYWZZVMBTQ-INIZCTEOSA-N -1 0 347.390 2.796 50 0 EFAARM O=C([O-])c1cccc(N2CCC([C@H](O)CCc3ccccc3)CC2)n1 ZINC000095531216 473222057 /nfs/dbraw/zinc/22/20/57/473222057.db2.gz NFEBDBQPGLPVEH-GOSISDBHSA-N -1 0 340.423 2.990 50 0 EFAARM COc1cc(C)cc([C@H](C(=O)[O-])N(C)Cc2ccncc2C)c1OC ZINC000095529987 473222584 /nfs/dbraw/zinc/22/25/84/473222584.db2.gz DDKDFFXJQIIHTP-QGZVFWFLSA-N -1 0 344.411 2.973 50 0 EFAARM COC(=O)c1cccc([N-]S(=O)(=O)c2c(F)cccc2F)c1F ZINC000095912911 473225198 /nfs/dbraw/zinc/22/51/98/473225198.db2.gz COSCWKICERLCEK-UHFFFAOYSA-N -1 0 345.298 2.691 50 0 EFAARM Cc1ccc(S(=O)(=O)[N-]c2c(C)nc(N3CCCC3)nc2C)cc1 ZINC000096098617 473294817 /nfs/dbraw/zinc/29/48/17/473294817.db2.gz LPUGOJBKFTVAPQ-UHFFFAOYSA-N -1 0 346.456 2.803 50 0 EFAARM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cnn([C@H]2CCOC2)c1 ZINC000096123267 473307640 /nfs/dbraw/zinc/30/76/40/473307640.db2.gz SEMIGGUNRXSKKM-LBPRGKRZSA-N -1 0 341.820 2.607 50 0 EFAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cnn([C@H]3CCOC3)c2)c1C ZINC000096123295 473308225 /nfs/dbraw/zinc/30/82/25/473308225.db2.gz YIFKOEPLPPOXDF-INIZCTEOSA-N -1 0 349.456 2.879 50 0 EFAARM COC(=O)C[C@H](CC(C)C)c1c([O-])nc2ccc(Cl)cn2c1=O ZINC000096231986 473361292 /nfs/dbraw/zinc/36/12/92/473361292.db2.gz JUBWLZBWYQBKDG-JTQLQIEISA-N -1 0 338.791 2.746 50 0 EFAARM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1 ZINC000000041965 471318467 /nfs/dbraw/zinc/31/84/67/471318467.db2.gz WFMVFVDPCRTOJS-UHFFFAOYSA-N -1 0 336.369 2.674 50 0 EFAARM COc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000000037947 471318679 /nfs/dbraw/zinc/31/86/79/471318679.db2.gz IUJUDKHYWKXAIY-QGZVFWFLSA-N -1 0 338.363 2.602 50 0 biogenic,in-vitro EFAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cn2)cc1 ZINC000000036075 471319074 /nfs/dbraw/zinc/31/90/74/471319074.db2.gz UMFVGVQNRKEYEY-UHFFFAOYSA-N -1 0 327.203 2.953 50 0 EFAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(-n3cccc3)cc2)n1 ZINC000000080766 471320402 /nfs/dbraw/zinc/32/04/02/471320402.db2.gz MECPRKCBPHMOQU-UHFFFAOYSA-N -1 0 328.397 2.685 50 0 EFAARM O=C([O-])[C@@H]1CC=C(Cl)C[C@H]1C(=O)NC[C@H]1OCCc2ccccc21 ZINC000000082612 471320562 /nfs/dbraw/zinc/32/05/62/471320562.db2.gz ZIPVWQKDALFCRB-BZUAXINKSA-N -1 0 349.814 2.650 50 0 EFAARM Cc1csc(-c2coc3cc(OCC(=O)[O-])cc(C)c3c2=O)n1 ZINC000000095653 471321566 /nfs/dbraw/zinc/32/15/66/471321566.db2.gz ZEIRIYJTRSQIFR-UHFFFAOYSA-N -1 0 331.349 2.997 50 0 EFAARM Cc1[nH]c2ccccc2c1CCNC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000000094646 471321763 /nfs/dbraw/zinc/32/17/63/471321763.db2.gz BWNVJRYTHVWIGP-JKSUJKDBSA-N -1 0 326.396 2.802 50 0 EFAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(OCC(=O)[O-])cc2)c(C)c1 ZINC000000099825 471322935 /nfs/dbraw/zinc/32/29/35/471322935.db2.gz LBGBGSUDHPMNAM-UHFFFAOYSA-N -1 0 349.408 2.876 50 0 EFAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccccc2)cc1OC ZINC000000109764 471323968 /nfs/dbraw/zinc/32/39/68/471323968.db2.gz HCTNXSGHAWINLD-OAHLLOKOSA-N -1 0 343.379 2.579 50 0 EFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(C)c2)cc1OC ZINC000000109781 471324266 /nfs/dbraw/zinc/32/42/66/471324266.db2.gz BADYCCOWMQBYKC-HNNXBMFYSA-N -1 0 343.379 2.958 50 0 EFAARM COc1ccc2nc([N-]c3ncc4c(n3)CCCC4=O)nc(C)c2c1 ZINC000000105995 471324602 /nfs/dbraw/zinc/32/46/02/471324602.db2.gz AMJGUTLXCQTWKW-UHFFFAOYSA-N -1 0 335.367 2.999 50 0 EFAARM COc1ccc([C@H]2[C@H](C(=O)[O-])CC(=O)N2Cc2ccccc2)cc1 ZINC000000142568 471328065 /nfs/dbraw/zinc/32/80/65/471328065.db2.gz REHJMAGOXBJGDO-AEFFLSMTSA-N -1 0 325.364 2.870 50 0 EFAARM COc1nc([N-]S(=O)(=O)c2ccc(C)cc2)nc(C)c1Cl ZINC000000182376 471331130 /nfs/dbraw/zinc/33/11/30/471331130.db2.gz YTABULWPBQYVTR-UHFFFAOYSA-N -1 0 327.793 2.556 50 0 EFAARM Cn1cnc(-c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000000172598 471330687 /nfs/dbraw/zinc/33/06/87/471330687.db2.gz MBZNEAGGGLPFFT-UHFFFAOYSA-N -1 0 348.815 2.936 50 0 EFAARM CCOc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000000189705 471332983 /nfs/dbraw/zinc/33/29/83/471332983.db2.gz LJTGJTSUSCETCP-MRXNPFEDSA-N -1 0 349.408 2.580 50 0 EFAARM CC[C@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(N)=O)C1 ZINC000000205159 471334593 /nfs/dbraw/zinc/33/45/93/471334593.db2.gz YPYUXYGSMYLXGI-VIFPVBQESA-N -1 0 338.429 2.555 50 0 EFAARM COc1ccc(CCNC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1 ZINC000000215224 471337080 /nfs/dbraw/zinc/33/70/80/471337080.db2.gz TUGPZDBEAUFURS-IAGOWNOFSA-N -1 0 331.412 2.801 50 0 EFAARM COc1c2ccoc2c(OC)c2c1C([O-])=C[C@@](O)(C(F)(F)F)O2 ZINC000000236293 471339344 /nfs/dbraw/zinc/33/93/44/471339344.db2.gz AFRKOYFFPJYBHL-ZDUSSCGKSA-N -1 0 332.230 2.666 50 0 biogenic EFAARM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)cc1OC ZINC000000249305 471340161 /nfs/dbraw/zinc/34/01/61/471340161.db2.gz SYEKELJZBTXBQS-UHFFFAOYSA-N -1 0 328.777 2.553 50 0 EFAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000000249208 471340302 /nfs/dbraw/zinc/34/03/02/471340302.db2.gz BOGGGRAGVGRUBB-UHFFFAOYSA-N -1 0 337.397 2.822 50 0 EFAARM O=C([O-])[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000000243564 471340606 /nfs/dbraw/zinc/34/06/06/471340606.db2.gz WGAHLUJFRZDFHK-NWDGAFQWSA-N -1 0 331.290 2.914 50 0 EFAARM Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000000278454 471342922 /nfs/dbraw/zinc/34/29/22/471342922.db2.gz WOPSXEFXWDHPLJ-HNNXBMFYSA-N -1 0 337.372 2.628 50 0 EFAARM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1 ZINC000000270138 471343054 /nfs/dbraw/zinc/34/30/54/471343054.db2.gz 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COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000000571006 471371683 /nfs/dbraw/zinc/37/16/83/471371683.db2.gz IWPHMFUMDBPESV-UHFFFAOYSA-N -1 0 342.376 2.822 50 0 EFAARM Cc1ccc(-n2c(=O)c(C(=O)[O-])cc3c2CC(C)(C)CC3=O)cc1 ZINC000000794891 471376212 /nfs/dbraw/zinc/37/62/12/471376212.db2.gz GABNFGMDBLIYKU-UHFFFAOYSA-N -1 0 325.364 2.999 50 0 EFAARM CN1c2ccc(S(=O)(=O)[N-]c3ccccn3)c3cccc(c23)C1=O ZINC000000816438 471377481 /nfs/dbraw/zinc/37/74/81/471377481.db2.gz APPXCMLRVQQRNG-UHFFFAOYSA-N -1 0 339.376 2.626 50 0 EFAARM O=C([O-])CN1C(=O)S/C(=C\c2ccccc2Br)C1=O ZINC000000966700 471377927 /nfs/dbraw/zinc/37/79/27/471377927.db2.gz CZETZIWZPIOKOY-UITAMQMPSA-N -1 0 342.170 2.570 50 0 EFAARM C[C@H](NC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3)c1ccccc1 ZINC000001321788 471384876 /nfs/dbraw/zinc/38/48/76/471384876.db2.gz XBKQBMOXCRKMDU-LBPRGKRZSA-N -1 0 334.375 2.754 50 0 EFAARM Cc1cc(C)c(NC(=O)CSc2nnc(C)c(=O)[n-]2)c(Cl)c1 ZINC000001281504 471385166 /nfs/dbraw/zinc/38/51/66/471385166.db2.gz 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471411899 /nfs/dbraw/zinc/41/18/99/471411899.db2.gz FQBFMANNSTYZMD-UHFFFAOYSA-N -1 0 327.333 2.758 50 0 EFAARM O=C([O-])C1CCN(C(=O)CSc2nc3ccccc3s2)CC1 ZINC000002629473 471413836 /nfs/dbraw/zinc/41/38/36/471413836.db2.gz HTOHCEYICWDAED-UHFFFAOYSA-N -1 0 336.438 2.712 50 0 EFAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002746706 471419119 /nfs/dbraw/zinc/41/91/19/471419119.db2.gz FOOQUYYIEOARTM-HOTGVXAUSA-N -1 0 348.830 2.656 50 0 EFAARM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000002752196 471419237 /nfs/dbraw/zinc/41/92/37/471419237.db2.gz VWKKPXAANGEFFM-UHFFFAOYSA-N -1 0 327.387 2.512 50 0 EFAARM CCOC(=O)c1sc(NC(=O)/C=C/C(=O)[O-])nc1-c1ccccc1 ZINC000002755114 471419261 /nfs/dbraw/zinc/41/92/61/471419261.db2.gz XHHSUFVOUCWZHX-CMDGGOBGSA-N -1 0 346.364 2.566 50 0 EFAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002746705 471419287 /nfs/dbraw/zinc/41/92/87/471419287.db2.gz FOOQUYYIEOARTM-HZPDHXFCSA-N -1 0 348.830 2.656 50 0 EFAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Br)cc1F ZINC000002788849 471421687 /nfs/dbraw/zinc/42/16/87/471421687.db2.gz SUCVSJONFODZPP-UHFFFAOYSA-N -1 0 349.181 2.994 50 0 EFAARM Cc1cc(C(F)(F)F)nn1CCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000002809246 471423254 /nfs/dbraw/zinc/42/32/54/471423254.db2.gz ONACYXANLICCQA-UHFFFAOYSA-N -1 0 341.289 2.937 50 0 EFAARM CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1C ZINC000002890205 471427529 /nfs/dbraw/zinc/42/75/29/471427529.db2.gz ZWSOCKXQUQHTFL-UHFFFAOYSA-N -1 0 335.381 2.893 50 0 EFAARM Cc1ccc(C(=O)Nc2ccccc2C(=O)NCCCC(=O)[O-])cc1 ZINC000003164164 471435493 /nfs/dbraw/zinc/43/54/93/471435493.db2.gz NUHBODGUXGMVHS-UHFFFAOYSA-N -1 0 340.379 2.842 50 0 EFAARM COc1ccc(Nc2nnc(Cc3ccc(F)cc3)c(=O)[n-]2)cc1 ZINC000005154414 471488110 /nfs/dbraw/zinc/48/81/10/471488110.db2.gz VVMGGRMFJVECBN-UHFFFAOYSA-N -1 0 326.331 2.647 50 0 EFAARM COc1cc(-c2cc(=O)c3c(O)cc([O-])cc3o2)cc(OC)c1OC ZINC000005732688 471519104 /nfs/dbraw/zinc/51/91/04/471519104.db2.gz CPCPHNWWTJLXKQ-UHFFFAOYSA-N 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ZINC000006742433 471564005 /nfs/dbraw/zinc/56/40/05/471564005.db2.gz ZYTSDKBXFBEUHB-ZJUUUORDSA-N -1 0 325.386 2.754 50 0 EFAARM COc1ccc(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])cc1OC ZINC000006742247 471564093 /nfs/dbraw/zinc/56/40/93/471564093.db2.gz IGPCJVJBACPIDN-DETCHVMESA-N -1 0 333.384 2.779 50 0 EFAARM CCOC(=O)c1ccsc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000006742434 471564483 /nfs/dbraw/zinc/56/44/83/471564483.db2.gz ZYTSDKBXFBEUHB-UWVGGRQHSA-N -1 0 325.386 2.754 50 0 EFAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(C)=O)cc1OC ZINC000006905970 471577136 /nfs/dbraw/zinc/57/71/36/471577136.db2.gz IDEGRGBZSKVKAN-UHFFFAOYSA-N -1 0 335.381 2.707 50 0 EFAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(Br)c1 ZINC000007052630 471587833 /nfs/dbraw/zinc/58/78/33/471587833.db2.gz KWCMLIROFLWYJX-UHFFFAOYSA-N -1 0 331.191 2.855 50 0 EFAARM CC(C)(C)OC(=O)N[C@@H](c1cccc(C(F)(F)F)c1)[C@H](O)C(=O)[O-] ZINC000008700605 471698466 /nfs/dbraw/zinc/69/84/66/471698466.db2.gz YKKXYVBUZMXIKV-QWRGUYRKSA-N -1 0 349.305 2.717 50 0 EFAARM COc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c(C)cc1C ZINC000008714926 471700397 /nfs/dbraw/zinc/70/03/97/471700397.db2.gz CWPPSSKXBSMHIR-UHFFFAOYSA-N -1 0 335.381 2.811 50 0 EFAARM COC(=O)[C@]1(C)C[C@@H](C(=O)[O-])[C@@H](c2ccccc2C(F)(F)F)N1C ZINC000012336731 471772542 /nfs/dbraw/zinc/77/25/42/471772542.db2.gz LUVKCSBCHJGBRC-HCKVZZMMSA-N -1 0 345.317 2.715 50 0 EFAARM COC(=O)[C@]1(C)C[C@H](C(=O)[O-])[C@@H](c2ccccc2C(F)(F)F)N1C ZINC000012336733 471772586 /nfs/dbraw/zinc/77/25/86/471772586.db2.gz LUVKCSBCHJGBRC-NVBFEUDRSA-N -1 0 345.317 2.715 50 0 EFAARM Cc1ccc(N2C[C@H](C(=O)Nc3cccc(C(=O)[O-])c3)CC2=O)cc1 ZINC000013259439 471823361 /nfs/dbraw/zinc/82/33/61/471823361.db2.gz OUEZEYORXDRMEE-CQSZACIVSA-N -1 0 338.363 2.685 50 0 EFAARM Cc1nnc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)[n-]c1=O ZINC000013465104 471831047 /nfs/dbraw/zinc/83/10/47/471831047.db2.gz SQMJJNQEOZZWIS-UHFFFAOYSA-N -1 0 332.429 2.914 50 0 EFAARM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCCc2ccccc21 ZINC000013668982 471837146 /nfs/dbraw/zinc/83/71/46/471837146.db2.gz VDZRKXHXILJXMU-UHFFFAOYSA-N -1 0 330.409 2.651 50 0 EFAARM Cc1nnc(SCc2cc(=O)n(-c3nc4ccccc4[nH]3)[n-]2)s1 ZINC000014607917 471875416 /nfs/dbraw/zinc/87/54/16/471875416.db2.gz BMQFDFNYPDRWTP-UHFFFAOYSA-N -1 0 344.425 2.608 50 0 EFAARM O=C([O-])CCCC[C@H]1SC[C@H]2[C@@H]1NC(=O)N2Cc1ccccc1 ZINC000014859744 471880974 /nfs/dbraw/zinc/88/09/74/471880974.db2.gz MFFWFILLMGRYPI-LZWOXQAQSA-N -1 0 334.441 2.709 50 0 EFAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)cc1OC ZINC000016623554 471944435 /nfs/dbraw/zinc/94/44/35/471944435.db2.gz OARKTFCHMDQTBI-UHFFFAOYSA-N -1 0 349.408 2.899 50 0 EFAARM O=C1N=C(Nc2nc3ccccc3o2)N=C([O-])C1Cc1ccccc1 ZINC000017858925 471965190 /nfs/dbraw/zinc/96/51/90/471965190.db2.gz UESXWRALLWIDID-UHFFFAOYSA-N -1 0 334.335 2.951 50 0 EFAARM O=c1c2[n-][nH]n(-c3ccccc3)c=2c(=O)n1-c1cccc(Cl)c1 ZINC000023109604 472026117 /nfs/dbraw/zinc/02/61/17/472026117.db2.gz HWVJBVZORFGBDO-ZIAGYGMSSA-N -1 0 326.743 2.838 50 0 EFAARM CCCCc1ccc(NC(=O)Cn2cc(C(=O)[O-])ccc2=O)cc1 ZINC000041670326 472078221 /nfs/dbraw/zinc/07/82/21/472078221.db2.gz VHGSIJCQSWMWPL-UHFFFAOYSA-N -1 0 328.368 2.528 50 0 EFAARM C[C@H](c1ccccc1)n1c(SCC(=O)[O-])nnc1C1CCOCC1 ZINC000067739899 472081865 /nfs/dbraw/zinc/08/18/65/472081865.db2.gz SZUURKDUNPRKOU-GFCCVEGCSA-N -1 0 347.440 2.958 50 0 EFAARM COc1ccc(/C=C\C(=O)Nc2c(O)cccc2C(=O)[O-])cc1OC ZINC000027645694 472188599 /nfs/dbraw/zinc/18/85/99/472188599.db2.gz HUBVPPBIEOCMIE-CLFYSBASSA-N -1 0 343.335 2.760 50 0 EFAARM Cc1cc([C@H](O)CC[N-]S(=O)(=O)c2c(F)cccc2F)c(C)o1 ZINC000085561813 472258537 /nfs/dbraw/zinc/25/85/37/472258537.db2.gz JIFVXCRMQHDJIV-CQSZACIVSA-N -1 0 345.367 2.577 50 0 EFAARM CC(=O)c1cn(CCC(=O)N2CCC[C@@H](C(=O)[O-])C2)c2ccccc12 ZINC000044903341 472350114 /nfs/dbraw/zinc/35/01/14/472350114.db2.gz FILPPTDVTWYOLC-CQSZACIVSA-N -1 0 342.395 2.557 50 0 EFAARM O=C(CSc1nc2cc(C(=O)[O-])ccc2[nH]1)NCc1ccccc1 ZINC000076565720 472368262 /nfs/dbraw/zinc/36/82/62/472368262.db2.gz ZFBDWLHSHOBTNA-UHFFFAOYSA-N -1 0 341.392 2.670 50 0 EFAARM O=C([O-])c1nnn(Cc2ccc(F)cc2Cl)c1-c1ccncc1 ZINC000070457021 472498797 /nfs/dbraw/zinc/49/87/97/472498797.db2.gz QCUOVUUPTDWWFO-UHFFFAOYSA-N -1 0 332.722 2.879 50 0 EFAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccn(Cc2ccc(Cl)cc2)n1 ZINC000071282502 472546232 /nfs/dbraw/zinc/54/62/32/472546232.db2.gz LTVNDDGLWBVQKK-KBPBESRZSA-N -1 0 347.802 2.880 50 0 EFAARM O=C(CCc1cc(=O)[n-]o1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000077519666 472546455 /nfs/dbraw/zinc/54/64/55/472546455.db2.gz JAJAZIRCBCFRPS-UHFFFAOYSA-N -1 0 332.375 2.933 50 0 EFAARM CC(C)c1nc(-c2ccc(NC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)cc2)n[nH]1 ZINC000071287726 472547425 /nfs/dbraw/zinc/54/74/25/472547425.db2.gz GEKXMZNQRGKABI-QWHCGFSZSA-N -1 0 342.399 2.890 50 0 EFAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(NC(=O)C2CCC2)cc1 ZINC000071288929 472547664 /nfs/dbraw/zinc/54/76/64/472547664.db2.gz QYPSCHAVOVJRCV-ZIAGYGMSSA-N -1 0 330.384 2.721 50 0 EFAARM Nc1ccnc(N2CCC[C@@](C/C=C/c3ccccc3)(C(=O)[O-])C2)n1 ZINC000071757216 472559758 /nfs/dbraw/zinc/55/97/58/472559758.db2.gz NKKGVBCYTBOLQI-RRGNZLCHSA-N -1 0 338.411 2.834 50 0 EFAARM O=C([O-])c1ccc(Cn2ccnc2-c2cccc3nonc32)s1 ZINC000071753320 472560180 /nfs/dbraw/zinc/56/01/80/472560180.db2.gz LERYODKSPCLDAV-UHFFFAOYSA-N -1 0 326.337 2.894 50 0 EFAARM O=C([O-])CN1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000071752404 472560440 /nfs/dbraw/zinc/56/04/40/472560440.db2.gz JUJARXKLNXHYOB-SFHVURJKSA-N -1 0 325.408 2.994 50 0 EFAARM O=C([O-])c1cc(CN2CCO[C@@H](CCc3ccccc3)C2)ccc1O ZINC000071760261 472561315 /nfs/dbraw/zinc/56/13/15/472561315.db2.gz GFSBZRDKMIIZEQ-KRWDZBQOSA-N -1 0 341.407 2.924 50 0 EFAARM O=C([O-])[C@@H](Cc1ccccc1)n1ccnc1-c1cccc2nonc21 ZINC000071759435 472561913 /nfs/dbraw/zinc/56/19/13/472561913.db2.gz PFXUVVYYZLNMQM-OAHLLOKOSA-N -1 0 334.335 2.955 50 0 EFAARM CCc1nnc2c(S(=O)(=O)[N-]c3ccc(CC)cc3)cccn12 ZINC000062592012 472742710 /nfs/dbraw/zinc/74/27/10/472742710.db2.gz REKCQHUCTQAYAD-UHFFFAOYSA-N -1 0 330.413 2.655 50 0 EFAARM CC(C)(C)c1ncc2c(n1)CC(C)(C)C[C@H]2NC(=O)c1cc(=O)[nH][n-]1 ZINC000091650819 472789776 /nfs/dbraw/zinc/78/97/76/472789776.db2.gz IMGRQDWMWHMSQI-GFCCVEGCSA-N -1 0 343.431 2.646 50 0 EFAARM COc1ccccc1NC(=O)Cn1[n-]c(-c2ccc(F)cc2)cc1=O ZINC000049006605 472924551 /nfs/dbraw/zinc/92/45/51/472924551.db2.gz DRLSGWWRPYLOMX-UHFFFAOYSA-N -1 0 341.342 2.630 50 0 EFAARM O=C(c1csc([N-]c2ncccn2)n1)N1CCc2ccccc2C1 ZINC000049032156 472926960 /nfs/dbraw/zinc/92/69/60/472926960.db2.gz QARFXGBFUBFPAA-UHFFFAOYSA-N -1 0 337.408 2.875 50 0 EFAARM Cc1cccc(CSc2sc3c([nH]c(=O)cc3[O-])c2C(N)=O)c1 ZINC000065365002 472927058 /nfs/dbraw/zinc/92/70/58/472927058.db2.gz VYBPLCNHZKJVCW-UHFFFAOYSA-N -1 0 346.433 2.995 50 0 EFAARM CC(C)Cc1nnc(SCC(=O)[O-])n1-c1ccc(F)cc1F ZINC000065470533 472949748 /nfs/dbraw/zinc/94/97/48/472949748.db2.gz IDXLCNBWFGZPGH-UHFFFAOYSA-N -1 0 327.356 2.921 50 0 EFAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])C[C@H](OCc2ccccc2)C1 ZINC000074937977 473100698 /nfs/dbraw/zinc/10/06/98/473100698.db2.gz VEHLPPUZBATHPY-CABCVRRESA-N -1 0 335.400 2.913 50 0 EFAARM CN(C(=O)c1cccc(-n2cccn2)c1)[C@@H](C(=O)[O-])c1cccs1 ZINC000095353167 473191338 /nfs/dbraw/zinc/19/13/38/473191338.db2.gz GJDPDDGOZUEFID-OAHLLOKOSA-N -1 0 341.392 2.832 50 0 EFAARM O=C([O-])[C@@H]1CCCN1C(=O)OCc1ccc(Br)cc1 ZINC000213653139 474135738 /nfs/dbraw/zinc/13/57/38/474135738.db2.gz CGOZVRYXMLVHCE-NSHDSACASA-N -1 0 328.162 2.635 50 0 EFAARM O=C([O-])c1ccc(I)c(OCC(F)(F)F)c1 ZINC000236461529 474271645 /nfs/dbraw/zinc/27/16/45/474271645.db2.gz SZCCGFBWLBEVBL-UHFFFAOYSA-N -1 0 346.042 2.931 50 0 EFAARM COC(=O)C1=C([O-])c2c(C)c(C(=O)O[C@@H]3CCC[C@H]3C)[nH]c2C[C@H]1C ZINC000239174422 474544764 /nfs/dbraw/zinc/54/47/64/474544764.db2.gz PZUFJJVCCIFCJD-MHWZDGSBSA-N -1 0 347.411 2.833 50 0 EFAARM Cc1noc(C)c1C[N@H+](C)CCC(=O)Nc1ccsc1C(=O)[O-] ZINC000252491502 474676536 /nfs/dbraw/zinc/67/65/36/474676536.db2.gz LNPUSHKJSGLNHE-UHFFFAOYSA-N -1 0 337.401 2.512 50 0 EFAARM Cc1ccc(S(=O)(=O)n2ccc3ccc(CC(=O)[O-])cc32)cc1 ZINC000257732181 474968259 /nfs/dbraw/zinc/96/82/59/474968259.db2.gz IDUARJGQTOIFEK-UHFFFAOYSA-N -1 0 329.377 2.814 50 0 EFAARM Cc1ccc(S(=O)(=O)[N-]c2cnn(C[C@H]3CCCCO3)c2)cc1C ZINC000390827399 476801148 /nfs/dbraw/zinc/80/11/48/476801148.db2.gz GWBBPWILUIUWNN-MRXNPFEDSA-N -1 0 349.456 2.870 50 0 EFAARM O=C([O-])c1cccc2c1OC[C@H](NC(=O)OCc1ccccc1)C2 ZINC000536952741 478280084 /nfs/dbraw/zinc/28/00/84/478280084.db2.gz FMHRBLKBWXQMRD-CQSZACIVSA-N -1 0 327.336 2.615 50 0 EFAARM O=C([O-])c1csc(C2CCN(C(=O)C[C@H]3CCCCO3)CC2)n1 ZINC000585134534 479294951 /nfs/dbraw/zinc/29/49/51/479294951.db2.gz YJKYQPGTCPKLOL-GFCCVEGCSA-N -1 0 338.429 2.507 50 0 EFAARM O=C([O-])[C@@H](Cc1cccc2ccccc21)NC(=O)C[C@H]1CCCO1 ZINC000585134348 479295099 /nfs/dbraw/zinc/29/50/99/479295099.db2.gz OWRWFSDNHJOZMB-NVXWUHKLSA-N -1 0 327.380 2.521 50 0 EFAARM O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@@H]2CCOc3ccccc32)c2ccccc21 ZINC000653330402 481232029 /nfs/dbraw/zinc/23/20/29/481232029.db2.gz FBWCEQWLXIRPBY-BRWVUGGUSA-N -1 0 337.375 2.982 50 0 EFAARM C[C@H](CCc1ccccc1)Nc1ccc2nnc(CCC(=O)[O-])n2n1 ZINC000032094340 518182004 /nfs/dbraw/zinc/18/20/04/518182004.db2.gz QZHZCBQFOWZUNM-CYBMUJFWSA-N -1 0 339.399 2.575 50 0 EFAARM CC(=O)N[C@H](Cc1ccc(OCc2ccccc2)c(C)c1)C(=O)[O-] ZINC000255190780 534645477 /nfs/dbraw/zinc/64/54/77/534645477.db2.gz ZJGKPCPELKXBBY-QGZVFWFLSA-N -1 0 327.380 2.706 50 0 EFAARM COC(=O)C[C@@H](c1ccc(O)cc1)c1c([O-])c2ccccc2oc1=O ZINC000217839951 536313285 /nfs/dbraw/zinc/31/32/85/536313285.db2.gz TWNGQKHZGXWFAG-AWEZNQCLSA-N -1 0 340.331 2.899 50 0 biogenic EFAARM COc1ccc2c(ccn2CC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC000238900850 537029016 /nfs/dbraw/zinc/02/90/16/537029016.db2.gz KKMNUPJYBXKZQS-HDJSIYSDSA-N -1 0 344.411 2.657 50 0 EFAARM Cc1cc2ccccc2n1CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000206412284 545556589 /nfs/dbraw/zinc/55/65/89/545556589.db2.gz PKLXQSTXIFIWCL-QGZVFWFLSA-N -1 0 336.391 2.762 50 0 EFAARM COc1ccc(CN(C)Cc2nc(CC(C)C)no2)cc1C(=O)[O-] ZINC000670460724 547494041 /nfs/dbraw/zinc/49/40/41/547494041.db2.gz OHMAVABSKOQQLE-UHFFFAOYSA-N -1 0 333.388 2.607 50 0 EFAARM C[C@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1ccc(O)cc1)c3[O-] ZINC000199908717 564124825 /nfs/dbraw/zinc/12/48/25/564124825.db2.gz KZNMMUBHOBMZMQ-JTQLQIEISA-N -1 0 336.347 2.782 50 0 EFAARM O=C([O-])[C@@]12CN(c3nc4ccc(Cl)cc4s3)C[C@@H]1COCC2 ZINC001772708241 1249294797 /nfs/dbraw/zinc/29/47/97/1249294797.db2.gz ALNDNWGOOVYZKG-PSLIRLAXSA-N -1 0 338.816 2.877 50 0 EFAARM COc1cccc(CN(Cc2cnc(C(=O)[O-])cn2)C(C)C)c1OC ZINC001772709747 1249297719 /nfs/dbraw/zinc/29/77/19/1249297719.db2.gz MVFUEZSHYCPQGO-UHFFFAOYSA-N -1 0 345.399 2.603 50 0 EFAARM CCc1nccn1CCCNC(=O)c1cc(=O)c2cccc(F)c2[n-]1 ZINC000823557302 1265388465 /nfs/dbraw/zinc/38/84/65/1265388465.db2.gz LEIOVDBIDWPQOX-UHFFFAOYSA-N -1 0 342.374 2.659 50 0 EFAARM CCc1nc(-c2cnc(C3CC3)nc2)n(-c2ccc(C(=O)[O-])cc2)n1 ZINC000823562710 1265392256 /nfs/dbraw/zinc/39/22/56/1265392256.db2.gz CSXZKFQCLXKRFC-UHFFFAOYSA-N -1 0 335.367 2.862 50 0 EFAARM CC(C)C(=O)Nc1cccc(C(=O)N2CCC[C@](C)(C(=O)[O-])C2)c1 ZINC000952973086 1284945423 /nfs/dbraw/zinc/94/54/23/1284945423.db2.gz XOSKILGHUORNCK-SFHVURJKSA-N -1 0 332.400 2.608 50 0 EFAARM Cc1c(C(=O)NCC(=O)[O-])c(-c2ccccc2)nn1-c1ccccc1 ZINC000000186169 1301764061 /nfs/dbraw/zinc/76/40/61/1301764061.db2.gz QLEPGEGJDAPFNX-UHFFFAOYSA-N -1 0 335.363 2.662 50 0 EFAARM Cc1oc(-c2cccc(F)c2)nc1CN1CCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000019340503 1314425248 /nfs/dbraw/zinc/42/52/48/1314425248.db2.gz WKWOMMQEUXVXTN-CQSZACIVSA-N -1 0 343.362 2.950 50 0 EFAARM COc1cc(C(=O)[O-])cc(C(=O)N2CC(Oc3ccc(C)cc3)C2)c1 ZINC001506405133 1405753245 /nfs/dbraw/zinc/75/32/45/1405753245.db2.gz LDFOTDATSZHOGV-UHFFFAOYSA-N -1 0 341.363 2.605 50 0 EFAARM CCc1nc(CN(C)[C@@H](C(=O)[O-])c2cc(Cl)ccc2OC)no1 ZINC001506410409 1405756320 /nfs/dbraw/zinc/75/63/20/1405756320.db2.gz TYDCKWDWYFBCRD-CQSZACIVSA-N -1 0 339.779 2.552 50 0 EFAARM CC[C@H](C)N(Cc1ccncc1)S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001506413904 1405758001 /nfs/dbraw/zinc/75/80/01/1405758001.db2.gz AGTGAGYUAHZYMK-ZDUSSCGKSA-N -1 0 348.424 2.769 50 0 EFAARM Cc1ccc(C[N@@H+]2C[C@@]3(C(=O)[O-])C[C@@]3(C(=O)[O-])C2)c2ccccc12 ZINC001704325730 1417906966 /nfs/dbraw/zinc/90/69/66/1417906966.db2.gz MFFBNLGHAJADOI-KDURUIRLSA-N -1 0 325.364 2.510 50 0 EFAARM Cc1occc1-c1nnc(SCc2nnn[n-]2)n1-c1ccccc1 ZINC000006709527 1423377486 /nfs/dbraw/zinc/37/74/86/1423377486.db2.gz UKBPQTNKTBKARD-UHFFFAOYSA-N -1 0 339.384 2.641 50 0 EFAARM CC(C)(Cc1ccc(F)cc1)NC(=O)c1ccccc1-c1nn[n-]n1 ZINC000097521933 1424161322 /nfs/dbraw/zinc/16/13/22/1424161322.db2.gz BAZLKVOIPJZJHY-UHFFFAOYSA-N -1 0 339.374 2.757 50 0 EFAARM CC(C)CN(Cc1ccccn1)C(=O)c1ccccc1-c1nn[n-]n1 ZINC000097775861 1424452405 /nfs/dbraw/zinc/45/24/05/1424452405.db2.gz NLTJWKLDTKUBOU-UHFFFAOYSA-N -1 0 336.399 2.560 50 0 EFAARM O=C(c1ccccc1-c1nn[n-]n1)N1CC=C(c2ccccc2)CC1 ZINC000097294767 1424802629 /nfs/dbraw/zinc/80/26/29/1424802629.db2.gz MACPUPDNOHPZLY-UHFFFAOYSA-N -1 0 331.379 2.796 50 0 EFAARM CCc1c(C)[n-]n(-c2ccc(I)cc2)c1=O ZINC000006519502 1098100646 /nfs/dbraw/zinc/10/06/46/1098100646.db2.gz BXEWLKXINAFWSB-UHFFFAOYSA-N -1 0 328.153 2.641 50 0 EFAARM C=CCn1c(=O)c(C(=O)Nc2cccc(O)c2)c([O-])c2ccccc21 ZINC000005685803 1097870821 /nfs/dbraw/zinc/87/08/21/1097870821.db2.gz MNFLSBAZBSJKJT-UHFFFAOYSA-N -1 0 336.347 2.851 50 0 EFAARM Cc1ccc(CNC(=O)CSc2nc(=O)c3sccc3[n-]2)cc1 ZINC000051317244 214087580 /nfs/dbraw/zinc/08/75/80/214087580.db2.gz UYOLKJHMJGYCHJ-UHFFFAOYSA-N -1 0 345.449 2.702 50 0 EFAARM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000097675443 219046672 /nfs/dbraw/zinc/04/66/72/219046672.db2.gz XMUZJFQTGWCVAO-JKSUJKDBSA-N -1 0 331.412 2.695 50 0 EFAARM CCc1nc(CN(C)[C@@H](C(=O)[O-])c2ccc(OC(C)C)cc2)no1 ZINC000055131172 214277534 /nfs/dbraw/zinc/27/75/34/214277534.db2.gz FNUJERJURIOKRZ-MRXNPFEDSA-N -1 0 333.388 2.677 50 0 EFAARM Cc1ccc(CN2C(=O)N/C(=C/c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000004689490 210249350 /nfs/dbraw/zinc/24/93/50/210249350.db2.gz AOMFKWVEOYFBPP-MHWRWJLKSA-N -1 0 336.347 2.786 50 0 EFAARM CCC(CC)n1c2ncc(C(=O)[O-])cc2n(Cc2ccncc2)c1=O ZINC000055228059 214292273 /nfs/dbraw/zinc/29/22/73/214292273.db2.gz LJJXTHFKKRPDCZ-UHFFFAOYSA-N -1 0 340.383 2.701 50 0 EFAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)c1c(F)ccc(C)c1Cl ZINC000055392990 214317030 /nfs/dbraw/zinc/31/70/30/214317030.db2.gz AZHZDJOYLUOZOY-UHFFFAOYSA-N -1 0 339.754 2.938 50 0 EFAARM Cn1cnnc1Sc1ccc(-c2nc3cc(C(=O)[O-])ccc3[nH]2)o1 ZINC000055414320 214322673 /nfs/dbraw/zinc/32/26/73/214322673.db2.gz XEBHKFCLHPUOIZ-UHFFFAOYSA-N -1 0 341.352 2.801 50 0 EFAARM COc1cc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c(OC)cc1C ZINC000004626103 210235881 /nfs/dbraw/zinc/23/58/81/210235881.db2.gz NEXGNDCBHWHOGU-UHFFFAOYSA-N -1 0 347.396 2.689 50 0 EFAARM O=S(=O)([O-])c1nc2ccccc2n1CCOc1ccccc1F ZINC000004622843 210233737 /nfs/dbraw/zinc/23/37/37/210233737.db2.gz HVMZGWDRTMOSTB-UHFFFAOYSA-N -1 0 336.344 2.501 50 0 EFAARM CC[C@H]1CN(CCc2ccc(OC)c(OC)c2)C(=O)C[C@H]1CC(=O)[O-] ZINC000004565760 210222000 /nfs/dbraw/zinc/22/20/00/210222000.db2.gz AJGVAXFKPKXRHA-GJZGRUSLSA-N -1 0 349.427 2.596 50 0 EFAARM O=C([O-])[C@H]1CS[C@@H](c2ccc(OC(=O)c3cccs3)cc2)N1 ZINC000004556456 210220780 /nfs/dbraw/zinc/22/07/80/210220780.db2.gz OUVLIBMSGYYMKR-YPMHNXCESA-N -1 0 335.406 2.756 50 0 EFAARM O=C([O-])COc1ccc(NC(=O)c2ccc(Br)o2)cc1 ZINC000004520002 210212326 /nfs/dbraw/zinc/21/23/26/210212326.db2.gz LZKKKVPMHROPGE-UHFFFAOYSA-N -1 0 340.129 2.758 50 0 EFAARM Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nsc1C(=O)[O-] ZINC000004502057 210206173 /nfs/dbraw/zinc/20/61/73/210206173.db2.gz ZCFCRMCNEJRPSP-UHFFFAOYSA-N -1 0 331.275 2.695 50 0 EFAARM Cc1nc2[n-]c(Cc3ccccc3)nn2c(=O)c1Cc1ccccc1 ZINC000100309519 219097059 /nfs/dbraw/zinc/09/70/59/219097059.db2.gz GOFZMZXEUFQNNF-UHFFFAOYSA-N -1 0 330.391 2.908 50 0 EFAARM COC(=O)C1=C([O-])c2c(C)c(C(=O)OC3CCCCC3)[nH]c2C[C@@H]1C ZINC000004488719 210201688 /nfs/dbraw/zinc/20/16/88/210201688.db2.gz SOUPFDNQACDAQX-IINYFYTJSA-N -1 0 347.411 2.977 50 0 EFAARM CCOc1ccc(NC(=O)c2c([O-])c3ccccc3n(C)c2=O)cc1 ZINC000100536958 219101137 /nfs/dbraw/zinc/10/11/37/219101137.db2.gz GYJQFQLEPIZGCK-UHFFFAOYSA-N -1 0 338.363 2.895 50 0 EFAARM COc1ccc(-c2nc3nc(C)c(Cc4ccccc4)c(=O)n3[n-]2)cc1 ZINC000100573448 219102179 /nfs/dbraw/zinc/10/21/79/219102179.db2.gz ZVROFUDENGUKHP-UHFFFAOYSA-N -1 0 346.390 2.992 50 0 EFAARM O=C(NCCCc1ccccc1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621247 219102900 /nfs/dbraw/zinc/10/29/00/219102900.db2.gz XMLCIFCWWZKFIX-UHFFFAOYSA-N -1 0 348.402 2.626 50 0 biogenic EFAARM Cc1cccc(C)c1NC(=O)C([O-])=C1Sc2ccccc2NC1=O ZINC000100721389 219105174 /nfs/dbraw/zinc/10/51/74/219105174.db2.gz PFVCVQSCIDYUAH-MRXNPFEDSA-N -1 0 340.404 2.924 50 0 EFAARM O=c1cc(-c2ccccc2)[n-]n1-c1nc(-c2ccccc2)cc(=O)[nH]1 ZINC000100916365 219111107 /nfs/dbraw/zinc/11/11/07/219111107.db2.gz BAHTWINWFXNTQL-UHFFFAOYSA-N -1 0 330.347 2.583 50 0 EFAARM Cc1cccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1 ZINC000101167196 219117736 /nfs/dbraw/zinc/11/77/36/219117736.db2.gz KJHGNUMMYZWLOV-JKSUJKDBSA-N -1 0 338.342 2.628 50 0 EFAARM O=c1c2[n-][nH]n(Cc3ccccc3)c=2c(=O)n1-c1ccc(Cl)cc1 ZINC000101167116 219118103 /nfs/dbraw/zinc/11/81/03/219118103.db2.gz GBGSFOLWOKWITG-LSDHHAIUSA-N -1 0 340.770 2.833 50 0 EFAARM O=c1c2[n-][nH]n(Cc3ccccc3)c=2c(=O)n1-c1ccccc1Cl ZINC000101168641 219118178 /nfs/dbraw/zinc/11/81/78/219118178.db2.gz RNZUMHZAKWZDKT-GJZGRUSLSA-N -1 0 340.770 2.833 50 0 EFAARM O=c1c2[n-][nH]n(Cc3ccccc3Cl)c=2c(=O)n1-c1ccccc1 ZINC000101167599 219118180 /nfs/dbraw/zinc/11/81/80/219118180.db2.gz NFVPDEMHSSLIQV-CABCVRRESA-N -1 0 340.770 2.833 50 0 EFAARM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1C ZINC000101260627 219119667 /nfs/dbraw/zinc/11/96/67/219119667.db2.gz NUBFZPIQFUMWNY-CVEARBPZSA-N -1 0 338.342 2.940 50 0 EFAARM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)cc1F ZINC000101277768 219121622 /nfs/dbraw/zinc/12/16/22/219121622.db2.gz VYJKAUFOWDUUSY-GJZGRUSLSA-N -1 0 342.305 2.771 50 0 EFAARM O=C([O-])C1=Nc2ncnn2[C@@H](c2ccccc2OCc2ccccc2)C1 ZINC000101347866 219123363 /nfs/dbraw/zinc/12/33/63/219123363.db2.gz RGENLUVWLKQDSH-MRXNPFEDSA-N -1 0 348.362 2.841 50 0 EFAARM O=c1c2[n-][nH]n(Cc3cccc(Cl)c3)c=2c(=O)n1-c1ccccc1 ZINC000101417214 219126491 /nfs/dbraw/zinc/12/64/91/219126491.db2.gz PTSFIWKTNVDUKK-LSDHHAIUSA-N -1 0 340.770 2.833 50 0 EFAARM CCOC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCC2 ZINC000004294623 210162213 /nfs/dbraw/zinc/16/22/13/210162213.db2.gz NFCKGJWRKAJUIC-UHFFFAOYSA-N -1 0 325.386 2.607 50 0 EFAARM CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])c2ccccc2F)CC1 ZINC000004241738 210150163 /nfs/dbraw/zinc/15/01/63/210150163.db2.gz ZSGKIKRNLJANGA-AWEZNQCLSA-N -1 0 338.379 2.504 50 0 EFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc3snnc3c2)cc1 ZINC000004108227 210122749 /nfs/dbraw/zinc/12/27/49/210122749.db2.gz PLVRRIQMWRUAQC-UHFFFAOYSA-N -1 0 348.409 2.510 50 0 EFAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCc1c[nH]c2ccccc12 ZINC000004086861 210116834 /nfs/dbraw/zinc/11/68/34/210116834.db2.gz JSEXYPLCXFDIHM-SFHVURJKSA-N -1 0 336.391 2.913 50 0 biogenic EFAARM COc1ccc2c(cc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)n2C)c1 ZINC000004000428 210098569 /nfs/dbraw/zinc/09/85/69/210098569.db2.gz APRQGWNHKABZEG-QGZVFWFLSA-N -1 0 338.363 2.743 50 0 biogenic EFAARM CSc1ncc2c([O-])c(C(=O)Nc3ccc(F)cc3)sc2n1 ZINC000102053778 219182785 /nfs/dbraw/zinc/18/27/85/219182785.db2.gz OYUXQVFNEYTRHM-LLVKDONJSA-N -1 0 335.385 2.633 50 0 EFAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O ZINC000003884748 210083201 /nfs/dbraw/zinc/08/32/01/210083201.db2.gz VROYVGONLXWDPE-UHFFFAOYSA-N -1 0 327.745 2.545 50 0 EFAARM COc1ccc(OCC(=O)NCc2ccc(Cl)cc2)c(C(=O)[O-])c1 ZINC000003863540 210080303 /nfs/dbraw/zinc/08/03/03/210080303.db2.gz UCWGAARIVGBVBY-UHFFFAOYSA-N -1 0 349.770 2.742 50 0 EFAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1)c2=O ZINC000003311555 210003592 /nfs/dbraw/zinc/00/35/92/210003592.db2.gz XXYDXJYQWAUGQW-UHFFFAOYSA-N -1 0 326.377 2.520 50 0 EFAARM CNC(=O)c1ccc(-n2c(CCC(=O)[O-])nc3c2ccc(C)c3C)o1 ZINC000067540793 215160105 /nfs/dbraw/zinc/16/01/05/215160105.db2.gz DVPZFBLAGXKVPK-UHFFFAOYSA-N -1 0 341.367 2.612 50 0 EFAARM Cc1ccc(-n2c(Cc3ccncc3)nnc2SCC(=O)[O-])cc1 ZINC000067713265 215191671 /nfs/dbraw/zinc/19/16/71/215191671.db2.gz UTEHHEDLKAFAEJ-UHFFFAOYSA-N -1 0 340.408 2.738 50 0 EFAARM O=C([O-])c1cn(C[C@@H]2CCCN(c3nc4ccccc4s3)C2)nn1 ZINC000067695321 215188380 /nfs/dbraw/zinc/18/83/80/215188380.db2.gz OCDIHYSRHFPMAZ-LLVKDONJSA-N -1 0 343.412 2.503 50 0 EFAARM CC(=O)Nc1cccc(-n2c(COCC(=O)[O-])nc3ccccc32)c1 ZINC000067789158 215213270 /nfs/dbraw/zinc/21/32/70/215213270.db2.gz NAOZNSXRPBCKLE-UHFFFAOYSA-N -1 0 339.351 2.585 50 0 EFAARM CN(Cc1cc(-c2cccs2)n[nH]1)Cc1ncccc1C(=O)[O-] ZINC000067841416 215227755 /nfs/dbraw/zinc/22/77/55/215227755.db2.gz MERCKVPXDUSEAE-UHFFFAOYSA-N -1 0 328.397 2.863 50 0 EFAARM O=C([O-])Cc1cc(C2CCN(c3noc4ccccc43)CC2)n[nH]1 ZINC000067934196 215252731 /nfs/dbraw/zinc/25/27/31/215252731.db2.gz KFSIXRAYPLJUHT-UHFFFAOYSA-N -1 0 326.356 2.562 50 0 EFAARM CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000001926288 209806789 /nfs/dbraw/zinc/80/67/89/209806789.db2.gz PGZUTADFGUARLZ-UHFFFAOYSA-N -1 0 325.773 2.863 50 0 EFAARM COc1cccc2c1ccn2CCC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000040310081 213290754 /nfs/dbraw/zinc/29/07/54/213290754.db2.gz VAOVYPHBEGSEQV-AWEZNQCLSA-N -1 0 332.400 2.656 50 0 biogenic EFAARM COc1ccc2cc([N-]S(=O)(=O)c3c(C)noc3C)cnc2c1 ZINC000040268414 213287287 /nfs/dbraw/zinc/28/72/87/213287287.db2.gz URAKWLREFBVUNO-UHFFFAOYSA-N -1 0 333.369 2.649 50 0 EFAARM COc1ccc(-c2cc3ccc(OCC(=O)[O-])cc3oc2=O)cc1 ZINC000001317627 209725946 /nfs/dbraw/zinc/72/59/46/209725946.db2.gz FBFATUHSFXQVJN-UHFFFAOYSA-N -1 0 326.304 2.932 50 0 biogenic EFAARM CC(C)(C)OC(=O)NCCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000038528741 213213159 /nfs/dbraw/zinc/21/31/59/213213159.db2.gz LYVBDMQVKANIFJ-INIZCTEOSA-N -1 0 346.424 2.659 50 0 EFAARM CCn1c2nc(-c3ccccc3F)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000036617272 213102573 /nfs/dbraw/zinc/10/25/73/213102573.db2.gz CQYONKIVYICMEQ-UHFFFAOYSA-N -1 0 345.355 2.978 50 0 EFAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000036615491 213102402 /nfs/dbraw/zinc/10/24/02/213102402.db2.gz DYHFYEVYRKPETL-UHFFFAOYSA-N -1 0 346.343 2.633 50 0 EFAARM Cc1ccc(-c2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])cc2)cc1 ZINC000036293886 213082344 /nfs/dbraw/zinc/08/23/44/213082344.db2.gz AVPQVWDPMZOMDT-QGZVFWFLSA-N -1 0 345.420 2.900 50 0 EFAARM O=C([O-])c1nnn(-c2cccc(Br)c2)c1-c1cccnc1 ZINC000071327484 215760811 /nfs/dbraw/zinc/76/08/11/215760811.db2.gz AZFGCPBAHNDWDT-UHFFFAOYSA-N -1 0 345.156 2.790 50 0 EFAARM O=C([O-])CCCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000034927214 213001547 /nfs/dbraw/zinc/00/15/47/213001547.db2.gz SYRJWSLECOXZJB-UHFFFAOYSA-N -1 0 325.777 2.851 50 0 EFAARM O=C(CCc1cc(=O)[n-]o1)N1CCC[C@@H](Nc2cccc(F)c2)C1 ZINC000072137197 216024500 /nfs/dbraw/zinc/02/45/00/216024500.db2.gz BLYBUJIGADQGFV-CQSZACIVSA-N -1 0 333.363 2.555 50 0 EFAARM COCC1(C(=O)N2CCC[C@H](Cc3ccc(C(=O)[O-])cc3)C2)CCC1 ZINC000072156776 216045947 /nfs/dbraw/zinc/04/59/47/216045947.db2.gz SZUWQXHTLMDVPV-MRXNPFEDSA-N -1 0 345.439 2.983 50 0 EFAARM Cc1cccc2nc(C(=O)N3CC[C@@H](c4ccccc4C(=O)[O-])C3)cn21 ZINC000072167362 216057758 /nfs/dbraw/zinc/05/77/58/216057758.db2.gz XNUIKONTYMXMMJ-CQSZACIVSA-N -1 0 349.390 2.971 50 0 EFAARM CSc1ccc(CN2CCn3nc(CCC(=O)[O-])cc3C2)cc1 ZINC000072173908 216064678 /nfs/dbraw/zinc/06/46/78/216064678.db2.gz DQTDZRVGXYMMCX-UHFFFAOYSA-N -1 0 331.441 2.638 50 0 EFAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc(-c2ccncc2)[nH]n1 ZINC000072255948 216084702 /nfs/dbraw/zinc/08/47/02/216084702.db2.gz ZBKRPXRVZNTTSM-UHFFFAOYSA-N -1 0 344.396 2.590 50 0 EFAARM COc1cccc2cc(C(=O)Nc3ccc(C(=O)[O-])cc3)c(=O)oc21 ZINC000000281312 209515751 /nfs/dbraw/zinc/51/57/51/209515751.db2.gz XQWATDIWXDVFIH-UHFFFAOYSA-N -1 0 339.303 2.752 50 0 EFAARM Cc1nc(CN2CCC(C(=O)[O-])(n3ccc(C(C)(C)C)n3)CC2)co1 ZINC000072408588 216200126 /nfs/dbraw/zinc/20/01/26/216200126.db2.gz YUCJFQUSXWIBOL-UHFFFAOYSA-N -1 0 346.431 2.553 50 0 EFAARM COc1ccc(CSc2nnnn2-c2ccc(C(=O)[O-])cc2)cc1 ZINC000000080581 209406721 /nfs/dbraw/zinc/40/67/21/209406721.db2.gz KJUUEBYKNZHOQU-UHFFFAOYSA-N -1 0 342.380 2.661 50 0 EFAARM O=C([O-])C1(Oc2ccccc2)CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000072425372 216215132 /nfs/dbraw/zinc/21/51/32/216215132.db2.gz VVWOIUNEFNETIU-OAHLLOKOSA-N -1 0 329.396 2.868 50 0 EFAARM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000053943 209391630 /nfs/dbraw/zinc/39/16/30/209391630.db2.gz ZKMFIOCLFNQKNP-UHFFFAOYSA-N -1 0 339.442 2.929 50 0 EFAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000000047658 209389234 /nfs/dbraw/zinc/38/92/34/209389234.db2.gz UIAPEXJFOZNGIE-UHFFFAOYSA-N -1 0 325.773 2.927 50 0 EFAARM O=C([O-])C1(Oc2ccccc2)CCN(C(=O)C[C@@H]2C=CCC2)CC1 ZINC000072438891 216233970 /nfs/dbraw/zinc/23/39/70/216233970.db2.gz PBVUOXUJFUBVNR-OAHLLOKOSA-N -1 0 329.396 2.868 50 0 EFAARM Cc1ccoc1C(=O)N1CCC(Oc2ccc(F)cc2)(C(=O)[O-])CC1 ZINC000072447242 216237651 /nfs/dbraw/zinc/23/76/51/216237651.db2.gz GGNGWEYWDRJNOU-UHFFFAOYSA-N -1 0 347.342 2.866 50 0 EFAARM Cc1ncsc1C(=O)N1CCC(Oc2ccccc2)(C(=O)[O-])CC1 ZINC000072475819 216252761 /nfs/dbraw/zinc/25/27/61/216252761.db2.gz PCNXESQDVWARSQ-UHFFFAOYSA-N -1 0 346.408 2.590 50 0 EFAARM O=C([O-])CC[C@H](NC(=O)COCc1ccccc1)c1ccccc1 ZINC000193455021 240171930 /nfs/dbraw/zinc/17/19/30/240171930.db2.gz SUWSMVIHUTZELR-KRWDZBQOSA-N -1 0 327.380 2.926 50 0 EFAARM O=C([O-])CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000216627000 241202957 /nfs/dbraw/zinc/20/29/57/241202957.db2.gz QEBWPPCVQYXGCJ-KRWDZBQOSA-N -1 0 336.347 2.666 50 0 biogenic EFAARM O=C([O-])C1(NC(=O)c2ccccc2-c2ccccc2)CCOCC1 ZINC000218876207 241350536 /nfs/dbraw/zinc/35/05/36/241350536.db2.gz MRZVWLTUNMXTMA-UHFFFAOYSA-N -1 0 325.364 2.717 50 0 EFAARM O=C([O-])CC1(NC(=O)c2cc(=O)[nH]c3ccc(F)cc32)CCCCC1 ZINC000223782307 241690957 /nfs/dbraw/zinc/69/09/57/241690957.db2.gz LSVHFJKDWVDBNG-UHFFFAOYSA-N -1 0 346.358 2.575 50 0 EFAARM Cc1cc(C)n(-c2ccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])cc2)n1 ZINC000237680773 242750899 /nfs/dbraw/zinc/75/08/99/242750899.db2.gz TVWBMKHKJHVSDX-MRXNPFEDSA-N -1 0 327.384 2.568 50 0 EFAARM O=C([O-])CNC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 ZINC000020721750 212163399 /nfs/dbraw/zinc/16/33/99/212163399.db2.gz YSDBKZJPRFFUDE-UHFFFAOYSA-N -1 0 345.207 2.860 50 0 EFAARM O=C([O-])[C@H](NC(=O)Cn1ccc2ccc(F)cc21)c1ccccc1 ZINC000020723431 212164517 /nfs/dbraw/zinc/16/45/17/212164517.db2.gz WOIXGUDWQCTGRF-QGZVFWFLSA-N -1 0 326.327 2.723 50 0 EFAARM O=C([O-])c1ccn(CC(=O)N(Cc2ccccc2)c2ccccc2)n1 ZINC000020615237 212156197 /nfs/dbraw/zinc/15/61/97/212156197.db2.gz PTMGHKHCTFWTOZ-UHFFFAOYSA-N -1 0 335.363 2.815 50 0 EFAARM CC[C@@H](NC(=O)c1nn(C)cc1C(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000020614560 212155353 /nfs/dbraw/zinc/15/53/53/212155353.db2.gz DMBRQJNAJBCXKV-UQBQRMDASA-N -1 0 345.443 2.843 50 0 EFAARM COc1ccc(-c2cc(C(=O)[O-])n3ncc(Br)c3n2)cc1 ZINC000020605857 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CC(C)(C)c1ncc2c(n1)CC(C)(C)C[C@@H]2NC(=O)c1cc(=O)[nH][n-]1 ZINC000091650821 278572753 /nfs/dbraw/zinc/57/27/53/278572753.db2.gz IMGRQDWMWHMSQI-LBPRGKRZSA-N -1 0 343.431 2.646 50 0 EFAARM CC1(C)CC(=O)c2cc(C(=O)[O-])c(=O)n(-c3ccc(F)cc3)c2C1 ZINC000034925399 280898676 /nfs/dbraw/zinc/89/86/76/280898676.db2.gz KOWQTSKZUIFSIT-UHFFFAOYSA-N -1 0 329.327 2.830 50 0 EFAARM CCc1nnc2n1N1C(=CS[C@H]1c1ccc(C(=O)[O-])cc1)S2 ZINC000020739462 288656660 /nfs/dbraw/zinc/65/66/60/288656660.db2.gz IXENIMUVYJCBEQ-LBPRGKRZSA-N -1 0 332.410 2.827 50 0 EFAARM CN(C)C(=O)CC[C@@H]1CCCN(c2ccc(Cl)c(C(=O)[O-])n2)C1 ZINC000096133299 288952349 /nfs/dbraw/zinc/95/23/49/288952349.db2.gz YIIYZHFRVJGPGB-NSHDSACASA-N -1 0 339.823 2.518 50 0 EFAARM COc1ccc(OC)c(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])c1 ZINC000013323785 295177199 /nfs/dbraw/zinc/17/71/99/295177199.db2.gz PDQYPIKBEBBHDT-DETCHVMESA-N -1 0 333.384 2.779 50 0 EFAARM COc1ccccc1N(CCC(=O)[O-])S(=O)(=O)c1ccc(C)cc1 ZINC000012505057 295366902 /nfs/dbraw/zinc/36/69/02/295366902.db2.gz XZYYVHDMFBYFOS-UHFFFAOYSA-N -1 0 349.408 2.674 50 0 EFAARM Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])c1C ZINC000036293952 301178704 /nfs/dbraw/zinc/17/87/04/301178704.db2.gz HEPWIDOXUHHEEB-AWEZNQCLSA-N -1 0 327.446 2.698 50 0 EFAARM Cc1cc2nc(NC(=O)c3nn(C)cc3C(=O)[O-])sc2cc1C ZINC000020614841 301462515 /nfs/dbraw/zinc/46/25/15/301462515.db2.gz DOJZIGWZPVAADS-UHFFFAOYSA-N -1 0 330.369 2.597 50 0 EFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(F)c4)c=3c2=O)cc1F ZINC000101260558 301623867 /nfs/dbraw/zinc/62/38/67/301623867.db2.gz LGLUQPKCOQJLJC-CABCVRRESA-N -1 0 342.305 2.771 50 0 EFAARM Cc1ccc([C@@H](C(=O)[O-])N2CCN(C3CCCCC3)C(=O)C2)c(C)c1 ZINC000095355112 301705402 /nfs/dbraw/zinc/70/54/02/301705402.db2.gz PUJDOPJITDQTAX-IBGZPJMESA-N -1 0 344.455 2.906 50 0 EFAARM Cc1ccccc1[C@@H]1CN(C(=O)CCC(F)(F)F)C[C@H]1C(=O)[O-] ZINC000091915114 302153621 /nfs/dbraw/zinc/15/36/21/302153621.db2.gz JDWSPZOQSZHJFW-QWHCGFSZSA-N -1 0 329.318 2.964 50 0 EFAARM Cc1n[nH]c(C)c1[C@H](NC(=O)c1oc2ccc(C)cc2c1C)C(=O)[O-] ZINC000067817019 302521742 /nfs/dbraw/zinc/52/17/42/302521742.db2.gz VOESYUUQSCZYML-HNNXBMFYSA-N -1 0 341.367 2.945 50 0 EFAARM O=C([O-])[C@@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000095530754 473222205 /nfs/dbraw/zinc/22/22/05/473222205.db2.gz WTUBIBSSRQZBLC-HNNXBMFYSA-N -1 0 331.318 2.939 50 0 EFAARM CC[C@@H](C)[C@H](NC(=O)Cc1ccc2c(c1)CCC(C)(C)O2)C(=O)[O-] ZINC000096221182 473353314 /nfs/dbraw/zinc/35/33/14/473353314.db2.gz ZJYOXWYWXNGDPU-PXAZEXFGSA-N -1 0 333.428 2.948 50 0 biogenic EFAARM CCC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000081238 471320425 /nfs/dbraw/zinc/32/04/25/471320425.db2.gz CXMLYFBILSRFOH-LBPRGKRZSA-N -1 0 348.428 2.652 50 0 EFAARM O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000000099222 471323373 /nfs/dbraw/zinc/32/33/73/471323373.db2.gz POYASDCQBXPHNL-AWEZNQCLSA-N -1 0 327.361 2.809 50 0 EFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccccc2)cc1OC ZINC000000109767 471324685 /nfs/dbraw/zinc/32/46/85/471324685.db2.gz HCTNXSGHAWINLD-HNNXBMFYSA-N -1 0 343.379 2.579 50 0 EFAARM COc1ccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2Cc2ccccc2)cc1 ZINC000000142565 471328188 /nfs/dbraw/zinc/32/81/88/471328188.db2.gz REHJMAGOXBJGDO-FUHWJXTLSA-N -1 0 325.364 2.870 50 0 EFAARM O=C([O-])c1nccnc1C(=O)NCc1csc2ccc(Cl)cc12 ZINC000000147742 471328538 /nfs/dbraw/zinc/32/85/38/471328538.db2.gz GWHFPYCHRDYMIN-UHFFFAOYSA-N -1 0 347.783 2.973 50 0 EFAARM CN1C(=O)c2nc3cc(C(C)(C)C)[n-]n3c(=O)c2[C@@H]1c1ccccc1 ZINC000000155002 471329084 /nfs/dbraw/zinc/32/90/84/471329084.db2.gz ZUGNGRNMDDXGSV-INIZCTEOSA-N -1 0 336.395 2.907 50 0 EFAARM CC(C)CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000280298 471342399 /nfs/dbraw/zinc/34/23/99/471342399.db2.gz KYDYGFSNGUGIOG-UHFFFAOYSA-N -1 0 339.442 2.929 50 0 EFAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl ZINC000000280787 471342930 /nfs/dbraw/zinc/34/29/30/471342930.db2.gz XIJVRDKNVIPWNE-UHFFFAOYSA-N -1 0 329.736 2.978 50 0 EFAARM CC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000000285646 471344144 /nfs/dbraw/zinc/34/41/44/471344144.db2.gz KZQJAMUOVUUKCM-NSHDSACASA-N -1 0 348.428 2.570 50 0 EFAARM COc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2C)cc1 ZINC000000309488 471345847 /nfs/dbraw/zinc/34/58/47/471345847.db2.gz RVUMIPCZNMAHBI-UHFFFAOYSA-N -1 0 344.392 2.829 50 0 EFAARM COc1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)[O-])cc1 ZINC000000309734 471346197 /nfs/dbraw/zinc/34/61/97/471346197.db2.gz XXZYOUQAYNTHNA-UHFFFAOYSA-N -1 0 330.365 2.520 50 0 EFAARM CNS(=O)(=O)c1ccc(C)cc1Sc1ccccc1C(=O)[O-] ZINC000000337001 471349111 /nfs/dbraw/zinc/34/91/11/471349111.db2.gz GUYRDNBKGCPAGL-UHFFFAOYSA-N -1 0 337.422 2.753 50 0 EFAARM CCc1c(C)sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1C(N)=O ZINC000000369138 471352102 /nfs/dbraw/zinc/35/21/02/471352102.db2.gz GJAIXTCRPDWCKV-QWRGUYRKSA-N -1 0 338.429 2.547 50 0 EFAARM CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000483078 471365629 /nfs/dbraw/zinc/36/56/29/471365629.db2.gz NRANOBLSNMLVEI-UHFFFAOYSA-N -1 0 325.415 2.683 50 0 EFAARM O=C([O-])c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000000612902 471373902 /nfs/dbraw/zinc/37/39/02/471373902.db2.gz XDBMHGBVEFTTBW-UHFFFAOYSA-N -1 0 343.763 2.656 50 0 EFAARM O=C([O-])CN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O ZINC000000966688 471377144 /nfs/dbraw/zinc/37/71/44/471377144.db2.gz NVOHFXNOVOOOKR-UITAMQMPSA-N -1 0 342.170 2.570 50 0 EFAARM O=C(Nc1cccc(O)c1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001322460 471384790 /nfs/dbraw/zinc/38/47/90/471384790.db2.gz YSFHGIGYHAHTGU-UHFFFAOYSA-N -1 0 336.347 2.611 50 0 EFAARM O=C([O-])Cc1nn(Cc2ccc(Cl)cc2)c(=O)c2ccccc21 ZINC000001400199 471389878 /nfs/dbraw/zinc/38/98/78/471389878.db2.gz FYCKJQYQPZDJJC-UHFFFAOYSA-N -1 0 328.755 2.725 50 0 EFAARM CCOC(=O)[C@]([N-]c1ccccc1F)(NC(=O)CC)C(F)(F)F ZINC000001856269 471399204 /nfs/dbraw/zinc/39/92/04/471399204.db2.gz BAXVDNKZDAGOTJ-ZDUSSCGKSA-N -1 0 336.285 2.586 50 0 biogenic EFAARM CCCOC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc2c1CCCC2 ZINC000002095918 471400950 /nfs/dbraw/zinc/40/09/50/471400950.db2.gz HTYIPWZSGDUFJS-BQYQJAHWSA-N -1 0 337.397 2.773 50 0 EFAARM CCOC(=O)[C@@]([N-]c1ccccc1F)(NC(=O)CC)C(F)(F)F ZINC000002270803 471404561 /nfs/dbraw/zinc/40/45/61/471404561.db2.gz BAXVDNKZDAGOTJ-CYBMUJFWSA-N -1 0 336.285 2.586 50 0 biogenic EFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(F)cc2)cc1OC ZINC000002574760 471410903 /nfs/dbraw/zinc/41/09/03/471410903.db2.gz ACTVIHDNOUGKEQ-AWEZNQCLSA-N -1 0 347.342 2.789 50 0 EFAARM O=C([O-])C[C@H](NC(=O)OCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000002597329 471412203 /nfs/dbraw/zinc/41/22/03/471412203.db2.gz BVOXWAQFSMYEDZ-AWEZNQCLSA-N -1 0 343.335 2.858 50 0 EFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1 ZINC000002596111 471412545 /nfs/dbraw/zinc/41/25/45/471412545.db2.gz IQPJLNVWVQKWMI-INIZCTEOSA-N -1 0 326.327 2.733 50 0 biogenic EFAARM Cc1cccc(N2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])CC2)c1C ZINC000002739754 471418522 /nfs/dbraw/zinc/41/85/22/471418522.db2.gz ZVGUBMKKWJOTDE-SJORKVTESA-N -1 0 342.439 2.619 50 0 EFAARM NC(=O)c1c(-c2cccs2)csc1NC(=O)CCCC(=O)[O-] ZINC000002763263 471420060 /nfs/dbraw/zinc/42/00/60/471420060.db2.gz VZCISCOYALJADL-UHFFFAOYSA-N -1 0 338.410 2.769 50 0 EFAARM Cc1ccc(S(=O)(=O)[N-]c2ncn(Cc3ccccc3C)n2)cc1 ZINC000002778743 471420303 /nfs/dbraw/zinc/42/03/03/471420303.db2.gz DVPUVZLLFVWFHL-UHFFFAOYSA-N -1 0 342.424 2.744 50 0 EFAARM C[C@H](NC(=S)Nc1cccc(Cl)c1Cl)[P@@](=O)([O-])O ZINC000003045846 471431420 /nfs/dbraw/zinc/43/14/20/471431420.db2.gz NKGKGJOEOXHLIT-RXMQYKEDSA-N -1 0 329.145 2.804 50 0 EFAARM O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(C(=O)[O-])cc1 ZINC000003073035 471432426 /nfs/dbraw/zinc/43/24/26/471432426.db2.gz YEIYHUXGPBAPFP-UHFFFAOYSA-N -1 0 327.365 2.992 50 0 EFAARM O=C([O-])C[C@H]1c2ccccc2CCN1S(=O)(=O)c1ccc(F)cc1 ZINC000003200329 471434922 /nfs/dbraw/zinc/43/49/22/471434922.db2.gz SGEANWQAVGXOKQ-INIZCTEOSA-N -1 0 349.383 2.589 50 0 EFAARM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000003307209 471441943 /nfs/dbraw/zinc/44/19/43/471441943.db2.gz IFXSWTIWFGIXQO-UWVGGRQHSA-N -1 0 331.821 2.705 50 0 EFAARM CC(C)C(=O)Nc1cc(I)ccc1C(=O)[O-] ZINC000005632742 471514716 /nfs/dbraw/zinc/51/47/16/471514716.db2.gz IXDQFEBJCWXSTI-UHFFFAOYSA-N -1 0 333.125 2.584 50 0 EFAARM CC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2ccc(-n3cccc3)cc2)N1 ZINC000004151070 471459966 /nfs/dbraw/zinc/45/99/66/471459966.db2.gz QRWYOLPKBHTXJZ-OAHLLOKOSA-N -1 0 337.301 2.950 50 0 EFAARM COc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1 ZINC000004703566 471471974 /nfs/dbraw/zinc/47/19/74/471471974.db2.gz IOMNVVRUZWGARE-UHFFFAOYSA-N -1 0 342.395 2.842 50 0 EFAARM Cn1c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc2cc(F)ccc21 ZINC000005301935 471498640 /nfs/dbraw/zinc/49/86/40/471498640.db2.gz BLCFYCADRMSJKO-MRXNPFEDSA-N -1 0 326.327 2.873 50 0 EFAARM COc1ccccc1NC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000005729877 471518645 /nfs/dbraw/zinc/51/86/45/471518645.db2.gz JCKJAFKESDMTLD-UHFFFAOYSA-N -1 0 336.347 2.524 50 0 EFAARM Cc1ccccc1-n1c(Cn2ncc3ccccc3c2=O)n[n-]c1=S ZINC000005813406 471521536 /nfs/dbraw/zinc/52/15/36/471521536.db2.gz BWYZGMMCGIJOCE-UHFFFAOYSA-N -1 0 349.419 2.997 50 0 EFAARM COc1ccc(C)cc1NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000006269419 471537953 /nfs/dbraw/zinc/53/79/53/471537953.db2.gz ODLLFPHHYCWJDW-UHFFFAOYSA-N -1 0 334.397 2.627 50 0 EFAARM Cc1cccc(C[C@@H](C(=O)Nc2ccccc2F)c2nnn[n-]2)c1 ZINC000006450660 471545796 /nfs/dbraw/zinc/54/57/96/471545796.db2.gz VCTFQSVTCYHRMA-CYBMUJFWSA-N -1 0 325.347 2.612 50 0 EFAARM CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000006703212 471560765 /nfs/dbraw/zinc/56/07/65/471560765.db2.gz VVPADIPRARASFX-UHFFFAOYSA-N -1 0 332.425 2.969 50 0 EFAARM O=C([O-])Cc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 ZINC000006703602 471561705 /nfs/dbraw/zinc/56/17/05/471561705.db2.gz PIIJDRZTDAOWMD-UHFFFAOYSA-N -1 0 338.363 2.915 50 0 EFAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000006725421 471563285 /nfs/dbraw/zinc/56/32/85/471563285.db2.gz GELDDCZLWZAGHR-JKGUZNAFSA-N -1 0 331.368 2.533 50 0 EFAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000006742220 471564418 /nfs/dbraw/zinc/56/44/18/471564418.db2.gz KKGKJGJVNHIQPH-HOTGVXAUSA-N -1 0 342.395 2.528 50 0 EFAARM CCOc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)ccc1F ZINC000008715821 471701848 /nfs/dbraw/zinc/70/18/48/471701848.db2.gz UWABBQNMOGRCTH-UHFFFAOYSA-N -1 0 339.344 2.723 50 0 EFAARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=C1CCc2ccccc2N1 ZINC000009060979 471709383 /nfs/dbraw/zinc/70/93/83/471709383.db2.gz RMRZHNGPHMWVKX-WUKNDPDISA-N -1 0 347.374 2.577 50 0 EFAARM CC(C)C[C@@H](NC(=O)N1c2ccccc2NC(=O)[C@H]1C(C)C)C(=O)[O-] ZINC000009137915 471711263 /nfs/dbraw/zinc/71/12/63/471711263.db2.gz WDHILXRWGHJHIY-UKRRQHHQSA-N -1 0 347.415 2.679 50 0 EFAARM CCOc1cc(S(=O)(=O)[N-]c2ccccn2)c(OCC)cc1C ZINC000012560566 471782767 /nfs/dbraw/zinc/78/27/67/471782767.db2.gz CHWLWSKUOZIVIT-UHFFFAOYSA-N -1 0 336.413 2.988 50 0 EFAARM O=C([O-])c1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 ZINC000013944148 471844979 /nfs/dbraw/zinc/84/49/79/471844979.db2.gz FFCSLPWSINAZII-ZDUSSCGKSA-N -1 0 330.384 2.505 50 0 EFAARM CCC(=O)Oc1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000013955207 471846584 /nfs/dbraw/zinc/84/65/84/471846584.db2.gz ZWCPIBGVTAWFPN-UHFFFAOYSA-N -1 0 343.335 2.718 50 0 EFAARM CC1CCN(C(=O)c2ccccc2NC(=O)CCCC(=O)[O-])CC1 ZINC000014013081 471847748 /nfs/dbraw/zinc/84/77/48/471847748.db2.gz HKTHUVAGWJPQPF-UHFFFAOYSA-N -1 0 332.400 2.752 50 0 EFAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000014257130 471866809 /nfs/dbraw/zinc/86/68/09/471866809.db2.gz QUGMQXNOIJOXQJ-UHFFFAOYSA-N -1 0 341.335 2.942 50 0 EFAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)CC(=O)[O-] ZINC000017067032 471954275 /nfs/dbraw/zinc/95/42/75/471954275.db2.gz DLDJBMOCLIMIMJ-QMMMGPOBSA-N -1 0 327.402 2.981 50 0 EFAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000018069285 471968006 /nfs/dbraw/zinc/96/80/06/471968006.db2.gz KJVFBQUJFMDZCF-UHFFFAOYSA-N -1 0 331.802 2.989 50 0 EFAARM Cc1n[n-]c(SCC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)nc1=O ZINC000018227534 471973290 /nfs/dbraw/zinc/97/32/90/471973290.db2.gz WRFZJVDMSKNDAC-UHTWSYAYSA-N -1 0 339.461 2.569 50 0 EFAARM Cc1cc2ccccc2n1CC(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000040287004 472031089 /nfs/dbraw/zinc/03/10/89/472031089.db2.gz DPYKNIHAPRTQGC-UHFFFAOYSA-N -1 0 328.412 2.957 50 0 EFAARM COc1ccc(Nc2c([N+](=O)[O-])cc(C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000025501936 472098610 /nfs/dbraw/zinc/09/86/10/472098610.db2.gz KCASRWLLXCGCOO-UHFFFAOYSA-N -1 0 333.256 2.953 50 0 EFAARM COc1ccc2c(ccn2CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000032124189 472415134 /nfs/dbraw/zinc/41/51/34/472415134.db2.gz FFTOWXRFLHNUHN-GOSISDBHSA-N -1 0 338.363 2.592 50 0 biogenic EFAARM CCn1ncc(-c2csc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])C3(C)C)n2)c1C ZINC000071285469 472547459 /nfs/dbraw/zinc/54/74/59/472547459.db2.gz HMICSFDTZLJHIO-RYUDHWBXSA-N -1 0 348.428 2.630 50 0 EFAARM CCn1ncc(-c2csc(NC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)n2)c1C ZINC000071285467 472547583 /nfs/dbraw/zinc/54/75/83/472547583.db2.gz HMICSFDTZLJHIO-NWDGAFQWSA-N -1 0 348.428 2.630 50 0 EFAARM Nc1ccnc(N2CCC[C@](C/C=C/c3ccccc3)(C(=O)[O-])C2)n1 ZINC000071757215 472560251 /nfs/dbraw/zinc/56/02/51/472560251.db2.gz NKKGVBCYTBOLQI-AMGQUURNSA-N -1 0 338.411 2.834 50 0 EFAARM Cc1cccc2[nH]c([C@@H]3CCCN3Cc3c[nH]nc3C(=O)[O-])nc21 ZINC000071759456 472561194 /nfs/dbraw/zinc/56/11/94/472561194.db2.gz RDCKLWIIYYUNCD-ZDUSSCGKSA-N -1 0 325.372 2.630 50 0 EFAARM O=C([O-])[C@H](Cc1ccccc1)n1ccnc1-c1cccc2nonc21 ZINC000071759434 472561403 /nfs/dbraw/zinc/56/14/03/472561403.db2.gz PFXUVVYYZLNMQM-HNNXBMFYSA-N -1 0 334.335 2.955 50 0 EFAARM COc1cccc(C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)[O-])c1 ZINC000072233764 472636148 /nfs/dbraw/zinc/63/61/48/472636148.db2.gz SVLAJBNRVFAWNG-UKRRQHHQSA-N -1 0 335.400 2.948 50 0 EFAARM CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000052508238 473115696 /nfs/dbraw/zinc/11/56/96/473115696.db2.gz ZHOWDGHEJAOBGL-MNOVXSKESA-N -1 0 344.408 2.569 50 0 EFAARM Cc1c(Br)cc(Br)c2nc(C(=O)[O-])cn21 ZINC000095215791 473189995 /nfs/dbraw/zinc/18/99/95/473189995.db2.gz AGSFTASOGGIOTQ-UHFFFAOYSA-N -1 0 333.967 2.866 50 0 EFAARM Cn1ccnc1CN(Cc1cc(Cl)ccc1OCC(=O)[O-])C1CC1 ZINC000215806890 474139844 /nfs/dbraw/zinc/13/98/44/474139844.db2.gz PDPHHORNBQHGIZ-UHFFFAOYSA-N -1 0 349.818 2.702 50 0 EFAARM Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1cc(CC(C)C)nc(=O)[nH]1 ZINC000220225310 474153358 /nfs/dbraw/zinc/15/33/58/474153358.db2.gz HFICIFLCJQUEFG-LBPRGKRZSA-N -1 0 346.456 2.541 50 0 EFAARM COc1cc(F)c(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c(F)c1 ZINC000223465256 474184803 /nfs/dbraw/zinc/18/48/03/474184803.db2.gz NVPLZLYTNOWOMI-JTQLQIEISA-N -1 0 327.327 2.690 50 0 EFAARM COc1cc(F)c(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(F)c1 ZINC000223465306 474185210 /nfs/dbraw/zinc/18/52/10/474185210.db2.gz NVPLZLYTNOWOMI-SNVBAGLBSA-N -1 0 327.327 2.690 50 0 EFAARM COCCN(CC(=O)[O-])C(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000237068048 474331830 /nfs/dbraw/zinc/33/18/30/474331830.db2.gz LPTKVFISFDBWOP-UHFFFAOYSA-N -1 0 337.759 2.773 50 0 EFAARM O=C([O-])[C@@H](NC(=O)CCC(=O)c1ccc(F)cc1F)c1ccccc1 ZINC000237985875 474516777 /nfs/dbraw/zinc/51/67/77/474516777.db2.gz MCSDSXGOTNVGMW-KRWDZBQOSA-N -1 0 347.317 2.870 50 0 EFAARM C[C@@H](c1cccs1)N(C)C(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000317025281 474882919 /nfs/dbraw/zinc/88/29/19/474882919.db2.gz ULJVPBOUFAWKSQ-VIFPVBQESA-N -1 0 339.442 2.848 50 0 EFAARM CC(C)=CC(=O)N[C@@H](C(=O)[O-])c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000585145984 479300101 /nfs/dbraw/zinc/30/01/01/479300101.db2.gz FZURLTFOIAXKID-QGZVFWFLSA-N -1 0 345.374 2.836 50 0 EFAARM O=C([O-])c1ccc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)cn1 ZINC000237996776 526362590 /nfs/dbraw/zinc/36/25/90/526362590.db2.gz VOBZVBRKYWIUST-OAHLLOKOSA-N -1 0 346.770 2.647 50 0 EFAARM COC(=O)C[C@@H](CC(C)C)c1c(=O)nc2ccc(Cl)cn2c1[O-] ZINC000206050223 536308871 /nfs/dbraw/zinc/30/88/71/536308871.db2.gz UNVQMIXKAJDIJU-SNVBAGLBSA-N -1 0 338.791 2.746 50 0 EFAARM CCCc1nc(NCc2cc(OC)ccc2OC)ncc1C(=O)[O-] ZINC000169751199 564099992 /nfs/dbraw/zinc/09/99/92/564099992.db2.gz KLVMMQFPLWESQQ-UHFFFAOYSA-N -1 0 331.372 2.757 50 0 EFAARM CC(C)COc1ccccc1CN(C)Cc1cnc(C(=O)[O-])cn1 ZINC001772712517 1249301977 /nfs/dbraw/zinc/30/19/77/1249301977.db2.gz TXNCHRZAMMAHCL-UHFFFAOYSA-N -1 0 329.400 2.842 50 0 EFAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)[C@@]1(c2cccs2)CC1(C)C ZINC000065370032 1270957486 /nfs/dbraw/zinc/95/74/86/1270957486.db2.gz FENYEZBGJDVJAG-KRWDZBQOSA-N -1 0 347.440 2.952 50 0 EFAARM CC(C)c1cc(C(=O)N2CC[C@H](Cc3cccc(C(=O)[O-])c3)C2)[nH]n1 ZINC000072145386 1316227528 /nfs/dbraw/zinc/22/75/28/1316227528.db2.gz AJPAZEFLIZUVMI-CQSZACIVSA-N -1 0 341.411 2.936 50 0 EFAARM O=C([O-])CCc1cc2n(n1)CCN(Cc1nc3ccccc3s1)C2 ZINC000072151729 1316227681 /nfs/dbraw/zinc/22/76/81/1316227681.db2.gz BZWFIYAHGMUSQN-UHFFFAOYSA-N -1 0 342.424 2.526 50 0 EFAARM Cc1ccc(NC(=O)CCNc2nc(C)cc(C(=O)[O-])n2)c(C)c1 ZINC001506402804 1405752011 /nfs/dbraw/zinc/75/20/11/1405752011.db2.gz LUUNNGNCXVPEDG-UHFFFAOYSA-N -1 0 328.372 2.541 50 0 EFAARM CC(=O)c1cc(CC(=O)N[C@H](CC(=O)[O-])c2ccccc2)cs1 ZINC001506401701 1405752088 /nfs/dbraw/zinc/75/20/88/1405752088.db2.gz FNRRGAIRYLKPIR-CQSZACIVSA-N -1 0 331.393 2.825 50 0 EFAARM O=C([O-])[C@]12C[C@@]1(C(=O)[O-])C[N@H+](Cc1ccccc1-c1ccccc1)C2 ZINC001704324562 1417906955 /nfs/dbraw/zinc/90/69/55/1417906955.db2.gz APSQHZZXHIEVOV-BGYRXZFFSA-N -1 0 337.375 2.715 50 0 EFAARM COc1cc(-c2onc(NC[C@@H]3CCCO3)c2C(=O)[O-])ccc1F ZINC001704335310 1417909702 /nfs/dbraw/zinc/90/97/02/1417909702.db2.gz CWXADGDGYMRNDV-JTQLQIEISA-N -1 0 336.319 2.778 50 0 EFAARM Cc1ccc(-c2nn[n-]n2)cc1-n1ccnc1-c1ccnc(C(C)C)n1 ZINC000072423010 1424796333 /nfs/dbraw/zinc/79/63/33/1424796333.db2.gz JMGRPVSDGPFORC-UHFFFAOYSA-N -1 0 346.398 2.941 50 0 EFAARM O=C([O-])/C(=C\c1ccco1)NC(=O)c1ccc(Br)cc1 ZINC000005896573 717725053 /nfs/dbraw/zinc/72/50/53/717725053.db2.gz ODDZGARBAKEAEN-XYOKQWHBSA-N -1 0 336.141 2.898 50 0 EFAARM Cn1c(=O)c(C(=O)NCc2ccccc2Cl)c([O-])c2ccccc21 ZINC000006557231 1098107283 /nfs/dbraw/zinc/10/72/83/1098107283.db2.gz JOYNKCJTNJWGDU-UHFFFAOYSA-N -1 0 342.782 2.828 50 0 EFAARM Cc1ccc2c(cc(C(=O)N3C[C@@H](C(=O)[O-])[C@H](C4CC4)C3)n2C)c1 ZINC000097698670 219049563 /nfs/dbraw/zinc/04/95/63/219049563.db2.gz WMTXTLKPGCRHJZ-LSDHHAIUSA-N -1 0 326.396 2.670 50 0 EFAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccc(Br)cc1 ZINC000004704044 210253839 /nfs/dbraw/zinc/25/38/39/210253839.db2.gz GMISXCGCKHTHQV-CQSZACIVSA-N -1 0 348.196 2.875 50 0 EFAARM COc1cc(C(=O)[O-])cc(C(=O)N[C@H](c2cccc(C)n2)C2CC2)c1 ZINC000097729729 219051257 /nfs/dbraw/zinc/05/12/57/219051257.db2.gz RDPACIZFCKPOKF-KRWDZBQOSA-N -1 0 340.379 2.978 50 0 EFAARM CC(C)CCn1c2ccc(C(=O)[O-])cc2n(Cc2cccnc2)c1=O ZINC000055269802 214298100 /nfs/dbraw/zinc/29/81/00/214298100.db2.gz IHARPXFPSOUEKM-UHFFFAOYSA-N -1 0 339.395 2.991 50 0 EFAARM CCCCC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000055243625 214294164 /nfs/dbraw/zinc/29/41/64/214294164.db2.gz LGGJKKLIGQVXOZ-OAHLLOKOSA-N -1 0 332.400 2.895 50 0 EFAARM Cc1c(NC(=O)c2ncccc2[O-])cccc1C(=O)NC(C)(C)C ZINC000055340754 214309011 /nfs/dbraw/zinc/30/90/11/214309011.db2.gz FTGMFWHPQPLNEF-UHFFFAOYSA-N -1 0 327.384 2.876 50 0 EFAARM CC(C)OCc1nc(COc2cccc(Cl)c2)nn1CC(=O)[O-] ZINC000097784879 219057198 /nfs/dbraw/zinc/05/71/98/219057198.db2.gz VSXALXKCDXRZIC-UHFFFAOYSA-N -1 0 339.779 2.520 50 0 EFAARM O=C([O-])CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000004679926 210246865 /nfs/dbraw/zinc/24/68/65/210246865.db2.gz ZUHOWSCMICEHEH-UHFFFAOYSA-N -1 0 331.821 2.748 50 0 EFAARM COc1cc(NC(=O)COc2ccccc2C)c(C(=O)[O-])cc1OC ZINC000004599803 210231113 /nfs/dbraw/zinc/23/11/13/210231113.db2.gz IZOMNXTVBLHJCC-UHFFFAOYSA-N -1 0 345.351 2.728 50 0 EFAARM COC(=O)c1ccccc1NC(=O)[C@@H]1CC(C)=C[C@@H](C)[C@H]1C(=O)[O-] ZINC000004599684 210230556 /nfs/dbraw/zinc/23/05/56/210230556.db2.gz VCPDVWFFARSXHH-UXIGCNINSA-N -1 0 331.368 2.715 50 0 EFAARM COc1cc([O-])c2c(=O)c(O)c([C@@H]3CC=C(OC)C(=O)C3)oc2c1 ZINC000100057274 219089845 /nfs/dbraw/zinc/08/98/45/219089845.db2.gz OIZRJFXNIACEIR-MRVPVSSYSA-N -1 0 332.308 2.672 50 0 EFAARM C[C@@H](NC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3)c1ccccc1 ZINC000100331704 219096859 /nfs/dbraw/zinc/09/68/59/219096859.db2.gz UVILXWZMEDEBBV-GFCCVEGCSA-N -1 0 334.375 2.754 50 0 biogenic EFAARM CCCn1c2ccccc2c([O-])c(C(=O)Nc2nnc(C)s2)c1=O ZINC000100502103 219100410 /nfs/dbraw/zinc/10/04/10/219100410.db2.gz KBTDUOKCDUOCAO-UHFFFAOYSA-N -1 0 344.396 2.529 50 0 EFAARM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)s2)C1 ZINC000004419573 210190551 /nfs/dbraw/zinc/19/05/51/210190551.db2.gz UDZDCHLEOPSIID-OCAPTIKFSA-N -1 0 337.850 2.766 50 0 EFAARM COc1ccccc1Oc1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000004385070 210184994 /nfs/dbraw/zinc/18/49/94/210184994.db2.gz FZUQBYHJGYTYHR-GFCCVEGCSA-N -1 0 327.336 2.925 50 0 EFAARM Cc1ccccc1Cn1[nH][n-]c2c(=O)n(-c3ccc(F)cc3)c(=O)c1=2 ZINC000101167192 219117641 /nfs/dbraw/zinc/11/76/41/219117641.db2.gz BUDCIVYQXQAJGU-HZPDHXFCSA-N -1 0 338.342 2.628 50 0 EFAARM Cc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1 ZINC000101167211 219117927 /nfs/dbraw/zinc/11/79/27/219117927.db2.gz QZXPZXURUSPHTR-HZPDHXFCSA-N -1 0 338.342 2.628 50 0 EFAARM Cc1cccc(-n2[nH][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)c1 ZINC000101262576 219119702 /nfs/dbraw/zinc/11/97/02/219119702.db2.gz QADSBWXIGOPAPN-ROUUACIJSA-N -1 0 346.390 2.982 50 0 EFAARM Cc1cccc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)c1 ZINC000101260606 219120075 /nfs/dbraw/zinc/12/00/75/219120075.db2.gz SXYUEWWGSQBQGB-CVEARBPZSA-N -1 0 338.342 2.940 50 0 EFAARM COc1ccc(C(=O)c2c(C)[n-]n(-c3ccccc3)c2=O)c(OC)c1 ZINC000101348377 219123400 /nfs/dbraw/zinc/12/34/00/219123400.db2.gz GALRAGCRKYEKEF-KRWDZBQOSA-N -1 0 338.363 2.925 50 0 EFAARM COc1ccc(C(=O)c2c(C)[n-]n(-c3ccccc3)c2=O)c(OC)c1 ZINC000101348382 219123610 /nfs/dbraw/zinc/12/36/10/219123610.db2.gz GALRAGCRKYEKEF-QGZVFWFLSA-N -1 0 338.363 2.925 50 0 EFAARM O=c1c2[n-][nH]n(Cc3cccc(Cl)c3)c=2c(=O)n1-c1ccccc1 ZINC000101417209 219126311 /nfs/dbraw/zinc/12/63/11/219126311.db2.gz PTSFIWKTNVDUKK-GJZGRUSLSA-N -1 0 340.770 2.833 50 0 EFAARM O=C([O-])CSCC(=O)NCc1csc2ccc(Cl)cc12 ZINC000004324910 210172333 /nfs/dbraw/zinc/17/23/33/210172333.db2.gz MRGLPTSKCNOOIH-UHFFFAOYSA-N -1 0 329.830 2.989 50 0 EFAARM Cc1c2c(cc(=O)n1Cc1cccnc1)[n-]n(-c1ccccc1)c2=O ZINC000102492492 219206535 /nfs/dbraw/zinc/20/65/35/219206535.db2.gz UNHLTMFEABDKLY-UHFFFAOYSA-N -1 0 332.363 2.596 50 0 EFAARM O=C([O-])c1cccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000003295860 210000003 /nfs/dbraw/zinc/00/00/03/210000003.db2.gz YNMDTZTUYCWFAX-MRXNPFEDSA-N -1 0 331.393 2.741 50 0 EFAARM C[C@H](c1cccs1)N(C)C(=O)c1ccc(N2CC(=O)N=C2[O-])cc1 ZINC000067605622 215168327 /nfs/dbraw/zinc/16/83/27/215168327.db2.gz WNSFCKJUUIHAJJ-LLVKDONJSA-N -1 0 343.408 2.638 50 0 EFAARM Cc1c(C(=O)[O-])sc2ncnc(NC[C@@H](C)Oc3cccnc3)c12 ZINC000067690882 215185107 /nfs/dbraw/zinc/18/51/07/215185107.db2.gz DYYJNPSHNGQUHA-SECBINFHSA-N -1 0 344.396 2.972 50 0 EFAARM Cc1cccnc1CN(C)Cc1nc(-c2ccc(C(=O)[O-])cc2)no1 ZINC000067754541 215202614 /nfs/dbraw/zinc/20/26/14/215202614.db2.gz LMRWHPYJQKYMBY-UHFFFAOYSA-N -1 0 338.367 2.770 50 0 EFAARM C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000067982576 215266596 /nfs/dbraw/zinc/26/65/96/215266596.db2.gz VKFKLJPIJINWJH-SNVBAGLBSA-N -1 0 337.272 2.614 50 0 EFAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1nnc(-c2cccs2)s1 ZINC000002766012 209906628 /nfs/dbraw/zinc/90/66/28/209906628.db2.gz OKHALOUFCQKNAV-RKDXNWHRSA-N -1 0 335.410 2.872 50 0 EFAARM CCOC(=O)c1c(NC(=O)/C(C)=C/C(=O)[O-])sc2c1CCCC2 ZINC000002696558 209891843 /nfs/dbraw/zinc/89/18/43/209891843.db2.gz YGDWQRIIZPATGV-CMDGGOBGSA-N -1 0 337.397 2.773 50 0 EFAARM O=C([O-])C1(Oc2ccc(F)cc2)CCN(C(=O)[C@@H]2CC23CCC3)CC1 ZINC000072421855 304034818 /nfs/dbraw/zinc/03/48/18/304034818.db2.gz YUYGFUSWNAXFEG-HNNXBMFYSA-N -1 0 347.386 2.841 50 0 EFAARM COc1cc(C)c(/C=C(\NC(=O)c2ccccc2)C(=O)[O-])c(OC)c1 ZINC000001698460 209783973 /nfs/dbraw/zinc/78/39/73/209783973.db2.gz RIQYZGLBZDWGJX-WJDWOHSUSA-N -1 0 341.363 2.868 50 0 EFAARM COc1cccc2c1ccn2CC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000040313219 213291259 /nfs/dbraw/zinc/29/12/59/213291259.db2.gz VXHVNWKZSGZHQE-GOSISDBHSA-N -1 0 338.363 2.592 50 0 biogenic EFAARM Cc1cc2ccccc2n1CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000040309767 213290975 /nfs/dbraw/zinc/29/09/75/213290975.db2.gz PKLXQSTXIFIWCL-KRWDZBQOSA-N -1 0 336.391 2.762 50 0 biogenic EFAARM NC(=O)c1c(SCc2ccccc2)sc2c1[nH]c(=O)cc2[O-] ZINC000040268175 213287363 /nfs/dbraw/zinc/28/73/63/213287363.db2.gz BCLFSFWDRWVFSC-UHFFFAOYSA-N -1 0 332.406 2.686 50 0 EFAARM Cc1ccc(C)c(N(Cc2ccc(C(=O)[O-])cc2)S(C)(=O)=O)c1 ZINC000039315708 213234277 /nfs/dbraw/zinc/23/42/77/213234277.db2.gz RAFSCUQPWNTRJM-UHFFFAOYSA-N -1 0 333.409 2.968 50 0 EFAARM CC(C)NC(=O)c1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000038928899 213230380 /nfs/dbraw/zinc/23/03/80/213230380.db2.gz MUBVEXLZRGQRPP-UHFFFAOYSA-N -1 0 340.379 2.704 50 0 biogenic EFAARM CCOc1c(I)cc(/C=C/C(=O)[O-])cc1OC ZINC000000586282 209672953 /nfs/dbraw/zinc/67/29/53/209672953.db2.gz UMODLKKPJXWXBK-SNAWJCMRSA-N -1 0 348.136 2.796 50 0 EFAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000000470147 209621458 /nfs/dbraw/zinc/62/14/58/209621458.db2.gz RXFLHECGAOKCJX-UHFFFAOYSA-N -1 0 331.802 2.989 50 0 EFAARM COc1cc(/C=C/C(=O)[O-])ccc1OCC(=O)Nc1ccccc1 ZINC000000466149 209618097 /nfs/dbraw/zinc/61/80/97/209618097.db2.gz XHVKTDRQOZEKGX-CSKARUKUSA-N -1 0 327.336 2.811 50 0 EFAARM N=C1NC(=O)/C(=C\c2cc(Br)cc(Cl)c2[O-])S1 ZINC000003899250 283270209 /nfs/dbraw/zinc/27/02/09/283270209.db2.gz YFIFRZLOKVWADU-FARCUNLSSA-N -1 0 333.594 2.947 50 0 EFAARM C[C@@H]1C[C@H](C)C[N@H+]([C@H](C(=O)[O-])c2cn(C)c3ccc(C(=O)[O-])cc23)C1 ZINC000036359750 213089354 /nfs/dbraw/zinc/08/93/54/213089354.db2.gz FBJJZEALDGNRJF-JKDFXYPNSA-N -1 0 344.411 2.980 50 0 EFAARM O=C([O-])CNc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000394551 304069678 /nfs/dbraw/zinc/06/96/78/304069678.db2.gz BQISFFIKDQJKKW-UHFFFAOYSA-N -1 0 325.773 2.669 50 0 EFAARM Cc1nn(CC(=O)N2CC[C@H](c3ccccc3C(=O)[O-])C2)c(C)c1C ZINC000072129805 216020279 /nfs/dbraw/zinc/02/02/79/216020279.db2.gz MRRIZOTUFBEPGD-HNNXBMFYSA-N -1 0 341.411 2.523 50 0 EFAARM Cc1nc(CC(=O)N2CC[C@H](c3ccccc3C(=O)[O-])C2)cs1 ZINC000072171700 216063684 /nfs/dbraw/zinc/06/36/84/216063684.db2.gz JWKIMHVUHUBBEB-LBPRGKRZSA-N -1 0 330.409 2.708 50 0 EFAARM O=C([O-])Cc1ccc(I)c(Br)c1 ZINC000040571539 304088836 /nfs/dbraw/zinc/08/88/36/304088836.db2.gz VUOSGOOAZMZAOM-UHFFFAOYSA-N -1 0 340.942 2.681 50 0 EFAARM O=C([O-])Cc1cccc(I)c1Br ZINC000169795996 304089458 /nfs/dbraw/zinc/08/94/58/304089458.db2.gz CWEJXOWJTHXDKA-UHFFFAOYSA-N -1 0 340.942 2.681 50 0 EFAARM COc1ccc(Cc2nnc(SCC(=O)[O-])n2CC(C)C)cc1 ZINC000072328125 216152984 /nfs/dbraw/zinc/15/29/84/216152984.db2.gz OVNJAERZQCYRFH-UHFFFAOYSA-N -1 0 335.429 2.710 50 0 EFAARM CCOC(=O)C[C@H](c1cccnc1)c1c([O-])c2ccccc2[nH]c1=O ZINC000072325837 216153008 /nfs/dbraw/zinc/15/30/08/216153008.db2.gz BTNFNAMREJMGIF-CQSZACIVSA-N -1 0 338.363 2.714 50 0 biogenic EFAARM COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)cc1OC ZINC000000203403 209481978 /nfs/dbraw/zinc/48/19/78/209481978.db2.gz BAZGVEVIVJMDHK-AWEZNQCLSA-N -1 0 347.342 2.789 50 0 EFAARM CC(=O)Oc1ccc(NC(=O)CCc2ccccc2)c(C(=O)[O-])c1 ZINC000000211684 209486995 /nfs/dbraw/zinc/48/69/95/209486995.db2.gz QJDUJFIZIXJXAN-UHFFFAOYSA-N -1 0 327.336 2.881 50 0 EFAARM O=C([O-])c1cc(NC(=O)CCc2nc3ccccc3[nH]2)ccc1O ZINC000072406314 216197167 /nfs/dbraw/zinc/19/71/67/216197167.db2.gz RCSGFMKAQXPEMC-UHFFFAOYSA-N -1 0 325.324 2.538 50 0 EFAARM O=C([O-])c1nccnc1C(=O)Nc1ccnc2ccc(Cl)cc21 ZINC000072401791 216194119 /nfs/dbraw/zinc/19/41/19/216194119.db2.gz NGDHJEWWVNNPDW-UHFFFAOYSA-N -1 0 328.715 2.629 50 0 EFAARM Cc1ccccc1OC1(C(=O)[O-])CCN(C(=O)c2ccoc2)CC1 ZINC000072408747 216199536 /nfs/dbraw/zinc/19/95/36/216199536.db2.gz WOCOLPHADKMUOM-UHFFFAOYSA-N -1 0 329.352 2.726 50 0 EFAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(C)c2)cc1OC ZINC000000109788 209426828 /nfs/dbraw/zinc/42/68/28/209426828.db2.gz BADYCCOWMQBYKC-OAHLLOKOSA-N -1 0 343.379 2.958 50 0 EFAARM Cc1cccc(OC2(C(=O)[O-])CCN(C(=O)N3CCCC3)CC2)c1 ZINC000072419749 216207686 /nfs/dbraw/zinc/20/76/86/216207686.db2.gz LWSWSSNCTDNBFZ-UHFFFAOYSA-N -1 0 332.400 2.509 50 0 EFAARM O=C([O-])c1ccc(-n2nnnc2SCc2ccccc2F)cc1 ZINC000000080619 209407136 /nfs/dbraw/zinc/40/71/36/209407136.db2.gz ZTKZQYVWQKJBKX-UHFFFAOYSA-N -1 0 330.344 2.792 50 0 EFAARM COc1cc(NC(=O)CCc2ccccc2)c(C(=O)[O-])cc1OC ZINC000000054504 209391430 /nfs/dbraw/zinc/39/14/30/209391430.db2.gz ODZDJABMNTVTNJ-UHFFFAOYSA-N -1 0 329.352 2.973 50 0 biogenic EFAARM O=C([O-])c1ccc(C[C@H]2CCN(C(=O)CCc3cccnc3)C2)cc1 ZINC000072426338 216215694 /nfs/dbraw/zinc/21/56/94/216215694.db2.gz WAKPDSFVRLJHDR-QGZVFWFLSA-N -1 0 338.407 2.804 50 0 EFAARM O=C([O-])C1(Oc2ccccc2)CCN(C(=O)c2cccs2)CC1 ZINC000072425473 216216084 /nfs/dbraw/zinc/21/60/84/216216084.db2.gz SZQPDUAQTDXOQR-UHFFFAOYSA-N -1 0 331.393 2.887 50 0 EFAARM O=C([O-])c1ccc(C[C@@H]2CCN(C(=O)CCc3cccnc3)C2)cc1 ZINC000072426339 216216504 /nfs/dbraw/zinc/21/65/04/216216504.db2.gz WAKPDSFVRLJHDR-KRWDZBQOSA-N -1 0 338.407 2.804 50 0 EFAARM CC(C)c1ccn(C2(C(=O)[O-])CCN(C(=O)C[C@H]3C=CCC3)CC2)n1 ZINC000072433816 216227986 /nfs/dbraw/zinc/22/79/86/216227986.db2.gz JARIOCYJXABNHQ-HNNXBMFYSA-N -1 0 345.443 2.765 50 0 EFAARM CCc1c(C)scc1C(=O)N1CCC(C(=O)[O-])(n2ccnc2)CC1 ZINC000072433892 216228395 /nfs/dbraw/zinc/22/83/95/216228395.db2.gz VEHVFYYBOHLZTL-UHFFFAOYSA-N -1 0 347.440 2.532 50 0 EFAARM CC[C@H](Nc1nccc(-c2cc(C(=O)[O-])ccn2)n1)c1cnn(C)c1 ZINC000072440110 216233658 /nfs/dbraw/zinc/23/36/58/216233658.db2.gz AVZMIRAVIWBTSA-ZDUSSCGKSA-N -1 0 338.371 2.534 50 0 EFAARM O=C(CCc1cc(=O)[n-]o1)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000072439746 216233923 /nfs/dbraw/zinc/23/39/23/216233923.db2.gz LSWHCZZBHCRTRR-ZDUSSCGKSA-N -1 0 348.374 2.770 50 0 EFAARM Cc1ncccc1OC1(C(=O)[O-])CCN(C(=O)C[C@H]2C=CCC2)CC1 ZINC000072454206 216241637 /nfs/dbraw/zinc/24/16/37/216241637.db2.gz NVELOWGLSZQERU-HNNXBMFYSA-N -1 0 344.411 2.571 50 0 EFAARM O=C([O-])CCc1ccc(-c2ccc(CN3CCOCC3)cn2)cc1 ZINC000215754229 241142327 /nfs/dbraw/zinc/14/23/27/241142327.db2.gz KSGWVVRXNMENTD-UHFFFAOYSA-N -1 0 326.396 2.598 50 0 EFAARM O=S(=O)([N-]c1ccn2nccc2c1)c1ccc(F)c(Cl)c1 ZINC000217961633 241288024 /nfs/dbraw/zinc/28/80/24/241288024.db2.gz XJHRTSYRULRSMM-UHFFFAOYSA-N -1 0 325.752 2.928 50 0 EFAARM O=C([O-])c1ccc(CNC(=O)Cn2ccc3ccc(F)cc32)cc1 ZINC000020745941 212167813 /nfs/dbraw/zinc/16/78/13/212167813.db2.gz FIESGISWBLLSCV-UHFFFAOYSA-N -1 0 326.327 2.795 50 0 EFAARM CC[C@@H](C)[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000020723341 212163961 /nfs/dbraw/zinc/16/39/61/212163961.db2.gz IYFKCFCIYMZYHF-ABAIWWIYSA-N -1 0 332.425 2.968 50 0 EFAARM NC(=O)c1cc2ccccc2o/c1=N\c1cccc(/C=C/C(=O)[O-])c1 ZINC000020533925 212144696 /nfs/dbraw/zinc/14/46/96/212144696.db2.gz ORDRUZNVUFEEQF-VJNXUPDASA-N -1 0 334.331 2.862 50 0 EFAARM CCCc1cc(C(N)=O)c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC000017071013 284105726 /nfs/dbraw/zinc/10/57/26/284105726.db2.gz KSRZPBJWXFQPAM-WDEREUQCSA-N -1 0 338.429 2.629 50 0 EFAARM O=C([O-])c1ccc(N2C(=S)N=NC2c2cc(C3CC3)n[nH]2)cc1 ZINC000020110795 212102287 /nfs/dbraw/zinc/10/22/87/212102287.db2.gz CITMGAYWFLLRGW-UHFFFAOYSA-N -1 0 327.369 2.522 50 0 EFAARM O=C([O-])c1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000019720618 212058289 /nfs/dbraw/zinc/05/82/89/212058289.db2.gz KBFPUUYIBBJCDE-CQSZACIVSA-N -1 0 344.754 2.782 50 0 EFAARM O=C([O-])[C@@]1(Cc2ccc(F)cc2F)CCCN(c2cnccn2)C1 ZINC000071762007 304163264 /nfs/dbraw/zinc/16/32/64/304163264.db2.gz ZXSYQAYTWXESNK-QGZVFWFLSA-N -1 0 333.338 2.669 50 0 EFAARM CC[C@H](C)[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000080357113 217300641 /nfs/dbraw/zinc/30/06/41/217300641.db2.gz IYFKCFCIYMZYHF-XHDPSFHLSA-N -1 0 332.425 2.968 50 0 EFAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(F)c2)C[C@H]1C(=O)[O-] ZINC000014632521 211748935 /nfs/dbraw/zinc/74/89/35/211748935.db2.gz RWXPMBHZLHBVRG-GWCFXTLKSA-N -1 0 343.326 2.806 50 0 EFAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccccc1NCc1ccccn1 ZINC000426371005 304179324 /nfs/dbraw/zinc/17/93/24/304179324.db2.gz MTCNZXMQOIBZLA-QGZVFWFLSA-N -1 0 339.395 2.773 50 0 EFAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1cccc2cccc(Cl)c21 ZINC000004344175 304188020 /nfs/dbraw/zinc/18/80/20/304188020.db2.gz KEQKJKJZWCBCFD-GFCCVEGCSA-N -1 0 339.800 2.731 50 0 EFAARM Cc1cc(C)n(CCCC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)n1 ZINC000426734202 247294625 /nfs/dbraw/zinc/29/46/25/247294625.db2.gz ALRMEUHTBOIJEA-INIZCTEOSA-N -1 0 329.400 2.612 50 0 EFAARM Cc1noc(C)c1[C@H]1CCCN1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000426358230 247267884 /nfs/dbraw/zinc/26/78/84/247267884.db2.gz GOFIWTZKQAELLV-GFCCVEGCSA-N -1 0 333.344 2.629 50 0 EFAARM COc1ccc(N2C[C@@H](c3n[n-]c(=S)o3)CC2=O)cc1Cl ZINC000012415027 211373062 /nfs/dbraw/zinc/37/30/62/211373062.db2.gz WGHHVUJOHRQFCI-ZETCQYMHSA-N -1 0 325.777 2.915 50 0 EFAARM CC(C)NC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000012382599 211363407 /nfs/dbraw/zinc/36/34/07/211363407.db2.gz PHJYSWLLPKZPMZ-GJZGRUSLSA-N -1 0 332.400 2.654 50 0 EFAARM CC(C)NC(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000012382600 211363489 /nfs/dbraw/zinc/36/34/89/211363489.db2.gz PHJYSWLLPKZPMZ-HUUCEWRRSA-N -1 0 332.400 2.654 50 0 EFAARM O=C([O-])[C@@H]1CN(C(=O)c2cccc3cccnc32)C[C@H]1c1ccccn1 ZINC000091320756 217994275 /nfs/dbraw/zinc/99/42/75/217994275.db2.gz PMLTWOZOAKRSAI-HZPDHXFCSA-N -1 0 347.374 2.570 50 0 EFAARM COCCCCCC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](C(=O)[O-])C1 ZINC000091391020 218000166 /nfs/dbraw/zinc/00/01/66/218000166.db2.gz YYEOPUWKXOCQPY-JKSUJKDBSA-N -1 0 337.391 2.659 50 0 EFAARM CCc1nccn1CCC(=O)N1CCC[C@](CC=C(C)C)(C(=O)[O-])C1 ZINC000091381338 218000333 /nfs/dbraw/zinc/00/03/33/218000333.db2.gz QQFGJJXKJVOWTR-LJQANCHMSA-N -1 0 347.459 2.885 50 0 EFAARM CCCc1cc(C(=O)N2C[C@@H](c3ccccc3C)[C@H](C(=O)[O-])C2)[nH]n1 ZINC000091494528 218014428 /nfs/dbraw/zinc/01/44/28/218014428.db2.gz OMGSCIGNKIQSPF-JKSUJKDBSA-N -1 0 341.411 2.611 50 0 EFAARM CCOc1c(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cccc1OC ZINC000011863161 211259676 /nfs/dbraw/zinc/25/96/76/211259676.db2.gz NAQJCMCIHLZYLS-KBPBESRZSA-N -1 0 335.400 2.601 50 0 EFAARM O=C([O-])[C@@H]1CN(C(=O)Cc2cccc(C(F)(F)F)c2)C[C@H]1C1CC1 ZINC000091551156 218021450 /nfs/dbraw/zinc/02/14/50/218021450.db2.gz PRTBYGZQSJSFQS-UONOGXRCSA-N -1 0 341.329 2.817 50 0 EFAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)C2(c3ccccc3F)CC2)C1 ZINC000091563059 218022654 /nfs/dbraw/zinc/02/26/54/218022654.db2.gz GHTMKZGOYMPGHO-GOSISDBHSA-N -1 0 349.402 2.587 50 0 EFAARM CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1cccc2cccnc21 ZINC000011691470 211235514 /nfs/dbraw/zinc/23/55/14/211235514.db2.gz PPRXFFUMDSFSHC-UHFFFAOYSA-N -1 0 342.376 2.758 50 0 EFAARM Cc1cc(N2CCC3(COC(=O)O3)CC2)nc(-c2ccccc2[O-])n1 ZINC000091849001 218076983 /nfs/dbraw/zinc/07/69/83/218076983.db2.gz DSZUVRKDKPFKOM-UHFFFAOYSA-N -1 0 341.367 2.663 50 0 EFAARM Cc1nc(CC(=O)N2C[C@@H](c3ccccc3C)[C@H](C(=O)[O-])C2)cs1 ZINC000092003016 218102028 /nfs/dbraw/zinc/10/20/28/218102028.db2.gz WONNIWTXFRZNMJ-JKSUJKDBSA-N -1 0 344.436 2.629 50 0 EFAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cccc(OC)c2C)C1 ZINC000092080560 218116674 /nfs/dbraw/zinc/11/66/74/218116674.db2.gz SQMIIARHXLDXTE-IBGZPJMESA-N -1 0 349.427 2.737 50 0 EFAARM CCOCCOc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000010325467 211164114 /nfs/dbraw/zinc/16/41/14/211164114.db2.gz XTWSALUWGUBDCD-JKSUJKDBSA-N -1 0 335.400 2.931 50 0 EFAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)s1 ZINC000009828277 211125611 /nfs/dbraw/zinc/12/56/11/211125611.db2.gz IMQUGXVSYYAUQB-UHFFFAOYSA-N -1 0 336.438 2.996 50 0 EFAARM Cc1cc(C)c2c(=O)[nH]c(SCC(=O)c3ccccc3)nc2n1 ZINC000009434184 211082705 /nfs/dbraw/zinc/08/27/05/211082705.db2.gz DKAAVYWZDKHOJC-UHFFFAOYSA-N -1 0 325.393 2.910 50 0 EFAARM O=C(CSc1nnc(-c2ccccc2)c(=O)[n-]1)Nc1ccccc1 ZINC000009341951 211071276 /nfs/dbraw/zinc/07/12/76/211071276.db2.gz SODUCZQKSTVMHF-UHFFFAOYSA-N -1 0 338.392 2.563 50 0 EFAARM Cc1cc(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)nc(C)n1 ZINC000095368136 218299868 /nfs/dbraw/zinc/29/98/68/218299868.db2.gz GGJCVZALAYRZTR-MRXNPFEDSA-N -1 0 339.395 2.811 50 0 EFAARM Cc1ncsc1CCC(=O)N[C@H](C(=O)[O-])c1ccccc1Cl ZINC000095371497 218304395 /nfs/dbraw/zinc/30/43/95/218304395.db2.gz CMWYCHGHPJRTSM-AWEZNQCLSA-N -1 0 338.816 2.980 50 0 EFAARM COc1ccc(F)c([C@@H](C(=O)[O-])N(C)Cc2nc(C(C)C)no2)c1 ZINC000095380085 218312255 /nfs/dbraw/zinc/31/22/55/218312255.db2.gz OEUSFUMSXHMXPN-AWEZNQCLSA-N -1 0 337.351 2.598 50 0 EFAARM CCCc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)n(C)n1 ZINC000095388271 218320245 /nfs/dbraw/zinc/32/02/45/218320245.db2.gz OAVYFGHKJLSMTD-CQSZACIVSA-N -1 0 335.791 2.582 50 0 EFAARM Cn1cc(Cl)c(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)n1 ZINC000095383601 218315638 /nfs/dbraw/zinc/31/56/38/218315638.db2.gz MBNHUDOWDCUHJG-CYBMUJFWSA-N -1 0 347.802 2.792 50 0 EFAARM Cc1nc2[n-]c(NC(=O)c3cccc(Cl)c3)nn2c(=O)c1Cl ZINC000008856606 211012934 /nfs/dbraw/zinc/01/29/34/211012934.db2.gz UKPHBLWNFXUUOE-UHFFFAOYSA-N -1 0 338.154 2.697 50 0 EFAARM COc1cccc(Cl)c1[C@H](C(=O)[O-])N(C)Cc1c(C)n[nH]c1C ZINC000095386360 218318077 /nfs/dbraw/zinc/31/80/77/218318077.db2.gz KEKBMLWNPVTKFX-OAHLLOKOSA-N -1 0 337.807 2.946 50 0 EFAARM O=C([O-])CCCC(=O)NCc1ccc(C2(C(F)(F)F)N=N2)cc1 ZINC000095917805 218449624 /nfs/dbraw/zinc/44/96/24/218449624.db2.gz UHQUHZREIAMOAW-UHFFFAOYSA-N -1 0 329.278 2.739 50 0 EFAARM O=C(NCc1ccc(F)cc1)Nc1c(=O)oc2ccccc2c1[O-] ZINC000006746470 210699113 /nfs/dbraw/zinc/69/91/13/210699113.db2.gz GRPUURHLBMNPNN-UHFFFAOYSA-N -1 0 328.299 2.959 50 0 EFAARM O=C([O-])c1ccc([C@@H]2CC(=O)Oc3ccc4nsnc4c32)cc1 ZINC000096231537 304250884 /nfs/dbraw/zinc/25/08/84/304250884.db2.gz QUIYQVOVQHZIET-JTQLQIEISA-N -1 0 326.333 2.831 50 0 EFAARM CCc1ccccc1N(CC(=O)[O-])S(=O)(=O)c1ccc(C)cc1 ZINC000004996226 210354575 /nfs/dbraw/zinc/35/45/75/210354575.db2.gz PWKJHKJEYRBDAB-UHFFFAOYSA-N -1 0 333.409 2.837 50 0 EFAARM COc1ccc(C)cc1S(=O)(=O)N(CC(=O)[O-])c1cccc(C)c1 ZINC000004868575 210308867 /nfs/dbraw/zinc/30/88/67/210308867.db2.gz GBEMMGJRCXVOBF-UHFFFAOYSA-N -1 0 349.408 2.592 50 0 EFAARM COc1cc(OC)c(CN(C)Cc2csc(C)n2)c(C(=O)[O-])c1 ZINC000097528983 219033574 /nfs/dbraw/zinc/03/35/74/219033574.db2.gz CGCPUHHHAXUATF-UHFFFAOYSA-N -1 0 336.413 2.799 50 0 EFAARM O=C([O-])c1cc(NC(=O)CSc2nc3ccccc3o2)ccc1O ZINC000004748846 210269049 /nfs/dbraw/zinc/26/90/49/210269049.db2.gz IWOOZMBLTBYBAD-UHFFFAOYSA-N -1 0 344.348 2.962 50 0 EFAARM C[C@]12C[C@H](c3ccccc3O1)[C@H](C(=O)[O-])C(=O)N2Cc1ccco1 ZINC000004770483 210274350 /nfs/dbraw/zinc/27/43/50/210274350.db2.gz NGQBUEJDJHEHMY-QIIPPGSGSA-N -1 0 327.336 2.605 50 0 EFAARM CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000004760085 210272940 /nfs/dbraw/zinc/27/29/40/210272940.db2.gz FBVSXKMMQOZUNU-LLVKDONJSA-N -1 0 346.424 2.659 50 0 EFAARM O=C([O-])c1ccccc1CC(=O)Nc1ccnn1Cc1ccccc1 ZINC000071284967 304268489 /nfs/dbraw/zinc/26/84/89/304268489.db2.gz OOEFUTFEDADCSU-UHFFFAOYSA-N -1 0 335.363 2.811 50 0 EFAARM CC[N@@H+]1CCC[C@H]1CNC(=O)c1c([O-])c(Cl)cc(Cl)c1[O-] ZINC000025757268 285287533 /nfs/dbraw/zinc/28/75/33/285287533.db2.gz DPQOMEPZWBXAMA-QMMMGPOBSA-N -1 0 333.215 2.619 50 0 in-vitro EFAARM O=C([O-])c1c(F)c(Br)ccc1I ZINC000038986157 257844565 /nfs/dbraw/zinc/84/45/65/257844565.db2.gz KKBOVNFQMMIFRV-UHFFFAOYSA-N -1 0 344.905 2.891 50 0 EFAARM O=C(C=Cc1ccccc1)Nc1nc2c(s1)C(=O)C[C@H](C(=O)[O-])C2 ZINC000299777629 258087500 /nfs/dbraw/zinc/08/75/00/258087500.db2.gz OWAQKPTYENFFEV-XUIVZRPNSA-N -1 0 342.376 2.625 50 0 EFAARM CC1=CC[C@@H]2CN(C(=O)c3cn(C(C)C)cc(C(=O)[O-])c3=O)C[C@@H]2C1 ZINC000299777496 258087939 /nfs/dbraw/zinc/08/79/39/258087939.db2.gz KERZJGAGIPUTNX-KGLIPLIRSA-N -1 0 344.411 2.556 50 0 EFAARM Cc1cccc(C(=O)Nc2nc3c(s2)C(=O)C[C@@H](C(=O)[O-])C3)c1C ZINC000299778282 258088276 /nfs/dbraw/zinc/08/82/76/258088276.db2.gz GHETWOURWLBGGZ-JTQLQIEISA-N -1 0 344.392 2.842 50 0 EFAARM O=C([O-])C[C@]1(c2ccccc2F)CC(=O)N(C2CCCCC2)C1=O ZINC000299784539 258091957 /nfs/dbraw/zinc/09/19/57/258091957.db2.gz XVWRMMCREGGKBB-SFHVURJKSA-N -1 0 333.359 2.630 50 0 EFAARM O=C(CC1CCCCC1)Nc1nc2c(s1)C(=O)C[C@H](C(=O)[O-])C2 ZINC000299791641 258097500 /nfs/dbraw/zinc/09/75/00/258097500.db2.gz HEBKEOPPCVHFBQ-SNVBAGLBSA-N -1 0 336.413 2.882 50 0 EFAARM COc1ccc(C[C@]2(CCC(=O)[O-])CCC(=O)N2)c2ccccc12 ZINC000299799049 258102930 /nfs/dbraw/zinc/10/29/30/258102930.db2.gz QGGOSQSFGDVKHX-LJQANCHMSA-N -1 0 327.380 2.905 50 0 EFAARM O=C([O-])c1nc[nH]c1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000299765162 258080435 /nfs/dbraw/zinc/08/04/35/258080435.db2.gz JJFBYTBBDQUNPD-LBPRGKRZSA-N -1 0 341.367 2.674 50 0 EFAARM O=C([O-])c1nn(-c2ccc(Br)cc2)c(=O)c2ccccc21 ZINC000062591962 304284434 /nfs/dbraw/zinc/28/44/34/304284434.db2.gz MEBRSKFIQOWMEW-UHFFFAOYSA-N -1 0 345.152 2.846 50 0 EFAARM COC(=O)c1cc(C)sc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000004902109 291999205 /nfs/dbraw/zinc/99/92/05/291999205.db2.gz PCPHGFITLOYTLU-ZJUUUORDSA-N -1 0 325.386 2.673 50 0 EFAARM Cc1cnc(C)c(N2CCC(Oc3cccc(F)c3)(C(=O)[O-])CC2)n1 ZINC000082096420 132818521 /nfs/dbraw/zinc/81/85/21/132818521.db2.gz MZAZCSALMKPUNA-UHFFFAOYSA-N -1 0 345.374 2.735 50 0 EFAARM COC(=O)c1sccc1NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000000070084 292042884 /nfs/dbraw/zinc/04/28/84/292042884.db2.gz KEWKOHHMZAYKDK-WDEREUQCSA-N -1 0 337.397 2.920 50 0 EFAARM Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)Nc1ccc(C(=O)[O-])cc1)C2 ZINC000010435214 292307351 /nfs/dbraw/zinc/30/73/51/292307351.db2.gz DETJWDCEVYCTRA-LJQANCHMSA-N -1 0 339.347 2.804 50 0 EFAARM CC[C@@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)[O-] ZINC000000351515 286794981 /nfs/dbraw/zinc/79/49/81/286794981.db2.gz NMVOTSMEGVSCEK-IAQYHMDHSA-N -1 0 344.367 2.761 50 0 EFAARM CC(=O)c1ccc2c(c1O)[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)O2 ZINC000217749242 278251056 /nfs/dbraw/zinc/25/10/56/278251056.db2.gz LSXZZQZMFNTSNG-ZDUSSCGKSA-N -1 0 326.304 2.734 50 0 biogenic EFAARM CC(C)(C)n1ncc2c1NC(=O)C[C@H]2c1ccccc1OCC(=O)[O-] ZINC000049548722 278586278 /nfs/dbraw/zinc/58/62/78/278586278.db2.gz ULSRKVYLKWJQKR-LBPRGKRZSA-N -1 0 343.383 2.576 50 0 EFAARM COc1cc(OC)c(CN2CCO[C@@H]3CCCC[C@H]32)c(C(=O)[O-])c1 ZINC000097632056 295005719 /nfs/dbraw/zinc/00/57/19/295005719.db2.gz RZYJQDWCNMLQIO-HZPDHXFCSA-N -1 0 335.400 2.545 50 0 EFAARM COc1ccc2[nH]c3c(nc([O-])n(-c4ccccc4OC)c3=O)c2c1 ZINC000008994840 295255643 /nfs/dbraw/zinc/25/56/43/295255643.db2.gz PNWAXCAEJJVYEQ-UHFFFAOYSA-N -1 0 337.335 2.590 50 0 biogenic EFAARM COc1cccc(CN2CCC(F)(F)CC2)c1O[C@H](C)C(=O)[O-] ZINC000216246748 295297413 /nfs/dbraw/zinc/29/74/13/295297413.db2.gz WIFNVPIRUKNOGX-LLVKDONJSA-N -1 0 329.343 2.778 50 0 EFAARM C[C@@]12C[C@@H](c3ccccc3O1)[C@H](C(=O)[O-])C(=O)N2Cc1ccco1 ZINC000004770481 297943142 /nfs/dbraw/zinc/94/31/42/297943142.db2.gz NGQBUEJDJHEHMY-YEWWUXTCSA-N -1 0 327.336 2.605 50 0 EFAARM Cc1cc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)n(-c2ccc(F)cc2)n1 ZINC000071282269 301361250 /nfs/dbraw/zinc/36/12/50/301361250.db2.gz LDRHQBGQSUYDAY-KGLIPLIRSA-N -1 0 331.347 2.615 50 0 EFAARM Cc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])C[C@@H]2C)cc1 ZINC000239425695 301628254 /nfs/dbraw/zinc/62/82/54/301628254.db2.gz VAHKKTOMJPBURV-CGTJXYLNSA-N -1 0 344.455 2.923 50 0 EFAARM Cc1cccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CCC4)n1 ZINC000100613812 302004092 /nfs/dbraw/zinc/00/40/92/302004092.db2.gz CYZRFSZXRLCZAT-UHFFFAOYSA-N -1 0 335.363 2.609 50 0 EFAARM Cc1cnc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CCC4)s1 ZINC000001296851 302362598 /nfs/dbraw/zinc/36/25/98/302362598.db2.gz FAFXCXDUVJXMIP-UHFFFAOYSA-N -1 0 341.392 2.671 50 0 EFAARM Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(O)c(C(=O)[O-])c1 ZINC000004476940 302548442 /nfs/dbraw/zinc/54/84/42/302548442.db2.gz ITNJMCQEWMWZLB-UHFFFAOYSA-N -1 0 336.347 2.920 50 0 EFAARM Cn1cc(-c2ncc(C(F)(F)F)cc2Cl)cc(C(=O)[O-])c1=O ZINC000261494965 302903623 /nfs/dbraw/zinc/90/36/23/302903623.db2.gz YJMNPCRWJLILIC-UHFFFAOYSA-N -1 0 332.665 2.818 50 0 EFAARM O=C(NC1CCCCC1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100331722 303741942 /nfs/dbraw/zinc/74/19/42/303741942.db2.gz QGNPNZOLQFFEHZ-UHFFFAOYSA-N -1 0 326.396 2.716 50 0 EFAARM CCOC(=O)Nc1sc([N-]S(=O)(=O)c2ccccc2)nc1C ZINC000003893896 462626623 /nfs/dbraw/zinc/62/66/23/462626623.db2.gz LSYKIFSNFVNRSG-UHFFFAOYSA-N -1 0 341.414 2.821 50 0 EFAARM Cc1nn(C)c(C)c1CCC(=O)N[C@H](C(=O)[O-])c1ccc(Cl)cc1 ZINC000095497382 473213839 /nfs/dbraw/zinc/21/38/39/473213839.db2.gz WXLUVEIDNDYERN-INIZCTEOSA-N -1 0 349.818 2.565 50 0 EFAARM Cc1ccc(-c2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])[nH]n2)cc1 ZINC000095501078 473215076 /nfs/dbraw/zinc/21/50/76/473215076.db2.gz OGGACTPAJPWRTA-SFHVURJKSA-N -1 0 349.390 2.811 50 0 EFAARM Cc1ccc2nc(C(=O)N[C@H](C(=O)[O-])c3ccc(Cl)cc3)cn2c1 ZINC000095512399 473217937 /nfs/dbraw/zinc/21/79/37/473217937.db2.gz BBSJQYJXUNKJLM-HNNXBMFYSA-N -1 0 343.770 2.852 50 0 EFAARM O=C([O-])c1cccc(N2CCC([C@@H](O)Cc3ccccc3)CC2)n1 ZINC000095518800 473218638 /nfs/dbraw/zinc/21/86/38/473218638.db2.gz GBOCWZMBTJASBN-KRWDZBQOSA-N -1 0 326.396 2.600 50 0 EFAARM O=C([O-])c1cccc(N2CCC([C@H](O)Cc3ccccc3)CC2)n1 ZINC000095518801 473218969 /nfs/dbraw/zinc/21/89/69/473218969.db2.gz GBOCWZMBTJASBN-QGZVFWFLSA-N -1 0 326.396 2.600 50 0 EFAARM O=C([O-])c1nnn(-c2cccc(F)c2)c1-c1ccc2c(c1)OCO2 ZINC000082237893 473299312 /nfs/dbraw/zinc/29/93/12/473299312.db2.gz DXQGSQLHJXZDBZ-UHFFFAOYSA-N -1 0 327.271 2.500 50 0 EFAARM Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cnn([C@@H]2CCOC2)c1 ZINC000096123266 473307730 /nfs/dbraw/zinc/30/77/30/473307730.db2.gz SEMIGGUNRXSKKM-GFCCVEGCSA-N -1 0 341.820 2.607 50 0 EFAARM O=S(=O)([N-]c1cnn([C@@H]2CCOC2)c1)c1ccc2c(c1)CCCC2 ZINC000096123278 473308617 /nfs/dbraw/zinc/30/86/17/473308617.db2.gz NKRSQBWIMMVSQN-MRXNPFEDSA-N -1 0 347.440 2.524 50 0 EFAARM Cc1nn(C)c2nc([N-]c3c(C)n(C)nc3N3CCCC3)sc12 ZINC000096138463 473311125 /nfs/dbraw/zinc/31/11/25/473311125.db2.gz AJKWTMIXXDKUGZ-UHFFFAOYSA-N -1 0 331.449 2.724 50 0 EFAARM COc1ccccc1N1CCN(c2cccc(C(=O)[O-])n2)CC1(C)C ZINC000096137845 473311468 /nfs/dbraw/zinc/31/14/68/473311468.db2.gz CKAONTCFDVZHBP-UHFFFAOYSA-N -1 0 341.411 2.894 50 0 EFAARM CN(Cc1nc(-c2ccccn2)no1)c1ncc(C(=O)[O-])cc1Cl ZINC000096137757 473311785 /nfs/dbraw/zinc/31/17/85/473311785.db2.gz KQPRYZDYIKIIBO-UHFFFAOYSA-N -1 0 345.746 2.515 50 0 EFAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 ZINC000000074544 471319892 /nfs/dbraw/zinc/31/98/92/471319892.db2.gz SMDXYZASGOAWSA-UHFFFAOYSA-N -1 0 329.736 2.978 50 0 EFAARM O=C([O-])c1ccccc1S[C@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000000084342 471321115 /nfs/dbraw/zinc/32/11/15/471321115.db2.gz FPQBGNKSJQDCDX-HNNXBMFYSA-N -1 0 341.388 2.805 50 0 EFAARM O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000000108839 471324480 /nfs/dbraw/zinc/32/44/80/471324480.db2.gz BZPQIBLRPSZJIK-CQSZACIVSA-N -1 0 345.351 2.948 50 0 EFAARM CCOc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccccc2)cc1 ZINC000000106281 471324646 /nfs/dbraw/zinc/32/46/46/471324646.db2.gz RMFZVRISNYWBNL-MRXNPFEDSA-N -1 0 349.408 2.580 50 0 EFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccccc2F)cc1OC ZINC000000116763 471325273 /nfs/dbraw/zinc/32/52/73/471325273.db2.gz GFWREHQIMVQCLQ-AWEZNQCLSA-N -1 0 347.342 2.789 50 0 EFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000000116276 471325628 /nfs/dbraw/zinc/32/56/28/471325628.db2.gz CPGKXRAQZQULSF-UHFFFAOYSA-N -1 0 331.802 2.989 50 0 EFAARM Cc1cc(N2CCOCC2)nc(S[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC000000128042 471326266 /nfs/dbraw/zinc/32/62/66/471326266.db2.gz RHRSBTVNCCOGDJ-OAHLLOKOSA-N -1 0 345.424 2.540 50 0 EFAARM O=C([O-])c1cccc(NC2=C(Cl)C(=O)N(C3CCCCC3)C2=O)c1 ZINC000000122077 471326477 /nfs/dbraw/zinc/32/64/77/471326477.db2.gz ZKGWSPRYHIXDEH-UHFFFAOYSA-N -1 0 348.786 2.949 50 0 EFAARM CC(C)=CC(=O)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000000145681 471328030 /nfs/dbraw/zinc/32/80/30/471328030.db2.gz JCDCQBVBLOEDRQ-UHFFFAOYSA-N -1 0 349.412 2.997 50 0 EFAARM CCOC(=O)c1cc(NC(=O)CCC(=O)[O-])ccc1N1CCCCC1 ZINC000000146437 471328347 /nfs/dbraw/zinc/32/83/47/471328347.db2.gz MDPQIEURFOJCMT-UHFFFAOYSA-N -1 0 348.399 2.657 50 0 EFAARM CC(C)=CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000145679 471328400 /nfs/dbraw/zinc/32/84/00/471328400.db2.gz YHNBMUPRPABQCK-UHFFFAOYSA-N -1 0 337.426 2.849 50 0 EFAARM CN1C(=O)c2nc3cc(C(C)(C)C)[n-]n3c(=O)c2[C@H]1c1ccccc1 ZINC000000155000 471329021 /nfs/dbraw/zinc/32/90/21/471329021.db2.gz ZUGNGRNMDDXGSV-MRXNPFEDSA-N -1 0 336.395 2.907 50 0 EFAARM Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000000179567 471331320 /nfs/dbraw/zinc/33/13/20/471331320.db2.gz FQRAZNKOTFPXST-UHFFFAOYSA-N -1 0 327.203 2.953 50 0 EFAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000000205079 471334743 /nfs/dbraw/zinc/33/47/43/471334743.db2.gz FMZQRXKMUFIYCN-JKSUJKDBSA-N -1 0 327.384 2.761 50 0 EFAARM COc1cc(NC(=O)COc2cccc(C)c2)c(C(=O)[O-])cc1OC ZINC000000237522 471338839 /nfs/dbraw/zinc/33/88/39/471338839.db2.gz VEBGIFDKNOHANY-UHFFFAOYSA-N -1 0 345.351 2.728 50 0 biogenic EFAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000000255546 471341100 /nfs/dbraw/zinc/34/11/00/471341100.db2.gz WNYKCRPUNXMPSY-UHFFFAOYSA-N -1 0 335.381 2.673 50 0 EFAARM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccccc1F ZINC000000310105 471345739 /nfs/dbraw/zinc/34/57/39/471345739.db2.gz AQVOQVZWBGFMRW-UHFFFAOYSA-N -1 0 332.356 2.959 50 0 EFAARM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)C=Cc1ccco1 ZINC000000309045 471345818 /nfs/dbraw/zinc/34/58/18/471345818.db2.gz VRTGEWBBKXDKRF-VOTSOKGWSA-N -1 0 330.365 2.813 50 0 EFAARM Cc1ccc(S(=O)(=O)N(CCC(=O)[O-])Cc2ccccc2)cc1 ZINC000000323616 471347848 /nfs/dbraw/zinc/34/78/48/471347848.db2.gz FNQFFQLKZFPDBL-UHFFFAOYSA-N -1 0 333.409 2.661 50 0 EFAARM O=C([O-])[C@@H](CCSc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000000330304 471348697 /nfs/dbraw/zinc/34/86/97/471348697.db2.gz GFFKHQSBGGYCRF-OAHLLOKOSA-N -1 0 341.388 2.918 50 0 EFAARM COC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000000369078 471351422 /nfs/dbraw/zinc/35/14/22/471351422.db2.gz JNOPBKWZCJZEDV-URBCHYCLSA-N -1 0 349.408 2.613 50 0 EFAARM O=c1c2cc(N3CCOCC3)ccc2[n-]c(=S)n1Cc1ccco1 ZINC000000425104 471357445 /nfs/dbraw/zinc/35/74/45/471357445.db2.gz PAHGYLYQPYZBJN-UHFFFAOYSA-N -1 0 343.408 2.537 50 0 EFAARM CCCn1c(=O)c2ccc(C(=O)NCc3ccco3)cc2[n-]c1=S ZINC000000425381 471358655 /nfs/dbraw/zinc/35/86/55/471358655.db2.gz PICFYWUXMWUXFQ-UHFFFAOYSA-N -1 0 343.408 2.618 50 0 EFAARM C[C@H]1CCC[C@@H](C(=O)[O-])N1C(=O)CCSC(=O)c1ccccc1 ZINC000000478619 471365249 /nfs/dbraw/zinc/36/52/49/471365249.db2.gz WBDJVKOBQMEZTP-JSGCOSHPSA-N -1 0 335.425 2.804 50 0 EFAARM COc1ccc(-c2cc(=O)oc3cc(OCC(=O)[O-])ccc32)cc1 ZINC000000486314 471365621 /nfs/dbraw/zinc/36/56/21/471365621.db2.gz NUTMHEAEZNXRSY-UHFFFAOYSA-N -1 0 326.304 2.932 50 0 biogenic EFAARM O=c1c(Cc2cc(Cl)cc(Cl)c2[O-])c(O)nc2n1CCS2 ZINC000000501570 471366211 /nfs/dbraw/zinc/36/62/11/471366211.db2.gz NNUKFLWIRXLGSI-UHFFFAOYSA-N -1 0 345.207 2.658 50 0 EFAARM COc1cc(/C=C2/NC(=O)[N-]C2=O)ccc1OCc1cccc(F)c1 ZINC000000573872 471372795 /nfs/dbraw/zinc/37/27/95/471372795.db2.gz FTYDDXPRPIXEMD-RIYZIHGNSA-N -1 0 342.326 2.594 50 0 EFAARM O=S(=O)([N-]C(=S)NC1CCCCC1)c1ccc(Cl)cc1 ZINC000000620600 471374285 /nfs/dbraw/zinc/37/42/85/471374285.db2.gz QEYZDTFILPJYQT-UHFFFAOYSA-N -1 0 332.878 2.826 50 0 EFAARM CCc1nnc([N-]S(=O)(=O)c2ccc(Br)cc2)s1 ZINC000000795804 471375733 /nfs/dbraw/zinc/37/57/33/471375733.db2.gz IVAMUDKGCKHIJH-UHFFFAOYSA-N -1 0 348.247 2.664 50 0 EFAARM CC(C)(C)NC(=O)C(=C([O-])c1ccccc1)n1cc(Cl)ccc1=O ZINC000000819449 471376978 /nfs/dbraw/zinc/37/69/78/471376978.db2.gz ANAROAUPQHACTR-OAHLLOKOSA-N -1 0 346.814 2.840 50 0 EFAARM COc1ccc(NC(=O)c2cccc(NC(=O)CCC(=O)[O-])c2)cc1 ZINC000000993275 471378440 /nfs/dbraw/zinc/37/84/40/471378440.db2.gz AINFSENAUZPMES-UHFFFAOYSA-N -1 0 342.351 2.751 50 0 EFAARM O=C([O-])CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001193604 471382031 /nfs/dbraw/zinc/38/20/31/471382031.db2.gz JPVGYZQZTZCLRZ-UHFFFAOYSA-N -1 0 339.800 2.616 50 0 EFAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(N)=O)ccc2Cl)c1C ZINC000001116575 471382800 /nfs/dbraw/zinc/38/28/00/471382800.db2.gz HBZHSWKBMDLKCP-UHFFFAOYSA-N -1 0 338.816 2.857 50 0 EFAARM NC(=NC(=O)OCc1ccccc1)[N-]C(=O)OCc1ccccc1 ZINC000001566222 471393059 /nfs/dbraw/zinc/39/30/59/471393059.db2.gz WUPOXNUSSFCSGV-UHFFFAOYSA-N -1 0 327.340 2.774 50 0 EFAARM Nc1nc(SCc2cc(=O)[nH][nH]2)nc2sc3c(c21)CCCC3 ZINC000001740646 471395948 /nfs/dbraw/zinc/39/59/48/471395948.db2.gz GRBLJUNJLKBAAI-UHFFFAOYSA-N -1 0 333.442 2.873 50 0 EFAARM CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)[O-])nc(N)c23)CO1 ZINC000001901479 471399677 /nfs/dbraw/zinc/39/96/77/471399677.db2.gz YWFHEDAWDRNTAM-AWEZNQCLSA-N -1 0 339.442 2.692 50 0 EFAARM O=C([O-])c1[nH]c2ccccc2c1NS(=O)(=O)Cc1ccccc1 ZINC000002330305 471405683 /nfs/dbraw/zinc/40/56/83/471405683.db2.gz FJKITZUHDWDXNT-UHFFFAOYSA-N -1 0 330.365 2.808 50 0 EFAARM COc1ccccc1CNc1ccc(N2CCOCC2)c(C(=O)[O-])c1 ZINC000002345079 471406517 /nfs/dbraw/zinc/40/65/17/471406517.db2.gz ZYZFOKYZKVSGEH-UHFFFAOYSA-N -1 0 342.395 2.842 50 0 EFAARM CCCCCOC(=O)c1[nH]c2c(c1C)C([O-])=C(C(=O)OC)[C@@H](C)C2 ZINC000002499375 471410039 /nfs/dbraw/zinc/41/00/39/471410039.db2.gz CHOHAKUYRSDKKL-GWCFXTLKSA-N -1 0 335.400 2.834 50 0 EFAARM Fc1ccc(-n2c(Cn3nnc4ccccc43)n[n-]c2=S)cc1 ZINC000002523220 471410042 /nfs/dbraw/zinc/41/00/42/471410042.db2.gz WJXOIIYKGKPFKN-UHFFFAOYSA-N -1 0 326.360 2.862 50 0 EFAARM CC(C)(C)OC(=O)N[C@H](CCC(=O)OC1CCCCC1)C(=O)[O-] ZINC000002555005 471411336 /nfs/dbraw/zinc/41/13/36/471411336.db2.gz FDNMLANBNJDIRG-GFCCVEGCSA-N -1 0 329.393 2.620 50 0 EFAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C)cc1OC ZINC000002585842 471411876 /nfs/dbraw/zinc/41/18/76/471411876.db2.gz NOEVPXYRCVCOIV-LLVKDONJSA-N -1 0 325.361 2.744 50 0 EFAARM Cc1ccc(S(=O)(=O)c2[n-]c(=NN(C)C)sc2Cl)cc1 ZINC000002709077 471417352 /nfs/dbraw/zinc/41/73/52/471417352.db2.gz QGDQVWDKYHBORS-UHFFFAOYSA-N -1 0 331.850 2.826 50 0 EFAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000002746704 471419128 /nfs/dbraw/zinc/41/91/28/471419128.db2.gz FOOQUYYIEOARTM-JKSUJKDBSA-N -1 0 348.830 2.656 50 0 EFAARM O=S(=O)([N-]c1cnn(Cc2ccccc2F)c1)c1cccs1 ZINC000002778610 471420456 /nfs/dbraw/zinc/42/04/56/471420456.db2.gz HHFARLYNLHOQCJ-UHFFFAOYSA-N -1 0 337.401 2.933 50 0 EFAARM COC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000002767014 471420773 /nfs/dbraw/zinc/42/07/73/471420773.db2.gz DDWOQNVDSJRUGO-QWRGUYRKSA-N -1 0 339.413 2.981 50 0 EFAARM COc1ccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)cc1OC ZINC000002858270 471424626 /nfs/dbraw/zinc/42/46/26/471424626.db2.gz QDNFFBPSNUZTMZ-UHFFFAOYSA-N -1 0 330.340 2.724 50 0 EFAARM O=C1N(C2CCCCC2)C(c2ccccc2)=N[C@@]1([O-])C(F)(F)F ZINC000002863610 471425445 /nfs/dbraw/zinc/42/54/45/471425445.db2.gz XPJYLUNTZKILMD-HNNXBMFYSA-N -1 0 326.318 2.859 50 0 EFAARM C[C@@H]1CCC[C@@H](NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)[C@@H]1C ZINC000003912035 471457452 /nfs/dbraw/zinc/45/74/52/471457452.db2.gz MVQVTVYBAZRSMY-YRGRVCCFSA-N -1 0 345.468 3.000 50 0 EFAARM O=C([O-])c1cc(NCc2ccc(F)cc2)ccc1N1CCOCC1 ZINC000004385833 471463926 /nfs/dbraw/zinc/46/39/26/471463926.db2.gz AKJUBTFFJQNMQZ-UHFFFAOYSA-N -1 0 330.359 2.973 50 0 EFAARM COc1cccc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)c1 ZINC000004705126 471472589 /nfs/dbraw/zinc/47/25/89/471472589.db2.gz GOIZOJQOPRTFRX-UHFFFAOYSA-N -1 0 342.395 2.842 50 0 EFAARM O=c1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)[n-]1 ZINC000005095402 471486911 /nfs/dbraw/zinc/48/69/11/471486911.db2.gz URQDDMZNSZEMIC-UHFFFAOYSA-N -1 0 349.394 2.884 50 0 EFAARM Cc1cc([N-]S(=O)(=O)c2cccs2)ccc1N1CCCC1=O ZINC000005329311 471499895 /nfs/dbraw/zinc/49/98/95/471499895.db2.gz RZVNHQVDRRRZQB-UHFFFAOYSA-N -1 0 336.438 2.984 50 0 EFAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=S)NC1CCCCC1 ZINC000005731708 471518401 /nfs/dbraw/zinc/51/84/01/471518401.db2.gz UALRNLKZKLAVGU-MRXNPFEDSA-N -1 0 345.468 2.960 50 0 EFAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=S)NC1CCCCC1 ZINC000005731707 471519182 /nfs/dbraw/zinc/51/91/82/471519182.db2.gz UALRNLKZKLAVGU-INIZCTEOSA-N -1 0 345.468 2.960 50 0 EFAARM O=C([O-])C[C@@H](c1ccc2c(c1)OCO2)N1Cc2ccccc2C1=O ZINC000005770617 471520348 /nfs/dbraw/zinc/52/03/48/471520348.db2.gz IOUSJWHTZGQZII-AWEZNQCLSA-N -1 0 325.320 2.587 50 0 EFAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000005936509 471527440 /nfs/dbraw/zinc/52/74/40/471527440.db2.gz BILLQYVXECCAGP-HOTGVXAUSA-N -1 0 348.830 2.656 50 0 EFAARM COc1cc(=O)c2c([O-])c(OC)c(-c3ccc(O)c(OC)c3)oc-2c1 ZINC000005998752 471529076 /nfs/dbraw/zinc/52/90/76/471529076.db2.gz KQFUXLQBMQGNRT-UHFFFAOYSA-N -1 0 344.319 2.897 50 0 biogenic,in-vitro EFAARM CCn1c2ccccc2c2cc(NC(=O)COCC(=O)[O-])ccc21 ZINC000006247313 471536386 /nfs/dbraw/zinc/53/63/86/471536386.db2.gz BCDTTXBQXYGBDC-UHFFFAOYSA-N -1 0 326.352 2.854 50 0 EFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c1 ZINC000006316570 471540606 /nfs/dbraw/zinc/54/06/06/471540606.db2.gz NLLHBLNBFNWKCM-UHFFFAOYSA-N -1 0 325.361 2.952 50 0 EFAARM COc1cc2c(c3oc(=O)c(CC(=O)[O-])c(C)c13)CCC(C)(C)O2 ZINC000006645443 471555815 /nfs/dbraw/zinc/55/58/15/471555815.db2.gz KGWIXVRXHXNYCV-UHFFFAOYSA-N -1 0 332.352 2.841 50 0 biogenic EFAARM COc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2OC)c(C)c1 ZINC000006699251 471561107 /nfs/dbraw/zinc/56/11/07/471561107.db2.gz UOZACQWHGXICQU-UHFFFAOYSA-N -1 0 337.397 2.822 50 0 EFAARM CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)CCC(=O)[O-] ZINC000006703235 471561788 /nfs/dbraw/zinc/56/17/88/471561788.db2.gz QZVAVEILBJHFOB-UHFFFAOYSA-N -1 0 340.379 2.762 50 0 EFAARM CCOC(=O)c1ccsc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000006742435 471564221 /nfs/dbraw/zinc/56/42/21/471564221.db2.gz ZYTSDKBXFBEUHB-NXEZZACHSA-N -1 0 325.386 2.754 50 0 EFAARM CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc(C)cc2)nc1C ZINC000006758017 471566852 /nfs/dbraw/zinc/56/68/52/471566852.db2.gz CWOUHAADHGAMFX-UHFFFAOYSA-N -1 0 340.426 2.737 50 0 EFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000006916789 471578654 /nfs/dbraw/zinc/57/86/54/471578654.db2.gz JNZQSVUSOLJYDI-UHFFFAOYSA-N -1 0 333.337 2.614 50 0 EFAARM C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000007385840 471611106 /nfs/dbraw/zinc/61/11/06/471611106.db2.gz WJYQZKBWAHATIR-JTQLQIEISA-N -1 0 335.356 2.664 50 0 EFAARM C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000007385838 471611131 /nfs/dbraw/zinc/61/11/31/471611131.db2.gz WJYQZKBWAHATIR-SNVBAGLBSA-N -1 0 335.356 2.664 50 0 EFAARM CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000012403821 471775072 /nfs/dbraw/zinc/77/50/72/471775072.db2.gz UDFDHFMNSUOURS-CVEARBPZSA-N -1 0 346.427 2.998 50 0 EFAARM COc1ccc(OC)c(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])c1 ZINC000013323787 471825794 /nfs/dbraw/zinc/82/57/94/471825794.db2.gz PDQYPIKBEBBHDT-VVUBSENTSA-N -1 0 333.384 2.779 50 0 EFAARM Cn1c2ccc(CNc3cc(C(=O)[O-])ccc3Cl)cc2n(C)c1=O ZINC000016577223 471941449 /nfs/dbraw/zinc/94/14/49/471941449.db2.gz YRCPZUNLDGNAPS-UHFFFAOYSA-N -1 0 345.786 2.841 50 0 EFAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)cs1 ZINC000016648493 471946684 /nfs/dbraw/zinc/94/66/84/471946684.db2.gz ILMWXKYGXWNMPV-UHFFFAOYSA-N -1 0 330.818 2.562 50 0 EFAARM NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)CCCC(=O)[O-] ZINC000017072097 471956231 /nfs/dbraw/zinc/95/62/31/471956231.db2.gz FVXXZQSVXDPYJW-UHFFFAOYSA-N -1 0 346.408 2.631 50 0 EFAARM CCOc1ccc(NC(=O)Cc2c([O-])c3ccccc3[nH]c2=O)cc1 ZINC000018207755 471972210 /nfs/dbraw/zinc/97/22/10/471972210.db2.gz KWKSRBINUKPNIG-UHFFFAOYSA-N -1 0 338.363 2.814 50 0 EFAARM Cc1n[n-]c(SCC(=O)Nc2c(Cl)cccc2Cl)nc1=O ZINC000018227536 471973674 /nfs/dbraw/zinc/97/36/74/471973674.db2.gz OIQKULDCLJXHOP-UHFFFAOYSA-N -1 0 345.211 2.511 50 0 EFAARM O=C([O-])C1CCN(c2nccn3nc(-c4ccc(F)cc4)cc23)CC1 ZINC000033267956 471981903 /nfs/dbraw/zinc/98/19/03/471981903.db2.gz HBPKAPWPOYLULR-UHFFFAOYSA-N -1 0 340.358 2.836 50 0 EFAARM CC(C)=CCC/C(C)=C/CN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)[O-])[C@H]3C1=O ZINC000036025453 471998349 /nfs/dbraw/zinc/99/83/49/471998349.db2.gz QUOGRGMWDHAAQO-CTDNBJHFSA-N -1 0 331.412 2.546 50 0 EFAARM O=C([O-])c1cccc(Nc2nc3ccccc3c(NCCCO)n2)c1 ZINC000041150210 472048360 /nfs/dbraw/zinc/04/83/60/472048360.db2.gz KNKKKBNQAUVVDM-UHFFFAOYSA-N -1 0 338.367 2.866 50 0 biogenic EFAARM O=C([O-])c1cnn(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 ZINC000068199903 472148116 /nfs/dbraw/zinc/14/81/16/472148116.db2.gz FXHHASJVTYRJHH-UHFFFAOYSA-N -1 0 346.652 2.999 50 0 in-vivo EFAARM COc1ccccc1NC(=O)Cc1csc([N-]c2ncccn2)n1 ZINC000044227685 472290696 /nfs/dbraw/zinc/29/06/96/472290696.db2.gz IHZJTKBHRXPNAF-UHFFFAOYSA-N -1 0 341.396 2.867 50 0 EFAARM CN(C)C(=O)CCc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000030766048 472347968 /nfs/dbraw/zinc/34/79/68/472347968.db2.gz LIXNGRUYIYBIDF-HOTGVXAUSA-N -1 0 346.427 2.537 50 0 EFAARM CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1C ZINC000032601569 472444905 /nfs/dbraw/zinc/44/49/05/472444905.db2.gz JQZAEHFZZLWYKA-UHFFFAOYSA-N -1 0 335.381 2.893 50 0 EFAARM COc1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])ccc1Cl ZINC000032601555 472445350 /nfs/dbraw/zinc/44/53/50/472445350.db2.gz VBRQXQJMKQTOKO-UHFFFAOYSA-N -1 0 341.772 2.848 50 0 EFAARM Cc1nc(-c2cccnc2N(C)C2CCCCC2)n(CC(=O)[O-])n1 ZINC000097243988 472487255 /nfs/dbraw/zinc/48/72/55/472487255.db2.gz IZTGLLGLDSCCNN-UHFFFAOYSA-N -1 0 329.404 2.502 50 0 EFAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(NC(=O)C2CCC2)c1 ZINC000071286334 472547417 /nfs/dbraw/zinc/54/74/17/472547417.db2.gz XDBHYJYVQZIYPE-KGLIPLIRSA-N -1 0 330.384 2.721 50 0 EFAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000071286178 472547597 /nfs/dbraw/zinc/54/75/97/472547597.db2.gz RWQPZYYBKAMRQZ-HUUCEWRRSA-N -1 0 344.411 2.654 50 0 EFAARM CNC(=O)c1cc(NC(=O)Cc2ccccc2C(=O)[O-])ccc1Cl ZINC000071286154 472548068 /nfs/dbraw/zinc/54/80/68/472548068.db2.gz CGCVGQJKWMTANE-UHFFFAOYSA-N -1 0 346.770 2.579 50 0 EFAARM O=C([O-])c1ccccc1-c1nccn1Cc1nc2ccccc2c(=O)[nH]1 ZINC000071761964 472561869 /nfs/dbraw/zinc/56/18/69/472561869.db2.gz DNLRCKISMLVFFK-UHFFFAOYSA-N -1 0 346.346 2.533 50 0 EFAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-c2cccc(F)c2)c1 ZINC000071776482 472565085 /nfs/dbraw/zinc/56/50/85/472565085.db2.gz BRSXXPCPUNYUNY-UHFFFAOYSA-N -1 0 337.372 2.878 50 0 EFAARM O=c1[n-]c(NCCc2c[nH]c3ccccc23)nnc1Cc1ccccc1 ZINC000103858824 472648252 /nfs/dbraw/zinc/64/82/52/472648252.db2.gz WLOOXOVCWZRZER-UHFFFAOYSA-N -1 0 345.406 2.892 50 0 EFAARM CCc1nnc2c(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cccn12 ZINC000062592014 472742667 /nfs/dbraw/zinc/74/26/67/472742667.db2.gz KKIKOPJNDUAGEM-UHFFFAOYSA-N -1 0 330.413 2.709 50 0 EFAARM CCC[C@@H]1CN(C(=O)c2[nH]c(-c3ccccc3)nc2C)C[C@H]1C(=O)[O-] ZINC000091713829 472797928 /nfs/dbraw/zinc/79/79/28/472797928.db2.gz ABDRTIWIYYWYHV-HUUCEWRRSA-N -1 0 341.411 2.958 50 0 EFAARM Cc1ccc(C(=O)[O-])nc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000063772330 472812143 /nfs/dbraw/zinc/81/21/43/472812143.db2.gz YHVVYVUMGPTCGW-UHFFFAOYSA-N -1 0 335.404 2.582 50 0 EFAARM CCc1nnc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cn21 ZINC000065199339 472907073 /nfs/dbraw/zinc/90/70/73/472907073.db2.gz UAQPQLSIUBYIKF-UHFFFAOYSA-N -1 0 336.804 2.746 50 0 EFAARM CCn1ccc(-c2nnc(SCC(=O)[O-])n2-c2cccc(C)c2)n1 ZINC000065370232 472927203 /nfs/dbraw/zinc/92/72/03/472927203.db2.gz XJHMIQUYIRUZIM-UHFFFAOYSA-N -1 0 343.412 2.636 50 0 EFAARM Cc1cc(-n2c(SCC(=O)[O-])nnc2-c2sccc2C)n(C)n1 ZINC000065397066 472932105 /nfs/dbraw/zinc/93/21/05/472932105.db2.gz CODWYZIGYRGAGT-UHFFFAOYSA-N -1 0 349.441 2.523 50 0 EFAARM Cc1ccnc(N2CCC(Oc3ccc(Cl)cc3)(C(=O)[O-])CC2)n1 ZINC000065394644 472932665 /nfs/dbraw/zinc/93/26/65/472932665.db2.gz DJYFCVBDCZJYCD-UHFFFAOYSA-N -1 0 347.802 2.941 50 0 EFAARM CCN(C(=O)c1ccccc1NCC(=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000065506089 472960526 /nfs/dbraw/zinc/96/05/26/472960526.db2.gz WZJUHCWLHHLBMY-ZDUSSCGKSA-N -1 0 334.416 2.603 50 0 EFAARM O=S(=O)([N-]c1cnc(N2CCCC2)nc1)c1ccccc1Cl ZINC000075162107 473143550 /nfs/dbraw/zinc/14/35/50/473143550.db2.gz KANSXBBABGIZOH-UHFFFAOYSA-N -1 0 338.820 2.531 50 0 EFAARM CSc1ccc([C@H](C(=O)[O-])N2CCN(C3CCCC3)C(=O)C2)cc1 ZINC000095372527 473192803 /nfs/dbraw/zinc/19/28/03/473192803.db2.gz VFYSMCJUAXTATR-QGZVFWFLSA-N -1 0 348.468 2.621 50 0 EFAARM CCC(=O)N1N=C(c2c([O-])cc(C)oc2=O)C[C@H]1c1ccccc1 ZINC000170625909 473569090 /nfs/dbraw/zinc/56/90/90/473569090.db2.gz CKSSCWHCMGMLHB-AWEZNQCLSA-N -1 0 326.352 2.742 50 0 EFAARM Cc1ccc2[nH]c(CCC(=O)NCc3ccc(C(=O)[O-])o3)nc2c1C ZINC000221338633 474160600 /nfs/dbraw/zinc/16/06/00/474160600.db2.gz DZVLPMJMOPPELH-UHFFFAOYSA-N -1 0 341.367 2.720 50 0 EFAARM CC[C@@H](C)[C@@H](NC(=O)Cc1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000223220696 474179616 /nfs/dbraw/zinc/17/96/16/474179616.db2.gz LTFVFKGDIZPNRH-NOZJJQNGSA-N -1 0 333.306 2.743 50 0 EFAARM CC[C@H](C)[C@H](NC(=O)Cc1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000223220642 474179632 /nfs/dbraw/zinc/17/96/32/474179632.db2.gz LTFVFKGDIZPNRH-ZANVPECISA-N -1 0 333.306 2.743 50 0 EFAARM Cc1nc(C)c(C(=O)[O-])c(C2CCN(C(=O)OC(C)(C)C)CC2)n1 ZINC000224150992 474195081 /nfs/dbraw/zinc/19/50/81/474195081.db2.gz LFJVNDKJOANBAS-UHFFFAOYSA-N -1 0 335.404 2.906 50 0 EFAARM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)C[C@H]1CCCO1 ZINC000380018628 476733337 /nfs/dbraw/zinc/73/33/37/476733337.db2.gz SXBDMXDLICQAIG-SECBINFHSA-N -1 0 342.189 2.963 50 0 EFAARM O=C([O-])c1cc(-c2ccc(C(=O)NC[C@@H]3CCOC3)cc2)ccc1O ZINC000426533637 477716084 /nfs/dbraw/zinc/71/60/84/477716084.db2.gz AMFKDZZPPCPNSV-LBPRGKRZSA-N -1 0 341.363 2.524 50 0 EFAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CCc3cnccn3)C2)cc1 ZINC000426548736 477719442 /nfs/dbraw/zinc/71/94/42/477719442.db2.gz GOPDHSCMNMVCRI-MRXNPFEDSA-N -1 0 339.395 2.514 50 0 EFAARM CCCCc1nc(CN2CCN(c3ccc(C(=O)[O-])cc3)CC2)c[nH]1 ZINC000534633595 478163578 /nfs/dbraw/zinc/16/35/78/478163578.db2.gz SABIAGANBCOFPU-UHFFFAOYSA-N -1 0 342.443 2.773 50 0 EFAARM CC(C)C[C@H]1COCCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000585134096 479295446 /nfs/dbraw/zinc/29/54/46/479295446.db2.gz DNBZYUUGTIGVQE-ZDUSSCGKSA-N -1 0 344.411 2.682 50 0 EFAARM Cc1c(NC(=O)[C@@H]2CCCCO2)cc(Br)cc1C(=O)[O-] ZINC000585134550 479295595 /nfs/dbraw/zinc/29/55/95/479295595.db2.gz YUROFFVGIKHJDP-LBPRGKRZSA-N -1 0 342.189 2.963 50 0 EFAARM C[C@@H]1C[C@H](C(=O)N[C@H](Cc2cccc3ccccc32)C(=O)[O-])CCO1 ZINC000585134033 479295824 /nfs/dbraw/zinc/29/58/24/479295824.db2.gz BDQVLXOSGUOSTN-MZMPZRCHSA-N -1 0 341.407 2.767 50 0 EFAARM Cc1nn(-c2ccc(F)cc2)c(C)c1[C@@H](NC(=O)C(C)C)C(=O)[O-] ZINC000585145987 479299951 /nfs/dbraw/zinc/29/99/51/479299951.db2.gz PWHAKUQUSQVYES-OAHLLOKOSA-N -1 0 333.363 2.526 50 0 EFAARM O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)c1ccc(C(F)(F)F)cc1 ZINC000585145901 479300063 /nfs/dbraw/zinc/30/00/63/479300063.db2.gz DTXBIRHENWIYDQ-CYBMUJFWSA-N -1 0 347.300 2.738 50 0 EFAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CSc2cccc(OC)c2)C1 ZINC000244866670 523699604 /nfs/dbraw/zinc/69/96/04/523699604.db2.gz WAJVDGJAKHNTBP-QGZVFWFLSA-N -1 0 337.441 2.891 50 0 EFAARM COc1ccc([C@@H](NC(=O)OCc2ccccc2)C(=O)[O-])c(OC)c1 ZINC000226769476 545562228 /nfs/dbraw/zinc/56/22/28/545562228.db2.gz XGQRBSUAFCJJJK-MRXNPFEDSA-N -1 0 345.351 2.756 50 0 EFAARM O=C([O-])[C@@H](NC(=O)N(CCc1ccccc1)Cc1ccco1)C1CC1 ZINC000670454813 547492678 /nfs/dbraw/zinc/49/26/78/547492678.db2.gz DBAWOTIQEANYOQ-KRWDZBQOSA-N -1 0 342.395 2.897 50 0 EFAARM C[C@@H](Oc1ccc(CN2CCOC(C)(C)C2)cc1Cl)C(=O)[O-] ZINC000670469557 547495243 /nfs/dbraw/zinc/49/52/43/547495243.db2.gz YJGYBTGJTPBOIT-LLVKDONJSA-N -1 0 327.808 2.803 50 0 EFAARM Cc1nc(C(C)(C)C)nc(NC[C@@H](C(=O)[O-])C2CCOCC2)c1C ZINC000685941576 550197536 /nfs/dbraw/zinc/19/75/36/550197536.db2.gz ZJRSODDMEIAFGF-CQSZACIVSA-N -1 0 335.448 2.930 50 0 EFAARM CC/C=C\C[C@H](O)[C@H](O)/C=C/[C@H](O)CCCCCCCC(=O)[O-] ZINC000035454825 574414302 /nfs/dbraw/zinc/41/43/02/574414302.db2.gz MKYUCBXUUSZMQB-HAOPIQBUSA-N -1 0 328.449 2.797 50 0 endogenous,in-man EFAARM Cc1ccc(CNC(=O)c2cc(O)cc(C(=O)[O-])c2)c2cccnc12 ZINC001772704415 1249290243 /nfs/dbraw/zinc/29/02/43/1249290243.db2.gz BBQDRKRWFNICLS-UHFFFAOYSA-N -1 0 336.347 2.877 50 0 EFAARM CC(C)c1ccc(OCCN(C)Cc2cnc(C(=O)[O-])cn2)cc1 ZINC001772709885 1249297190 /nfs/dbraw/zinc/29/71/90/1249297190.db2.gz NZTOWBJVFLTNCR-UHFFFAOYSA-N -1 0 329.400 2.809 50 0 EFAARM CC[C@H](C)[C@@H](NC(=O)CCn1ccc2cc(OC)ccc21)C(=O)[O-] ZINC000207894601 1249488621 /nfs/dbraw/zinc/48/86/21/1249488621.db2.gz SXNVCHDJRLCHSL-YVEFUNNKSA-N -1 0 332.400 2.656 50 0 EFAARM O=C(Nc1ccc(Oc2nn[nH]n2)cc1)c1cccc2ncccc21 ZINC000828176577 1267628758 /nfs/dbraw/zinc/62/87/58/1267628758.db2.gz VFHVMKHPVITGJT-UHFFFAOYSA-N -1 0 332.323 2.793 50 0 EFAARM COc1ccc2[nH]c(C(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)cc2c1 ZINC000952962700 1284920868 /nfs/dbraw/zinc/92/08/68/1284920868.db2.gz ITYJWTZJVIWHEI-HAQNSBGRSA-N -1 0 330.384 2.797 50 0 EFAARM Cc1cnc(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)cn1 ZINC000095386970 1292103125 /nfs/dbraw/zinc/10/31/25/1292103125.db2.gz JOTBPIAZPPEHPC-OAHLLOKOSA-N -1 0 325.368 2.503 50 0 EFAARM COc1c(C)cc([C@H](C(=O)[O-])N(C)Cc2nncn2C(C)C)cc1C ZINC001506406920 1405754400 /nfs/dbraw/zinc/75/44/00/1405754400.db2.gz PPUSRAQHEQYAIQ-MRXNPFEDSA-N -1 0 346.431 2.742 50 0 EFAARM COc1ccc(-c2onc(N[C@@H]3CCCC[C@H]3O)c2C(=O)[O-])cc1 ZINC001704311743 1417903961 /nfs/dbraw/zinc/90/39/61/1417903961.db2.gz BCMWDCMTZBYLHE-CHWSQXEVSA-N -1 0 332.356 2.764 50 0 EFAARM COc1cc(-c2onc(NCC[C@@H](C)CO)c2C(=O)[O-])ccc1F ZINC001704336906 1417910634 /nfs/dbraw/zinc/91/06/34/1417910634.db2.gz LQNVVZSRXNXRRM-SECBINFHSA-N -1 0 338.335 2.618 50 0 EFAARM O=C(c1ccccc1-c1nn[n-]n1)N(Cc1ccsc1)C1CC1 ZINC000096161974 1423355011 /nfs/dbraw/zinc/35/50/11/1423355011.db2.gz ARGHSMVLPMEDOE-UHFFFAOYSA-N -1 0 325.397 2.733 50 0 EFAARM CC1(C)C[C@@H](c2nccn2-c2ccc(Oc3nn[n-]n3)cc2)CCO1 ZINC000072149678 1423451563 /nfs/dbraw/zinc/45/15/63/1423451563.db2.gz LCASGQFWUBWAEO-LBPRGKRZSA-N -1 0 340.387 2.850 50 0 EFAARM Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)c1 ZINC000055107949 1423818575 /nfs/dbraw/zinc/81/85/75/1423818575.db2.gz XHFUQDJBXFQQPC-ZDUSSCGKSA-N -1 0 337.383 2.890 50 0 EFAARM Cc1cc(NCc2cccc(-c3nn[n-]n3)c2)nc(-c2cccnc2)n1 ZINC000065451704 1424381683 /nfs/dbraw/zinc/38/16/83/1424381683.db2.gz NHQYVQJZLIVLGY-UHFFFAOYSA-N -1 0 344.382 2.639 50 0 EFAARM O=C(Nc1nn[n-]n1)C1(Cc2nc3ccccc3s2)CCCC1 ZINC000079475455 1424772127 /nfs/dbraw/zinc/77/21/27/1424772127.db2.gz RNRKJMLHOCQFCO-UHFFFAOYSA-N -1 0 328.401 2.551 50 0 EFAARM COc1cccc(CNc2nnn[n-]2)c1OCc1ccc(F)cc1 ZINC000005019141 1427084748 /nfs/dbraw/zinc/08/47/48/1427084748.db2.gz DXONAMACXCAIFO-UHFFFAOYSA-N -1 0 329.335 2.539 50 0 EFAARM COc1cccc(CNc2nnn[n-]2)c1OCc1ccc(C)cc1 ZINC000004999769 1429951071 /nfs/dbraw/zinc/95/10/71/1429951071.db2.gz CQEFHNXAMYOZSD-UHFFFAOYSA-N -1 0 325.372 2.708 50 0 EFAARM COc1cccc(CNc2nnn[n-]2)c1OCc1ccccc1F ZINC000005019139 1442343399 /nfs/dbraw/zinc/34/33/99/1442343399.db2.gz SACBEMXNCPSFIV-UHFFFAOYSA-N -1 0 329.335 2.539 50 0 EFAARM CCN(CC)C(=O)c1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000012403808 201845156 /nfs/dbraw/zinc/84/51/56/201845156.db2.gz INJPEKRSUUKNGB-CVEARBPZSA-N -1 0 346.427 2.998 50 0 EFAARM CCc1c(C)sc(NC(=O)C[C@@H](C)CC(=O)[O-])c1C(=O)OC ZINC000017067026 201984120 /nfs/dbraw/zinc/98/41/20/201984120.db2.gz JJVNGDPCRYSJTO-MRVPVSSYSA-N -1 0 327.402 2.845 50 0 EFAARM O=C([O-])C1(Oc2ccccc2)CCN(C(=O)CCC(F)(F)F)CC1 ZINC000072453577 304034797 /nfs/dbraw/zinc/03/47/97/304034797.db2.gz SYCSMVCVWRXPLR-UHFFFAOYSA-N -1 0 345.317 2.854 50 0 EFAARM CN1CCc2c(sc(NC(=O)NC3CCCCC3)c2C(=O)[O-])C1 ZINC000020335378 202039182 /nfs/dbraw/zinc/03/91/82/202039182.db2.gz SOEBAKRVMMGIPH-UHFFFAOYSA-N -1 0 337.445 2.888 50 0 EFAARM Cc1c2ccccc2oc(=O)c1C(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000038490181 202139200 /nfs/dbraw/zinc/13/92/00/202139200.db2.gz XEPCLJWVKXNVSX-UHFFFAOYSA-N -1 0 343.379 2.722 50 0 biogenic EFAARM O=S(=O)([N-]NC(=S)Nc1ccc(Cl)cc1)c1ccccc1 ZINC000003086363 202161735 /nfs/dbraw/zinc/16/17/35/202161735.db2.gz PXYDPFBGFBKQRV-UHFFFAOYSA-N -1 0 341.845 2.520 50 0 EFAARM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)cc1F ZINC000033274063 202254903 /nfs/dbraw/zinc/25/49/03/202254903.db2.gz 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Cc1nc(-n2cccc2)sc1C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000245256060 201153038 /nfs/dbraw/zinc/15/30/38/201153038.db2.gz NBXANQDWGJQDHF-JOCQHMNTSA-N -1 0 347.440 2.863 50 0 EFAARM CCOc1cc(/C=C2/NC(=O)[N-]C2=O)ccc1OCc1ccccc1 ZINC000005872567 201362278 /nfs/dbraw/zinc/36/22/78/201362278.db2.gz WVTXKLFWWZQMSS-XNTDXEJSSA-N -1 0 338.363 2.845 50 0 EFAARM COC(=O)[C@@]1(C)CC[C@H](C(=O)Nc2ccccc2C(=O)[O-])C1(C)C ZINC000000036753 201425424 /nfs/dbraw/zinc/42/54/24/201425424.db2.gz WXPJXQQFUOLUBZ-KZULUSFZSA-N -1 0 333.384 2.939 50 0 EFAARM CSc1ccccc1[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000000159585 201441770 /nfs/dbraw/zinc/44/17/70/201441770.db2.gz MQBBIUORJVTUEG-UHFFFAOYSA-N -1 0 331.850 2.905 50 0 EFAARM C[C@H](Oc1ccccc1CN(C)Cc1cc(C2CC2)n[nH]1)C(=O)[O-] ZINC000215081374 241105306 /nfs/dbraw/zinc/10/53/06/241105306.db2.gz QJXQRWXUIRLKKN-LBPRGKRZSA-N -1 0 329.400 2.771 50 0 EFAARM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(C)cc1 ZINC000000311372 201460097 /nfs/dbraw/zinc/46/00/97/201460097.db2.gz 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O=C([O-])c1ccc(NC(=O)[C@@H]2CC(=O)O[C@H]2c2ccccc2)cc1 ZINC000000376884 304247387 /nfs/dbraw/zinc/24/73/87/304247387.db2.gz MTCQAHCLMSBPEB-ZBFHGGJFSA-N -1 0 325.320 2.628 50 0 EFAARM O=C([O-])c1ccc(S(=O)(=O)c2ccc(Br)cc2)o1 ZINC000032593765 304250506 /nfs/dbraw/zinc/25/05/06/304250506.db2.gz CVVLFXLUYGXAGV-UHFFFAOYSA-N -1 0 331.143 2.573 50 0 EFAARM O=C(NCCCc1nnn[n-]1)N1CCCCC[C@H]1c1cccc(F)c1 ZINC000426648182 257959561 /nfs/dbraw/zinc/95/95/61/257959561.db2.gz RZFPYKFSRONCDK-HNNXBMFYSA-N -1 0 346.410 2.598 50 0 EFAARM CC(C)C[C@H](CC(=O)[O-])NC(=O)N(Cc1cccc(O)c1)C1CC1 ZINC000426535183 257964462 /nfs/dbraw/zinc/96/44/62/257964462.db2.gz ORBDGWSWMIFCRL-CQSZACIVSA-N -1 0 334.416 2.956 50 0 EFAARM CC[C@H](C)[C@@H](NC(=O)Cc1ccc2c(c1)CCC(C)(C)O2)C(=O)[O-] ZINC000334162790 258015876 /nfs/dbraw/zinc/01/58/76/258015876.db2.gz ZJYOXWYWXNGDPU-YVEFUNNKSA-N -1 0 333.428 2.948 50 0 EFAARM O=C([O-])C[C@@]1(c2ccccc2F)CC(=O)N(C2CCCCC2)C1=O ZINC000299784525 258091694 /nfs/dbraw/zinc/09/16/94/258091694.db2.gz XVWRMMCREGGKBB-GOSISDBHSA-N -1 0 333.359 2.630 50 0 EFAARM O=C([O-])c1ccc(-c2ccc(F)cc2)nc1N1CCC[C@@H](CO)C1 ZINC000299790918 258097095 /nfs/dbraw/zinc/09/70/95/258097095.db2.gz CXTIZCXXUJFRGE-GFCCVEGCSA-N -1 0 330.359 2.795 50 0 EFAARM Cc1ccccc1C(=O)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)[O-])C2 ZINC000299793935 258098703 /nfs/dbraw/zinc/09/87/03/258098703.db2.gz IGSPSDNXUCYTJO-VIFPVBQESA-N -1 0 330.365 2.534 50 0 EFAARM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NC[C@@H]1CCOc2ccccc2C1 ZINC000299756749 258074766 /nfs/dbraw/zinc/07/47/66/258074766.db2.gz GEWAHTMIHWWNQV-CYBMUJFWSA-N -1 0 342.395 2.701 50 0 EFAARM COC(=O)c1ccc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1 ZINC000006699850 292013710 /nfs/dbraw/zinc/01/37/10/292013710.db2.gz OEEOUGAJCMQEHT-CABCVRRESA-N -1 0 331.368 2.859 50 0 EFAARM COc1cc(OC)c(CN(C)[C@H](C)c2cccnc2)c(C(=O)[O-])c1 ZINC000097784894 286239742 /nfs/dbraw/zinc/23/97/42/286239742.db2.gz KQHZNSYDDLUGBN-GFCCVEGCSA-N -1 0 330.384 2.990 50 0 EFAARM COc1nccnc1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000038476960 544443062 /nfs/dbraw/zinc/44/30/62/544443062.db2.gz FLSMVCMSUNISFK-UHFFFAOYSA-N -1 0 334.184 2.593 50 0 investigational EFAARM Cn1cc(Br)cc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000131960472 544666739 /nfs/dbraw/zinc/66/67/39/544666739.db2.gz DJGORWJTUUBXBP-LLVKDONJSA-N -1 0 349.184 2.616 50 0 EFAARM COc1cccc(-n2c(SCC(=O)[O-])nnc2-c2ccccn2)c1 ZINC000145616649 544700603 /nfs/dbraw/zinc/70/06/03/544700603.db2.gz GBVQSAZHPCDBDY-UHFFFAOYSA-N -1 0 342.380 2.515 50 0 EFAARM CCc1cc(C(=O)OC)c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC000000214876 288520559 /nfs/dbraw/zinc/52/05/59/288520559.db2.gz VMQUYEBCLBBMKM-WDEREUQCSA-N -1 0 339.413 2.927 50 0 EFAARM Cn1c([O-])c(C2c3ccccc3Oc3ccccc32)c(=O)n(C)c1=O ZINC000002837442 289790972 /nfs/dbraw/zinc/79/09/72/289790972.db2.gz KKAHMQFUFLHHLI-UHFFFAOYSA-N -1 0 336.347 2.591 50 0 EFAARM COc1cc(OC)c(CN(C)Cc2ncccc2C)c(C(=O)[O-])c1 ZINC000097681754 295005444 /nfs/dbraw/zinc/00/54/44/295005444.db2.gz 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ZINC000095506842 473216108 /nfs/dbraw/zinc/21/61/08/473216108.db2.gz DHOGNAMGXPRVQU-IBGZPJMESA-N -1 0 341.411 2.648 50 0 EFAARM Cc1cccc([C@@H](C(=O)[O-])N2CCN(c3ncccc3C)CC2)c1F ZINC000095512280 473217919 /nfs/dbraw/zinc/21/79/19/473217919.db2.gz LNTLYINUPIIHDH-KRWDZBQOSA-N -1 0 343.402 2.785 50 0 EFAARM CC(C)Cc1cc(C(=O)N[C@]2(C(=O)[O-])CCCc3ccccc32)on1 ZINC000095526343 473221059 /nfs/dbraw/zinc/22/10/59/473221059.db2.gz UHJGTQUYPPMABD-LJQANCHMSA-N -1 0 342.395 2.919 50 0 EFAARM O=C([O-])[C@H](NC(=O)C1(c2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000095530755 473221641 /nfs/dbraw/zinc/22/16/41/473221641.db2.gz WTUBIBSSRQZBLC-OAHLLOKOSA-N -1 0 331.318 2.939 50 0 EFAARM O=C([O-])[C@@H]1C[C@@H]2C(c3cccnc3)=CC[C@H]1N2C(=O)c1ccccc1 ZINC000095627573 473223690 /nfs/dbraw/zinc/22/36/90/473223690.db2.gz BSSDKXJANAMJIC-KZNAEPCWSA-N -1 0 334.375 2.853 50 0 EFAARM O=C(c1cnn(-c2ccccn2)c1)c1cc(Br)ccc1[O-] ZINC000082049735 473285291 /nfs/dbraw/zinc/28/52/91/473285291.db2.gz XQMSLSSJGOTTJO-UHFFFAOYSA-N -1 0 344.168 2.966 50 0 EFAARM Cc1nc(N(C)C)nc(C)c1[N-]S(=O)(=O)c1ccccc1Cl ZINC000096098612 473294946 /nfs/dbraw/zinc/29/49/46/473294946.db2.gz HHANAJKGASBTGD-UHFFFAOYSA-N -1 0 340.836 2.614 50 0 EFAARM COc1ccccc1OC1CN(c2ncc(C(=O)[O-])cc2Cl)C1 ZINC000096136830 473310676 /nfs/dbraw/zinc/31/06/76/473310676.db2.gz VWGAALQCOUAYRP-UHFFFAOYSA-N -1 0 334.759 2.709 50 0 EFAARM Cc1ccc(C(=O)[O-])c(N2CCC(OCc3cccnc3)CC2)n1 ZINC000096165830 473321599 /nfs/dbraw/zinc/32/15/99/473321599.db2.gz RHHBMXWZMKXFMM-UHFFFAOYSA-N -1 0 327.384 2.669 50 0 EFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4C)c=3c2=O)cc1 ZINC000096286240 473371558 /nfs/dbraw/zinc/37/15/58/473371558.db2.gz ZAQFVHFYWCPXFL-IRXDYDNUSA-N -1 0 334.379 2.797 50 0 EFAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc(Cl)c2)cc1 ZINC000000060345 471318877 /nfs/dbraw/zinc/31/88/77/471318877.db2.gz JLTQNQSARCUPGB-UHFFFAOYSA-N -1 0 339.800 2.928 50 0 EFAARM CCc1ccccc1NC(=S)N[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000000072504 471319667 /nfs/dbraw/zinc/31/96/67/471319667.db2.gz 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ZINC000000248436 471340544 /nfs/dbraw/zinc/34/05/44/471340544.db2.gz RCDVRHPRTUWQJA-CQSZACIVSA-N -1 0 325.430 2.612 50 0 EFAARM CC[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000279616 471342759 /nfs/dbraw/zinc/34/27/59/471342759.db2.gz GAOKVYMCRJQAOL-JTQLQIEISA-N -1 0 339.442 2.929 50 0 EFAARM CCOC(=O)c1c(C)n2nc(C(=O)[O-])cc2nc1-c1ccccc1 ZINC000000275877 471342946 /nfs/dbraw/zinc/34/29/46/471342946.db2.gz OOSLNHZWGTXZBB-UHFFFAOYSA-N -1 0 325.324 2.580 50 0 EFAARM COc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)cc1 ZINC000000310364 471345507 /nfs/dbraw/zinc/34/55/07/471345507.db2.gz XJBPCONFEIGMOX-UHFFFAOYSA-N -1 0 330.365 2.520 50 0 EFAARM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccccc1 ZINC000000310988 471346219 /nfs/dbraw/zinc/34/62/19/471346219.db2.gz JEAFFLIKEVULPB-UHFFFAOYSA-N -1 0 330.365 2.520 50 0 EFAARM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccccc1C ZINC000000311588 471346552 /nfs/dbraw/zinc/34/65/52/471346552.db2.gz BRZHXGLAJPWDRY-UHFFFAOYSA-N -1 0 344.392 2.829 50 0 EFAARM COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(C(=O)[O-])cc1 ZINC000000324858 471348315 /nfs/dbraw/zinc/34/83/15/471348315.db2.gz OWJIRJKWNACNCI-HNNXBMFYSA-N -1 0 329.308 2.683 50 0 biogenic EFAARM COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(C(=O)[O-])cc1 ZINC000000324856 471348499 /nfs/dbraw/zinc/34/84/99/471348499.db2.gz OWJIRJKWNACNCI-OAHLLOKOSA-N -1 0 329.308 2.683 50 0 biogenic EFAARM Cc1cc(Cl)ccc1N(CC(=O)[O-])S(=O)(=O)c1ccccc1 ZINC000000320343 471348692 /nfs/dbraw/zinc/34/86/92/471348692.db2.gz ZSZHFBYAPZFWGZ-UHFFFAOYSA-N -1 0 339.800 2.928 50 0 EFAARM COC(=O)c1ccccc1NC(=O)[C@@H]1CC[C@](C)(C(=O)[O-])C1(C)C ZINC000000354926 471350508 /nfs/dbraw/zinc/35/05/08/471350508.db2.gz TVQTWEZLNOFBGS-KPZWWZAWSA-N -1 0 333.384 2.939 50 0 EFAARM COc1cc(S(=O)(=O)[N-]c2cccnc2)c(OC)cc1Cl ZINC000000384639 471354017 /nfs/dbraw/zinc/35/40/17/471354017.db2.gz OTFKFIWLDAHEKF-UHFFFAOYSA-N -1 0 328.777 2.553 50 0 EFAARM C[C@@H]1C[C@H](C)CN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000000425360 471357793 /nfs/dbraw/zinc/35/77/93/471357793.db2.gz UFHADDPUIVAIKY-TXEJJXNPSA-N -1 0 331.441 2.564 50 0 EFAARM COc1cc2[n-]c(=S)n(Cc3ccccc3)c(=O)c2cc1OC ZINC000000425087 471358170 /nfs/dbraw/zinc/35/81/70/471358170.db2.gz WZKUVHAJBMVENY-UHFFFAOYSA-N -1 0 328.393 2.751 50 0 EFAARM COc1cc(S(=O)(=O)[N-]c2ccccc2O)c(OC)cc1Cl ZINC000000610311 471373391 /nfs/dbraw/zinc/37/33/91/471373391.db2.gz MIHPQWQEYVPTOO-UHFFFAOYSA-N -1 0 343.788 2.864 50 0 EFAARM COc1ccc(-c2cc(=O)c3c(O)c(OC)c([O-])c(OC)c3o2)cc1 ZINC000000898952 471376809 /nfs/dbraw/zinc/37/68/09/471376809.db2.gz KRFBMPVGAYGGJE-UHFFFAOYSA-N -1 0 344.319 2.897 50 0 biogenic,in-vitro EFAARM COc1ccc(-c2nc([N-]c3nc(C)cc(C)n3)n[nH]2)cc1OC ZINC000001264655 471383484 /nfs/dbraw/zinc/38/34/84/471383484.db2.gz KYTKEFACWPEGMO-UHFFFAOYSA-N -1 0 326.360 2.639 50 0 EFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)c2cccc3cccnc32)cc1 ZINC000001418672 471389569 /nfs/dbraw/zinc/38/95/69/471389569.db2.gz POOTZWBXZBVDCD-UHFFFAOYSA-N -1 0 326.377 2.662 50 0 EFAARM O=C([O-])CCCCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000001795961 471398446 /nfs/dbraw/zinc/39/84/46/471398446.db2.gz ZAQUPVQEYREVMO-UHFFFAOYSA-N -1 0 326.201 2.527 50 0 EFAARM CCOC(=O)C(C(=O)OCC)c1cccc2cccc(C(=O)[O-])c21 ZINC000002154200 471402757 /nfs/dbraw/zinc/40/27/57/471402757.db2.gz UPISGQPGPOZGIG-UHFFFAOYSA-N -1 0 330.336 2.748 50 0 EFAARM Cc1nc2sc3c(c2c2nc(CCC(=O)[O-])nn21)C[C@H](C)CC3 ZINC000002208319 471403737 /nfs/dbraw/zinc/40/37/37/471403737.db2.gz CKRPAEVLWAWWMG-MRVPVSSYSA-N -1 0 330.413 2.789 50 0 EFAARM COC(=O)C1=C([O-])c2c(C)c(C(=O)OC3CCCC3)[nH]c2C[C@@H]1C ZINC000002499395 471409731 /nfs/dbraw/zinc/40/97/31/471409731.db2.gz DJLGSTKNGBXRSF-ZANVPECISA-N -1 0 333.384 2.587 50 0 EFAARM Cc1cc(N2CCOCC2)nc(S[C@H](C(=O)[O-])c2ccccc2)n1 ZINC000002592776 471412211 /nfs/dbraw/zinc/41/22/11/471412211.db2.gz RHRSBTVNCCOGDJ-HNNXBMFYSA-N -1 0 345.424 2.540 50 0 EFAARM O=C([O-])/C=C/C(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000002628652 471413590 /nfs/dbraw/zinc/41/35/90/471413590.db2.gz GXQUTLUSQAVSEO-VAWYXSNFSA-N -1 0 347.374 2.796 50 0 EFAARM CCn1cc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c(C)n1 ZINC000002792646 471421839 /nfs/dbraw/zinc/42/18/39/471421839.db2.gz IBPCOGHUSQVTPR-UHFFFAOYSA-N -1 0 331.344 2.614 50 0 EFAARM Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[O-])nc3n2)s1 ZINC000002800511 471422689 /nfs/dbraw/zinc/42/26/89/471422689.db2.gz SGVOBZLCAUBSDQ-UHFFFAOYSA-N -1 0 328.275 2.878 50 0 EFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccccc2C)cc1OC ZINC000003629133 471454819 /nfs/dbraw/zinc/45/48/19/471454819.db2.gz IJOFQDVWHVHWMR-HNNXBMFYSA-N -1 0 343.379 2.958 50 0 EFAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000003855774 471454830 /nfs/dbraw/zinc/45/48/30/471454830.db2.gz JDFHYYYUCRUEPX-UHFFFAOYSA-N -1 0 329.736 2.978 50 0 EFAARM CO[C@@](F)(C(=O)Nc1cccc(Cl)c1C(=O)[O-])C(F)(F)F ZINC000003672553 471455548 /nfs/dbraw/zinc/45/55/48/471455548.db2.gz HRJXQUCPJJNAFT-JTQLQIEISA-N -1 0 329.633 2.851 50 0 EFAARM Cc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc3c(c2)OCO3)cc1 ZINC000003856197 471455663 /nfs/dbraw/zinc/45/56/63/471455663.db2.gz ZWCXEXAQZSGDON-CQSZACIVSA-N -1 0 327.336 2.670 50 0 EFAARM O=Cc1cc(Br)cc(I)c1[O-] ZINC000003765051 471455892 /nfs/dbraw/zinc/45/58/92/471455892.db2.gz VYKYVFPHGKLLDF-UHFFFAOYSA-N -1 0 326.915 2.572 50 0 EFAARM Cc1ccc2c(cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])n2C)c1 ZINC000004000311 471457182 /nfs/dbraw/zinc/45/71/82/471457182.db2.gz VUIOTJBYZNRROD-INIZCTEOSA-N -1 0 336.391 2.912 50 0 biogenic EFAARM CCOC(=O)c1nc[n-]c1C(=O)Nc1ccc(Br)cc1 ZINC000004066915 471459028 /nfs/dbraw/zinc/45/90/28/471459028.db2.gz CQLCBLHFCIJLJS-UHFFFAOYSA-N -1 0 338.161 2.601 50 0 EFAARM COc1ccc(C[C@H](CC(=O)[O-])C(=O)Nc2ccc(OC)cc2)cc1 ZINC000004101463 471459532 /nfs/dbraw/zinc/45/95/32/471459532.db2.gz BXTXDEWRONTIFA-CQSZACIVSA-N -1 0 343.379 2.976 50 0 EFAARM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)s2)C1 ZINC000004419574 471466001 /nfs/dbraw/zinc/46/60/01/471466001.db2.gz UDZDCHLEOPSIID-YUMQZZPRSA-N -1 0 337.850 2.766 50 0 EFAARM O=C([O-])[C@H]1CS[C@@H](c2cccc(OC(=O)c3ccccc3)c2)N1 ZINC000004572002 471469523 /nfs/dbraw/zinc/46/95/23/471469523.db2.gz IUHBNOBWZKFEHP-CABCVRRESA-N -1 0 329.377 2.694 50 0 EFAARM O=C([O-])[C@@H]1CS[C@H](c2cccc(OC(=O)c3ccccc3)c2)N1 ZINC000004571997 471469624 /nfs/dbraw/zinc/46/96/24/471469624.db2.gz IUHBNOBWZKFEHP-LSDHHAIUSA-N -1 0 329.377 2.694 50 0 EFAARM O=C([O-])C1CCC(NS(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000004672111 471470612 /nfs/dbraw/zinc/47/06/12/471470612.db2.gz SDKMKOTUCOGZCY-UHFFFAOYSA-N -1 0 333.409 2.762 50 0 EFAARM Cc1ccc(OCC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1C ZINC000004673557 471470888 /nfs/dbraw/zinc/47/08/88/471470888.db2.gz JWNVQBKKKIBMFI-UHFFFAOYSA-N -1 0 329.352 2.784 50 0 EFAARM O=C([O-])c1cc(NCc2ccccc2F)ccc1N1CCOCC1 ZINC000004703568 471472711 /nfs/dbraw/zinc/47/27/11/471472711.db2.gz LQULHDZWJGXHMY-UHFFFAOYSA-N -1 0 330.359 2.973 50 0 EFAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccccc1Cl ZINC000004756925 471474040 /nfs/dbraw/zinc/47/40/40/471474040.db2.gz CPBAAXCUAHGTCA-UHFFFAOYSA-N -1 0 338.816 2.642 50 0 EFAARM O=C([O-])Cn1nnc(-c2ccc(OCc3ccccc3Cl)cc2)n1 ZINC000004784204 471475016 /nfs/dbraw/zinc/47/50/16/471475016.db2.gz YUHPPLDJMSBHEV-UHFFFAOYSA-N -1 0 344.758 2.657 50 0 EFAARM COC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000004904472 471478607 /nfs/dbraw/zinc/47/86/07/471478607.db2.gz FNDVHCVMFHSSRH-WDEREUQCSA-N -1 0 337.397 2.757 50 0 EFAARM COC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004904464 471479334 /nfs/dbraw/zinc/47/93/34/471479334.db2.gz FNDVHCVMFHSSRH-MNOVXSKESA-N -1 0 337.397 2.757 50 0 EFAARM O=C([O-])c1ccc(NC(=O)CCn2c(=O)sc3ccccc32)cc1 ZINC000005001154 471483056 /nfs/dbraw/zinc/48/30/56/471483056.db2.gz ITPVZVUENOFCFQ-UHFFFAOYSA-N -1 0 342.376 2.790 50 0 EFAARM COc1cc(C(=O)[O-])ccc1OCC(=O)N[C@H](C)c1ccccc1 ZINC000005027779 471484706 /nfs/dbraw/zinc/48/47/06/471484706.db2.gz CUZDZYIPJMXWST-GFCCVEGCSA-N -1 0 329.352 2.650 50 0 EFAARM Nn1c(SCc2ccc(C(=O)[O-])cc2)nnc1-c1ccccc1F ZINC000005094099 471486178 /nfs/dbraw/zinc/48/61/78/471486178.db2.gz MWCIQPZYPBZMEZ-UHFFFAOYSA-N -1 0 344.371 2.789 50 0 EFAARM COc1ccc(OC)c(Nc2nnc(Cc3ccccc3)c(=O)[n-]2)c1 ZINC000005154463 471487322 /nfs/dbraw/zinc/48/73/22/471487322.db2.gz SVQWHJOOOCNXFK-UHFFFAOYSA-N -1 0 338.367 2.517 50 0 EFAARM Cn1c(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc2cc(F)ccc21 ZINC000005245038 471493851 /nfs/dbraw/zinc/49/38/51/471493851.db2.gz NTZRZFXUEYRDCQ-HNNXBMFYSA-N -1 0 340.354 2.743 50 0 EFAARM O=C([O-])c1ccc(NC(=O)CC[C@H]2COc3ccccc3O2)cc1 ZINC000005429097 471504765 /nfs/dbraw/zinc/50/47/65/471504765.db2.gz IVUYPNUFWGRCKV-AWEZNQCLSA-N -1 0 327.336 2.944 50 0 EFAARM COc1ccc(CCNC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1 ZINC000005523274 471509255 /nfs/dbraw/zinc/50/92/55/471509255.db2.gz TUGPZDBEAUFURS-DLBZAZTESA-N -1 0 331.412 2.801 50 0 EFAARM COc1ccc(CCNC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])cc1 ZINC000005523256 471510296 /nfs/dbraw/zinc/51/02/96/471510296.db2.gz TUGPZDBEAUFURS-SJORKVTESA-N -1 0 331.412 2.801 50 0 EFAARM COc1ccc([C@H](CC(=O)[O-])N2Cc3ccccc3C2=O)cc1OC ZINC000005661908 471515341 /nfs/dbraw/zinc/51/53/41/471515341.db2.gz LGAZLBWJAFUDST-HNNXBMFYSA-N -1 0 341.363 2.876 50 0 EFAARM CC(NCc1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000005884671 471524197 /nfs/dbraw/zinc/52/41/97/471524197.db2.gz JJULNBVYKISHSW-SAPNQHFASA-N -1 0 349.390 2.642 50 0 EFAARM CCOC(=O)c1ccc(-c2c([O-])c3ccc(OC)cc3oc2=O)o1 ZINC000005905856 471525796 /nfs/dbraw/zinc/52/57/96/471525796.db2.gz GAYRPJNMWJIRLF-UHFFFAOYSA-N -1 0 330.292 2.944 50 0 biogenic EFAARM COc1ccc(-c2cc(=O)c3c(O)c(OC)c([O-])cc3o2)cc1OC ZINC000006018691 471529605 /nfs/dbraw/zinc/52/96/05/471529605.db2.gz DRRWBCNQOKKKOL-UHFFFAOYSA-N -1 0 344.319 2.897 50 0 endogenous,in-man EFAARM Cc1ccc(S(=O)(=O)[N-]NC(=S)Nc2cc(C)cc(C)c2)cc1 ZINC000006613769 471555070 /nfs/dbraw/zinc/55/50/70/471555070.db2.gz AXXYTLKSGKYHQA-UHFFFAOYSA-N -1 0 349.481 2.792 50 0 EFAARM O=C1Oc2ccccc2[C@@H](O)C1=C([O-])c1ccccc1Br ZINC000006667219 471558556 /nfs/dbraw/zinc/55/85/56/471558556.db2.gz QODVAYBXMZHWMD-DZGCQCFKSA-N -1 0 347.164 2.901 50 0 EFAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cs1 ZINC000006681565 471559539 /nfs/dbraw/zinc/55/95/39/471559539.db2.gz NEZOCWSBPIYOBA-UHFFFAOYSA-N -1 0 338.454 2.834 50 0 EFAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000006706610 471561730 /nfs/dbraw/zinc/56/17/30/471561730.db2.gz FZBKPTHVZNUNTL-UHFFFAOYSA-N -1 0 329.324 2.783 50 0 EFAARM O=S(=O)([N-]c1ccc(Br)cn1)c1cc(F)ccc1F ZINC000006706684 471562179 /nfs/dbraw/zinc/56/21/79/471562179.db2.gz KXAFZVMEMNOPLM-UHFFFAOYSA-N -1 0 349.156 2.923 50 0 EFAARM C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000006704261 471562347 /nfs/dbraw/zinc/56/23/47/471562347.db2.gz MSVNANJZPOGUHE-AWEZNQCLSA-N -1 0 346.452 2.809 50 0 EFAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000006726403 471563467 /nfs/dbraw/zinc/56/34/67/471563467.db2.gz XNALZKYTRNJOCS-HOTGVXAUSA-N -1 0 344.411 2.752 50 0 EFAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000007055199 471587868 /nfs/dbraw/zinc/58/78/68/471587868.db2.gz PWUZASJJEPJMIR-UHFFFAOYSA-N -1 0 341.335 2.942 50 0 EFAARM COc1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)cn1 ZINC000007056544 471588651 /nfs/dbraw/zinc/58/86/51/471588651.db2.gz VEOODOPQWWXUGD-UHFFFAOYSA-N -1 0 332.303 2.910 50 0 EFAARM CCc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000007602811 471623235 /nfs/dbraw/zinc/62/32/35/471623235.db2.gz KSUZERKANNRDIO-UHFFFAOYSA-N -1 0 333.409 2.837 50 0 EFAARM O=C([O-])CCCC(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000008723192 471701133 /nfs/dbraw/zinc/70/11/33/471701133.db2.gz HODXCPHDCNJORW-UHFFFAOYSA-N -1 0 340.379 2.810 50 0 EFAARM O=C(CSc1nc2ccccc2[nH]1)NCc1ccc(C(=O)[O-])cc1 ZINC000008813284 471705298 /nfs/dbraw/zinc/70/52/98/471705298.db2.gz MQBPBETZFWZKRK-UHFFFAOYSA-N -1 0 341.392 2.670 50 0 EFAARM Cc1cccc(OCC(=O)Nc2cccc(OCC(=O)[O-])c2)c1C ZINC000008906848 471706287 /nfs/dbraw/zinc/70/62/87/471706287.db2.gz DLZBEFHBAURJKT-UHFFFAOYSA-N -1 0 329.352 2.784 50 0 EFAARM COc1ccc(Cc2nnc(Nc3ccccc3)[n-]c2=O)cc1OC ZINC000008997231 471709258 /nfs/dbraw/zinc/70/92/58/471709258.db2.gz QEJSHRNYWHZYCY-UHFFFAOYSA-N -1 0 338.367 2.929 50 0 EFAARM COc1ccc(Cc2nnc(Nc3ccc(OC)cc3)[n-]c2=O)cc1 ZINC000008997308 471709329 /nfs/dbraw/zinc/70/93/29/471709329.db2.gz FSNWBBBCIKSSSG-UHFFFAOYSA-N -1 0 338.367 2.929 50 0 EFAARM CCCCN1C(=O)[N-]C(=O)C(=C(C)Nc2ccc3c(c2)CCC3)C1=O ZINC000009009478 471709919 /nfs/dbraw/zinc/70/99/19/471709919.db2.gz BWNKZJRGCMLBOL-FOWTUZBSSA-N -1 0 341.411 2.740 50 0 EFAARM CC[C@H](C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)[O-] ZINC000009164623 471712058 /nfs/dbraw/zinc/71/20/58/471712058.db2.gz NPVHAHSXDFHQIN-CQDKDKBSSA-N -1 0 347.415 2.679 50 0 biogenic EFAARM CCOCCOc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000009878513 471722726 /nfs/dbraw/zinc/72/27/26/471722726.db2.gz WHBOOWNHFQLMRG-HOTGVXAUSA-N -1 0 335.400 2.931 50 0 EFAARM COc1ccc(-c2csc(NC(=O)/C(C)=C\C(=O)[O-])n2)cc1OC ZINC000011566380 471754032 /nfs/dbraw/zinc/75/40/32/471754032.db2.gz RCPJIBRYYZRORY-TWGQIWQCSA-N -1 0 348.380 2.797 50 0 EFAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1nnc(CC(C)C)s1 ZINC000011615621 471755529 /nfs/dbraw/zinc/75/55/29/471755529.db2.gz SXOSEFCCRJSCOQ-UHFFFAOYSA-N -1 0 341.458 2.854 50 0 EFAARM O=C([O-])CCn1c2nn(Cc3ccccc3)cc2c(C(F)F)cc1=O ZINC000012397959 471774414 /nfs/dbraw/zinc/77/44/14/471774414.db2.gz NEARYXQVTZVULI-UHFFFAOYSA-N -1 0 347.321 2.659 50 0 EFAARM COc1ccc(N2C[C@H](c3n[n-]c(=S)o3)CC2=O)cc1Cl ZINC000012415028 471775016 /nfs/dbraw/zinc/77/50/16/471775016.db2.gz WGHHVUJOHRQFCI-SSDOTTSWSA-N -1 0 325.777 2.915 50 0 EFAARM CCN(C(=O)c1cccc(NC(=O)/C=C/C(=O)[O-])c1)c1ccccc1 ZINC000012403836 471775277 /nfs/dbraw/zinc/77/52/77/471775277.db2.gz ZVBCUSVQELRHJS-VAWYXSNFSA-N -1 0 338.363 2.933 50 0 EFAARM COC(=O)[C@]1(C)C[C@H](C(=O)[O-])[C@H](c2ccccc2C(F)(F)F)N1C ZINC000012856853 471801322 /nfs/dbraw/zinc/80/13/22/471801322.db2.gz LUVKCSBCHJGBRC-WBIUFABUSA-N -1 0 345.317 2.715 50 0 EFAARM CCCCN1C(=O)[N-]C(=O)C(=C(C)Nc2ccc(OCC)cc2)C1=O ZINC000013758297 471842415 /nfs/dbraw/zinc/84/24/15/471842415.db2.gz QSAVXWGSBVHTOR-QINSGFPZSA-N -1 0 345.399 2.650 50 0 EFAARM O=C([O-])c1ccccc1C(=O)Nc1cccc(C(=O)N2CCCC2)c1 ZINC000014559591 471874637 /nfs/dbraw/zinc/87/46/37/471874637.db2.gz NFMRGAHVZBQSOK-UHFFFAOYSA-N -1 0 338.363 2.873 50 0 EFAARM Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)[C@H](C)C(=O)[O-])cc1 ZINC000014628722 471876233 /nfs/dbraw/zinc/87/62/33/471876233.db2.gz PFZHVFHEFSHFKV-GFCCVEGCSA-N -1 0 337.372 2.803 50 0 EFAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccccc2F)C[C@H]1C(=O)[O-] ZINC000014632448 471876323 /nfs/dbraw/zinc/87/63/23/471876323.db2.gz AUSMQEAACFWSDK-JQWIXIFHSA-N -1 0 325.336 2.667 50 0 EFAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)cc2F)C[C@H]1C(=O)[O-] ZINC000014632520 471876374 /nfs/dbraw/zinc/87/63/74/471876374.db2.gz GQLWXUWVIWOGMA-JQWIXIFHSA-N -1 0 343.326 2.806 50 0 EFAARM Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])ccc12 ZINC000016480047 471939308 /nfs/dbraw/zinc/93/93/08/471939308.db2.gz SGMQPIPRCVJDAL-ZIAGYGMSSA-N -1 0 327.336 2.707 50 0 EFAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000016578258 471941732 /nfs/dbraw/zinc/94/17/32/471941732.db2.gz BRVGYJOGGOKMIU-UHFFFAOYSA-N -1 0 337.372 2.944 50 0 EFAARM COc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1C(=O)[O-] ZINC000016622179 471944315 /nfs/dbraw/zinc/94/43/15/471944315.db2.gz ZUQPUAFTUBWINH-NSHDSACASA-N -1 0 347.392 2.533 50 0 EFAARM CC(C)c1cc(C(N)=O)c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000017071005 471955079 /nfs/dbraw/zinc/95/50/79/471955079.db2.gz RBGJUEMAKRIFQD-ZJUUUORDSA-N -1 0 338.429 2.800 50 0 EFAARM COc1ccc(OC)c([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000017070617 471955086 /nfs/dbraw/zinc/95/50/86/471955086.db2.gz ZOZLGGUSQQPSPN-YUTCNCBUSA-N -1 0 335.400 2.772 50 0 EFAARM Cc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)[n-]c1=O ZINC000018182365 471971178 /nfs/dbraw/zinc/97/11/78/471971178.db2.gz OTUQSQYAFDWYMI-UHFFFAOYSA-N -1 0 344.318 2.635 50 0 EFAARM COc1cccc2ccn(CCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c21 ZINC000040308988 472030112 /nfs/dbraw/zinc/03/01/12/472030112.db2.gz QUABYHYQEMEJMF-AWEZNQCLSA-N -1 0 332.400 2.656 50 0 biogenic EFAARM COC(=O)c1cc2c(C(=O)[O-])cn(Cc3ccc(F)cc3)c2cn1 ZINC000040449971 472032236 /nfs/dbraw/zinc/03/22/36/472032236.db2.gz DMEMAMZZHYFQTC-UHFFFAOYSA-N -1 0 328.299 2.709 50 0 EFAARM CC(=O)N[C@H](C)c1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1 ZINC000067491207 472039921 /nfs/dbraw/zinc/03/99/21/472039921.db2.gz YQAFLJOLKSMDEQ-LLVKDONJSA-N -1 0 329.400 2.703 50 0 EFAARM Cc1c(C(=O)[O-])sc2ncnc(N3CCC([C@@H](O)C(C)C)CC3)c12 ZINC000067605403 472057766 /nfs/dbraw/zinc/05/77/66/472057766.db2.gz MWTNCSCLLFVRJL-ZDUSSCGKSA-N -1 0 349.456 2.931 50 0 EFAARM COc1cc(C)ccc1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1 ZINC000054363362 472081135 /nfs/dbraw/zinc/08/11/35/472081135.db2.gz DCQRXMADHGLCPT-UHFFFAOYSA-N -1 0 334.397 2.763 50 0 EFAARM C[C@@H](NC(=O)N1CCC(c2nc3ccccc3s2)CC1)C(=O)[O-] ZINC000025107778 472081176 /nfs/dbraw/zinc/08/11/76/472081176.db2.gz ZQBIKHSFFXMDLE-SNVBAGLBSA-N -1 0 333.413 2.658 50 0 EFAARM O=C([O-])[C@H]1[C@@H](C(=O)Nc2ccc(F)c(C(F)(F)F)c2)[C@H]2CC[C@@H]1O2 ZINC000085389768 472242125 /nfs/dbraw/zinc/24/21/25/472242125.db2.gz RQYCIZCLNVUAOV-NOOOWODRSA-N -1 0 347.264 2.661 50 0 EFAARM O=C(Cc1csc([N-]c2ncccn2)n1)NCc1ccccc1F ZINC000044227652 472290829 /nfs/dbraw/zinc/29/08/29/472290829.db2.gz VEFOOVLPPYZCMX-UHFFFAOYSA-N -1 0 343.387 2.675 50 0 EFAARM Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000031864413 472400100 /nfs/dbraw/zinc/40/01/00/472400100.db2.gz AFHFQIOEYVCTOH-CQSZACIVSA-N -1 0 344.436 2.979 50 0 EFAARM CC(C)c1ccc(-c2cc3c(=O)n(CCC(=O)[O-])ccn3n2)cc1 ZINC000057352153 472419226 /nfs/dbraw/zinc/41/92/26/472419226.db2.gz LCHFOSGDWBPICC-UHFFFAOYSA-N -1 0 325.368 2.761 50 0 EFAARM O=C(CSc1nc(=O)c2sccc2[n-]1)NCc1ccccc1F ZINC000057477635 472444191 /nfs/dbraw/zinc/44/41/91/472444191.db2.gz IHWPHPDADJZOPA-UHFFFAOYSA-N -1 0 349.412 2.945 50 0 EFAARM COc1cc(C(=O)[O-])cc(C(=O)N2CCC[C@@]3(CCCO3)CC2)c1 ZINC000097568951 472501659 /nfs/dbraw/zinc/50/16/59/472501659.db2.gz MTEXOWYEJVFLNC-GOSISDBHSA-N -1 0 333.384 2.569 50 0 EFAARM Cc1ccc(-c2ccc(CN3Cc4nc[nH]c4C[C@@H]3C(=O)[O-])cc2)o1 ZINC000097743508 472506556 /nfs/dbraw/zinc/50/65/56/472506556.db2.gz OAPBKSTZIRLRAN-QGZVFWFLSA-N -1 0 337.379 2.990 50 0 EFAARM COc1ccc(Cn2c(=O)c3ccccc3[n-]c2=S)cc1OC ZINC000100090479 472525596 /nfs/dbraw/zinc/52/55/96/472525596.db2.gz VJEZWQQCHITBDV-UHFFFAOYSA-N -1 0 328.393 2.751 50 0 EFAARM O=C(Nc1ccc(F)c(F)c1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621266 472528129 /nfs/dbraw/zinc/52/81/29/472528129.db2.gz OWOQZOORSBYLLO-UHFFFAOYSA-N -1 0 342.301 2.794 50 0 EFAARM O=C([O-])[C@@H]1CCC[C@@H]2CN3CCc4c5ccccc5[nH]c4[C@@H]3[C@H](O)[C@H]12 ZINC000101026086 472529818 /nfs/dbraw/zinc/52/98/18/472529818.db2.gz FAJGWXJPBTUEOP-WPZGTKKNSA-N -1 0 340.423 2.559 50 0 EFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(F)c4)c=3c2=O)cc1F ZINC000101260555 472531103 /nfs/dbraw/zinc/53/11/03/472531103.db2.gz LGLUQPKCOQJLJC-GJZGRUSLSA-N -1 0 342.305 2.771 50 0 EFAARM O=C(c1cc(=O)[nH][n-]1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071589576 472553064 /nfs/dbraw/zinc/55/30/64/472553064.db2.gz SZZCCTJEPQJWSH-LBPRGKRZSA-N -1 0 342.182 2.636 50 0 EFAARM O=C(c1cc(=O)[nH][n-]1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071589577 472553226 /nfs/dbraw/zinc/55/32/26/472553226.db2.gz SZZCCTJEPQJWSH-GFCCVEGCSA-N -1 0 342.182 2.636 50 0 EFAARM Cc1cccc2[nH]c([C@H]3CCCN3Cc3c[nH]nc3C(=O)[O-])nc21 ZINC000071759457 472561944 /nfs/dbraw/zinc/56/19/44/472561944.db2.gz RDCKLWIIYYUNCD-CYBMUJFWSA-N -1 0 325.372 2.630 50 0 EFAARM COc1cccc(C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)[O-])c1 ZINC000072233766 472635652 /nfs/dbraw/zinc/63/56/52/472635652.db2.gz SVLAJBNRVFAWNG-HIFRSBDPSA-N -1 0 335.400 2.948 50 0 EFAARM COc1cccc(NCc2nn(C/C=C/c3ccccc3)c(=O)[n-]2)c1 ZINC000061721106 472716550 /nfs/dbraw/zinc/71/65/50/472716550.db2.gz XSZMFMRVWGOJJH-RMKNXTFCSA-N -1 0 336.395 2.906 50 0 EFAARM CC(C)Cc1nc(CN2C[C@@H](c3ccc(F)cc3)[C@H](C(=O)[O-])C2)no1 ZINC000091326914 472757018 /nfs/dbraw/zinc/75/70/18/472757018.db2.gz ZEFBKXFGGOMBPU-LSDHHAIUSA-N -1 0 347.390 2.707 50 0 EFAARM O=C([O-])[C@@H]1CN(C(=O)c2cccc3cnccc32)C[C@H]1c1cccnc1 ZINC000091462690 472769429 /nfs/dbraw/zinc/76/94/29/472769429.db2.gz PEPYLEJYFDMPNK-ZWKOTPCHSA-N -1 0 347.374 2.570 50 0 EFAARM Cc1noc(C)c1CCC(=O)N1CCC[C@](CC2CC2)(C(=O)[O-])C1 ZINC000091486863 472773945 /nfs/dbraw/zinc/77/39/45/472773945.db2.gz JZUYLOCLETWVCU-GOSISDBHSA-N -1 0 334.416 2.718 50 0 EFAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)C2(c3ccc(OC)cc3)CC2)C1 ZINC000091547441 472776407 /nfs/dbraw/zinc/77/64/07/472776407.db2.gz NMAGTIOHXXVYNJ-SFHVURJKSA-N -1 0 331.412 2.830 50 0 EFAARM CC(C)=CC[C@]1(C(=O)[O-])CCCN(C(=O)CCCc2cn[nH]c2)C1 ZINC000091575132 472777452 /nfs/dbraw/zinc/77/74/52/472777452.db2.gz CFUYXAJKIBEQGO-GOSISDBHSA-N -1 0 333.432 2.782 50 0 EFAARM Cc1noc(C)c1CCC(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000091645986 472789073 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O=C(CSc1nc(=O)c2sccc2[n-]1)N1CCc2ccccc21 ZINC000051317207 473040952 /nfs/dbraw/zinc/04/09/52/473040952.db2.gz JEGOMJAIDLPHMP-UHFFFAOYSA-N -1 0 343.433 2.666 50 0 EFAARM Cc1cc(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)nc(C)n1 ZINC000095368135 473191950 /nfs/dbraw/zinc/19/19/50/473191950.db2.gz GGJCVZALAYRZTR-INIZCTEOSA-N -1 0 339.395 2.811 50 0 EFAARM COc1c(F)cc(F)cc1[C@@H](C(=O)[O-])N(C)Cc1c(C)n[nH]c1C ZINC000095380170 473193829 /nfs/dbraw/zinc/19/38/29/473193829.db2.gz OCSSVNZDLSKGJF-AWEZNQCLSA-N -1 0 339.342 2.571 50 0 EFAARM Cc1cc(C)n(CC(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)n1 ZINC000095389067 473194067 /nfs/dbraw/zinc/19/40/67/473194067.db2.gz SGGGKGFIJVBJQG-KRWDZBQOSA-N -1 0 341.411 2.604 50 0 EFAARM COc1ccccc1CN1CCN([C@@H](C(=O)[O-])c2ccsc2)CC1 ZINC000095383957 473194677 /nfs/dbraw/zinc/19/46/77/473194677.db2.gz BORKNGVGZCVPBI-QGZVFWFLSA-N -1 0 346.452 2.700 50 0 EFAARM Cc1nn(C)c(C)c1C(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095392710 473195279 /nfs/dbraw/zinc/19/52/79/473195279.db2.gz OPDDYZQDJWNUNZ-MRXNPFEDSA-N -1 0 341.411 2.755 50 0 EFAARM C[C@H]1Cc2cccc3c2n1c(=O)c(C(=O)NCc1cccs1)c3[O-] ZINC000170624725 473567689 /nfs/dbraw/zinc/56/76/89/473567689.db2.gz RQJMBPHCAJHVPQ-JTQLQIEISA-N -1 0 340.404 2.816 50 0 EFAARM O=C([O-])CC1(NC(=O)[C@@H](O)c2ccccc2Cl)CCCCC1 ZINC000219765580 474148314 /nfs/dbraw/zinc/14/83/14/474148314.db2.gz DQQQSCMAXUVSCA-AWEZNQCLSA-N -1 0 325.792 2.667 50 0 EFAARM O=C([O-])c1ccc(C[NH+]2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000252508426 474685743 /nfs/dbraw/zinc/68/57/43/474685743.db2.gz XNGRIQXNEXRYEP-UHFFFAOYSA-N -1 0 346.377 2.981 50 0 EFAARM Cn1cc([C@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)cn1 ZINC000253409783 474740606 /nfs/dbraw/zinc/74/06/06/474740606.db2.gz MJXMOUYFVCVRTE-OAHLLOKOSA-N -1 0 348.358 2.798 50 0 EFAARM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)COC2CCCC2)c1 ZINC000262338178 475221997 /nfs/dbraw/zinc/22/19/97/475221997.db2.gz XPJHULRBOHGGRZ-UHFFFAOYSA-N -1 0 343.383 2.777 50 0 EFAARM CCC[C@]1(C(=O)[O-])CCCN1C(=O)c1ccncc1Br ZINC000395846650 476845392 /nfs/dbraw/zinc/84/53/92/476845392.db2.gz JGVXNUOKUAJINB-CQSZACIVSA-N -1 0 341.205 2.704 50 0 EFAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)CCc3cnccn3)C2)cc1 ZINC000426548735 477719205 /nfs/dbraw/zinc/71/92/05/477719205.db2.gz GOPDHSCMNMVCRI-INIZCTEOSA-N -1 0 339.395 2.514 50 0 EFAARM C[C@@H]1C[C@@H](C(=O)N[C@H](Cc2cccc3ccccc32)C(=O)[O-])CCO1 ZINC000585134035 479295350 /nfs/dbraw/zinc/29/53/50/479295350.db2.gz BDQVLXOSGUOSTN-RPVQJOFSSA-N -1 0 341.407 2.767 50 0 EFAARM CCCOCC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC000585134126 479295488 /nfs/dbraw/zinc/29/54/88/479295488.db2.gz FKGSDZZBFSTSOC-UHFFFAOYSA-N -1 0 330.178 2.821 50 0 EFAARM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@@H]2CCOc3ccccc32)c2ccccc21 ZINC000653330404 481231648 /nfs/dbraw/zinc/23/16/48/481231648.db2.gz FBWCEQWLXIRPBY-IXDOHACOSA-N -1 0 337.375 2.982 50 0 EFAARM Cc1nc2n(n1)[C@@H](c1ccc(Cl)cc1Cl)CC(C(=O)[O-])=N2 ZINC000012323103 518193109 /nfs/dbraw/zinc/19/31/09/518193109.db2.gz HWWXNYNIFKNYRL-LLVKDONJSA-N -1 0 325.155 2.877 50 0 EFAARM Cc1noc([C@H](C)N(C)Cc2cc(Cl)ccc2OCC(=O)[O-])n1 ZINC000244724722 526660038 /nfs/dbraw/zinc/66/00/38/526660038.db2.gz MZLFRPGXSJCREP-VIFPVBQESA-N -1 0 339.779 2.688 50 0 EFAARM CN1C(=O)C[C@H](CNC(=O)c2ccc([O-])c(Cl)c2)c2ccccc21 ZINC000215595718 536317599 /nfs/dbraw/zinc/31/75/99/536317599.db2.gz MSLNTCVDVJIVIY-GFCCVEGCSA-N -1 0 344.798 2.926 50 0 EFAARM COc1cc2ncnc(Nc3ccc(O)c(C(=O)[O-])c3)c2cc1OC ZINC000005511124 564004906 /nfs/dbraw/zinc/00/49/06/564004906.db2.gz BJZYDPXIWGBZLR-UHFFFAOYSA-N -1 0 341.323 2.794 50 0 EFAARM CC1(C)C(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C1(C)C ZINC000236734747 568416998 /nfs/dbraw/zinc/41/69/98/568416998.db2.gz NMBDPZUPQNFCBH-AWEZNQCLSA-N -1 0 328.412 2.962 50 0 EFAARM CSc1ccc2nc(N3CC[C@@H](O)[C@@H](C(=O)[O-])C3)cc(C)c2c1 ZINC001772700895 1249283735 /nfs/dbraw/zinc/28/37/35/1249283735.db2.gz IOESDMQTSNFTJQ-DZGCQCFKSA-N -1 0 332.425 2.537 50 0 EFAARM O=C(c1ccnc(-c2cc(Cl)c([O-])cc2F)c1)N1CCOCC1 ZINC001772701905 1249285422 /nfs/dbraw/zinc/28/54/22/1249285422.db2.gz POKIYRNQIQPYSI-UHFFFAOYSA-N -1 0 336.750 2.719 50 0 EFAARM Cc1cc(C)c(NC(=O)N2C[C@@H]3COCC[C@]3(C(=O)[O-])C2)c(C)c1 ZINC001772701832 1249285432 /nfs/dbraw/zinc/28/54/32/1249285432.db2.gz BSKAWWBZFLDCTI-KDOFPFPSSA-N -1 0 332.400 2.567 50 0 EFAARM O=C([O-])[C@@]12CN(c3ccnc4ccc(Cl)cc43)C[C@@H]1COCC2 ZINC001772709339 1249296560 /nfs/dbraw/zinc/29/65/60/1249296560.db2.gz FTAUUTLWHPBHQS-DIFFPNOSSA-N -1 0 332.787 2.816 50 0 EFAARM CCCOc1ccccc1-c1nnc([N-][C@H]2CCCCNC2=O)o1 ZINC001772710512 1249298158 /nfs/dbraw/zinc/29/81/58/1249298158.db2.gz XBRSBWBYSAXEKQ-ZDUSSCGKSA-N -1 0 330.388 2.606 50 0 EFAARM COc1cccc2ccn(CCC(=O)N[C@H](CC(C)C)C(=O)[O-])c21 ZINC000206410688 1249462403 /nfs/dbraw/zinc/46/24/03/1249462403.db2.gz QUABYHYQEMEJMF-CQSZACIVSA-N -1 0 332.400 2.656 50 0 EFAARM CC[C@@H](C)[C@@H](NC(=O)CCn1ccc2c1cccc2OC)C(=O)[O-] ZINC000206410603 1249462606 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216257523 /nfs/dbraw/zinc/25/75/23/216257523.db2.gz NJYHXHVZJLHNRG-UHFFFAOYSA-N -1 0 347.459 2.993 50 0 EFAARM CCOc1ccc(-c2ccnc(NC[C@H]3CCOC3)n2)cc1C(=O)[O-] ZINC000072479338 216258518 /nfs/dbraw/zinc/25/85/18/216258518.db2.gz CGEKGUHJGWJIOE-GFCCVEGCSA-N -1 0 343.383 2.689 50 0 EFAARM CS(=O)(=O)[N-]c1ccccc1-c1nc(COc2ccccc2)no1 ZINC000022464494 212299211 /nfs/dbraw/zinc/29/92/11/212299211.db2.gz WFPFKLNIKDZNNA-UHFFFAOYSA-N -1 0 345.380 2.687 50 0 EFAARM COc1ccc(OC)c(/C=C(/NC(=O)c2ccc(F)cc2)C(=O)[O-])c1 ZINC000022229292 212282384 /nfs/dbraw/zinc/28/23/84/212282384.db2.gz QZJPNBVHMSTHBS-XNTDXEJSSA-N -1 0 345.326 2.698 50 0 EFAARM Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2cn(C)cn2)cs1 ZINC000206909117 241057313 /nfs/dbraw/zinc/05/73/13/241057313.db2.gz JHVGPGSXWXAVEI-UHFFFAOYSA-N -1 0 334.426 2.653 50 0 EFAARM COc1ccc(C(=O)[O-])c(NC(=O)CSc2nc(C)cc(C)n2)c1 ZINC000215678534 241140383 /nfs/dbraw/zinc/14/03/83/241140383.db2.gz XKGHCNPXOUZRHZ-UHFFFAOYSA-N -1 0 347.396 2.531 50 0 EFAARM O=C([O-])CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000216626945 241202977 /nfs/dbraw/zinc/20/29/77/241202977.db2.gz QEBWPPCVQYXGCJ-QGZVFWFLSA-N -1 0 336.347 2.666 50 0 biogenic EFAARM COc1ccc(Cn2cc(-c3nc(C)[n-]c(=O)c3Cl)cn2)cc1 ZINC000216339912 241184113 /nfs/dbraw/zinc/18/41/13/241184113.db2.gz AJXQXZYLJSJXIM-UHFFFAOYSA-N -1 0 330.775 2.652 50 0 EFAARM Cc1cccc(SC2CCN(C(=O)c3[nH]cnc3C(=O)[O-])CC2)c1 ZINC000216417329 241191124 /nfs/dbraw/zinc/19/11/24/241191124.db2.gz BUEDZFFPCFSVAD-UHFFFAOYSA-N -1 0 345.424 2.813 50 0 EFAARM COC(=O)C[C@H](c1ccc(C(=O)[O-])cc1)c1cc2c(cc1O)OCO2 ZINC000218055500 241293691 /nfs/dbraw/zinc/29/36/91/241293691.db2.gz CCBZLRSYQWIBIN-GFCCVEGCSA-N -1 0 344.319 2.514 50 0 biogenic EFAARM CCOc1cc(C(=O)[O-])ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000227145049 242122330 /nfs/dbraw/zinc/12/23/30/242122330.db2.gz AFOWGOJHTGVKIA-UHFFFAOYSA-N -1 0 336.365 2.860 50 0 EFAARM CN(CC(=O)Nc1cccc(C(=O)[O-])c1)[C@H](c1ccccn1)C1CC1 ZINC000243956711 243035436 /nfs/dbraw/zinc/03/54/36/243035436.db2.gz CCKOLTBLCYLHDY-SFHVURJKSA-N -1 0 339.395 2.801 50 0 EFAARM O=C([O-])c1cc(-c2ccccc2F)nc2c(Br)cnn21 ZINC000020615623 212155895 /nfs/dbraw/zinc/15/58/95/212155895.db2.gz LZGXVFIOSZECCQ-UHFFFAOYSA-N -1 0 336.120 2.996 50 0 EFAARM CCCc1cc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)n(C)n1 ZINC000095388270 284105921 /nfs/dbraw/zinc/10/59/21/284105921.db2.gz OAVYFGHKJLSMTD-AWEZNQCLSA-N -1 0 335.791 2.582 50 0 EFAARM Cc1noc([C@H]2CCCCN2Cc2nc(=O)c3sccc3[n-]2)n1 ZINC000253536276 244012773 /nfs/dbraw/zinc/01/27/73/244012773.db2.gz COUKTVLTGDGTEW-LLVKDONJSA-N -1 0 331.401 2.816 50 0 EFAARM CCc1ccc(C(=O)NC(=S)Nc2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000020151606 212106382 /nfs/dbraw/zinc/10/63/82/212106382.db2.gz CYDAFOOQPGIAEL-UHFFFAOYSA-N -1 0 344.392 2.780 50 0 EFAARM O=C([O-])C=Cc1cccc(N2C(=O)[C@@H]3CC(Cl)=CC[C@@H]3C2=O)c1 ZINC000020109970 212102191 /nfs/dbraw/zinc/10/21/91/212102191.db2.gz ANBPDQVBHMMILL-QFVHEQCKSA-N -1 0 331.755 2.807 50 0 EFAARM Cc1ccc(N2C(=O)C[C@@H](Sc3ncccc3C(=O)[O-])C2=O)cc1 ZINC000019881497 212078434 /nfs/dbraw/zinc/07/84/34/212078434.db2.gz OSEINEYTWCCJKJ-CYBMUJFWSA-N -1 0 342.376 2.512 50 0 EFAARM O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000019791742 212067610 /nfs/dbraw/zinc/06/76/10/212067610.db2.gz BZPQIBLRPSZJIK-AWEZNQCLSA-N -1 0 345.351 2.948 50 0 EFAARM CCC[C@H](NC(=O)NCc1ccc(Br)cc1)C(=O)[O-] ZINC000019399773 212026298 /nfs/dbraw/zinc/02/62/98/212026298.db2.gz QMYCCMPRJVLNQG-NSHDSACASA-N -1 0 329.194 2.502 50 0 EFAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)CC(=O)[O-] ZINC000017067030 211948512 /nfs/dbraw/zinc/94/85/12/211948512.db2.gz DLDJBMOCLIMIMJ-MRVPVSSYSA-N -1 0 327.402 2.981 50 0 EFAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(C)on1 ZINC000016648310 211924541 /nfs/dbraw/zinc/92/45/41/211924541.db2.gz JLXOAGDMYCJSEC-UHFFFAOYSA-N -1 0 347.190 2.555 50 0 EFAARM O=C([O-])CCn1c2nn(C3CCCC3)cc2c(C(F)F)cc1=O ZINC000012398051 211368297 /nfs/dbraw/zinc/36/82/97/211368297.db2.gz LDWMFKBNAMIFEE-UHFFFAOYSA-N -1 0 325.315 2.725 50 0 EFAARM O=C(CSc1nncc(=O)[n-]1)N(c1ccccc1)c1ccccc1 ZINC000011905428 211265989 /nfs/dbraw/zinc/26/59/89/211265989.db2.gz AUIRNJBDBDXZCR-UHFFFAOYSA-N -1 0 338.392 2.622 50 0 EFAARM CCC[C@@H]1CN(C(=O)c2cccc(-c3ncc[nH]3)c2)C[C@H]1C(=O)[O-] ZINC000091519430 218016952 /nfs/dbraw/zinc/01/69/52/218016952.db2.gz ZLTVRNFBJJMJDD-HUUCEWRRSA-N -1 0 327.384 2.650 50 0 EFAARM CCC[C@]1(C(=O)[O-])CCCN(C(=O)CCc2cn3ccccc3n2)C1 ZINC000091547130 218019919 /nfs/dbraw/zinc/01/99/19/218019919.db2.gz WKQUBRBBOJFJRW-IBGZPJMESA-N -1 0 343.427 2.760 50 0 EFAARM Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1O ZINC000091563487 218022870 /nfs/dbraw/zinc/02/28/70/218022870.db2.gz AUNBIVCPBAUXME-JKSUJKDBSA-N -1 0 325.364 2.641 50 0 EFAARM CC(C)=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(CO)cc2)C1 ZINC000091713627 218053324 /nfs/dbraw/zinc/05/33/24/218053324.db2.gz VBKCHDYGGNBQBY-LJQANCHMSA-N -1 0 331.412 2.842 50 0 EFAARM O=C([O-])[C@@H]1CN(C(=O)CSCC2CC2)C[C@H]1c1cccc(F)c1 ZINC000091754928 218059100 /nfs/dbraw/zinc/05/91/00/218059100.db2.gz SAQKAXQORBJSIX-LSDHHAIUSA-N -1 0 337.416 2.596 50 0 EFAARM CC(C)=CC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2c(C)n[nH]c2C)C1 ZINC000091757611 218060134 /nfs/dbraw/zinc/06/01/34/218060134.db2.gz VMHKWIXWHOHFIJ-GOSISDBHSA-N -1 0 333.432 2.619 50 0 EFAARM O=C([O-])[C@@H]1CN(C(=O)c2cccc3nccnc32)C[C@H]1c1ccccc1 ZINC000091935015 218091134 /nfs/dbraw/zinc/09/11/34/218091134.db2.gz LECXHCRWMGCWES-JKSUJKDBSA-N -1 0 347.374 2.570 50 0 EFAARM CCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(CC(C)C)nn2C)C1 ZINC000091859963 218078809 /nfs/dbraw/zinc/07/88/09/218078809.db2.gz IVOGGQAZDFGKEB-GOSISDBHSA-N -1 0 335.448 2.726 50 0 EFAARM CCCSCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](C(=O)[O-])C1 ZINC000092077311 218115820 /nfs/dbraw/zinc/11/58/20/218115820.db2.gz FSGGJKZZWGRZLV-UONOGXRCSA-N -1 0 325.405 2.596 50 0 EFAARM Cc1cc(C)nc([N-]c2n[nH]c(-c3sc4ncccc4c3N)n2)n1 ZINC000010343830 211166824 /nfs/dbraw/zinc/16/68/24/211166824.db2.gz CUBSWGLRRSOZKE-UHFFFAOYSA-N -1 0 338.400 2.814 50 0 EFAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)s1 ZINC000009572736 211103091 /nfs/dbraw/zinc/10/30/91/211103091.db2.gz VKEMDIJUZPBYST-UHFFFAOYSA-N -1 0 336.438 2.630 50 0 EFAARM O=c1[n-]c(Nc2ccccc2O)nnc1Cc1ccc(Cl)cc1 ZINC000009303518 211062623 /nfs/dbraw/zinc/06/26/23/211062623.db2.gz JKANLEVEKBXVEL-UHFFFAOYSA-N -1 0 328.759 2.858 50 0 EFAARM CCc1c(C)nc2c(-c3ccc(OC)cc3)c(COC)[n-]n2c1=O ZINC000009261091 211060172 /nfs/dbraw/zinc/06/01/72/211060172.db2.gz LUEVTKBEOFAWPK-UHFFFAOYSA-N -1 0 327.384 2.715 50 0 EFAARM O=C([N-]c1nnc(SCc2ccccc2)s1)c1csnn1 ZINC000009250835 211058753 /nfs/dbraw/zinc/05/87/53/211058753.db2.gz APJDIKGDPQUJHJ-UHFFFAOYSA-N -1 0 335.439 2.934 50 0 EFAARM COc1cc(OC)c(S(=O)(=O)[N-]c2ccc(C)cc2)cc1OC ZINC000094992888 218271760 /nfs/dbraw/zinc/27/17/60/218271760.db2.gz RNINWYZMPBTOTF-UHFFFAOYSA-N -1 0 337.397 2.822 50 0 EFAARM COc1ccc(Cc2n[n-]c(N[C@@H](C)c3ccccc3)nc2=O)cc1 ZINC000009168782 211049409 /nfs/dbraw/zinc/04/94/09/211049409.db2.gz TWRCRXUKPBQKIQ-ZDUSSCGKSA-N -1 0 336.395 2.937 50 0 EFAARM COc1ccc(OC)c(-n2cc(C(=O)[O-])c3ccccc3c2=O)c1 ZINC000095095471 218280660 /nfs/dbraw/zinc/28/06/60/218280660.db2.gz PMDFQOPDMNBTHJ-UHFFFAOYSA-N -1 0 325.320 2.706 50 0 EFAARM O=C([O-])c1cc(-c2ccccc2)nc2c1c(=O)[nH]c(=S)n2C1CC1 ZINC000020604085 304219599 /nfs/dbraw/zinc/21/95/99/304219599.db2.gz MHYKIJMCYOELGZ-UHFFFAOYSA-N -1 0 339.376 2.780 50 0 EFAARM CCCC[C@H](NC(=O)c1cc2c([nH]1)c(OC)ccc2OC)C(=O)[O-] ZINC000009134175 211042415 /nfs/dbraw/zinc/04/24/15/211042415.db2.gz OPLIOEGOJSQEKG-NSHDSACASA-N -1 0 334.372 2.558 50 0 EFAARM O=C([O-])c1cc(-c2cccnc2)nc2c1cnn2Cc1cccnc1 ZINC000009118004 211043314 /nfs/dbraw/zinc/04/33/14/211043314.db2.gz RNXOXFBHXURJHO-UHFFFAOYSA-N -1 0 331.335 2.635 50 0 EFAARM Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)n1 ZINC000095355624 218289577 /nfs/dbraw/zinc/28/95/77/218289577.db2.gz KPJSLZAHLIOPBK-QGZVFWFLSA-N -1 0 341.411 2.604 50 0 EFAARM Cc1ncn(CC(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)c1C ZINC000095366252 218299537 /nfs/dbraw/zinc/29/95/37/218299537.db2.gz QBSJJKPICZATFR-QGZVFWFLSA-N -1 0 341.411 2.604 50 0 EFAARM CC(C)Cn1cncc1Cn1cc(-c2ccccc2C(=O)[O-])nn1 ZINC000095367584 218299796 /nfs/dbraw/zinc/29/97/96/218299796.db2.gz ZPQZHYOHXMMNND-UHFFFAOYSA-N -1 0 325.372 2.544 50 0 EFAARM Cc1ncncc1C(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095376372 218308587 /nfs/dbraw/zinc/30/85/87/218308587.db2.gz YZAYOJPNWTZEQT-OAHLLOKOSA-N -1 0 325.368 2.503 50 0 EFAARM Cc1cc(CC(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)on1 ZINC000095371816 218304042 /nfs/dbraw/zinc/30/40/42/218304042.db2.gz VJVMYLAFSMFSOR-OAHLLOKOSA-N -1 0 328.368 2.630 50 0 EFAARM Cc1cc(CC(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)on1 ZINC000095371815 218304202 /nfs/dbraw/zinc/30/42/02/218304202.db2.gz VJVMYLAFSMFSOR-HNNXBMFYSA-N -1 0 328.368 2.630 50 0 EFAARM Cc1cc(CC(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)on1 ZINC000095373134 218305522 /nfs/dbraw/zinc/30/55/22/218305522.db2.gz VHASCKGRWJMTPH-HNNXBMFYSA-N -1 0 328.368 2.630 50 0 EFAARM COc1cc(C)cc(OC)c1[C@@H](C(=O)[O-])N(C)Cc1cc(C)no1 ZINC000095377358 218309712 /nfs/dbraw/zinc/30/97/12/218309712.db2.gz SAEDKARZTIPOCW-INIZCTEOSA-N -1 0 334.372 2.566 50 0 EFAARM CC(C)c1nnc(N2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)s1 ZINC000095376813 218310371 /nfs/dbraw/zinc/31/03/71/218310371.db2.gz CQYIAYDHEMOBHI-SJKOYZFVSA-N -1 0 345.424 2.729 50 0 EFAARM Cc1ncncc1C(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095376371 218308987 /nfs/dbraw/zinc/30/89/87/218308987.db2.gz YZAYOJPNWTZEQT-HNNXBMFYSA-N -1 0 325.368 2.503 50 0 EFAARM Cc1nn(C)c(C)c1C(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095392709 218323617 /nfs/dbraw/zinc/32/36/17/218323617.db2.gz OPDDYZQDJWNUNZ-INIZCTEOSA-N -1 0 341.411 2.755 50 0 EFAARM CCCn1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2F)c(C)n1 ZINC000095508642 218420471 /nfs/dbraw/zinc/42/04/71/218420471.db2.gz ALTDIQNYLBWOOI-HNNXBMFYSA-N -1 0 333.363 2.686 50 0 EFAARM O=C([O-])c1cc(I)ccc1Br ZINC000002149845 304225367 /nfs/dbraw/zinc/22/53/67/304225367.db2.gz QPKKBDSNZFSSOD-UHFFFAOYSA-N -1 0 326.915 2.752 50 0 EFAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)cc2F)c1 ZINC000007709536 210835331 /nfs/dbraw/zinc/83/53/31/210835331.db2.gz VUZKMDJKHRXQMF-UHFFFAOYSA-N -1 0 341.335 2.942 50 0 EFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(C)ccc1OC ZINC000006913910 210741698 /nfs/dbraw/zinc/74/16/98/210741698.db2.gz MIGXELYVQDMLFA-UHFFFAOYSA-N -1 0 341.410 2.653 50 0 EFAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000006725420 210692473 /nfs/dbraw/zinc/69/24/73/210692473.db2.gz GELDDCZLWZAGHR-VVUBSENTSA-N -1 0 331.368 2.533 50 0 EFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(C)(C)C)on2)c1 ZINC000006697267 210682986 /nfs/dbraw/zinc/68/29/86/210682986.db2.gz FGUQPWPUQLKCEP-UHFFFAOYSA-N -1 0 340.401 2.790 50 0 EFAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000005936504 210562657 /nfs/dbraw/zinc/56/26/57/210562657.db2.gz BILLQYVXECCAGP-CVEARBPZSA-N -1 0 348.830 2.656 50 0 EFAARM O=C([O-])c1ccc(I)c(OC(F)(F)F)c1 ZINC000016159785 304245791 /nfs/dbraw/zinc/24/57/91/304245791.db2.gz YZYRBLQNCPKVHL-UHFFFAOYSA-N -1 0 332.015 2.888 50 0 EFAARM CCOc1cc(S(=O)(=O)[N-]c2cccnc2)c(OCC)cc1C ZINC000004970405 210343115 /nfs/dbraw/zinc/34/31/15/210343115.db2.gz PYYKHSXRDCMSAG-UHFFFAOYSA-N -1 0 336.413 2.988 50 0 EFAARM O=C([O-])c1cccc(Br)c1I ZINC000062826849 304255408 /nfs/dbraw/zinc/25/54/08/304255408.db2.gz RBFCXOXAEIWXRW-UHFFFAOYSA-N -1 0 326.915 2.752 50 0 EFAARM CCOC(=O)c1sc([N-]S(=O)(=O)Cc2ccccc2)nc1C ZINC000004914088 210320804 /nfs/dbraw/zinc/32/08/04/210320804.db2.gz XSFHYGACNZRNQL-UHFFFAOYSA-N -1 0 340.426 2.570 50 0 EFAARM COC(=O)c1cc(C)sc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000004902113 210317627 /nfs/dbraw/zinc/31/76/27/210317627.db2.gz PCPHGFITLOYTLU-NXEZZACHSA-N -1 0 325.386 2.673 50 0 EFAARM Cc1nc(-c2ccccc2)[nH]c1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000097259300 219006607 /nfs/dbraw/zinc/00/66/07/219006607.db2.gz LGXVNVQKPBPGDN-LSDHHAIUSA-N -1 0 339.395 2.568 50 0 EFAARM COc1ccc(Cl)cc1S(=O)(=O)NCCc1ccccc1 ZINC000004858303 210303937 /nfs/dbraw/zinc/30/39/37/210303937.db2.gz AZACCRYHXAOTME-UHFFFAOYSA-N -1 0 325.817 2.870 50 0 EFAARM COc1cccc(O[C@@H](C)c2nc(-c3ccco3)nn2CC(=O)[O-])c1 ZINC000097578524 219036057 /nfs/dbraw/zinc/03/60/57/219036057.db2.gz YKADQYUEJBXNSR-NSHDSACASA-N -1 0 343.339 2.771 50 0 EFAARM CC(C)=CCC/C(C)=C\CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O ZINC000004756044 210271663 /nfs/dbraw/zinc/27/16/63/210271663.db2.gz QUOGRGMWDHAAQO-QCZALSTBSA-N -1 0 331.412 2.546 50 0 biogenic EFAARM O=C([O-])c1cccc(I)c1Br ZINC000039326015 304260717 /nfs/dbraw/zinc/26/07/17/304260717.db2.gz SLQSFNIMAOUADF-UHFFFAOYSA-N -1 0 326.915 2.752 50 0 EFAARM O=c1c2ccccc2[n-]c(=S)n1C[C@H]1COc2ccccc2O1 ZINC000002812136 285210438 /nfs/dbraw/zinc/21/04/38/285210438.db2.gz FLCMAKAVYCIASK-NSHDSACASA-N -1 0 326.377 2.899 50 0 EFAARM O=C([O-])c1ccccc1N1C(=O)c2ccc(Br)cc2C1=O ZINC000000055185 304269606 /nfs/dbraw/zinc/26/96/06/304269606.db2.gz TZYBWCVCNGCYJD-UHFFFAOYSA-N -1 0 346.136 2.948 50 0 EFAARM O=C([O-])c1ccnc(-c2ccnc(COc3ccc(F)cc3)n2)c1 ZINC000071750128 304273091 /nfs/dbraw/zinc/27/30/91/304273091.db2.gz DIJQCJKLJDVFDG-UHFFFAOYSA-N -1 0 325.299 2.955 50 0 EFAARM CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)[O-])N1C(=O)OC(C)(C)C ZINC000039027927 257900035 /nfs/dbraw/zinc/90/00/35/257900035.db2.gz MLXHSDCSBUGOLZ-JTQLQIEISA-N -1 0 330.381 2.623 50 0 EFAARM O=C([O-])[C@@]12CN(C(=O)c3cn[nH]c3)C[C@@H]1C[C@@H](c1ccccc1)CC2 ZINC000299768331 258082956 /nfs/dbraw/zinc/08/29/56/258082956.db2.gz TYEMZHZXUQUAEE-QOKNQOGYSA-N -1 0 339.395 2.520 50 0 EFAARM COCc1c(C(=O)[O-])c(=O)cc(C)n1CCc1cccc(Cl)c1 ZINC000299785374 258092230 /nfs/dbraw/zinc/09/22/30/258092230.db2.gz YJQOVVQYXGIVLN-UHFFFAOYSA-N -1 0 335.787 2.897 50 0 EFAARM O=C([O-])CN1c2cc3c(cc2CN(C2CCCCC2)C1=O)OCO3 ZINC000299788722 258094902 /nfs/dbraw/zinc/09/49/02/258094902.db2.gz XEGCINJMAHZUTF-UHFFFAOYSA-N -1 0 332.356 2.575 50 0 EFAARM CCOCCOc1ccccc1C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000299794326 258099332 /nfs/dbraw/zinc/09/93/32/258099332.db2.gz IVGOTLHKUYDBAO-CQSZACIVSA-N -1 0 335.400 2.571 50 0 EFAARM CC(C)(C)OC(=O)N[C@@H](CCC(=O)OC1CCCCC1)C(=O)[O-] ZINC000002539203 258049817 /nfs/dbraw/zinc/04/98/17/258049817.db2.gz FDNMLANBNJDIRG-LBPRGKRZSA-N -1 0 329.393 2.620 50 0 EFAARM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N(C)Cc1nc2c(s1)CCCC2 ZINC000299762345 258079329 /nfs/dbraw/zinc/07/93/29/258079329.db2.gz UKAAJPWZXCAABG-UHFFFAOYSA-N -1 0 347.440 2.937 50 0 EFAARM C[C@@H](NC(=O)CCc1cc(Br)cs1)[C@H](C)C(=O)[O-] ZINC000263452639 141395468 /nfs/dbraw/zinc/39/54/68/141395468.db2.gz OLAINFDPTVLQTR-JGVFFNPUSA-N -1 0 334.235 2.669 50 0 EFAARM C[C@H](NC(=O)CCc1cc(Br)cs1)[C@H](C)C(=O)[O-] ZINC000263452654 141396064 /nfs/dbraw/zinc/39/60/64/141396064.db2.gz OLAINFDPTVLQTR-YUMQZZPRSA-N -1 0 334.235 2.669 50 0 EFAARM CCc1cc(C(=O)OC)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])s1 ZINC000002759079 288520444 /nfs/dbraw/zinc/52/04/44/288520444.db2.gz WHHHZIQDUZQHJX-WDEREUQCSA-N -1 0 337.397 2.703 50 0 EFAARM CCc1cc(C(=O)OC)c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000000214882 288520458 /nfs/dbraw/zinc/52/04/58/288520458.db2.gz VMQUYEBCLBBMKM-QWRGUYRKSA-N -1 0 339.413 2.927 50 0 EFAARM COc1ccc(-n2c(=O)c(C(=O)[O-])cc3c2CC(C)(C)CC3=O)cc1 ZINC000000194501 295050721 /nfs/dbraw/zinc/05/07/21/295050721.db2.gz GNKKRLWBXDEIKX-UHFFFAOYSA-N -1 0 341.363 2.699 50 0 EFAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1[C@@H]1OC(=O)c2ccccc21 ZINC000005818088 300896423 /nfs/dbraw/zinc/89/64/23/300896423.db2.gz OHRRAFUHDWTHIV-MRXNPFEDSA-N -1 0 346.346 2.610 50 0 EFAARM O=c1c2[n-][nH]n(-c3ccccc3)c=2c(=O)n1-c1cccc(Cl)c1 ZINC000101144807 304706168 /nfs/dbraw/zinc/70/61/68/304706168.db2.gz HWVJBVZORFGBDO-KGLIPLIRSA-N -1 0 326.743 2.838 50 0 EFAARM Cc1ccn(-c2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc2)n1 ZINC000012463170 302249202 /nfs/dbraw/zinc/24/92/02/302249202.db2.gz KTAFSCILAPJFID-JKSUJKDBSA-N -1 0 325.368 2.786 50 0 EFAARM Cc1ccnc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CCC4)c1 ZINC000100613849 302278155 /nfs/dbraw/zinc/27/81/55/302278155.db2.gz YFZUPOSVMDKCAI-UHFFFAOYSA-N -1 0 335.363 2.609 50 0 EFAARM COc1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)c(OC)cc1C ZINC000041095689 472044255 /nfs/dbraw/zinc/04/42/55/472044255.db2.gz HHUAZFLIAUFFRX-UHFFFAOYSA-N -1 0 342.804 2.861 50 0 EFAARM CCCn1ncc(C(=O)N[C@]2(C(=O)[O-])CCCc3ccccc32)c1C ZINC000095506841 473215263 /nfs/dbraw/zinc/21/52/63/473215263.db2.gz DHOGNAMGXPRVQU-LJQANCHMSA-N -1 0 341.411 2.648 50 0 EFAARM Cc1ccc2nc(C(=O)N[C@@H](C(=O)[O-])c3ccc(Cl)cc3)cn2c1 ZINC000095512400 473218013 /nfs/dbraw/zinc/21/80/13/473218013.db2.gz BBSJQYJXUNKJLM-OAHLLOKOSA-N -1 0 343.770 2.852 50 0 EFAARM Cc1ccc(C(=O)[O-])c(N2CCCN(c3ccc(F)cc3)CC2)n1 ZINC000096180920 473323189 /nfs/dbraw/zinc/32/31/89/473323189.db2.gz UJKBHORCGPLVLJ-UHFFFAOYSA-N -1 0 329.375 2.944 50 0 EFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4C)c=3c2=O)cc1 ZINC000096286241 473371088 /nfs/dbraw/zinc/37/10/88/473371088.db2.gz ZAQFVHFYWCPXFL-SJORKVTESA-N -1 0 334.379 2.797 50 0 EFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C)c4)c=3c2=O)cc1 ZINC000096286243 473371194 /nfs/dbraw/zinc/37/11/94/473371194.db2.gz DYQZMSFZQFUPGV-IRXDYDNUSA-N -1 0 334.379 2.797 50 0 EFAARM COc1ccc(S(=O)(=O)[N-]c2nnc(CC(C)C)s2)cc1 ZINC000000001519 471318013 /nfs/dbraw/zinc/31/80/13/471318013.db2.gz LZCBNYVJTNCPDR-UHFFFAOYSA-N -1 0 327.431 2.546 50 0 in-man EFAARM Cc1cc(NC(=O)N=C([O-])C(F)(F)F)ccc1Br ZINC000000081881 471320588 /nfs/dbraw/zinc/32/05/88/471320588.db2.gz YHCOEYIKRVGAME-UHFFFAOYSA-N -1 0 325.084 2.968 50 0 EFAARM COC(=O)c1sc(-c2cccs2)cc1NC(=O)/C=C/C(=O)[O-] ZINC000000119305 471325181 /nfs/dbraw/zinc/32/51/81/471325181.db2.gz GJODSFZNKNHKML-SNAWJCMRSA-N -1 0 337.378 2.843 50 0 in-vitro EFAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(OC)ccc1OC ZINC000000141400 471328491 /nfs/dbraw/zinc/32/84/91/471328491.db2.gz AZVITPXVVAAXRW-UHFFFAOYSA-N -1 0 337.397 2.903 50 0 EFAARM Cn1nc(C2CC2)cc1NC(=O)C[C@H](CC(=O)[O-])c1ccccc1 ZINC000000152789 471329153 /nfs/dbraw/zinc/32/91/53/471329153.db2.gz FTOSQWOFUTXEBS-CQSZACIVSA-N -1 0 327.384 2.885 50 0 EFAARM NN=c1ncc(C(=O)OCc2ccc(Cl)cc2)c(C(F)(F)F)[n-]1 ZINC000000160005 471329661 /nfs/dbraw/zinc/32/96/61/471329661.db2.gz GAZJHYLRVKLLFC-UHFFFAOYSA-N -1 0 346.696 2.791 50 0 EFAARM CCOc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000000189703 471332428 /nfs/dbraw/zinc/33/24/28/471332428.db2.gz LJTGJTSUSCETCP-INIZCTEOSA-N -1 0 349.408 2.580 50 0 EFAARM CCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000279608 471342545 /nfs/dbraw/zinc/34/25/45/471342545.db2.gz GAISGRLSSUTNHJ-UHFFFAOYSA-N -1 0 348.428 2.652 50 0 EFAARM COc1cccc2cc(C(=O)Nc3cccc(C(=O)[O-])c3)c(=O)oc21 ZINC000000281315 471342576 /nfs/dbraw/zinc/34/25/76/471342576.db2.gz MYHZXLJKBYGJLC-UHFFFAOYSA-N -1 0 339.303 2.752 50 0 EFAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1 ZINC000000287674 471343568 /nfs/dbraw/zinc/34/35/68/471343568.db2.gz QPDFJASBWQRBQD-UHFFFAOYSA-N -1 0 341.392 2.994 50 0 EFAARM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccccc1F ZINC000000311030 471345972 /nfs/dbraw/zinc/34/59/72/471345972.db2.gz VIHXFNVLHORNAN-UHFFFAOYSA-N -1 0 348.355 2.659 50 0 EFAARM Cc1c(NC(=S)NC(=O)c2ccc(F)cc2)cccc1C(=O)[O-] ZINC000000311300 471346990 /nfs/dbraw/zinc/34/69/90/471346990.db2.gz DBEKQEZTHILOSQ-UHFFFAOYSA-N -1 0 332.356 2.959 50 0 EFAARM COc1ccc(C)cc1S(=O)(=O)N(CC(=O)[O-])c1ccc(C)cc1 ZINC000000366636 471352029 /nfs/dbraw/zinc/35/20/29/471352029.db2.gz YROGTBRPYLLJGG-UHFFFAOYSA-N -1 0 349.408 2.592 50 0 EFAARM COc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2ccco2)C1 ZINC000000376041 471352514 /nfs/dbraw/zinc/35/25/14/471352514.db2.gz NARIVMLVRMYFLW-AWEZNQCLSA-N -1 0 342.351 2.831 50 0 EFAARM COc1ccc(C)cc1N(CC(=O)[O-])S(=O)(=O)c1ccc(C)cc1 ZINC000000379429 471352871 /nfs/dbraw/zinc/35/28/71/471352871.db2.gz XHKZNQPUPAJKTR-UHFFFAOYSA-N -1 0 349.408 2.592 50 0 EFAARM CCC(=O)Oc1cccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)c1 ZINC000000406825 471354569 /nfs/dbraw/zinc/35/45/69/471354569.db2.gz MHZAYVALPURDON-UHFFFAOYSA-N -1 0 339.303 2.501 50 0 EFAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)NCc1ccccc1 ZINC000000425378 471359089 /nfs/dbraw/zinc/35/90/89/471359089.db2.gz DBCWCMNBVAARRM-UHFFFAOYSA-N -1 0 339.420 2.766 50 0 EFAARM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000000470387 471364446 /nfs/dbraw/zinc/36/44/46/471364446.db2.gz XKFFTCGNXULCEZ-UHFFFAOYSA-N -1 0 331.802 2.989 50 0 EFAARM Cc1cccc(-c2nnc(SCc3ccc(C(=O)[O-])cc3)n2N)c1 ZINC000000532029 471369138 /nfs/dbraw/zinc/36/91/38/471369138.db2.gz GYUNMFKJRYJPNM-UHFFFAOYSA-N -1 0 340.408 2.958 50 0 EFAARM CCOc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000000543148 471369527 /nfs/dbraw/zinc/36/95/27/471369527.db2.gz NPCBVSDOPNTONA-INIZCTEOSA-N -1 0 328.368 2.903 50 0 EFAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(OC(=O)c3ccccc3)cc2)N1 ZINC000000565304 471371874 /nfs/dbraw/zinc/37/18/74/471371874.db2.gz WDULMLZFVDBMJZ-GJZGRUSLSA-N -1 0 329.377 2.694 50 0 EFAARM O=C([O-])CCCC(=O)Nc1ccc(C(=O)Nc2ccccn2)cc1 ZINC000000794592 471376275 /nfs/dbraw/zinc/37/62/75/471376275.db2.gz KABYXPZHOZNVJN-UHFFFAOYSA-N -1 0 327.340 2.527 50 0 EFAARM COc1cc(=O)c2c([O-])c(O)c(-c3ccc(OC)c(O)c3)oc-2c1 ZINC000001645590 471395022 /nfs/dbraw/zinc/39/50/22/471395022.db2.gz BWORNNDZQGOKBY-UHFFFAOYSA-N -1 0 330.292 2.594 50 0 biogenic,in-vitro EFAARM CCOC(=O)c1cnc2ccc(OC)cc2c1NCCCC(=O)[O-] ZINC000001778814 471398130 /nfs/dbraw/zinc/39/81/30/471398130.db2.gz QACNZQFZCWQHSU-UHFFFAOYSA-N -1 0 332.356 2.697 50 0 EFAARM CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000002244130 471404131 /nfs/dbraw/zinc/40/41/31/471404131.db2.gz FBUDYESOPLBQIR-NSHDSACASA-N -1 0 344.205 2.970 50 0 EFAARM CCOC(=O)[C@@]([N-]c1ccccc1Cl)(NC(C)=O)C(F)(F)F ZINC000002322853 471405772 /nfs/dbraw/zinc/40/57/72/471405772.db2.gz GMJXGVZXUCRKCC-LBPRGKRZSA-N -1 0 338.713 2.710 50 0 EFAARM COc1ccc(-n2c(Cn3nnc4ccccc43)n[n-]c2=S)cc1 ZINC000002523219 471409898 /nfs/dbraw/zinc/40/98/98/471409898.db2.gz WBISDWYGOTUECT-UHFFFAOYSA-N -1 0 338.396 2.731 50 0 EFAARM CCCCCOC(=O)c1[nH]c2c(c1C)C([O-])=C(C(=O)OC)[C@@H](C)C2 ZINC000002499373 471410159 /nfs/dbraw/zinc/41/01/59/471410159.db2.gz CHOHAKUYRSDKKL-GXFFZTMASA-N -1 0 335.400 2.834 50 0 EFAARM Cc1cccc(N2CCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])CC2)c1C ZINC000002739751 471418588 /nfs/dbraw/zinc/41/85/88/471418588.db2.gz ZVGUBMKKWJOTDE-DLBZAZTESA-N -1 0 342.439 2.619 50 0 EFAARM NC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCCCCC2 ZINC000002753238 471419070 /nfs/dbraw/zinc/41/90/70/471419070.db2.gz VKGPDAGOBWZVQZ-UHFFFAOYSA-N -1 0 338.429 2.699 50 0 EFAARM Cc1ccc(Cn2cnc([N-]S(=O)(=O)c3ccc(F)cc3)n2)cc1 ZINC000002779251 471420227 /nfs/dbraw/zinc/42/02/27/471420227.db2.gz NQQGHKGSVYVXST-UHFFFAOYSA-N -1 0 346.387 2.575 50 0 EFAARM Cc1ccc(S(=O)(=O)[N-]c2ncn(Cc3ccccc3F)n2)cc1 ZINC000002780963 471421817 /nfs/dbraw/zinc/42/18/17/471421817.db2.gz WVHGMPRFCRERPD-UHFFFAOYSA-N -1 0 346.387 2.575 50 0 EFAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1F ZINC000002808000 471423482 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CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OC)cc1 ZINC000005214484 471492975 /nfs/dbraw/zinc/49/29/75/471492975.db2.gz ITJVHTRFZKEBEP-UHFFFAOYSA-N -1 0 335.381 2.673 50 0 EFAARM Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1N1CCCC1=O ZINC000005329581 471499580 /nfs/dbraw/zinc/49/95/80/471499580.db2.gz HZDCDNMVGQFGCB-UHFFFAOYSA-N -1 0 336.438 2.984 50 0 EFAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1 ZINC000005582416 471512238 /nfs/dbraw/zinc/51/22/38/471512238.db2.gz XZUQYCCKHAERKD-UHFFFAOYSA-N -1 0 341.335 2.942 50 0 EFAARM O=C([O-])Cc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000005598865 471512893 /nfs/dbraw/zinc/51/28/93/471512893.db2.gz DYJXSXYZCPNLFS-UHFFFAOYSA-N -1 0 325.773 2.768 50 0 EFAARM COc1ccc2c([O-])c(-c3ccc4c(c3)OCCO4)c(=O)oc2c1 ZINC000005729829 471518798 /nfs/dbraw/zinc/51/87/98/471518798.db2.gz DJXHMHZLUGAFSE-UHFFFAOYSA-N -1 0 326.304 2.945 50 0 EFAARM O=C([O-])c1cccc(NC(=O)CCCC(=O)OCC(F)(F)F)c1 ZINC000005749929 471520487 /nfs/dbraw/zinc/52/04/87/471520487.db2.gz QXOJJXUHFYRXEP-UHFFFAOYSA-N -1 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CC(C)C[C@H](NC(=O)CSc1cn(C)c2ccccc12)C(=O)[O-] ZINC000426621644 477728315 /nfs/dbraw/zinc/72/83/15/477728315.db2.gz LUWAYDROJWRGJD-ZDUSSCGKSA-N -1 0 334.441 2.886 50 0 EFAARM CC(C)[C@@H](CC(=O)[O-])NC(=O)N(C)Cc1cccc2cnccc21 ZINC000426678141 477737508 /nfs/dbraw/zinc/73/75/08/477737508.db2.gz QIESEEHECAQJAR-MRXNPFEDSA-N -1 0 329.400 2.876 50 0 EFAARM Cc1cc(C(=O)[O-])nc(-c2ccc([C@H](C)N3CCOCC3)cc2)n1 ZINC000534592246 478161969 /nfs/dbraw/zinc/16/19/69/478161969.db2.gz SXAYDQZWPJPXEW-ZDUSSCGKSA-N -1 0 327.384 2.543 50 0 EFAARM COc1cc(CN(C)Cc2ccccc2F)ccc1OCC(=O)[O-] ZINC000534643509 478164522 /nfs/dbraw/zinc/16/45/22/478164522.db2.gz YTFHLUUPLZRLCI-UHFFFAOYSA-N -1 0 333.359 2.930 50 0 EFAARM COCCn1c2ccc(C(=O)[O-])cc2nc1-c1cccc2c1OCC2 ZINC000534668485 478168385 /nfs/dbraw/zinc/16/83/85/478168385.db2.gz LGPOCGPJPBCHLJ-UHFFFAOYSA-N -1 0 338.363 2.983 50 0 EFAARM O=C([O-])[C@@H]1Cc2c3ccccc3[nH]c2CN1C(=O)c1cccn1C1CC1 ZINC000534667767 478168790 /nfs/dbraw/zinc/16/87/90/478168790.db2.gz 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ZINC001772703371 1249287645 /nfs/dbraw/zinc/28/76/45/1249287645.db2.gz KRESXIDCIZVGTG-NSHDSACASA-N -1 0 345.432 2.932 50 0 EFAARM CCCCc1ccc(NC(=O)N2C[C@@H]3COCC[C@]3(C(=O)[O-])C2)cc1 ZINC001772709538 1249296585 /nfs/dbraw/zinc/29/65/85/1249296585.db2.gz KWAWNRYGGGVCRX-BEFAXECRSA-N -1 0 346.427 2.984 50 0 EFAARM CC[C@@H](C)[C@@H](NC(=O)CCn1ccc2cc(OC)ccc21)C(=O)[O-] ZINC000207894564 1249488607 /nfs/dbraw/zinc/48/86/07/1249488607.db2.gz SXNVCHDJRLCHSL-SJKOYZFVSA-N -1 0 332.400 2.656 50 0 EFAARM CCN(CC1CCOCC1)C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000823054318 1265221088 /nfs/dbraw/zinc/22/10/88/1265221088.db2.gz RAVHAJNQKAYCBG-MRXNPFEDSA-N -1 0 334.416 2.661 50 0 EFAARM CCN(CC1CCOCC1)C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000823054317 1265221129 /nfs/dbraw/zinc/22/11/29/1265221129.db2.gz RAVHAJNQKAYCBG-INIZCTEOSA-N -1 0 334.416 2.661 50 0 EFAARM COc1nc(C)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c(C)n1 ZINC000585436118 1281868962 /nfs/dbraw/zinc/86/89/62/1281868962.db2.gz SVWJRKUGPSLRAZ-UHFFFAOYSA-N -1 0 345.783 2.695 50 0 EFAARM Cc1ccc([C@@H](C(=O)[O-])N(C)Cc2ccccn2)c(-n2cccn2)c1 ZINC000095368379 1292080655 /nfs/dbraw/zinc/08/06/55/1292080655.db2.gz RVZCNHLYIUQKPQ-SFHVURJKSA-N -1 0 336.395 2.833 50 0 EFAARM Cc1cc([C@@H](C(=O)[O-])N2CCN(Cc3ccco3)CC2)ccc1F ZINC001506421478 1405760719 /nfs/dbraw/zinc/76/07/19/1405760719.db2.gz QBIXNNFEGAWETF-KRWDZBQOSA-N -1 0 332.375 2.671 50 0 EFAARM COc1cc(-c2onc(NCC(C)(C)CO)c2C(=O)[O-])ccc1F ZINC001704312794 1417904902 /nfs/dbraw/zinc/90/49/02/1417904902.db2.gz BAJVXFBBNQULLI-UHFFFAOYSA-N -1 0 338.335 2.618 50 0 EFAARM CC[C@H](CNc1noc(-c2ccccc2)c1C(=O)[O-])N1CCOCC1 ZINC001704333706 1417909239 /nfs/dbraw/zinc/90/92/39/1417909239.db2.gz FEHZOYDMWRUTFG-CQSZACIVSA-N -1 0 345.399 2.563 50 0 EFAARM CC(C)c1nccc(-c2nccn2Cc2cccc(-c3nn[n-]n3)c2)n1 ZINC000077438024 1423385218 /nfs/dbraw/zinc/38/52/18/1423385218.db2.gz RWCORYWCYXQQCE-UHFFFAOYSA-N -1 0 346.398 2.692 50 0 EFAARM Cc1ccccc1CC1(NC(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000097604300 1423634226 /nfs/dbraw/zinc/63/42/26/1423634226.db2.gz FWRNVJXMVMWVSO-UHFFFAOYSA-N -1 0 333.395 2.680 50 0 EFAARM CC(C)CCC[C@@H]1CN(C(=O)c2ccccc2-c2nn[n-]n2)CCO1 ZINC000071498859 1423804958 /nfs/dbraw/zinc/80/49/58/1423804958.db2.gz FIBHBVDQFUMEDF-CQSZACIVSA-N -1 0 343.431 2.534 50 0 EFAARM CC(C)c1cc(N(C)Cc2cccc(-c3nn[n-]n3)c2)n2nccc2n1 ZINC000072167152 1424155084 /nfs/dbraw/zinc/15/50/84/1424155084.db2.gz RNKMGJPWUCVMOM-UHFFFAOYSA-N -1 0 348.414 2.669 50 0 EFAARM O=C(C[C@@H](c1cccc2ccccc21)n1cccc1)Nc1nnn[n-]1 ZINC000263588174 1424472344 /nfs/dbraw/zinc/47/23/44/1424472344.db2.gz QBGLQSNKJAFAGQ-INIZCTEOSA-N -1 0 332.367 2.773 50 0 EFAARM CS(=O)(=O)C1=C([O-])C(=O)N(c2ccccc2)[C@@H]1c1ccc(F)cc1 ZINC000022215359 714016614 /nfs/dbraw/zinc/01/66/14/714016614.db2.gz FDQXBEJKROSSAB-CQSZACIVSA-N -1 0 347.367 2.728 50 0 EFAARM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2 ZINC000320814810 724929419 /nfs/dbraw/zinc/92/94/19/724929419.db2.gz BCAOFSHJEHVBQW-UHFFFAOYSA-N -1 0 333.369 2.754 50 0 EFAARM CCn1c(=O)c(C(=O)Nc2ncc(C)s2)c([O-])c2ccccc21 ZINC000006520110 1098100838 /nfs/dbraw/zinc/10/08/38/1098100838.db2.gz OOJRWTWFTVKWLD-UHFFFAOYSA-N -1 0 329.381 2.744 50 0 EFAARM COc1ccc(-c2cn3cc(NC(=O)CCC(=O)[O-])ccc3n2)cc1 ZINC000031958678 1111115892 /nfs/dbraw/zinc/11/58/92/1111115892.db2.gz SNGIIMVGBKRQCQ-UHFFFAOYSA-N -1 0 339.351 2.813 50 0 EFAARM CCCNC(=O)c1ccccc1[N-]S(=O)(=O)Cc1ccccc1 ZINC000004731643 210263259 /nfs/dbraw/zinc/26/32/59/210263259.db2.gz PUFRUUODQOUHBV-UHFFFAOYSA-N -1 0 332.425 2.768 50 0 EFAARM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000052508248 214131346 /nfs/dbraw/zinc/13/13/46/214131346.db2.gz ZHOWDGHEJAOBGL-WDEREUQCSA-N -1 0 344.408 2.569 50 0 EFAARM O=C([O-])Cn1nc(C2CC2)nc1CCc1nc2ccccc2s1 ZINC000097675215 219046923 /nfs/dbraw/zinc/04/69/23/219046923.db2.gz WTCZIPVCNRTYIL-UHFFFAOYSA-N -1 0 328.397 2.635 50 0 EFAARM COc1cc(/C=C(\NC(C)=O)C(=O)[O-])ccc1OCc1ccccc1 ZINC000004701635 210253055 /nfs/dbraw/zinc/25/30/55/210253055.db2.gz RPRPOAYOVXUANR-YBEGLDIGSA-N -1 0 341.363 2.836 50 0 EFAARM CCOc1ccc(C(=O)CCC(=O)N2CCC(C(=O)[O-])CC2)cc1C ZINC000055089712 214271198 /nfs/dbraw/zinc/27/11/98/214271198.db2.gz RRFKZECZGKNEOO-UHFFFAOYSA-N -1 0 347.411 2.680 50 0 EFAARM O=C([O-])c1cnc2c(c1)n(C[C@H]1CCCO1)c(=O)n2C1CCCCC1 ZINC000055108935 214274833 /nfs/dbraw/zinc/27/48/33/214274833.db2.gz CZKCOEGAGMFDJY-CQSZACIVSA-N -1 0 345.399 2.580 50 0 EFAARM CCc1nc(CN(C)[C@H](C(=O)[O-])c2ccc(OC(C)C)cc2)no1 ZINC000055131171 214277291 /nfs/dbraw/zinc/27/72/91/214277291.db2.gz FNUJERJURIOKRZ-INIZCTEOSA-N -1 0 333.388 2.677 50 0 EFAARM CCOc1cccc(CN(C(=O)CCc2cc(=O)[n-]o2)C2CC2)c1 ZINC000055133403 214277385 /nfs/dbraw/zinc/27/73/85/214277385.db2.gz PECFBECCSWTDEY-UHFFFAOYSA-N -1 0 330.384 2.903 50 0 EFAARM CC(C)(O)Cn1c2cc(C(=O)[O-])ccc2n(C2CCCCC2)c1=O ZINC000055269872 214298940 /nfs/dbraw/zinc/29/89/40/214298940.db2.gz JXPBXWYSZCHNNQ-UHFFFAOYSA-N -1 0 332.400 2.777 50 0 EFAARM CCN(Cc1noc(C2CC2)n1)[C@@H](C(=O)[O-])c1cc(C)ccc1OC ZINC000055404588 214319966 /nfs/dbraw/zinc/31/99/66/214319966.db2.gz IGBUHUGMUCCRRU-MRXNPFEDSA-N -1 0 345.399 2.912 50 0 EFAARM CCC[C@H](CC(=O)[O-])NC(=O)CCC(=O)Nc1cc(C)ccc1F ZINC000055403124 214320353 /nfs/dbraw/zinc/32/03/53/214320353.db2.gz NKFHFGVRHOGBCN-GFCCVEGCSA-N -1 0 338.379 2.612 50 0 EFAARM COc1cc(C(=O)[O-])cc(C(=O)N(C)Cc2cc(C)cc(C)n2)c1 ZINC000097775910 219056977 /nfs/dbraw/zinc/05/69/77/219056977.db2.gz ZNOKIOPLBAJMRJ-UHFFFAOYSA-N -1 0 328.368 2.677 50 0 EFAARM CCn1nc(C)c2[n-]c(=S)n(Cc3cccc(OC)c3)c(=O)c21 ZINC000100028513 219089183 /nfs/dbraw/zinc/08/91/83/219089183.db2.gz MTXFFABWKBEZDV-UHFFFAOYSA-N -1 0 330.413 2.641 50 0 EFAARM Cc1ccn([C@@H](CC(=O)c2ccc(Br)cc2)C(=O)[O-])n1 ZINC000004510702 210209359 /nfs/dbraw/zinc/20/93/59/210209359.db2.gz KWSRUFVZDZMRIZ-LBPRGKRZSA-N -1 0 337.173 2.853 50 0 EFAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(OC)cc2)c1=O ZINC000100446862 219099926 /nfs/dbraw/zinc/09/99/26/219099926.db2.gz VHWXTCIITNSHOH-UHFFFAOYSA-N -1 0 338.363 2.988 50 0 EFAARM O=C(Nc1ccccc1O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100662855 219104418 /nfs/dbraw/zinc/10/44/18/219104418.db2.gz PSGWTJTZBWMYBI-UHFFFAOYSA-N -1 0 336.347 2.611 50 0 biogenic EFAARM Cc1cccc(C)c1NC(=O)C([O-])=C1Sc2ccccc2NC1=O ZINC000100721387 219105224 /nfs/dbraw/zinc/10/52/24/219105224.db2.gz PFVCVQSCIDYUAH-INIZCTEOSA-N -1 0 340.404 2.924 50 0 EFAARM O=C([O-])c1cn(Cc2ccccc2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000100928044 219111653 /nfs/dbraw/zinc/11/16/53/219111653.db2.gz RTWAIJXGFAZNRW-UHFFFAOYSA-N -1 0 345.358 2.885 50 0 EFAARM CCOC(=O)c1c(NC(=O)/C=C\C(=O)[O-])sc2c1CC[C@H](C)C2 ZINC000101128102 219116841 /nfs/dbraw/zinc/11/68/41/219116841.db2.gz LEIWMYCZTYXTJQ-NMTCXDENSA-N -1 0 337.397 2.629 50 0 EFAARM COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(CC(=O)[O-])cc1 ZINC000004331324 210172974 /nfs/dbraw/zinc/17/29/74/210172974.db2.gz BHFUMEFSDYBZPR-QGZVFWFLSA-N -1 0 343.335 2.612 50 0 EFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(F)cc4)c=3c2=O)cc1 ZINC000101417397 219126609 /nfs/dbraw/zinc/12/66/09/219126609.db2.gz MDLUUSJWJCMYRP-CVEARBPZSA-N -1 0 338.342 2.628 50 0 EFAARM COc1cc([C@@H]2CC(=O)Nc3cc(O)c(C(=O)[O-])cc32)ccc1F ZINC000065372694 214878442 /nfs/dbraw/zinc/87/84/42/214878442.db2.gz HFYBNDVQHGJSKW-VIFPVBQESA-N -1 0 331.299 2.712 50 0 EFAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)no1 ZINC000003947370 210094067 /nfs/dbraw/zinc/09/40/67/210094067.db2.gz XVMXTZAWBRTNAG-UHFFFAOYSA-N -1 0 347.352 2.629 50 0 EFAARM CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)[O-] ZINC000003886699 210085339 /nfs/dbraw/zinc/08/53/39/210085339.db2.gz AXIBWLCQMPQDMG-UHFFFAOYSA-N -1 0 325.320 2.580 50 0 EFAARM Cc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc3c(c2)OCO3)cc1 ZINC000003856196 210080481 /nfs/dbraw/zinc/08/04/81/210080481.db2.gz ZWCXEXAQZSGDON-AWEZNQCLSA-N -1 0 327.336 2.670 50 0 EFAARM CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000003227275 209982747 /nfs/dbraw/zinc/98/27/47/209982747.db2.gz YXSFTRWOVSFWNH-UHFFFAOYSA-N -1 0 325.773 2.863 50 0 EFAARM CC[C@H](Nc1ncnc2sc(C(=O)[O-])c(C)c21)c1ccnn1C ZINC000067756361 215204260 /nfs/dbraw/zinc/20/42/60/215204260.db2.gz XIWHAPILGFATKN-VIFPVBQESA-N -1 0 331.401 2.995 50 0 EFAARM CNC(=O)Cc1ccc(-n2ccnc2-c2ccc(C(=O)[O-])s2)cc1 ZINC000067775017 215210325 /nfs/dbraw/zinc/21/03/25/215210325.db2.gz RGOFQAHQIRLLNH-UHFFFAOYSA-N -1 0 341.392 2.588 50 0 EFAARM COc1ccc(NC(=S)NCc2ccc(C(=O)[O-])cc2)cc1OC ZINC000002853876 209928300 /nfs/dbraw/zinc/92/83/00/209928300.db2.gz ARFDOPASFGDXJB-UHFFFAOYSA-N -1 0 346.408 2.889 50 0 EFAARM CCn1nc(C(=O)[O-])c2c1CCN(C(=O)c1cc(C(C)C)oc1C)C2 ZINC000067895349 215244383 /nfs/dbraw/zinc/24/43/83/215244383.db2.gz CGKMMYPLVBGDOJ-UHFFFAOYSA-N -1 0 345.399 2.825 50 0 EFAARM Cc1cccc(C)c1Oc1ncccc1CNC(=O)c1cc(=O)[nH][n-]1 ZINC000067947610 215255563 /nfs/dbraw/zinc/25/55/63/215255563.db2.gz NSMRGURIANULCB-UHFFFAOYSA-N -1 0 338.367 2.849 50 0 EFAARM Cc1c(C(=O)[O-])sc2ncnc(NCc3cn4c(n3)SCC4)c12 ZINC000067975564 215265508 /nfs/dbraw/zinc/26/55/08/215265508.db2.gz NTSCLHGNJOTQSB-UHFFFAOYSA-N -1 0 347.425 2.612 50 0 EFAARM COC(=O)c1cc(C)sc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000002761985 209904723 /nfs/dbraw/zinc/90/47/23/209904723.db2.gz RONHAXIBDJZHGD-UHFFFAOYSA-N -1 0 341.410 2.653 50 0 EFAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)NCCc1ccc(Cl)cc1 ZINC000002414471 209848555 /nfs/dbraw/zinc/84/85/55/209848555.db2.gz MVYZJMKTUYCJDC-INIZCTEOSA-N -1 0 346.814 2.878 50 0 EFAARM CC(C)OC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc2c1CCCC2 ZINC000002085954 209816908 /nfs/dbraw/zinc/81/69/08/209816908.db2.gz RDHZBOXRWMMXGI-BQYQJAHWSA-N -1 0 337.397 2.771 50 0 EFAARM O=C([O-])C=Cc1cccc(N2C(=O)[C@@H]3CC=C(Cl)C[C@@H]3C2=O)c1 ZINC000096488330 304023677 /nfs/dbraw/zinc/02/36/77/304023677.db2.gz ANBPDQVBHMMILL-KMEUXCNSSA-N -1 0 331.755 2.807 50 0 EFAARM COc1ccc2[nH]cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])c2c1 ZINC000040566508 213352781 /nfs/dbraw/zinc/35/27/81/213352781.db2.gz RFEFILRKWWZSFK-AWEZNQCLSA-N -1 0 334.372 2.697 50 0 EFAARM O=C([O-])CCCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000001795942 209795756 /nfs/dbraw/zinc/79/57/56/209795756.db2.gz SOTWEMRFHGITKZ-UHFFFAOYSA-N -1 0 345.726 2.502 50 0 EFAARM O=C([O-])C1(Oc2ccccc2)CCN(C(=O)[C@H]2CC23CCC3)CC1 ZINC000072457600 304034550 /nfs/dbraw/zinc/03/45/50/304034550.db2.gz WFONIVDUZCFMSS-OAHLLOKOSA-N -1 0 329.396 2.701 50 0 EFAARM O=C([O-])CNC(=O)Cc1csc(-c2cccc(Cl)c2Cl)n1 ZINC000040288423 213290178 /nfs/dbraw/zinc/29/01/78/213290178.db2.gz BOVIAAHGNPLRQU-UHFFFAOYSA-N -1 0 345.207 2.860 50 0 EFAARM COc1cccc2ccn(CCC(=O)NCCCCCC(=O)[O-])c21 ZINC000040309555 213290957 /nfs/dbraw/zinc/29/09/57/213290957.db2.gz NHGHSXTTWFNGLP-UHFFFAOYSA-N -1 0 332.400 2.801 50 0 biogenic EFAARM CC[C@@H](C)[C@H](NC(=O)CCn1cc(C(C)=O)c2ccccc21)C(=O)[O-] ZINC000040309650 213291007 /nfs/dbraw/zinc/29/10/07/213291007.db2.gz JAESXZNGXKCZFC-XIKOKIGWSA-N -1 0 344.411 2.850 50 0 biogenic EFAARM CC[C@@H](C)[C@H](NC(=O)CCn1ccc2cccc(OC)c21)C(=O)[O-] ZINC000040313264 213290892 /nfs/dbraw/zinc/29/08/92/213290892.db2.gz IDOVZEORORBLDX-WBMJQRKESA-N -1 0 332.400 2.656 50 0 biogenic EFAARM COc1cccc(-c2nc(C)c(C(=O)NCCCC(=O)[O-])s2)c1 ZINC000040286877 213288655 /nfs/dbraw/zinc/28/86/55/213288655.db2.gz WLYACVVVZAQVOU-UHFFFAOYSA-N -1 0 334.397 2.722 50 0 EFAARM COc1ccc2c(ccn2CCC(=O)NCCCCCC(=O)[O-])c1 ZINC000040267624 213286012 /nfs/dbraw/zinc/28/60/12/213286012.db2.gz WCUGIZICJCSLQO-UHFFFAOYSA-N -1 0 332.400 2.801 50 0 EFAARM Cc1ccc(Oc2ccc([N-]S(=O)(=O)c3cccnc3)cc2)nn1 ZINC000038670853 213219924 /nfs/dbraw/zinc/21/99/24/213219924.db2.gz CHPSMAHTFCFJHY-UHFFFAOYSA-N -1 0 342.380 2.773 50 0 EFAARM COc1cccc(NC(=O)c2cccc(NC(=O)CCC(=O)[O-])c2)c1 ZINC000000521666 209645331 /nfs/dbraw/zinc/64/53/31/209645331.db2.gz MLHCOHGWCMGOMR-UHFFFAOYSA-N -1 0 342.351 2.751 50 0 EFAARM O=C([O-])CCn1c2nn(C3CCCC3)cc2c(C(F)(F)F)cc1=O ZINC000012397951 304065357 /nfs/dbraw/zinc/06/53/57/304065357.db2.gz VSCHRIXOZUKPMV-UHFFFAOYSA-N -1 0 343.305 2.807 50 0 EFAARM Cn1cc(C(=O)[O-])c(C(=O)N(Cc2ccccc2)Cc2ccccc2)n1 ZINC000036615419 213102861 /nfs/dbraw/zinc/10/28/61/213102861.db2.gz QLWIMOZAEAWEGT-UHFFFAOYSA-N -1 0 349.390 2.961 50 0 EFAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCCC2)c2ccc(Cl)cc21 ZINC000036357979 213088454 /nfs/dbraw/zinc/08/84/54/213088454.db2.gz BNGHCWJNGHSHPZ-HNNXBMFYSA-N -1 0 336.775 2.601 50 0 EFAARM O=C([O-])CSc1nnc(-c2ccc3c(c2)OCCCO3)n1C1CC1 ZINC000035511663 304073179 /nfs/dbraw/zinc/07/31/79/304073179.db2.gz BNEZWHHYEQUQGS-UHFFFAOYSA-N -1 0 347.396 2.618 50 0 EFAARM O=C([O-])CSCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 ZINC000003298501 304072929 /nfs/dbraw/zinc/07/29/29/304072929.db2.gz TZHJEYKMHGLAGJ-UHFFFAOYSA-N -1 0 332.406 2.969 50 0 EFAARM O=C([O-])c1ccccc1CC(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000071281875 215752125 /nfs/dbraw/zinc/75/21/25/215752125.db2.gz URCCQFQWVGRUTP-UHFFFAOYSA-N -1 0 335.363 2.811 50 0 EFAARM COc1ccc2ccccc2c1CNC(=O)[C@H]1[C@H](C(=O)[O-])C1(C)C ZINC000071283674 215752613 /nfs/dbraw/zinc/75/26/13/215752613.db2.gz LRRCKNSGAHIDAZ-HZPDHXFCSA-N -1 0 327.380 2.821 50 0 EFAARM COC(=O)c1ccc(OC(C)C)c(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)c1 ZINC000071284687 215752871 /nfs/dbraw/zinc/75/28/71/215752871.db2.gz ZYZCGIJLLZMARC-KGLIPLIRSA-N -1 0 349.383 2.556 50 0 EFAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000071286180 215754357 /nfs/dbraw/zinc/75/43/57/215754357.db2.gz RWQPZYYBKAMRQZ-GJZGRUSLSA-N -1 0 344.411 2.654 50 0 EFAARM COc1ccccc1NC(=O)c1ccccc1NC(=O)CCC(=O)[O-] ZINC000000386857 209564385 /nfs/dbraw/zinc/56/43/85/209564385.db2.gz HYXHUXWZVUPALW-UHFFFAOYSA-N -1 0 342.351 2.751 50 0 EFAARM Cc1c(NC(=S)NC(=O)C=Cc2ccco2)cccc1C(=O)[O-] ZINC000000311703 209530034 /nfs/dbraw/zinc/53/00/34/209530034.db2.gz FEPHUFOFCQFERW-BQYQJAHWSA-N -1 0 330.365 2.813 50 0 EFAARM O=C([O-])c1ccccc1CC(=O)N1CCc2c3ccccc3[nH]c2C1 ZINC000072324413 216151654 /nfs/dbraw/zinc/15/16/54/216151654.db2.gz PSYUFUHRVIGZST-UHFFFAOYSA-N -1 0 334.375 2.994 50 0 biogenic EFAARM COc1ccc(Br)c(-c2nnc(CCC(=O)[O-])o2)c1 ZINC000037729240 213164670 /nfs/dbraw/zinc/16/46/70/213164670.db2.gz BGDPXWTXLOTKLW-UHFFFAOYSA-N -1 0 327.134 2.525 50 0 EFAARM Cc1ncccc1OC1(C(=O)[O-])CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000072410166 216202514 /nfs/dbraw/zinc/20/25/14/216202514.db2.gz NCRDMMQPBZBENT-OAHLLOKOSA-N -1 0 344.411 2.571 50 0 EFAARM CCCO[C@@H]1CCCN(c2nccc(-c3cc(C(=O)[O-])ccn3)n2)C1 ZINC000072411874 216203847 /nfs/dbraw/zinc/20/38/47/216203847.db2.gz HSAOEWDVSVUWCC-CQSZACIVSA-N -1 0 342.399 2.632 50 0 EFAARM CC(C)c1ccn(C2(C(=O)[O-])CCN(C(=O)c3ccsc3)CC2)n1 ZINC000072419437 216207365 /nfs/dbraw/zinc/20/73/65/216207365.db2.gz NYZXXBVFEZSMBI-UHFFFAOYSA-N -1 0 347.440 2.784 50 0 EFAARM Cc1nc(C(=O)N2CCC(Oc3ccccc3)(C(=O)[O-])CC2)cs1 ZINC000072418827 216207759 /nfs/dbraw/zinc/20/77/59/216207759.db2.gz UTRLMVAOCBULLQ-UHFFFAOYSA-N -1 0 346.408 2.590 50 0 EFAARM Cc1cc(C)c(CNc2nccc(-c3cc(C(=O)[O-])ccn3)n2)cn1 ZINC000072438238 216232937 /nfs/dbraw/zinc/23/29/37/216232937.db2.gz NEXRHDVCJALBFO-UHFFFAOYSA-N -1 0 335.367 2.861 50 0 EFAARM COc1ccc(C(=O)N2CC[C@H](Cc3ccc(C(=O)[O-])cc3)C2)o1 ZINC000072436666 216232053 /nfs/dbraw/zinc/23/20/53/216232053.db2.gz PQNMBIHGONKHID-CYBMUJFWSA-N -1 0 329.352 2.691 50 0 EFAARM Cc1cc(F)ccc1OC1(C(=O)[O-])CCN(C(=O)c2ccco2)CC1 ZINC000072476551 216253709 /nfs/dbraw/zinc/25/37/09/216253709.db2.gz SDKLXDLZGVQNAE-UHFFFAOYSA-N -1 0 347.342 2.866 50 0 EFAARM Cc1ccoc1C(=O)N1CCC(Oc2cccc(F)c2)(C(=O)[O-])CC1 ZINC000072476534 216254681 /nfs/dbraw/zinc/25/46/81/216254681.db2.gz OGPIEMOKRRSZQX-UHFFFAOYSA-N -1 0 347.342 2.866 50 0 EFAARM Cc1ncccc1OC1(C(=O)[O-])CCN(C(=O)c2cccs2)CC1 ZINC000072474297 216251654 /nfs/dbraw/zinc/25/16/54/216251654.db2.gz OFQAXCOYRXBEQY-UHFFFAOYSA-N -1 0 346.408 2.590 50 0 EFAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1cccc2cccc(Cl)c21 ZINC000004344176 304114939 /nfs/dbraw/zinc/11/49/39/304114939.db2.gz KEQKJKJZWCBCFD-LBPRGKRZSA-N -1 0 339.800 2.731 50 0 EFAARM Cc1nc(-c2ccccc2[N-]S(=O)(=O)c2cnn(C)c2)cs1 ZINC000206909182 241055869 /nfs/dbraw/zinc/05/58/69/241055869.db2.gz UAXJLVCJSZGULD-UHFFFAOYSA-N -1 0 334.426 2.653 50 0 EFAARM O=C([O-])CC1(CNC(=O)CCc2cc(Cl)no2)CCCCC1 ZINC000218303217 241313101 /nfs/dbraw/zinc/31/31/01/241313101.db2.gz YRRWGAWALMPGLW-UHFFFAOYSA-N -1 0 328.796 2.802 50 0 EFAARM Cc1cc(-c2cccc(CN3CCOCC3)c2)nc(C)c1C(=O)[O-] ZINC000219305957 241376445 /nfs/dbraw/zinc/37/64/45/241376445.db2.gz IZGORXJERVJRMP-UHFFFAOYSA-N -1 0 326.396 2.896 50 0 EFAARM COc1ccc(-c2nc(CC(=O)N[C@H](C(=O)[O-])C(C)C)cs2)cc1 ZINC000020737282 212166589 /nfs/dbraw/zinc/16/65/89/212166589.db2.gz DGXQSVWLMHRPQC-HNNXBMFYSA-N -1 0 348.424 2.587 50 0 EFAARM COc1cccc(-c2cc(C(=O)[O-])n3ncc(Br)c3n2)c1 ZINC000020605198 212152544 /nfs/dbraw/zinc/15/25/44/212152544.db2.gz JIMWGBLCHYWEAS-UHFFFAOYSA-N -1 0 348.156 2.866 50 0 EFAARM COC[C@H](c1ccccn1)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000253537378 244015473 /nfs/dbraw/zinc/01/54/73/244015473.db2.gz SLNPXYYDPPVNAQ-CYBMUJFWSA-N -1 0 330.413 2.611 50 0 EFAARM O=C([O-])CSC1=N[C@@H](c2ccccc2)C(c2ccccc2)=NN1 ZINC000020395690 212124139 /nfs/dbraw/zinc/12/41/39/212124139.db2.gz KAKAKJXNLSXLNR-HNNXBMFYSA-N -1 0 325.393 2.909 50 0 EFAARM CC1CCN(C(=O)c2cccc(NC(=O)CCCC(=O)[O-])c2)CC1 ZINC000020113086 212102742 /nfs/dbraw/zinc/10/27/42/212102742.db2.gz NOLWEAVRXMMMFK-UHFFFAOYSA-N -1 0 332.400 2.752 50 0 EFAARM Cc1ccc(S(=O)(=O)N(CCC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000019926363 212084965 /nfs/dbraw/zinc/08/49/65/212084965.db2.gz IJZOXVJSNVQIPN-UHFFFAOYSA-N -1 0 337.372 2.804 50 0 EFAARM O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(c2ccc(O)cc2)C1=O ZINC000019878568 212078599 /nfs/dbraw/zinc/07/85/99/212078599.db2.gz GAFYIWPWMFLPAY-CQSZACIVSA-N -1 0 343.360 2.515 50 0 EFAARM O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000018180432 211986188 /nfs/dbraw/zinc/98/61/88/211986188.db2.gz POYASDCQBXPHNL-CQSZACIVSA-N -1 0 327.361 2.809 50 0 EFAARM Cc1cc(C(=O)N2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c2cc(Cl)ccc2n1 ZINC000426403475 247275908 /nfs/dbraw/zinc/27/59/08/247275908.db2.gz JBNLJNRIJDTHQB-NHAGDIPZSA-N -1 0 330.771 2.599 50 0 EFAARM CCCC[C@@H](CC(=O)[O-])NC(=O)N1CC(Oc2ccc(F)cc2)C1 ZINC000426421840 247279872 /nfs/dbraw/zinc/27/98/72/247279872.db2.gz KUVYDTNMMACRJS-ZDUSSCGKSA-N -1 0 338.379 2.632 50 0 EFAARM CCOC(=O)[C@@H](C)Oc1ccc(Br)cc1/C=C/C(=O)[O-] ZINC000012394648 211367514 /nfs/dbraw/zinc/36/75/14/211367514.db2.gz DPPYRHRVJILTJQ-ILFKPUCNSA-N -1 0 343.173 2.877 50 0 EFAARM CC(C)NC(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000012138532 211302847 /nfs/dbraw/zinc/30/28/47/211302847.db2.gz RNMNRZYQFPQTPG-UHFFFAOYSA-N -1 0 326.352 2.775 50 0 EFAARM CN(C(=O)c1cccc(NC(=O)CCC(=O)[O-])c1)c1ccccc1 ZINC000012138840 211302682 /nfs/dbraw/zinc/30/26/82/211302682.db2.gz QITCFIVYYVAMNI-UHFFFAOYSA-N -1 0 326.352 2.767 50 0 EFAARM CCc1nccn1CCC(=O)N1CCC[C@@](CC=C(C)C)(C(=O)[O-])C1 ZINC000091381336 218000537 /nfs/dbraw/zinc/00/05/37/218000537.db2.gz QQFGJJXKJVOWTR-IBGZPJMESA-N -1 0 347.459 2.885 50 0 EFAARM COc1ccc(-c2coc3cc(OCC(=O)[O-])ccc3c2=O)cc1 ZINC000011861077 211258783 /nfs/dbraw/zinc/25/87/83/211258783.db2.gz GMKYBSAERKAXQY-UHFFFAOYSA-N -1 0 326.304 2.932 50 0 biogenic EFAARM CC(C)=CC[C@@]1(C(=O)[O-])CCCN(C(=O)CCCc2cn[nH]c2)C1 ZINC000091575134 218023855 /nfs/dbraw/zinc/02/38/55/218023855.db2.gz CFUYXAJKIBEQGO-SFHVURJKSA-N -1 0 333.432 2.782 50 0 EFAARM O=C([O-])[C@]1(CC2CC2)CCCN(C(=O)CCc2cc(Cl)no2)C1 ZINC000091593756 218027915 /nfs/dbraw/zinc/02/79/15/218027915.db2.gz VLLXZHWXDTZDSJ-INIZCTEOSA-N -1 0 340.807 2.754 50 0 EFAARM COc1cc(OC)c(-c2cc(C(=O)[O-])c3nc(C)[nH]c3n2)cc1OC ZINC000011694727 211236748 /nfs/dbraw/zinc/23/67/48/211236748.db2.gz QPLRDLBHLQUHIT-UHFFFAOYSA-N -1 0 343.339 2.657 50 0 EFAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)CCc2ccccc2C)C1 ZINC000091738246 218056414 /nfs/dbraw/zinc/05/64/14/218056414.db2.gz MQJZCKWGUJHGIV-LJQANCHMSA-N -1 0 333.428 2.658 50 0 EFAARM CCOc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)ccc1F ZINC000011613978 211226694 /nfs/dbraw/zinc/22/66/94/211226694.db2.gz ZULIBKHPOPSRTG-UHFFFAOYSA-N -1 0 339.344 2.723 50 0 EFAARM CCC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(CC(C)C)nn2C)C1 ZINC000091859960 218078252 /nfs/dbraw/zinc/07/82/52/218078252.db2.gz IVOGGQAZDFGKEB-SFHVURJKSA-N -1 0 335.448 2.726 50 0 EFAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2sccc2C)C1 ZINC000091893803 218084580 /nfs/dbraw/zinc/08/45/80/218084580.db2.gz RPRUVEBOXBUZQJ-INIZCTEOSA-N -1 0 325.430 2.790 50 0 EFAARM C[C@H](NC(=O)N1CCC(c2nc3ccccc3s2)CC1)C(=O)[O-] ZINC000009530919 211099721 /nfs/dbraw/zinc/09/97/21/211099721.db2.gz ZQBIKHSFFXMDLE-JTQLQIEISA-N -1 0 333.413 2.658 50 0 EFAARM CCn1nc(NC(=O)CCC(=O)[O-])c2cc3ccc(C)cc3nc21 ZINC000009358654 211074072 /nfs/dbraw/zinc/07/40/72/211074072.db2.gz ULYSUTZIIATRDT-UHFFFAOYSA-N -1 0 326.356 2.716 50 0 EFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000009320616 211068538 /nfs/dbraw/zinc/06/85/38/211068538.db2.gz QJMWUQOPEVIHRX-UHFFFAOYSA-N -1 0 331.802 2.989 50 0 EFAARM O=C([O-])c1ccc(OCc2nnnn2-c2ccc(Cl)cc2)cc1 ZINC000009305415 211063643 /nfs/dbraw/zinc/06/36/43/211063643.db2.gz IWAIQBDRMPWUHW-UHFFFAOYSA-N -1 0 330.731 2.593 50 0 EFAARM O=C([O-])CN(CC(=O)Nc1ccc(Cl)cc1)Cc1ccccc1 ZINC000009226991 211055313 /nfs/dbraw/zinc/05/53/13/211055313.db2.gz PEMMJNZYSYCNTP-UHFFFAOYSA-N -1 0 332.787 2.865 50 0 EFAARM CSc1cccc([C@H](C(=O)[O-])N2CCN(c3ccccn3)CC2)c1 ZINC000095365338 218297796 /nfs/dbraw/zinc/29/77/96/218297796.db2.gz MWKLUHNRJMDMNW-QGZVFWFLSA-N -1 0 343.452 2.751 50 0 EFAARM CCn1nccc1C(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095364541 218298060 /nfs/dbraw/zinc/29/80/60/218298060.db2.gz AVBVQBJAOJSSMK-HNNXBMFYSA-N -1 0 327.384 2.621 50 0 EFAARM Cc1ncsc1CCC(=O)N[C@@H](C(=O)[O-])c1ccccc1Cl ZINC000095371498 218303679 /nfs/dbraw/zinc/30/36/79/218303679.db2.gz CMWYCHGHPJRTSM-CQSZACIVSA-N -1 0 338.816 2.980 50 0 EFAARM Cc1cc(CC(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)on1 ZINC000095373135 218305558 /nfs/dbraw/zinc/30/55/58/218305558.db2.gz VHASCKGRWJMTPH-OAHLLOKOSA-N -1 0 328.368 2.630 50 0 EFAARM CCn1ccc(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)n1 ZINC000095374212 218306195 /nfs/dbraw/zinc/30/61/95/218306195.db2.gz IRPGIXLXKBVPPC-OAHLLOKOSA-N -1 0 327.384 2.621 50 0 EFAARM CC(C)COc1cccc([C@@H](C(=O)[O-])N(C)Cc2cnccn2)c1 ZINC000095378358 218310944 /nfs/dbraw/zinc/31/09/44/218310944.db2.gz UPDQCNINKLBKKV-KRWDZBQOSA-N -1 0 329.400 2.769 50 0 EFAARM CC(C)COc1cccc([C@H](C(=O)[O-])N(C)Cc2cnccn2)c1 ZINC000095378359 218311700 /nfs/dbraw/zinc/31/17/00/218311700.db2.gz UPDQCNINKLBKKV-QGZVFWFLSA-N -1 0 329.400 2.769 50 0 EFAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3n[nH]c4c3CCC4)C2)c1 ZINC000095387977 218319636 /nfs/dbraw/zinc/31/96/36/218319636.db2.gz JCANOEJWROPQOH-AWEZNQCLSA-N -1 0 339.395 2.616 50 0 EFAARM Cc1cc(C)n(CC(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)n1 ZINC000095389068 218321056 /nfs/dbraw/zinc/32/10/56/218321056.db2.gz SGGGKGFIJVBJQG-QGZVFWFLSA-N -1 0 341.411 2.604 50 0 EFAARM COc1ccccc1CN1CCN([C@H](C(=O)[O-])c2ccsc2)CC1 ZINC000095383956 218315951 /nfs/dbraw/zinc/31/59/51/218315951.db2.gz BORKNGVGZCVPBI-KRWDZBQOSA-N -1 0 346.452 2.700 50 0 EFAARM CC(=O)Nc1cccc(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])c1 ZINC000006741959 210697508 /nfs/dbraw/zinc/69/75/08/210697508.db2.gz YOFPRBAKQVRZJO-DCNYZXSGSA-N -1 0 330.384 2.721 50 0 EFAARM CCOC(=O)c1ccsc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000006742436 210696797 /nfs/dbraw/zinc/69/67/97/210696797.db2.gz ZYTSDKBXFBEUHB-VHSXEESVSA-N -1 0 325.386 2.754 50 0 EFAARM COc1cc(OC)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1Cl ZINC000006698808 210682166 /nfs/dbraw/zinc/68/21/66/210682166.db2.gz GKAHNKIYDIQFAB-ZJUUUORDSA-N -1 0 339.775 2.963 50 0 EFAARM O=C([O-])c1ccc(Br)cc1I ZINC000037742556 304232970 /nfs/dbraw/zinc/23/29/70/304232970.db2.gz JYNKVVLDGGRVFE-UHFFFAOYSA-N -1 0 326.915 2.752 50 0 EFAARM O=c1[n-]c(=O)c(SCc2cccc(Oc3ccccc3)c2)n[nH]1 ZINC000005094971 210388944 /nfs/dbraw/zinc/38/89/44/210388944.db2.gz DBRBEJMBFZBYLG-UHFFFAOYSA-N -1 0 327.365 2.955 50 0 EFAARM O=C([O-])/C(=C\c1cccc(Br)c1)NC(=O)c1ccco1 ZINC000004976815 210347131 /nfs/dbraw/zinc/34/71/31/210347131.db2.gz UQHMTTHSPRDBBQ-DHZHZOJOSA-N -1 0 336.141 2.898 50 0 EFAARM Cc1oc2c(c1C(=O)N[C@H](Cc1ccccc1)C(=O)[O-])CCCC2 ZINC000000036846 208554393 /nfs/dbraw/zinc/55/43/93/208554393.db2.gz ZFEVXQOLLSVJSI-OAHLLOKOSA-N -1 0 327.380 2.893 50 0 EFAARM O=C([O-])c1cccc(NC(=O)[C@H]2CC(=O)O[C@H]2c2ccccc2)c1 ZINC000000617682 304263038 /nfs/dbraw/zinc/26/30/38/304263038.db2.gz ZLKSYHINXQLYIC-HOCLYGCPSA-N -1 0 325.320 2.628 50 0 EFAARM O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000019791024 304271307 /nfs/dbraw/zinc/27/13/07/304271307.db2.gz FPQBGNKSJQDCDX-OAHLLOKOSA-N -1 0 341.388 2.805 50 0 EFAARM CC(C)C[C@@H](CC(=O)[O-])NC(=O)N(Cc1cccc(O)c1)C1CC1 ZINC000426535182 257964814 /nfs/dbraw/zinc/96/48/14/257964814.db2.gz ORBDGWSWMIFCRL-AWEZNQCLSA-N -1 0 334.416 2.956 50 0 EFAARM O=C([N-]c1nnc(-c2cc(F)ccc2F)s1)c1csnn1 ZINC000334162322 258015758 /nfs/dbraw/zinc/01/57/58/258015758.db2.gz MGMFRASWACHHGN-UHFFFAOYSA-N -1 0 325.325 2.587 50 0 EFAARM COc1ccccc1-c1nc2cc(NC=O)cc(C(=O)[O-])c2n1C ZINC000299776302 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ZINC000001056878 471380412 /nfs/dbraw/zinc/38/04/12/471380412.db2.gz LRMRNEPFNCIFFU-ZDUSSCGKSA-N -1 0 342.376 2.512 50 0 EFAARM O=C(Nc1ccc(O)cc1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001321350 471385059 /nfs/dbraw/zinc/38/50/59/471385059.db2.gz SGLANZNILBDBRN-UHFFFAOYSA-N -1 0 336.347 2.611 50 0 EFAARM COc1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)cc1 ZINC000001317866 471385380 /nfs/dbraw/zinc/38/53/80/471385380.db2.gz WXGSFTVYPGFAGK-UHFFFAOYSA-N -1 0 336.347 2.524 50 0 EFAARM COCc1cnc([N-]c2nc3ccccc3s2)nc1C(=O)OC ZINC000001430688 471390966 /nfs/dbraw/zinc/39/09/66/471390966.db2.gz LMPRQLRKPUVEOQ-UHFFFAOYSA-N -1 0 330.369 2.763 50 0 EFAARM O=C([O-])CCCCCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000001795962 471398291 /nfs/dbraw/zinc/39/82/91/471398291.db2.gz RCBXQZHXGXHSLU-UHFFFAOYSA-N -1 0 340.228 2.917 50 0 EFAARM CC(C)(c1ccccc1)c1ccc(OCC(=O)NCCC(=O)[O-])cc1 ZINC000001792739 471397764 /nfs/dbraw/zinc/39/77/64/471397764.db2.gz LGABCTUUVNWFPX-UHFFFAOYSA-N -1 0 341.407 2.982 50 0 EFAARM COc1ccc(NC(=O)N[C@@H](CCSC)C(=O)[O-])cc1Cl ZINC000002199590 471404296 /nfs/dbraw/zinc/40/42/96/471404296.db2.gz HEDUGSOPIMTAPF-JTQLQIEISA-N -1 0 332.809 2.676 50 0 EFAARM O=C([O-])CCCCCNC(=O)c1cc(Br)ccc1O ZINC000002328034 471405552 /nfs/dbraw/zinc/40/55/52/471405552.db2.gz HXLGWKWCEYAKKV-UHFFFAOYSA-N -1 0 330.178 2.530 50 0 EFAARM O=C([O-])[C@H](CC(=O)OC1CCCCC1)NC(=O)OCc1ccccc1 ZINC000002556680 471410941 /nfs/dbraw/zinc/41/09/41/471410941.db2.gz FRMQHBWAORFCPR-HNNXBMFYSA-N -1 0 349.383 2.632 50 0 EFAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc(F)cc2F)cc1 ZINC000002581568 471411889 /nfs/dbraw/zinc/41/18/89/471411889.db2.gz ZIVHYCFIPGLFMP-UHFFFAOYSA-N -1 0 326.324 2.784 50 0 EFAARM CCc1cc(C(=O)OC)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])s1 ZINC000002759080 471419084 /nfs/dbraw/zinc/41/90/84/471419084.db2.gz WHHHZIQDUZQHJX-GHMZBOCLSA-N -1 0 337.397 2.703 50 0 EFAARM Cc1ccc(S(=O)(=O)[N-]c2ncn(Cc3cccc(C)c3)n2)cc1 ZINC000002779075 471419976 /nfs/dbraw/zinc/41/99/76/471419976.db2.gz MDRKKPTZXGVZNE-UHFFFAOYSA-N -1 0 342.424 2.744 50 0 EFAARM CCc1cc(C(=O)OC)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])s1 ZINC000002759081 471420223 /nfs/dbraw/zinc/42/02/23/471420223.db2.gz WHHHZIQDUZQHJX-QWRGUYRKSA-N -1 0 337.397 2.703 50 0 EFAARM Cc1cccc(Cn2cnc([N-]S(=O)(=O)c3ccc(F)cc3)n2)c1 ZINC000002781330 471420979 /nfs/dbraw/zinc/42/09/79/471420979.db2.gz NKEWHWUTPUPPCL-UHFFFAOYSA-N -1 0 346.387 2.575 50 0 EFAARM O=S(=O)([N-]c1cnn(Cc2cccc(F)c2)c1)c1cccs1 ZINC000002791175 471421352 /nfs/dbraw/zinc/42/13/52/471421352.db2.gz OYHLRWWBVMIOLB-UHFFFAOYSA-N -1 0 337.401 2.933 50 0 EFAARM Cc1cc(C(F)F)nn1Cc1nnc([N-]c2cn(C)nc2C)s1 ZINC000002797055 471422699 /nfs/dbraw/zinc/42/26/99/471422699.db2.gz DPQCBPWVYWKBTH-UHFFFAOYSA-N -1 0 339.375 2.814 50 0 EFAARM CC(C)C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000002861044 471425640 /nfs/dbraw/zinc/42/56/40/471425640.db2.gz KIHKHDNNXJYSLK-AWEZNQCLSA-N -1 0 327.446 2.762 50 0 EFAARM Cc1cc(C)n(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)n1 ZINC000004184990 471461436 /nfs/dbraw/zinc/46/14/36/471461436.db2.gz XRYKVSNGPMTOOK-UHFFFAOYSA-N -1 0 349.195 2.742 50 0 EFAARM COC(=O)C[C@H](NC(=O)CCC(=O)[O-])c1cccc(Cl)c1Cl ZINC000004549788 471467784 /nfs/dbraw/zinc/46/77/84/471467784.db2.gz UNASYSYGUAPVER-JTQLQIEISA-N -1 0 348.182 2.579 50 0 EFAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1Cl ZINC000005156323 471489054 /nfs/dbraw/zinc/48/90/54/471489054.db2.gz FZWRWJUQPHTWSQ-HNNXBMFYSA-N -1 0 332.787 2.835 50 0 EFAARM Cc1ccc2c(c1)C[C@@](C)(C(=O)Nc1ccc(C(=O)[O-])cc1)OC2=O ZINC000005321884 471499615 /nfs/dbraw/zinc/49/96/15/471499615.db2.gz SSCFKTRNJJPYTO-IBGZPJMESA-N -1 0 339.347 2.804 50 0 EFAARM CSCC[C@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005354208 471501468 /nfs/dbraw/zinc/50/14/68/471501468.db2.gz HPOOWTYSXDWWIC-HNNXBMFYSA-N -1 0 334.441 2.813 50 0 EFAARM O=C([O-])c1cc(NC(=O)c2cccs2)ccc1N1CCOCC1 ZINC000005590670 471512813 /nfs/dbraw/zinc/51/28/13/471512813.db2.gz BDSZSMQHPDDILC-UHFFFAOYSA-N -1 0 332.381 2.535 50 0 EFAARM COc1ccc(C[C@@H](CC(=O)NCc2ccccc2)C(=O)[O-])cc1 ZINC000005720497 471518143 /nfs/dbraw/zinc/51/81/43/471518143.db2.gz JBVWLJSKQLMTPQ-INIZCTEOSA-N -1 0 327.380 2.645 50 0 biogenic EFAARM COc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1Br ZINC000005729328 471519023 /nfs/dbraw/zinc/51/90/23/471519023.db2.gz LVFCMJYXNNMTOC-UHFFFAOYSA-N -1 0 343.202 2.654 50 0 EFAARM O=C([O-])C[C@H](c1ccc2c(c1)OCO2)N1Cc2ccccc2C1=O ZINC000005770625 471520038 /nfs/dbraw/zinc/52/00/38/471520038.db2.gz IOUSJWHTZGQZII-CQSZACIVSA-N -1 0 325.320 2.587 50 0 EFAARM O=C([O-])CCSc1nc(C(F)(F)F)cc(=O)n1-c1ccccc1 ZINC000005770335 471520470 /nfs/dbraw/zinc/52/04/70/471520470.db2.gz FFENGIRYCKWMGB-UHFFFAOYSA-N -1 0 344.314 2.818 50 0 EFAARM Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)[O-])cc3)CC2=O)cc1 ZINC000005794407 471521872 /nfs/dbraw/zinc/52/18/72/471521872.db2.gz WJOQWQDDOYSUIF-AWEZNQCLSA-N -1 0 338.363 2.685 50 0 EFAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000005936505 471526531 /nfs/dbraw/zinc/52/65/31/471526531.db2.gz BILLQYVXECCAGP-HZPDHXFCSA-N -1 0 348.830 2.656 50 0 EFAARM O=C1Oc2ccccc2[C@@H](O)C1=C([O-])c1ccccc1Br ZINC000006667221 471558562 /nfs/dbraw/zinc/55/85/62/471558562.db2.gz QODVAYBXMZHWMD-UKRRQHHQSA-N -1 0 347.164 2.901 50 0 EFAARM COc1cc(OC)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1Cl ZINC000006698810 471561320 /nfs/dbraw/zinc/56/13/20/471561320.db2.gz GKAHNKIYDIQFAB-NXEZZACHSA-N -1 0 339.775 2.963 50 0 EFAARM CCOc1ccc(S(=O)(=O)[N-]c2ccsc2C(=O)OC)cc1 ZINC000006706488 471562482 /nfs/dbraw/zinc/56/24/82/471562482.db2.gz KNRIOEYBYPDUCA-UHFFFAOYSA-N -1 0 341.410 2.734 50 0 EFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4C)c=3c2=O)cc1 ZINC000006770308 471568588 /nfs/dbraw/zinc/56/85/88/471568588.db2.gz ZAQFVHFYWCPXFL-DLBZAZTESA-N -1 0 334.379 2.797 50 0 EFAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000006913897 471578530 /nfs/dbraw/zinc/57/85/30/471578530.db2.gz VZUWKGDRJJMPHF-UHFFFAOYSA-N -1 0 325.411 2.952 50 0 EFAARM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000007053801 471588257 /nfs/dbraw/zinc/58/82/57/471588257.db2.gz LQNZTOXWKSCEHA-UHFFFAOYSA-N -1 0 327.308 2.552 50 0 EFAARM O=C([O-])c1ccc(NC(=O)[C@@H]2Cc3ccc(Cl)cc3C(=O)O2)cc1 ZINC000008020641 471656470 /nfs/dbraw/zinc/65/64/70/471656470.db2.gz ILCHBTFULBEULC-AWEZNQCLSA-N -1 0 345.738 2.758 50 0 EFAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCn1ccc2ccccc21 ZINC000008156856 471667720 /nfs/dbraw/zinc/66/77/20/471667720.db2.gz PJFOZYYFMJQWHL-KRWDZBQOSA-N -1 0 336.391 2.844 50 0 biogenic EFAARM O=C([O-])CCCC(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000008723248 471701766 /nfs/dbraw/zinc/70/17/66/471701766.db2.gz RPRMVGVALQCERS-UHFFFAOYSA-N -1 0 332.400 2.943 50 0 EFAARM CCCc1cc(=O)n2[n-]c(COC)c(-c3ccc(OC)cc3)c2n1 ZINC000012862174 471801572 /nfs/dbraw/zinc/80/15/72/471801572.db2.gz QDSPGICDPUKXFU-UHFFFAOYSA-N -1 0 327.384 2.797 50 0 EFAARM COCc1[n-]n2c(nc(C)c(Cl)c2=O)c1-c1ccc(OC)cc1 ZINC000012862105 471801685 /nfs/dbraw/zinc/80/16/85/471801685.db2.gz OUUATTKKLPAVJQ-UHFFFAOYSA-N -1 0 333.775 2.806 50 0 EFAARM Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C(=O)[O-])CC2=O)cc1 ZINC000013261326 471824110 /nfs/dbraw/zinc/82/41/10/471824110.db2.gz MLDHDPXPMPQPFZ-CYBMUJFWSA-N -1 0 338.363 2.685 50 0 EFAARM O=C([O-])c1cc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)ccc1O ZINC000013843355 471844796 /nfs/dbraw/zinc/84/47/96/471844796.db2.gz NJFDOHGOFXULSM-UHFFFAOYSA-N -1 0 340.335 2.691 50 0 EFAARM COc1ccccc1O[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000014632456 471875845 /nfs/dbraw/zinc/87/58/45/471875845.db2.gz KLTKNERLQGKWKD-RYUDHWBXSA-N -1 0 337.372 2.537 50 0 EFAARM CC/C=C\C[C@H](O)[C@@H](O)/C=C/[C@@H](O)CCCCCCCC(=O)[O-] ZINC000014815684 471879856 /nfs/dbraw/zinc/87/98/56/471879856.db2.gz MKYUCBXUUSZMQB-SZTSADAQSA-N -1 0 328.449 2.797 50 0 endogenous,in-man EFAARM Cc1cc(=O)oc2cc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])ccc12 ZINC000016480044 471939653 /nfs/dbraw/zinc/93/96/53/471939653.db2.gz SGMQPIPRCVJDAL-KBPBESRZSA-N -1 0 327.336 2.707 50 0 EFAARM O=C(c1ccccc1[N-]S(=O)(=O)Cc1ccccc1)N1CCCC1 ZINC000016577595 471942025 /nfs/dbraw/zinc/94/20/25/471942025.db2.gz VXABQNKLIMTXDP-UHFFFAOYSA-N -1 0 344.436 2.865 50 0 EFAARM CCCCCCNC(=O)c1c([O-])c2cc(OC)c(OC)cc2[nH]c1=O ZINC000016996461 471952804 /nfs/dbraw/zinc/95/28/04/471952804.db2.gz FUKVYVJJWAUVFG-UHFFFAOYSA-N -1 0 348.399 2.561 50 0 biogenic EFAARM COC(=O)c1ccsc1NC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000017070861 471955465 /nfs/dbraw/zinc/95/54/65/471955465.db2.gz QIEBPZRXOWYLGO-NEPJUHHUSA-N -1 0 337.397 2.920 50 0 EFAARM O=C([O-])c1ccc(NC=C([C@H]2OC(=O)c3ccccc32)[N+](=O)[O-])cc1 ZINC000018043433 471967834 /nfs/dbraw/zinc/96/78/34/471967834.db2.gz FJGXFAYORPUQHS-HNRFISLBSA-N -1 0 340.291 2.827 50 0 EFAARM CCOC(=O)CCc1c(C)nc2c(-c3ccccc3)c(C)[n-]n2c1=O ZINC000018240866 471974496 /nfs/dbraw/zinc/97/44/96/471974496.db2.gz COXSOSFDVMLLMF-UHFFFAOYSA-N -1 0 339.395 2.802 50 0 EFAARM COc1ccc(/C=N\NC(=O)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000033281943 471982398 /nfs/dbraw/zinc/98/23/98/471982398.db2.gz BGLHDAKRSJZBCT-NVMNQCDNSA-N -1 0 332.743 2.811 50 0 EFAARM COC(=O)C1=C(c2ccccc2)c2cc(Cl)ccc2S(=O)(=O)[N-]1 ZINC000067244956 472010527 /nfs/dbraw/zinc/01/05/27/472010527.db2.gz RJAYUFTWFJAIAZ-UHFFFAOYSA-N -1 0 349.795 2.564 50 0 EFAARM O=C([O-])c1ccccc1CC(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000044980692 472362617 /nfs/dbraw/zinc/36/26/17/472362617.db2.gz DDRPJSALONZLOQ-UHFFFAOYSA-N -1 0 326.308 2.546 50 0 EFAARM O=C([O-])/C=C\C(=O)Nc1ccc(Br)cc1Br ZINC000032561909 472443647 /nfs/dbraw/zinc/44/36/47/472443647.db2.gz CHARIWQKGABMLU-ARJAWSKDSA-N -1 0 348.978 2.791 50 0 EFAARM Cc1cc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)n(-c2ccc(F)cc2)n1 ZINC000071282264 472545627 /nfs/dbraw/zinc/54/56/27/472545627.db2.gz LDRHQBGQSUYDAY-UONOGXRCSA-N -1 0 331.347 2.615 50 0 EFAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccn(Cc2ccc(Cl)cc2)n1 ZINC000071282501 472546675 /nfs/dbraw/zinc/54/66/75/472546675.db2.gz LTVNDDGLWBVQKK-ZIAGYGMSSA-N -1 0 347.802 2.880 50 0 EFAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1nnc(CCc2ccccc2)s1 ZINC000071285959 472547648 /nfs/dbraw/zinc/54/76/48/472547648.db2.gz KWPNEKARMCKPQU-STQMWFEESA-N -1 0 345.424 2.619 50 0 EFAARM CC1(C)[C@H](C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)[C@@H]1C(=O)[O-] ZINC000071286176 472547696 /nfs/dbraw/zinc/54/76/96/472547696.db2.gz RWQPZYYBKAMRQZ-LSDHHAIUSA-N -1 0 344.411 2.654 50 0 EFAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1nnc(CCc2ccccc2)s1 ZINC000071285960 472548005 /nfs/dbraw/zinc/54/80/05/472548005.db2.gz KWPNEKARMCKPQU-OLZOCXBDSA-N -1 0 345.424 2.619 50 0 EFAARM COCC[C@@]1(C(=O)[O-])CCCN(c2cccc(C(F)(F)F)n2)C1 ZINC000071440399 472552319 /nfs/dbraw/zinc/55/23/19/472552319.db2.gz PDDIKXWBPKHGSM-AWEZNQCLSA-N -1 0 332.322 2.808 50 0 EFAARM Nc1nccc(N2CCC(Cc3ccccc3Cl)(C(=O)[O-])CC2)n1 ZINC000071639316 472554987 /nfs/dbraw/zinc/55/49/87/472554987.db2.gz BXLTXNWLAIFHEB-UHFFFAOYSA-N -1 0 346.818 2.626 50 0 EFAARM Cn1ccnc1SCCn1ccnc1-c1ccccc1C(=O)[O-] ZINC000071681980 472555243 /nfs/dbraw/zinc/55/52/43/472555243.db2.gz JPMXOJKRGHLSFD-UHFFFAOYSA-N -1 0 328.397 2.774 50 0 EFAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccccc2F)c1 ZINC000071748950 472558343 /nfs/dbraw/zinc/55/83/43/472558343.db2.gz NYKMHCJNIKJVDZ-UHFFFAOYSA-N -1 0 337.372 2.878 50 0 EFAARM O=C([O-])c1cc(CN2CCO[C@H](CCc3ccccc3)C2)ccc1O ZINC000071760260 472561719 /nfs/dbraw/zinc/56/17/19/472561719.db2.gz GFSBZRDKMIIZEQ-QGZVFWFLSA-N -1 0 341.407 2.924 50 0 EFAARM CN(C)c1ncc(-c2nccn2[C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000071762480 472562241 /nfs/dbraw/zinc/56/22/41/472562241.db2.gz FNEKORLJLKAQHZ-ZDUSSCGKSA-N -1 0 342.424 2.941 50 0 EFAARM C[C@@H]1CCC[C@H](NC(=O)Cn2c(=O)c3ccccc3[n-]c2=S)[C@H]1C ZINC000104174194 472658951 /nfs/dbraw/zinc/65/89/51/472658951.db2.gz MVQVTVYBAZRSMY-DYEKYZERSA-N -1 0 345.468 3.000 50 0 EFAARM COc1cccc(NCc2nn(CCCc3ccccc3)c(=O)[n-]2)c1 ZINC000061718617 472714702 /nfs/dbraw/zinc/71/47/02/472714702.db2.gz WULOCZBAYNBZFZ-UHFFFAOYSA-N -1 0 338.411 2.825 50 0 EFAARM COCc1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](C(=O)[O-])C2)o1 ZINC000091350970 472758496 /nfs/dbraw/zinc/75/84/96/472758496.db2.gz IVYFBGJRNJFLPE-LSDHHAIUSA-N -1 0 347.342 2.506 50 0 EFAARM Cc1cc(N2C[C@@H](C)[C@](O)(C3CC3)C2)nc(-c2ccccc2[O-])n1 ZINC000091548483 472776726 /nfs/dbraw/zinc/77/67/26/472776726.db2.gz POBFPYPEIZXUOB-BLVKFPJESA-N -1 0 325.412 2.755 50 0 EFAARM Cc1ccccc1CSc1sc2c([nH]c(=O)cc2[O-])c1C(N)=O ZINC000065363605 472927382 /nfs/dbraw/zinc/92/73/82/472927382.db2.gz VMZPPJAFXOEJAW-UHFFFAOYSA-N -1 0 346.433 2.995 50 0 EFAARM CN(C)c1ccc2c(c1)NC(=O)C[C@H]2c1ccccc1OCC(=O)[O-] ZINC000065435243 472941500 /nfs/dbraw/zinc/94/15/00/472941500.db2.gz VZTJGIPKNZRLMN-OAHLLOKOSA-N -1 0 340.379 2.690 50 0 EFAARM Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(N3CCCC3)nc2)cc1C ZINC000075162099 473143722 /nfs/dbraw/zinc/14/37/22/473143722.db2.gz JFDMPXSAHUBMGX-UHFFFAOYSA-N -1 0 346.456 2.803 50 0 EFAARM CS(=O)(=O)N(CCCC(=O)[O-])c1cc(Cl)ccc1Cl ZINC000113883763 473420207 /nfs/dbraw/zinc/42/02/07/473420207.db2.gz ZNYYIWKOMDCMOZ-UHFFFAOYSA-N -1 0 326.201 2.624 50 0 EFAARM O=C([O-])[C@@H]1C[C@@H](C(F)(F)F)CN(C(=O)OCc2ccccc2)C1 ZINC000116180033 473634978 /nfs/dbraw/zinc/63/49/78/473634978.db2.gz RCMPMDCOBDJAAE-VXGBXAGGSA-N -1 0 331.290 2.908 50 0 EFAARM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)CCc1ccccn1 ZINC000194940131 473980946 /nfs/dbraw/zinc/98/09/46/473980946.db2.gz MSUNNGSPVYTCPD-KRWDZBQOSA-N -1 0 326.396 2.607 50 0 EFAARM Cc1nn(C)c(C)c1[C@H](C)N(C)Cc1ccccc1OCC(=O)[O-] ZINC000216509634 474141041 /nfs/dbraw/zinc/14/10/41/474141041.db2.gz OIUBXEGGDFPMEP-ZDUSSCGKSA-N -1 0 331.416 2.693 50 0 EFAARM COc1ccc(C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C(=O)[O-])cc1 ZINC000221039857 474159386 /nfs/dbraw/zinc/15/93/86/474159386.db2.gz AYYGDDNJPIPCPO-HIFRSBDPSA-N -1 0 335.400 2.948 50 0 EFAARM Cc1cc(C)n(-c2ccc(C(=O)N3CCCC[C@H]3C(=O)[O-])cc2)n1 ZINC000237680997 474456678 /nfs/dbraw/zinc/45/66/78/474456678.db2.gz TVWBMKHKJHVSDX-INIZCTEOSA-N -1 0 327.384 2.568 50 0 EFAARM Cn1cc(C(=O)[O-])c([C@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 ZINC000238855508 474542561 /nfs/dbraw/zinc/54/25/61/474542561.db2.gz SGANCOBZEIXPKJ-AWEZNQCLSA-N -1 0 343.383 2.635 50 0 EFAARM O=S(=O)(NCCCc1cnoc1)c1cc(Cl)ccc1Cl ZINC000245015192 474569193 /nfs/dbraw/zinc/56/91/93/474569193.db2.gz LPYLDEDTAAIYTD-UHFFFAOYSA-N -1 0 335.212 2.893 50 0 EFAARM Cc1nc2ccccc2n1CCC(=O)N[C@H](CC(=O)[O-])CC(C)C ZINC000252488415 474675822 /nfs/dbraw/zinc/67/58/22/474675822.db2.gz IRMCLPHBQXEHQN-AWEZNQCLSA-N -1 0 331.416 2.740 50 0 EFAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1coc(Br)c1 ZINC000299388462 476140112 /nfs/dbraw/zinc/14/01/12/476140112.db2.gz ZNDSTUZYBGNKLG-LSJOCFKGSA-N -1 0 342.189 2.900 50 0 EFAARM Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)C[C@@H]1CCCO1 ZINC000380018635 476733544 /nfs/dbraw/zinc/73/35/44/476733544.db2.gz SXBDMXDLICQAIG-VIFPVBQESA-N -1 0 342.189 2.963 50 0 EFAARM COCCn1c2ccc(C(=O)[O-])cc2nc1-c1ccc2c(c1)OCO2 ZINC000534647169 478166268 /nfs/dbraw/zinc/16/62/68/478166268.db2.gz FOCBWCGNXKLAQM-UHFFFAOYSA-N -1 0 340.335 2.777 50 0 EFAARM COc1nsc(CN=c2nc(C(C)C)[n-]s2)c1Br ZINC000585132582 479295007 /nfs/dbraw/zinc/29/50/07/479295007.db2.gz AQVCXSZSUQZEJY-UHFFFAOYSA-N -1 0 349.279 2.923 50 0 EFAARM CC(C)C[C@@H]1COCCN1C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000585134095 479294975 /nfs/dbraw/zinc/29/49/75/479294975.db2.gz DNBZYUUGTIGVQE-CYBMUJFWSA-N -1 0 344.411 2.682 50 0 EFAARM Cc1cc2oc(-c3ccc4c(c3)OCCO4)c(CC(=O)[O-])c2c(=O)[nH]1 ZINC000604404899 479514659 /nfs/dbraw/zinc/51/46/59/479514659.db2.gz IUWUCQXEXMMOFR-UHFFFAOYSA-N -1 0 341.319 2.907 50 0 biogenic EFAARM CCNc1nc(C)c(-c2nc(C3CCCC3)nn2CC(=O)[O-])s1 ZINC000097076360 520354353 /nfs/dbraw/zinc/35/43/53/520354353.db2.gz IIXKZXHLHSLXOJ-UHFFFAOYSA-N -1 0 335.433 2.884 50 0 EFAARM CCC1(CC)CN(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2)CCO1 ZINC000426727513 535262121 /nfs/dbraw/zinc/26/21/21/535262121.db2.gz PHHJTXBNZQPEEE-OAHLLOKOSA-N -1 0 334.416 2.721 50 0 EFAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)CCC(=O)c2ccc(F)cc2)C1 ZINC000215462289 536026831 /nfs/dbraw/zinc/02/68/31/536026831.db2.gz XFUCHGGGNXLQPZ-GOSISDBHSA-N -1 0 335.375 2.892 50 0 EFAARM COc1ccc(F)cc1[C@H](Nc1ccnc(C(=O)[O-])c1)[C@H]1C[C@@H](O)C1 ZINC000244773987 536639806 /nfs/dbraw/zinc/63/98/06/536639806.db2.gz PKCLHOVNKZCSMF-ANTHHZPCSA-N -1 0 346.358 2.852 50 0 EFAARM COCCc1nc([C@@H]2CC=CCC2)n(-c2ccc(C(=O)[O-])cc2)n1 ZINC000670461328 547493842 /nfs/dbraw/zinc/49/38/42/547493842.db2.gz FGKBWEWPIHNSKX-CYBMUJFWSA-N -1 0 327.384 2.978 50 0 EFAARM Cc1nc(C(C)(C)C)nc(NC[C@H](C(=O)[O-])C2CCOCC2)c1C ZINC000685941568 550197267 /nfs/dbraw/zinc/19/72/67/550197267.db2.gz ZJRSODDMEIAFGF-AWEZNQCLSA-N -1 0 335.448 2.930 50 0 EFAARM COc1cccc2c1CC[C@]2(NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000725269480 550198765 /nfs/dbraw/zinc/19/87/65/550198765.db2.gz UPDNNPFVAILJML-LJQANCHMSA-N -1 0 341.363 2.848 50 0 EFAARM C[C@@H]1Cc2cccc3c2n1c(=O)c(C(=O)Nc1cccc(O)c1)c3[O-] ZINC000199908618 564124815 /nfs/dbraw/zinc/12/48/15/564124815.db2.gz JASISGIQEUNBSK-SNVBAGLBSA-N -1 0 336.347 2.782 50 0 EFAARM O=C([O-])c1n[nH]c2c1CN(C(=O)c1ccc(-c3ccco3)cc1)CC2 ZINC000252500034 568419042 /nfs/dbraw/zinc/41/90/42/568419042.db2.gz SMFJGMVWWMCXHW-UHFFFAOYSA-N -1 0 337.335 2.566 50 0 EFAARM COc1ccccc1CN(Cc1cnc(C(=O)[O-])cn1)CC(C)C ZINC001772703107 1249285206 /nfs/dbraw/zinc/28/52/06/1249285206.db2.gz VGUGMNIOMVRYSP-UHFFFAOYSA-N -1 0 329.400 2.842 50 0 EFAARM Cc1nc(CN(CC(=O)[O-])C(=O)[C@H](c2ccccc2)C(C)C)c[nH]1 ZINC001772703590 1249286468 /nfs/dbraw/zinc/28/64/68/1249286468.db2.gz HCESDNSEGJCUOE-KRWDZBQOSA-N -1 0 329.400 2.571 50 0 EFAARM Cc1cc(N2C[C@@H]3COCC[C@]3(C(=O)[O-])C2)nc2ccc(F)cc12 ZINC001772708545 1249296168 /nfs/dbraw/zinc/29/61/68/1249296168.db2.gz BZJCOZJYSBKPMU-XIKOKIGWSA-N -1 0 330.359 2.610 50 0 EFAARM Cc1noc2c1[C@H](c1cc(Cl)ccc1OCC(=O)[O-])CC(=O)N2 ZINC000065370898 1270950031 /nfs/dbraw/zinc/95/00/31/1270950031.db2.gz NHJVHZGHXSHUSW-JTQLQIEISA-N -1 0 336.731 2.574 50 0 EFAARM COc1cc(C(=O)[O-])cc(N2CCC[C@@H](c3nccn3C(C)C)C2)n1 ZINC000095360485 1292076309 /nfs/dbraw/zinc/07/63/09/1292076309.db2.gz KOZUQLMBOCVFGP-CYBMUJFWSA-N -1 0 344.415 2.950 50 0 EFAARM CCN(Cc1noc(C2CC2)n1)[C@H](C(=O)[O-])c1cc(C)ccc1OC ZINC000055404583 1315013292 /nfs/dbraw/zinc/01/32/92/1315013292.db2.gz IGBUHUGMUCCRRU-INIZCTEOSA-N -1 0 345.399 2.912 50 0 EFAARM CCn1c(N[C@@H](C)c2nc(C(C)C)no2)nc2cc(C(=O)[O-])cnc21 ZINC001506395957 1405749797 /nfs/dbraw/zinc/74/97/97/1405749797.db2.gz KLWRBJRXUPCAGK-VIFPVBQESA-N -1 0 344.375 2.829 50 0 EFAARM CCCc1cc(CNc2nc3cc(C(=O)[O-])cnc3n2CC)on1 ZINC001506397501 1405750202 /nfs/dbraw/zinc/75/02/02/1405750202.db2.gz CZBQJSIQFYLPFA-UHFFFAOYSA-N -1 0 329.360 2.702 50 0 EFAARM CCc1csc(CNc2nc3cc(C(=O)[O-])cnc3n2CC)n1 ZINC001506426896 1405764861 /nfs/dbraw/zinc/76/48/61/1405764861.db2.gz JWVZVSHPECJGSW-UHFFFAOYSA-N -1 0 331.401 2.780 50 0 EFAARM CCC[C@]1(C(=O)[O-])CCN(C(=O)c2cccc3ccccc32)C[C@@H]1O ZINC001704304031 1417901825 /nfs/dbraw/zinc/90/18/25/1417901825.db2.gz KIMLMDXCWLDWFG-PXNSSMCTSA-N -1 0 341.407 2.918 50 0 EFAARM COc1ccc(-c2onc(N3CCO[C@@H](C4CC4)C3)c2C(=O)[O-])cc1 ZINC001704314162 1417905224 /nfs/dbraw/zinc/90/52/24/1417905224.db2.gz QTAGCPSTDMUEBN-CQSZACIVSA-N -1 0 344.367 2.664 50 0 EFAARM COc1cc(-c2onc(NC[C@@H]3CCOC3)c2C(=O)[O-])ccc1F ZINC001704314922 1417905478 /nfs/dbraw/zinc/90/54/78/1417905478.db2.gz YGNXKNVVDPPZIP-VIFPVBQESA-N -1 0 336.319 2.636 50 0 EFAARM O=C(c1ccccc1-c1nnn[n-]1)N1CCCC[C@H]1c1cccnc1 ZINC000097076264 1423356329 /nfs/dbraw/zinc/35/63/29/1423356329.db2.gz HXJKSUFNANSDOO-INIZCTEOSA-N -1 0 334.383 2.629 50 0 EFAARM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc2cc[nH]c2c1 ZINC000218438195 1423712032 /nfs/dbraw/zinc/71/20/32/1423712032.db2.gz PFUZYLQDDFZOTM-UHFFFAOYSA-N -1 0 332.367 2.620 50 0 EFAARM CN(Cc1noc(C2CCCC2)n1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000244691878 1424712472 /nfs/dbraw/zinc/71/24/72/1424712472.db2.gz JKPCODGYLFDMMW-UHFFFAOYSA-N -1 0 339.403 2.539 50 0 EFAARM Cc1c(OCc2nn[n-]n2)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000004294857 1450118788 /nfs/dbraw/zinc/11/87/88/1450118788.db2.gz OIWWRKQOOFJTQH-UHFFFAOYSA-N -1 0 334.335 2.861 50 0 biogenic EFAARM CCc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000000000310 1024376102 /nfs/dbraw/zinc/37/61/02/1024376102.db2.gz PPQZABOURJVKNI-PKOBYXMFSA-N -1 0 331.362 2.987 50 0 in-man EFAARM C=CCn1c2ccccc2c([O-])c(C(=O)Nc2ncc(C)s2)c1=O ZINC000006557112 1098107267 /nfs/dbraw/zinc/10/72/67/1098107267.db2.gz FJTSVEZCNNZHGZ-UHFFFAOYSA-N -1 0 341.392 2.910 50 0 EFAARM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000052508245 214131287 /nfs/dbraw/zinc/13/12/87/214131287.db2.gz ZHOWDGHEJAOBGL-QWRGUYRKSA-N -1 0 344.408 2.569 50 0 EFAARM O=C([O-])C[C@H](NC(=O)CCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000004720671 210259094 /nfs/dbraw/zinc/25/90/94/210259094.db2.gz YDLVDMUKKCZZHI-HNNXBMFYSA-N -1 0 341.363 2.680 50 0 EFAARM C[C@H](C(=O)[O-])N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O ZINC000004703674 210253256 /nfs/dbraw/zinc/25/32/56/210253256.db2.gz OQLREDZXXMDXOE-GFCCVEGCSA-N -1 0 335.381 2.718 50 0 EFAARM CC1=C(c2ccccc2)[C@@H]1c1nc(-c2ccncc2)nn1CC(=O)[O-] ZINC000097729488 219051304 /nfs/dbraw/zinc/05/13/04/219051304.db2.gz ZQJKFQMHHJWIII-QGZVFWFLSA-N -1 0 332.363 2.996 50 0 EFAARM C[C@@H](Cn1cccn1)n1cc(Oc2ccccc2)c(=O)c(C(=O)[O-])c1 ZINC000055089376 214270436 /nfs/dbraw/zinc/27/04/36/214270436.db2.gz SAQLNSSHAJQJAS-ZDUSSCGKSA-N -1 0 339.351 2.797 50 0 EFAARM O=C([O-])CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 ZINC000004690144 210248518 /nfs/dbraw/zinc/24/85/18/210248518.db2.gz TWTQLZIRPFSPNO-UHFFFAOYSA-N -1 0 325.773 2.620 50 0 EFAARM Cc1nnc(SCC(=O)O[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)[n-]c1=O ZINC000004674192 210243318 /nfs/dbraw/zinc/24/33/18/210243318.db2.gz FGAJNXKYPNIMFS-GDLVEWKHSA-N -1 0 337.445 2.736 50 0 EFAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)cc2)cc1OC ZINC000004653714 210238503 /nfs/dbraw/zinc/23/85/03/210238503.db2.gz XZPQJLOHGVKJTI-HNNXBMFYSA-N -1 0 343.379 2.958 50 0 EFAARM CCOC(=O)c1cc(=O)c2c3c(cc(OC)c2[n-]1)c(C)c(C)n3C ZINC000004632307 210235432 /nfs/dbraw/zinc/23/54/32/210235432.db2.gz DFALQCFXNJQZNR-UHFFFAOYSA-N -1 0 328.368 2.822 50 0 EFAARM Cc1cccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)c1 ZINC000004483476 210199469 /nfs/dbraw/zinc/19/94/69/210199469.db2.gz KJHGNUMMYZWLOV-CVEARBPZSA-N -1 0 338.342 2.628 50 0 EFAARM CCCn1c(=O)c(C(=O)NCc2ccco2)c([O-])c2ccccc21 ZINC000100512592 219100908 /nfs/dbraw/zinc/10/09/08/219100908.db2.gz UGRIZZSHHPAEDO-UHFFFAOYSA-N -1 0 326.352 2.640 50 0 EFAARM Cn1c(=O)c(C(=O)NCc2ccccc2Cl)c([O-])c2ccccc21 ZINC000100508332 219101064 /nfs/dbraw/zinc/10/10/64/219101064.db2.gz WINPTPZEHIJUNH-UHFFFAOYSA-N -1 0 342.782 2.828 50 0 EFAARM O=C(NCc1ccc(Cl)cc1)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000049409553 214005722 /nfs/dbraw/zinc/00/57/22/214005722.db2.gz XJSVYZOZWAEIGA-UHFFFAOYSA-N -1 0 334.784 2.879 50 0 EFAARM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000003307207 297232803 /nfs/dbraw/zinc/23/28/03/297232803.db2.gz IFXSWTIWFGIXQO-NXEZZACHSA-N -1 0 331.821 2.705 50 0 EFAARM CN1C(=O)S/C(=C/c2cccn2-c2cccc(C(=O)[O-])c2)C1=O ZINC000004464729 210195468 /nfs/dbraw/zinc/19/54/68/210195468.db2.gz RHCSRIZWNIZTNG-UKTHLTGXSA-N -1 0 328.349 2.842 50 0 EFAARM COc1cc(S(=O)(=O)[N-]c2ccncc2)c(OC)cc1Cl ZINC000004371797 210182317 /nfs/dbraw/zinc/18/23/17/210182317.db2.gz JHEWIUGDXODDHW-UHFFFAOYSA-N -1 0 328.777 2.553 50 0 EFAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4)c=3c2=O)cc1 ZINC000101167679 219118167 /nfs/dbraw/zinc/11/81/67/219118167.db2.gz XFBRFKLJYBBGNZ-IRXDYDNUSA-N -1 0 334.379 2.742 50 0 EFAARM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4cccc(F)c4)c(=O)c2=3)cc1C ZINC000101277760 219121664 /nfs/dbraw/zinc/12/16/64/219121664.db2.gz QYVPQPXQQFTWDR-JKSUJKDBSA-N -1 0 338.342 2.940 50 0 EFAARM COc1ccc(C(=O)c2c(C)[n-]n(-c3ccccc3)c2=O)cc1OC ZINC000101348332 219123273 /nfs/dbraw/zinc/12/32/73/219123273.db2.gz WSWTXNNLSVTNCN-QGZVFWFLSA-N -1 0 338.363 2.925 50 0 EFAARM COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(CC(=O)[O-])cc1 ZINC000004331322 210173070 /nfs/dbraw/zinc/17/30/70/210173070.db2.gz BHFUMEFSDYBZPR-KRWDZBQOSA-N -1 0 343.335 2.612 50 0 EFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(F)cc4)c=3c2=O)cc1 ZINC000101417400 219126819 /nfs/dbraw/zinc/12/68/19/219126819.db2.gz MDLUUSJWJCMYRP-JKSUJKDBSA-N -1 0 338.342 2.628 50 0 EFAARM Cc1[n-]n([C@@H]2CCS(=O)(=O)C2)c(=O)c1Cc1ccccc1Cl ZINC000101449728 219127282 /nfs/dbraw/zinc/12/72/82/219127282.db2.gz LEYKJPVCLVVSKF-GFCCVEGCSA-N -1 0 340.832 2.501 50 0 EFAARM Cc1cc(C)c(NC(=O)C[C@H](NCc2ccco2)C(=O)[O-])c(C)c1 ZINC000004318942 210169426 /nfs/dbraw/zinc/16/94/26/210169426.db2.gz YTJIVCQUHWBOSS-HNNXBMFYSA-N -1 0 330.384 2.776 50 0 EFAARM O=C([O-])C[C@@H](NC(=O)OCc1ccccc1)c1ccc2c(c1)OCO2 ZINC000004014664 210099700 /nfs/dbraw/zinc/09/97/00/210099700.db2.gz BVOXWAQFSMYEDZ-CQSZACIVSA-N -1 0 343.335 2.858 50 0 EFAARM COc1ccccc1[N-]S(=O)(=O)c1cc(N)ccc1N1CCCC1 ZINC000003885398 210083754 /nfs/dbraw/zinc/08/37/54/210083754.db2.gz PSBGOCIZSKXNGC-UHFFFAOYSA-N -1 0 347.440 2.678 50 0 EFAARM CO[C@](F)(C(=O)Nc1cccc(Cl)c1C(=O)[O-])C(F)(F)F ZINC000003672554 210073291 /nfs/dbraw/zinc/07/32/91/210073291.db2.gz HRJXQUCPJJNAFT-SNVBAGLBSA-N -1 0 329.633 2.851 50 0 EFAARM CSc1nc2ccccc2c(=O)n1Cc1ccc(C(=O)[O-])cc1 ZINC000067172766 215120451 /nfs/dbraw/zinc/12/04/51/215120451.db2.gz PPNCENBJAPFDJD-UHFFFAOYSA-N -1 0 326.377 2.865 50 0 EFAARM CCOc1ccc(NC(=O)COc2ccc(C(=O)[O-])cc2OC)cc1 ZINC000003246569 209987395 /nfs/dbraw/zinc/98/73/95/209987395.db2.gz MFNCHZRQDXJOAT-UHFFFAOYSA-N -1 0 345.351 2.810 50 0 EFAARM O=C([O-])[C@@H](NC(=O)OCC(Cl)(Cl)Cl)c1ccccc1 ZINC000003126237 209968353 /nfs/dbraw/zinc/96/83/53/209968353.db2.gz LROKCBKQEZCUKI-QMMMGPOBSA-N -1 0 326.563 2.909 50 0 EFAARM Cc1n[nH]c(C)c1[C@H](NC(=O)c1cccc2c(C)c(C)[nH]c21)C(=O)[O-] ZINC000067851316 215231997 /nfs/dbraw/zinc/23/19/97/215231997.db2.gz FQDSFRGOXRAKKD-INIZCTEOSA-N -1 0 340.383 2.680 50 0 EFAARM Cc1c(C(=O)[O-])sc2ncnc(N[C@@H](CO)c3ccccc3)c12 ZINC000067967230 215263068 /nfs/dbraw/zinc/26/30/68/215263068.db2.gz PKZWZVWXVJYEPS-NSHDSACASA-N -1 0 329.381 2.843 50 0 EFAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1nn2cccnc2c1Cl ZINC000002792662 209913471 /nfs/dbraw/zinc/91/34/71/209913471.db2.gz XNQSVHNBUDMAAY-UHFFFAOYSA-N -1 0 330.731 2.642 50 0 EFAARM O=S(=O)([N-]c1ccc(Br)cn1)c1cccc(F)c1 ZINC000068038564 215272154 /nfs/dbraw/zinc/27/21/54/215272154.db2.gz VSVFINQKNZTRPP-UHFFFAOYSA-N -1 0 331.166 2.784 50 0 EFAARM Cc1ccc(Cn2cnc([N-]S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000002777885 209910245 /nfs/dbraw/zinc/91/02/45/209910245.db2.gz BGKQTYAXWUYWNT-UHFFFAOYSA-N -1 0 342.424 2.744 50 0 EFAARM CCc1cc(C(=O)OC)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])s1 ZINC000002759082 209903704 /nfs/dbraw/zinc/90/37/04/209903704.db2.gz WHHHZIQDUZQHJX-MNOVXSKESA-N -1 0 337.397 2.703 50 0 EFAARM CCOC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc2c1CC[C@H](C)C2 ZINC000002295761 209839024 /nfs/dbraw/zinc/83/90/24/209839024.db2.gz LEIWMYCZTYXTJQ-UCUJLANTSA-N -1 0 337.397 2.629 50 0 EFAARM O=C([O-])CCc1nc2ccccc2c2nc(Cc3ccccc3)nn21 ZINC000040555394 213350192 /nfs/dbraw/zinc/35/01/92/213350192.db2.gz LJMOSWFCOXBWCA-UHFFFAOYSA-N -1 0 332.363 2.886 50 0 EFAARM O=C([O-])CN1C(=O)S/C(=C\c2ccc(Br)cc2)C1=O ZINC000001774578 209791570 /nfs/dbraw/zinc/79/15/70/209791570.db2.gz YZXSZFJZFHSKAG-UITAMQMPSA-N -1 0 342.170 2.570 50 0 EFAARM COc1cccc2c1ccn2CC(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000040287823 213288669 /nfs/dbraw/zinc/28/86/69/213288669.db2.gz PJCBHUVTFNAJDL-UHFFFAOYSA-N -1 0 338.363 2.665 50 0 EFAARM O=C([O-])C1CCN(c2nc(C(F)(F)F)nc3ccccc32)CC1 ZINC000000151350 304042395 /nfs/dbraw/zinc/04/23/95/304042395.db2.gz YUIVXBUAFURPCL-UHFFFAOYSA-N -1 0 325.290 2.950 50 0 EFAARM O=C([O-])CCN1C(=O)S/C(=C/C2=Cc3ccccc3OC2)C1=O ZINC000012902363 304052823 /nfs/dbraw/zinc/05/28/23/304052823.db2.gz PACFMSWVVSHZDZ-MDWZMJQESA-N -1 0 331.349 2.516 50 0 biogenic EFAARM CCOc1cc(C(=O)[O-])cc(I)c1OCC ZINC000000479872 209628359 /nfs/dbraw/zinc/62/83/59/209628359.db2.gz BHDWDOUDDPRZBW-UHFFFAOYSA-N -1 0 336.125 2.787 50 0 EFAARM O=C([O-])COc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000000470581 209621091 /nfs/dbraw/zinc/62/10/91/209621091.db2.gz WEBGXDLTJWHSSK-UHFFFAOYSA-N -1 0 335.743 2.821 50 0 EFAARM O=C([O-])CCn1cc([C@H](C(=O)[O-])[NH+]2CCCCC2)c2ccc(F)cc21 ZINC000036366360 304065330 /nfs/dbraw/zinc/06/53/30/304065330.db2.gz AQHZSRNPPYFFLS-QGZVFWFLSA-N -1 0 348.374 2.867 50 0 EFAARM CC[C@H](C)[C@@H](NC(=O)N1CCc2c3ccccc3[nH]c2C1)C(=O)[O-] ZINC000036579983 213100789 /nfs/dbraw/zinc/10/07/89/213100789.db2.gz RACJZOSPZFRWNM-MEDUHNTESA-N -1 0 329.400 2.735 50 0 EFAARM O=C([O-])C1CCN(C(=O)Cc2csc(-c3ccccc3F)n2)CC1 ZINC000036360253 213089721 /nfs/dbraw/zinc/08/97/21/213089721.db2.gz XDCSMQAPQYCQCY-UHFFFAOYSA-N -1 0 348.399 2.815 50 0 EFAARM COc1ccccc1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000036180606 213075655 /nfs/dbraw/zinc/07/56/55/213075655.db2.gz XDYLHXCQCHHEFV-UHFFFAOYSA-N -1 0 325.361 2.655 50 0 EFAARM O=C([O-])c1nnn(Cc2ccc(F)cc2Cl)c1-c1cccnc1 ZINC000070457004 215694918 /nfs/dbraw/zinc/69/49/18/215694918.db2.gz VJEZUMBYVFTGJR-UHFFFAOYSA-N -1 0 332.722 2.879 50 0 EFAARM CN(CCc1noc(-c2ccc(C(=O)[O-])cc2)n1)C(=O)OC(C)(C)C ZINC000034928856 213000666 /nfs/dbraw/zinc/00/06/66/213000666.db2.gz CJTULGWMMDHLCX-UHFFFAOYSA-N -1 0 347.371 2.844 50 0 EFAARM O=C([O-])C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 ZINC000000249143 304081188 /nfs/dbraw/zinc/08/11/88/304081188.db2.gz PKPITNALFNRYTK-NWDGAFQWSA-N -1 0 331.290 2.914 50 0 EFAARM O=C([O-])C=Cc1cccc(N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)c1 ZINC000004844770 295983581 /nfs/dbraw/zinc/98/35/81/295983581.db2.gz ANBPDQVBHMMILL-HMJDLUCASA-N -1 0 331.755 2.807 50 0 EFAARM O=C([O-])CCCNC(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000032071765 212785274 /nfs/dbraw/zinc/78/52/74/212785274.db2.gz HAAOVHMQXMKSRS-UHFFFAOYSA-N -1 0 338.816 2.987 50 0 EFAARM O=C([O-])c1ccc(C[C@H]2CCCN(C(=O)Cc3cccnc3)C2)cc1 ZINC000072136982 216025463 /nfs/dbraw/zinc/02/54/63/216025463.db2.gz ADLNQQFLDYPBCO-QGZVFWFLSA-N -1 0 338.407 2.804 50 0 EFAARM CCc1ccccc1OC1CN(Cc2ccccc2OCC(=O)[O-])C1 ZINC000072146998 216034364 /nfs/dbraw/zinc/03/43/64/216034364.db2.gz GZKCGBPCCIQYDA-UHFFFAOYSA-N -1 0 341.407 2.976 50 0 EFAARM O=C([O-])Cc1cc(C(F)(F)F)ccc1I ZINC000149476441 304088485 /nfs/dbraw/zinc/08/84/85/304088485.db2.gz SQXUEKCSIQRSEV-UHFFFAOYSA-N -1 0 330.043 2.937 50 0 EFAARM COc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)ccc1OC(C)=O ZINC000000313021 209529917 /nfs/dbraw/zinc/52/99/17/209529917.db2.gz JQGFAXIHUAJDDX-UHFFFAOYSA-N -1 0 329.308 2.571 50 0 EFAARM CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)[O-] ZINC000072328100 216152222 /nfs/dbraw/zinc/15/22/22/216152222.db2.gz DEGIGVAFRWZYOY-UHFFFAOYSA-N -1 0 347.440 2.933 50 0 EFAARM CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000000204345 209482137 /nfs/dbraw/zinc/48/21/37/209482137.db2.gz LCJWCMWXATXVLP-UHFFFAOYSA-N -1 0 337.401 2.831 50 0 EFAARM CCCOC(=O)N1CCC(C(=O)[O-])(n2ccc(-c3ccco3)n2)CC1 ZINC000072418218 216206920 /nfs/dbraw/zinc/20/69/20/216206920.db2.gz HDJYYERYLHOSPG-UHFFFAOYSA-N -1 0 347.371 2.565 50 0 EFAARM O=C([O-])c1ccc(N2C(=O)C[C@H](Nc3ccc(Cl)cc3)C2=O)cc1 ZINC000000077047 209404936 /nfs/dbraw/zinc/40/49/36/209404936.db2.gz KBFPUUYIBBJCDE-AWEZNQCLSA-N -1 0 344.754 2.782 50 0 EFAARM CC[C@@H](Nc1nccc(-c2cc(C(=O)[O-])ccn2)n1)c1ccnn1C ZINC000072428560 216221128 /nfs/dbraw/zinc/22/11/28/216221128.db2.gz BPQYEGCCYHUNEP-GFCCVEGCSA-N -1 0 338.371 2.534 50 0 EFAARM CCc1cc(N2CCC(Oc3ccccc3F)(C(=O)[O-])CC2)ncn1 ZINC000072430054 216221783 /nfs/dbraw/zinc/22/17/83/216221783.db2.gz QJFRJWSZXTYZBA-UHFFFAOYSA-N -1 0 345.374 2.681 50 0 EFAARM O=C(CCc1cc(=O)[n-]o1)N1CCC[C@H](COc2ccccc2F)C1 ZINC000072431030 216223064 /nfs/dbraw/zinc/22/30/64/216223064.db2.gz ZBOOQSYMECIMKH-ZDUSSCGKSA-N -1 0 348.374 2.770 50 0 EFAARM Cc1ccnc(N2CCC(Oc3ccc(F)cc3C)(C(=O)[O-])CC2)n1 ZINC000072433720 216228200 /nfs/dbraw/zinc/22/82/00/216228200.db2.gz ZRGXROPQPUPALP-UHFFFAOYSA-N -1 0 345.374 2.735 50 0 EFAARM Cc1oc(-c2cccs2)nc1CN1CCc2nc[nH]c2[C@@H]1C(=O)[O-] ZINC000072434551 216229591 /nfs/dbraw/zinc/22/95/91/216229591.db2.gz OXUAOUCTPYLEHK-CQSZACIVSA-N -1 0 344.396 2.619 50 0 EFAARM Cc1ccc(F)c(OC2(C(=O)[O-])CCN(C(=O)c3ccco3)CC2)c1 ZINC000072454174 216240818 /nfs/dbraw/zinc/24/08/18/216240818.db2.gz IJLVSSYNWVSWFV-UHFFFAOYSA-N -1 0 347.342 2.866 50 0 EFAARM CCOc1ccccc1CN1CCCn2nc(CCC(=O)[O-])cc2C1 ZINC000072457550 216243183 /nfs/dbraw/zinc/24/31/83/216243183.db2.gz OOCGAEXPKIRLNH-UHFFFAOYSA-N -1 0 343.427 2.705 50 0 EFAARM O=C([O-])CNc1cc(-c2ncnc3ccsc32)c2cc[nH]c2n1 ZINC000072469662 216249249 /nfs/dbraw/zinc/24/92/49/216249249.db2.gz JMZUUZZMVXGFCY-UHFFFAOYSA-N -1 0 325.353 2.731 50 0 EFAARM CCC[C@@H]1CN(C(=O)CCc2ccc(OC)c(OC)c2)C[C@H]1C(=O)[O-] ZINC000091255056 283631720 /nfs/dbraw/zinc/63/17/20/283631720.db2.gz UYBCDAQIUMOYDS-HUUCEWRRSA-N -1 0 349.427 2.596 50 0 EFAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000013027842 304115063 /nfs/dbraw/zinc/11/50/63/304115063.db2.gz QYPJJFLCGVMSQE-INIZCTEOSA-N -1 0 337.441 2.972 50 0 EFAARM Cc1cccc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)c1 ZINC000023125727 212351074 /nfs/dbraw/zinc/35/10/74/212351074.db2.gz SXYUEWWGSQBQGB-HZPDHXFCSA-N -1 0 338.342 2.940 50 0 EFAARM O=C([O-])[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC000022209522 212282204 /nfs/dbraw/zinc/28/22/04/212282204.db2.gz NQFMXLKOWKQYMG-HNNXBMFYSA-N -1 0 348.196 2.934 50 0 EFAARM O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1CCCC[C@@H]1c1ccccn1 ZINC000215146326 241108731 /nfs/dbraw/zinc/10/87/31/241108731.db2.gz GVLTULRAJIYVOQ-GOSISDBHSA-N -1 0 348.406 2.928 50 0 EFAARM Cc1nc(N(C)C)nc(C)c1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000207976531 241063692 /nfs/dbraw/zinc/06/36/92/241063692.db2.gz HTSGMYDKOYEMAI-UHFFFAOYSA-N -1 0 340.836 2.614 50 0 EFAARM CN1C(=O)C[C@@H](CNC(=O)c2ccc([O-])c(Cl)c2)c2ccccc21 ZINC000215595672 241133818 /nfs/dbraw/zinc/13/38/18/241133818.db2.gz MSLNTCVDVJIVIY-LBPRGKRZSA-N -1 0 344.798 2.926 50 0 EFAARM Cc1ccc(F)c(C(=O)NCCc2nc(C(=O)[O-])cs2)c1Cl ZINC000219041218 241362176 /nfs/dbraw/zinc/36/21/76/241362176.db2.gz FKRSXTGGGDNQPU-UHFFFAOYSA-N -1 0 342.779 2.915 50 0 EFAARM NS(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)c(C(=O)[O-])c1 ZINC000021950764 212266159 /nfs/dbraw/zinc/26/61/59/212266159.db2.gz RAYDPBBVBXFQFG-UHFFFAOYSA-N -1 0 345.298 2.718 50 0 EFAARM COc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)c(OC)c1 ZINC000021316624 212219937 /nfs/dbraw/zinc/21/99/37/212219937.db2.gz XNJIUCOBGBLBBU-UHFFFAOYSA-N -1 0 329.324 2.783 50 0 EFAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)c3cccc(N4Cc5ccccc5C4)c3)C[C@@H]21 ZINC000244794539 243082539 /nfs/dbraw/zinc/08/25/39/243082539.db2.gz QOQANMXTLVUOSK-BWTSREIZSA-N -1 0 348.402 2.609 50 0 EFAARM COc1ccc2c(ccn2CCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000020760863 212170569 /nfs/dbraw/zinc/17/05/69/212170569.db2.gz NAGAJTRNGMPAGM-HNNXBMFYSA-N -1 0 332.400 2.656 50 0 biogenic EFAARM Cc1nc(C)c(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1 ZINC000020762090 212170629 /nfs/dbraw/zinc/17/06/29/212170629.db2.gz FGSNGDKRDOZNNC-AWEZNQCLSA-N -1 0 343.408 2.667 50 0 biogenic EFAARM COc1ccccc1-c1nc(CC(=O)N[C@H](C(=O)[O-])C(C)C)cs1 ZINC000020745258 212168477 /nfs/dbraw/zinc/16/84/77/212168477.db2.gz FRQQOVOZMOVFNI-HNNXBMFYSA-N -1 0 348.424 2.587 50 0 EFAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000020718191 212163628 /nfs/dbraw/zinc/16/36/28/212163628.db2.gz FSSMDRHHFAUHAH-LKFCYVNXSA-N -1 0 336.775 2.744 50 0 EFAARM O=C([O-])CCCNC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000020724656 212165002 /nfs/dbraw/zinc/16/50/02/212165002.db2.gz SGLIPVCCYASLIM-UHFFFAOYSA-N -1 0 338.816 2.987 50 0 EFAARM C[C@H](NC(=O)c1nn(C)cc1C(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000020614876 212155988 /nfs/dbraw/zinc/15/59/88/212155988.db2.gz ZMIVFOSBSWOSFN-NSHDSACASA-N -1 0 329.400 2.907 50 0 EFAARM C[C@H](NC(=O)c1c(C(=O)[O-])cnn1C)c1ccc(C(C)(C)C)cc1 ZINC000020615023 212155696 /nfs/dbraw/zinc/15/56/96/212155696.db2.gz SEKNYGIALBDVTG-NSHDSACASA-N -1 0 329.400 2.907 50 0 EFAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(F)cc2nc[nH]c21 ZINC000262160073 304144082 /nfs/dbraw/zinc/14/40/82/304144082.db2.gz PNAXYGGRTLFQLN-FZZIBODNSA-N -1 0 331.347 2.560 50 0 EFAARM Cc1cc(C)n([C@H]2CCN(Cc3nc(=O)c4sccc4[n-]3)C2)n1 ZINC000253536636 244012676 /nfs/dbraw/zinc/01/26/76/244012676.db2.gz JAFQOPXLCZOAON-LBPRGKRZSA-N -1 0 329.429 2.657 50 0 EFAARM Cc1noc([C@@H]2CCCCN2Cc2nc(=O)c3sccc3[n-]2)n1 ZINC000253536281 244013490 /nfs/dbraw/zinc/01/34/90/244013490.db2.gz COUKTVLTGDGTEW-NSHDSACASA-N -1 0 331.401 2.816 50 0 EFAARM Cc1c[nH]nc1C1CCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000253536740 244017065 /nfs/dbraw/zinc/01/70/65/244017065.db2.gz MTXOGPCJUVJITK-UHFFFAOYSA-N -1 0 329.429 2.808 50 0 EFAARM CCn1ncc(-c2cc(C(F)F)c3c(C)nn(CC(=O)[O-])c3n2)c1C ZINC000020349785 212121830 /nfs/dbraw/zinc/12/18/30/212121830.db2.gz JUULXTGJKUBNJF-UHFFFAOYSA-N -1 0 349.341 2.954 50 0 EFAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)c2cc(Cl)sc2Cl)C1 ZINC000020285200 212116739 /nfs/dbraw/zinc/11/67/39/212116739.db2.gz ZAVLSGJNCZPQRC-LURJTMIESA-N -1 0 344.241 2.540 50 0 EFAARM CCOC(=O)c1cnn(-c2ccc(C(=O)[O-])cc2)c1C(F)(F)F ZINC000020283744 212116072 /nfs/dbraw/zinc/11/60/72/212116072.db2.gz AGGCCHPHJBMNRL-UHFFFAOYSA-N -1 0 328.246 2.766 50 0 EFAARM Cc1nc2n(n1)[C@@H](c1ccc(OCCC(C)C)cc1)CC(C(=O)[O-])=N2 ZINC000019962546 212090491 /nfs/dbraw/zinc/09/04/91/212090491.db2.gz QALWXYBYPBJJCZ-MRXNPFEDSA-N -1 0 342.399 2.995 50 0 EFAARM Cc1c(C(=O)[O-])sc2ncn(CCCOc3ccccc3)c(=O)c12 ZINC000019620876 212051783 /nfs/dbraw/zinc/05/17/83/212051783.db2.gz MUFLYSVZURWAEV-UHFFFAOYSA-N -1 0 344.392 2.934 50 0 EFAARM Cc1sc(NC(=O)CCC(=O)[O-])c(C(N)=O)c1-c1ccc(C)cc1 ZINC000017072096 211953178 /nfs/dbraw/zinc/95/31/78/211953178.db2.gz WASAAVUVKWXNFT-UHFFFAOYSA-N -1 0 346.408 2.934 50 0 EFAARM CC/C=C\C[C@H](O)[C@H](O)/C=C/[C@@H](O)CCCCCCCC(=O)[O-] ZINC000014815686 211766066 /nfs/dbraw/zinc/76/60/66/211766066.db2.gz MKYUCBXUUSZMQB-OADLNGDBSA-N -1 0 328.449 2.797 50 0 endogenous,in-man EFAARM CCCc1nc2ccccc2n1[C@H](CC)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000426428337 247279616 /nfs/dbraw/zinc/27/96/16/247279616.db2.gz NUHBEXUTALGWNP-VNHYZAJKSA-N -1 0 343.427 2.919 50 0 EFAARM COCCN(Cc1cccc2ccccc21)C(=O)NC1(C(=O)[O-])CC1 ZINC000426504130 247288485 /nfs/dbraw/zinc/28/84/85/247288485.db2.gz XHGDHEFZJUZVQV-UHFFFAOYSA-N -1 0 342.395 2.615 50 0 EFAARM Cc1ccn(-c2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])cc2)n1 ZINC000012463169 211389896 /nfs/dbraw/zinc/38/98/96/211389896.db2.gz KTAFSCILAPJFID-HZPDHXFCSA-N -1 0 325.368 2.786 50 0 EFAARM CC(C)=CCC/C(C)=C/CN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@@H]3C1=O ZINC000012379222 211360669 /nfs/dbraw/zinc/36/06/69/211360669.db2.gz QUOGRGMWDHAAQO-LJIXWHIBSA-N -1 0 331.412 2.546 50 0 EFAARM CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000012403822 211369566 /nfs/dbraw/zinc/36/95/66/211369566.db2.gz UDFDHFMNSUOURS-HOTGVXAUSA-N -1 0 346.427 2.998 50 0 EFAARM CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000012403823 211368668 /nfs/dbraw/zinc/36/86/68/211368668.db2.gz UDFDHFMNSUOURS-HZPDHXFCSA-N -1 0 346.427 2.998 50 0 EFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000012252089 211330601 /nfs/dbraw/zinc/33/06/01/211330601.db2.gz OHHYVIILIIXFGU-UHFFFAOYSA-N -1 0 335.381 2.657 50 0 EFAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(C)cc2OC)C1 ZINC000091364699 217997191 /nfs/dbraw/zinc/99/71/91/217997191.db2.gz QAROBRYBNHNMHF-IBGZPJMESA-N -1 0 349.427 2.737 50 0 EFAARM Cc1cc(N2C[C@H]3CCC[C@@]3(CO)C2)nc(-c2ccccc2[O-])n1 ZINC000091468441 218010488 /nfs/dbraw/zinc/01/04/88/218010488.db2.gz MQXZUMQMHDFDMD-KUHUBIRLSA-N -1 0 325.412 2.756 50 0 EFAARM Cc1noc(C)c1CCC(=O)N1CCC[C@@](CC2CC2)(C(=O)[O-])C1 ZINC000091486862 218013234 /nfs/dbraw/zinc/01/32/34/218013234.db2.gz JZUYLOCLETWVCU-SFHVURJKSA-N -1 0 334.416 2.718 50 0 EFAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 ZINC000091551565 218021573 /nfs/dbraw/zinc/02/15/73/218021573.db2.gz ZICLBKOBLKVXKO-LJQANCHMSA-N -1 0 344.411 2.902 50 0 EFAARM O=C([O-])c1cccc(S(=O)(=O)Oc2cccc3cccnc32)c1 ZINC000011851942 211259002 /nfs/dbraw/zinc/25/90/02/211259002.db2.gz AVDLPUYMJXHTLL-UHFFFAOYSA-N -1 0 329.333 2.701 50 0 EFAARM O=C([O-])c1nnn(-c2ccc(Br)cc2)c1[C@@H]1CCCO1 ZINC000011730674 211241106 /nfs/dbraw/zinc/24/11/06/211241106.db2.gz NWGPADYBWJFXDI-JTQLQIEISA-N -1 0 338.161 2.580 50 0 EFAARM COCCC[C@]1(C(=O)[O-])CCCN(c2nccc(C(F)(F)F)n2)C1 ZINC000091808713 218069480 /nfs/dbraw/zinc/06/94/80/218069480.db2.gz ZXZZFXUKUWFNIP-CQSZACIVSA-N -1 0 347.337 2.593 50 0 EFAARM CCC[C@@H]1CN(C(=O)CCC(=O)c2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC000091895884 218085712 /nfs/dbraw/zinc/08/57/12/218085712.db2.gz JWCWFPDWSJFJAN-UKRRQHHQSA-N -1 0 335.375 2.748 50 0 EFAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 ZINC000010342333 211167107 /nfs/dbraw/zinc/16/71/07/211167107.db2.gz YQSWTMNPPWLBEW-UHFFFAOYSA-N -1 0 347.318 2.793 50 0 EFAARM O=C(c1ccccc1[N-]S(=O)(=O)C1CCCCC1)N1CCCC1 ZINC000010314853 211162556 /nfs/dbraw/zinc/16/25/56/211162556.db2.gz ZVCBIBCGPNFDGI-UHFFFAOYSA-N -1 0 336.457 2.997 50 0 EFAARM O=C([O-])c1n[nH]c(-c2ccc(F)cc2)c1I ZINC000216628262 304216051 /nfs/dbraw/zinc/21/60/51/304216051.db2.gz GGVISPZVMFVQSE-UHFFFAOYSA-N -1 0 332.072 2.519 50 0 EFAARM Cc1c(C)n(Cc2ccco2)c2ncnc(NCCCC(=O)[O-])c12 ZINC000009970661 211137831 /nfs/dbraw/zinc/13/78/31/211137831.db2.gz MRCFIUXRXYDGIO-UHFFFAOYSA-N -1 0 328.372 2.966 50 0 EFAARM CCOCCOc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000009878509 211130460 /nfs/dbraw/zinc/13/04/60/211130460.db2.gz WHBOOWNHFQLMRG-CVEARBPZSA-N -1 0 335.400 2.931 50 0 EFAARM O=C([O-])CCNC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009483778 211090977 /nfs/dbraw/zinc/09/09/77/211090977.db2.gz UFBRIDPVHSNLDI-UHFFFAOYSA-N -1 0 333.413 2.660 50 0 EFAARM CC(C)Cc1nnc(NC(=O)c2c(=O)[nH]c3ccccc3c2[O-])s1 ZINC000009328996 211070065 /nfs/dbraw/zinc/07/00/65/211070065.db2.gz JQQSJCKHZBRTDJ-UHFFFAOYSA-N -1 0 344.396 2.536 50 0 EFAARM COc1ccc(Cc2n[n-]c(N[C@H](C)c3ccccc3)nc2=O)cc1 ZINC000009168783 211048598 /nfs/dbraw/zinc/04/85/98/211048598.db2.gz TWRCRXUKPBQKIQ-CYBMUJFWSA-N -1 0 336.395 2.937 50 0 EFAARM COCc1cc(CN(C)[C@@H](C(=O)[O-])c2ccccc2SC)[nH]n1 ZINC000095363226 218295513 /nfs/dbraw/zinc/29/55/13/218295513.db2.gz XLMRWPBNLKJHIK-OAHLLOKOSA-N -1 0 335.429 2.536 50 0 EFAARM CCc1ccc(CN(C)[C@H](C(=O)[O-])c2c(OC)cccc2OC)nc1 ZINC000095368549 218301867 /nfs/dbraw/zinc/30/18/67/218301867.db2.gz QTSRYUIUTAFODN-SFHVURJKSA-N -1 0 344.411 2.919 50 0 EFAARM O=C([O-])c1ccc(CNC(=O)c2cnc(Nc3ccccc3)nc2)cc1 ZINC000095382742 218314744 /nfs/dbraw/zinc/31/47/44/218314744.db2.gz OBLSJOROLPYCOX-UHFFFAOYSA-N -1 0 348.362 2.848 50 0 EFAARM CCc1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])ccc1OC ZINC000008845850 211011276 /nfs/dbraw/zinc/01/12/76/211011276.db2.gz IIDWITYBHHCFGJ-UHFFFAOYSA-N -1 0 335.381 2.757 50 0 EFAARM Cc1nn(CCn2cc(-c3ccccc3C(=O)[O-])nn2)c(C)c1Cl ZINC000095386182 218318080 /nfs/dbraw/zinc/31/80/80/218318080.db2.gz FXOQWYIQACYPHW-UHFFFAOYSA-N -1 0 345.790 2.810 50 0 EFAARM CN(Cc1ccccn1)[C@H](C(=O)[O-])c1cnn(Cc2ccccc2)c1 ZINC000095392820 218325044 /nfs/dbraw/zinc/32/50/44/218325044.db2.gz OQQLTHDWNYCRIV-SFHVURJKSA-N -1 0 336.395 2.584 50 0 EFAARM CCn1nc(CC(C)C)cc1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000095526588 218430432 /nfs/dbraw/zinc/43/04/32/218430432.db2.gz HPEPISBFFAVEDV-UHFFFAOYSA-N -1 0 335.429 2.791 50 0 EFAARM O=C([O-])[C@H]1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1 ZINC000095530687 218432429 /nfs/dbraw/zinc/43/24/29/218432429.db2.gz NCPXSUJZSOTOEQ-ZDUSSCGKSA-N -1 0 330.409 2.671 50 0 EFAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C)c4)c=3c2=O)cc1 ZINC000006770312 210706437 /nfs/dbraw/zinc/70/64/37/210706437.db2.gz DYQZMSFZQFUPGV-DLBZAZTESA-N -1 0 334.379 2.797 50 0 EFAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(N)=O)c(C)cc1Cl ZINC000006706490 210688033 /nfs/dbraw/zinc/68/80/33/210688033.db2.gz MIPABVGTOFNRBU-UHFFFAOYSA-N -1 0 338.816 2.857 50 0 EFAARM O=C([O-])c1ccc(NC=C([C@@H]2OC(=O)c3ccccc32)[N+](=O)[O-])cc1 ZINC000005280281 210432609 /nfs/dbraw/zinc/43/26/09/210432609.db2.gz FJGXFAYORPUQHS-AAWPKVBNSA-N -1 0 340.291 2.827 50 0 EFAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Cl)cn2)c1 ZINC000004970441 210344256 /nfs/dbraw/zinc/34/42/56/210344256.db2.gz LISMGZQCNCXMRB-UHFFFAOYSA-N -1 0 328.777 2.553 50 0 EFAARM O=C([O-])CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1 ZINC000004959748 210340898 /nfs/dbraw/zinc/34/08/98/210340898.db2.gz FVXWPIOTKXBDHY-UHFFFAOYSA-N -1 0 327.365 2.817 50 0 EFAARM O=C1c2ccccc2C(=O)N1CC[P@](=O)([O-])CCc1ccccc1 ZINC000004956172 210339195 /nfs/dbraw/zinc/33/91/95/210339195.db2.gz RLMUQEUGCVFEIM-UHFFFAOYSA-N -1 0 343.319 2.796 50 0 EFAARM Cc1cccc(NC(=O)CSc2nc3[nH]c(=O)cc([O-])c3s2)c1 ZINC000004945703 210336734 /nfs/dbraw/zinc/33/67/34/210336734.db2.gz VMCSCJUVYIOWFY-UHFFFAOYSA-N -1 0 347.421 2.729 50 0 EFAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OC)cc1C ZINC000004809492 210281803 /nfs/dbraw/zinc/28/18/03/210281803.db2.gz UDJONTMOCAIOCL-UHFFFAOYSA-N -1 0 349.408 2.981 50 0 EFAARM O=C([O-])c1cccc(N2CC[C@@]3(C2)CCCN(C2CCCC2)C3=O)n1 ZINC000091411529 304262506 /nfs/dbraw/zinc/26/25/06/304262506.db2.gz BENWRPHUDFAKRT-LJQANCHMSA-N -1 0 343.427 2.541 50 0 EFAARM O=C([O-])c1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000012293749 304267098 /nfs/dbraw/zinc/26/70/98/304267098.db2.gz GHHBGGYTKDEHRC-UHFFFAOYSA-N -1 0 338.363 2.873 50 0 EFAARM O=C([O-])c1ccccc1C[NH2+][C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000010475480 304269273 /nfs/dbraw/zinc/26/92/73/304269273.db2.gz CQSOQFUQWGKSMA-QGZVFWFLSA-N -1 0 338.363 2.652 50 0 biogenic EFAARM O=C([O-])c1ccccc1NC(=O)[C@@H]1Cc2ccc(Cl)cc2C(=O)O1 ZINC000008021121 304270266 /nfs/dbraw/zinc/27/02/66/304270266.db2.gz PRMYKJRUJSHQEO-AWEZNQCLSA-N -1 0 345.738 2.758 50 0 EFAARM O=C([O-])c1ccccc1[C@@H]1CCN(C(=O)c2cnn3c2CCCC3)C1 ZINC000072167617 304271393 /nfs/dbraw/zinc/27/13/93/304271393.db2.gz FZZRSBRRXOBBBC-CYBMUJFWSA-N -1 0 339.395 2.547 50 0 EFAARM O=C([O-])CC1(NC(=O)N2CCC[C@H](c3ccncn3)C2)CCCCC1 ZINC000426691135 257958828 /nfs/dbraw/zinc/95/88/28/257958828.db2.gz FICFRRQIARIBLB-AWEZNQCLSA-N -1 0 346.431 2.543 50 0 EFAARM O=C([O-])c1ccnc(-c2cccc(C(=O)NCC[C@@H]3CCOC3)c2)c1 ZINC000426552419 257962969 /nfs/dbraw/zinc/96/29/69/257962969.db2.gz YPWYZBLKTGHEGW-CYBMUJFWSA-N -1 0 340.379 2.603 50 0 EFAARM O=C([O-])c1ccccc1C(=O)CN1c2ccccc2N2CCCN=C12 ZINC000334163547 258015761 /nfs/dbraw/zinc/01/57/61/258015761.db2.gz WOXJFVLYTHQBGE-UHFFFAOYSA-N -1 0 335.363 2.654 50 0 EFAARM Cc1cc2nc(C[N@@H+]3CC[C@H](c4cccc(Cl)c4)C3)cc(=O)n2[n-]1 ZINC000334159656 258016699 /nfs/dbraw/zinc/01/66/99/258016699.db2.gz PIECTMCJWGZLLJ-AWEZNQCLSA-N -1 0 342.830 2.974 50 0 EFAARM COc1ccc(C[C@H](CC(=O)[O-])C(=O)NCc2ccccc2)cc1 ZINC000000031890 258047331 /nfs/dbraw/zinc/04/73/31/258047331.db2.gz QZTJIZBNHSMLFO-MRXNPFEDSA-N -1 0 327.380 2.645 50 0 biogenic EFAARM Cc1ccccc1[C@@]1(CC(=O)[O-])CC(=O)N(Cc2ccccc2)C1=O ZINC000299773647 258085155 /nfs/dbraw/zinc/08/51/55/258085155.db2.gz DRVRZBPUNAKHBJ-FQEVSTJZSA-N -1 0 337.375 2.667 50 0 EFAARM Cc1ccc2[nH]c(C3CCN(C(=O)c4cc(=O)[n-]o4)CC3)nc2c1 ZINC000299774936 258085211 /nfs/dbraw/zinc/08/52/11/258085211.db2.gz JRKVOSHEVYCBQY-UHFFFAOYSA-N -1 0 326.356 2.585 50 0 EFAARM CC(C)Cc1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])on1 ZINC000299758621 258075951 /nfs/dbraw/zinc/07/59/51/258075951.db2.gz JYCUGWOINRTRCG-OAHLLOKOSA-N -1 0 328.368 2.525 50 0 EFAARM O=C([O-])C[C@@H]1Oc2ccccc2N(Cc2ccc(Cl)nc2)C1=O ZINC000063869913 132806040 /nfs/dbraw/zinc/80/60/40/132806040.db2.gz JZPAZALABKCJGQ-ZDUSSCGKSA-N -1 0 332.743 2.504 50 0 EFAARM COC(=O)c1sccc1NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000000070091 292042894 /nfs/dbraw/zinc/04/28/94/292042894.db2.gz KEWKOHHMZAYKDK-QWRGUYRKSA-N -1 0 337.397 2.920 50 0 EFAARM CC[C@@H](C)[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)[O-] ZINC000012890893 286806173 /nfs/dbraw/zinc/80/61/73/286806173.db2.gz NPVHAHSXDFHQIN-UGFHNGPFSA-N -1 0 347.415 2.679 50 0 biogenic EFAARM C[C@H]1Cc2cccc3c2n1c(=O)c(C(=O)NCc1ccccc1)c3[O-] ZINC000170624675 226663841 /nfs/dbraw/zinc/66/38/41/226663841.db2.gz JSWJJWCCMCATNL-LBPRGKRZSA-N -1 0 334.375 2.754 50 0 EFAARM CCOC(=O)N1CCC(n2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000000317430 276282368 /nfs/dbraw/zinc/28/23/68/276282368.db2.gz SAODPIKLEVXGCZ-UHFFFAOYSA-N -1 0 333.413 2.852 50 0 EFAARM CC(C)C(=O)O[C@@H](C)OC(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000001554010 278693079 /nfs/dbraw/zinc/69/30/79/278693079.db2.gz TZDUHAJSIBHXDL-GFCCVEGCSA-N -1 0 329.393 2.683 50 0 fda EFAARM CC1(C)CCc2c(cc(OCC(=O)[O-])c3c4c(c(=O)oc23)CCC4)O1 ZINC000002128878 281139553 /nfs/dbraw/zinc/13/95/53/281139553.db2.gz LAABIHDYTAFYQU-UHFFFAOYSA-N -1 0 344.363 2.849 50 0 biogenic EFAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N1c2ccccc2C[C@@H]1C ZINC000001439825 295099470 /nfs/dbraw/zinc/09/94/70/295099470.db2.gz CKSRMTPALCQNMQ-NSHDSACASA-N -1 0 347.392 2.533 50 0 EFAARM COc1ccc(CNC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])cc1OC ZINC000006725811 295134191 /nfs/dbraw/zinc/13/41/91/295134191.db2.gz CFFJBPQASGDRHD-LSDHHAIUSA-N -1 0 347.411 2.767 50 0 EFAARM COc1ccc(Cc2c([O-])[nH]c(=S)n(-c3ccccc3)c2=O)cc1 ZINC000100645024 295141506 /nfs/dbraw/zinc/14/15/06/295141506.db2.gz CQAMRTHKHAPVJJ-UHFFFAOYSA-N -1 0 340.404 2.826 50 0 EFAARM C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C(=O)[O-])c2cn(C)c3cc(C(=O)[O-])ccc23)C1 ZINC000036354491 297362074 /nfs/dbraw/zinc/36/20/74/297362074.db2.gz DDCQYTSHZCGLTP-BWACUDIHSA-N -1 0 344.411 2.980 50 0 EFAARM Cc1cc(C)n(CCCC(=O)N[C@H](CC(=O)[O-])c2ccccc2)n1 ZINC000426734203 301238944 /nfs/dbraw/zinc/23/89/44/301238944.db2.gz ALRMEUHTBOIJEA-MRXNPFEDSA-N -1 0 329.400 2.612 50 0 EFAARM Cc1cccc([C@@H](C(=O)[O-])N2CCN(C3CCCCC3)C(=O)C2)c1F ZINC000095508540 302018972 /nfs/dbraw/zinc/01/89/72/302018972.db2.gz MCUWUIFVIZTOIU-SFHVURJKSA-N -1 0 348.418 2.737 50 0 EFAARM Cc1nc(CSc2nnc(C)s2)n(-c2ccccc2C(=O)[O-])n1 ZINC000096165515 302593716 /nfs/dbraw/zinc/59/37/16/302593716.db2.gz HXVRNQRJEVKYAT-UHFFFAOYSA-N -1 0 347.425 2.726 50 0 EFAARM Cn1cc([C@@H]2CC(=O)Oc3ccc(C(=O)c4ccccc4)c([O-])c32)cn1 ZINC000253409782 302921325 /nfs/dbraw/zinc/92/13/25/302921325.db2.gz MJXMOUYFVCVRTE-HNNXBMFYSA-N -1 0 348.358 2.798 50 0 EFAARM O=C([O-])c1nccnc1C(=O)Nc1nc2c(cccc2Cl)s1 ZINC000072401952 463509374 /nfs/dbraw/zinc/50/93/74/463509374.db2.gz GPPKWKBCTLOUJD-UHFFFAOYSA-N -1 0 334.744 2.690 50 0 EFAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)CCCc1ccc(Cl)cc1)C(=O)[O-] ZINC000095500800 473214691 /nfs/dbraw/zinc/21/46/91/473214691.db2.gz VKNZHFBTCWQRPM-MRXNPFEDSA-N -1 0 349.818 2.945 50 0 EFAARM O=C([O-])c1ccc(CCNC(=O)C2(c3ccc(F)cc3)CC2)cc1 ZINC000095511848 473216644 /nfs/dbraw/zinc/21/66/44/473216644.db2.gz BJGFGXRIVAJQML-UHFFFAOYSA-N -1 0 327.355 2.914 50 0 EFAARM Cc1nc(N2CCc3nc(-c4ccccc4)[nH]c3C2)c(Cl)c(=O)[n-]1 ZINC000095510800 473216766 /nfs/dbraw/zinc/21/67/66/473216766.db2.gz QAJNWEYJFVRDRG-UHFFFAOYSA-N -1 0 341.802 2.685 50 0 EFAARM Cc1noc(C)c1[C@H](C(=O)[O-])N(C)Cc1ccc2nsnc2c1 ZINC000095515210 473217819 /nfs/dbraw/zinc/21/78/19/473217819.db2.gz CGSUJSWBBGZRRI-CQSZACIVSA-N -1 0 332.385 2.554 50 0 EFAARM O=C([O-])[C@@H]1CCCN(C(=O)c2csc(Cc3ccccc3)n2)C1 ZINC000095530688 473222548 /nfs/dbraw/zinc/22/25/48/473222548.db2.gz NCPXSUJZSOTOEQ-CYBMUJFWSA-N -1 0 330.409 2.671 50 0 EFAARM COc1ccc(CC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1OC ZINC000095749247 473224738 /nfs/dbraw/zinc/22/47/38/473224738.db2.gz UEFALPDJWGKKDN-LBPRGKRZSA-N -1 0 339.388 2.614 50 0 EFAARM COc1ccccc1OC1CN(c2nc3c(cc2C(=O)[O-])CCC3)C1 ZINC000096151159 473316744 /nfs/dbraw/zinc/31/67/44/473316744.db2.gz UBERWBSRRWHTKH-UHFFFAOYSA-N -1 0 340.379 2.545 50 0 EFAARM CN(c1ccsc1C(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000096511679 473456640 /nfs/dbraw/zinc/45/66/40/473456640.db2.gz PBCNQCUOYPOQIP-UHFFFAOYSA-N -1 0 331.802 2.925 50 0 EFAARM O=C(Cc1c(=O)oc2ccccc2c1[O-])c1ccc2c(c1)OCCO2 ZINC000000070300 471319455 /nfs/dbraw/zinc/31/94/55/471319455.db2.gz RFYBRIMOFNHIRY-UHFFFAOYSA-N -1 0 338.315 2.695 50 0 EFAARM COc1cc(/C=C2/NC(=O)[N-]C2=O)ccc1OCc1ccccc1F ZINC000000072850 471319652 /nfs/dbraw/zinc/31/96/52/471319652.db2.gz DYDFZELEFMARFJ-RIYZIHGNSA-N -1 0 342.326 2.594 50 0 EFAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccccc2)cc1 ZINC000000105916 471323976 /nfs/dbraw/zinc/32/39/76/471323976.db2.gz GEFGCTKYAOXECH-QGZVFWFLSA-N -1 0 327.380 2.960 50 0 EFAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000000249292 471340385 /nfs/dbraw/zinc/34/03/85/471340385.db2.gz HZIIOUPWNIWTOC-UHFFFAOYSA-N -1 0 337.397 2.903 50 0 EFAARM O=C([O-])CCCC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 ZINC000000286270 471343981 /nfs/dbraw/zinc/34/39/81/471343981.db2.gz HWYDITNEQUJCSB-UHFFFAOYSA-N -1 0 333.369 2.589 50 0 EFAARM COc1cccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2)c1 ZINC000000310742 471345615 /nfs/dbraw/zinc/34/56/15/471345615.db2.gz NAPJAWPOXOSMFD-UHFFFAOYSA-N -1 0 330.365 2.520 50 0 EFAARM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1cccc(C)c1 ZINC000000311261 471347026 /nfs/dbraw/zinc/34/70/26/471347026.db2.gz YZLLDZMZBVGEHY-UHFFFAOYSA-N -1 0 344.392 2.829 50 0 EFAARM O=c1c2ccccc2[n-]c(=S)n1C[C@@H]1COc2ccccc2O1 ZINC000000313971 471347033 /nfs/dbraw/zinc/34/70/33/471347033.db2.gz FLCMAKAVYCIASK-LLVKDONJSA-N -1 0 326.377 2.899 50 0 EFAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(Br)cc1)C2=O ZINC000000360463 471350477 /nfs/dbraw/zinc/35/04/77/471350477.db2.gz ZHYRCADYWZXEMF-UHFFFAOYSA-N -1 0 346.136 2.948 50 0 EFAARM O=C(c1ccccc1[N-]S(=O)(=O)c1cccs1)N1CCCC1 ZINC000000366579 471351537 /nfs/dbraw/zinc/35/15/37/471351537.db2.gz CEDIYTIOUMEPLN-UHFFFAOYSA-N -1 0 336.438 2.785 50 0 EFAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)n1 ZINC000000380481 471352730 /nfs/dbraw/zinc/35/27/30/471352730.db2.gz XWXWESZINQRNLK-UHFFFAOYSA-N -1 0 348.428 2.570 50 0 EFAARM CCOc1cc(/C=C/C(=O)[O-])cc(I)c1OC ZINC000000444906 471361258 /nfs/dbraw/zinc/36/12/58/471361258.db2.gz PSDBCWAHXSMBMN-SNAWJCMRSA-N -1 0 348.136 2.796 50 0 EFAARM COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccccc1C(=O)[O-] ZINC000000517913 471368106 /nfs/dbraw/zinc/36/81/06/471368106.db2.gz PTZQTSZGLJRELG-HNNXBMFYSA-N -1 0 329.308 2.683 50 0 biogenic EFAARM COC(=O)c1[nH]c2ccccc2c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000000547986 471370700 /nfs/dbraw/zinc/37/07/00/471370700.db2.gz OVTJLSZCTODRAQ-UHFFFAOYSA-N -1 0 348.355 2.894 50 0 EFAARM CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1Br ZINC000000565400 471371605 /nfs/dbraw/zinc/37/16/05/471371605.db2.gz PVCHTCDDFPOLLP-XAPLUZPNSA-N -1 0 339.189 2.807 50 0 EFAARM CC[C@H](C)Oc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1Br ZINC000000565402 471371671 /nfs/dbraw/zinc/37/16/71/471371671.db2.gz PVCHTCDDFPOLLP-LBTPYSACSA-N -1 0 339.189 2.807 50 0 EFAARM CCN1C(=O)S/C(=C\c2cn(CC(=O)[O-])c3ccccc23)C1=O ZINC000000982468 471378859 /nfs/dbraw/zinc/37/88/59/471378859.db2.gz OSLIGEWBPVEFBR-QPEQYQDCSA-N -1 0 330.365 2.782 50 0 EFAARM COc1ccc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc1Cl ZINC000001269035 471383893 /nfs/dbraw/zinc/38/38/93/471383893.db2.gz FBZRXFULCLGBNP-IZZDOVSWSA-N -1 0 325.777 2.993 50 0 EFAARM COc1ccc(S(=O)(=O)C=C([O-])c2cc(C)c(O)c(C)c2)cc1 ZINC000001400664 471389232 /nfs/dbraw/zinc/38/92/32/471389232.db2.gz MTNZBHPEPWPITL-UHFFFAOYSA-N -1 0 334.393 2.674 50 0 EFAARM Cc1[n-]n(-c2ccccc2)c(=O)c1CCOC(=O)c1cccs1 ZINC000001402161 471389461 /nfs/dbraw/zinc/38/94/61/471389461.db2.gz OQQYBHNSWOVVND-UHFFFAOYSA-N -1 0 328.393 2.935 50 0 EFAARM Cc1c2c(cc(=O)n1Cc1ccccc1)[n-]n(-c1ccccc1)c2=O ZINC000001411409 471390147 /nfs/dbraw/zinc/39/01/47/471390147.db2.gz YSUAHWBNDNZDME-UHFFFAOYSA-N -1 0 331.375 2.837 50 0 EFAARM COc1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc(OC)c1OC ZINC000002003353 471399805 /nfs/dbraw/zinc/39/98/05/471399805.db2.gz CSHJCFPMERZZTN-UHFFFAOYSA-N -1 0 331.324 2.663 50 0 EFAARM CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)[O-] ZINC000002244126 471404376 /nfs/dbraw/zinc/40/43/76/471404376.db2.gz XDJSTMCSOXSTGZ-LLVKDONJSA-N -1 0 344.205 2.970 50 0 EFAARM COc1ccc([C@@H](CC(=O)[O-])N2C(=O)c3ccccc3C2=O)cc1 ZINC000002586686 471410801 /nfs/dbraw/zinc/41/08/01/471410801.db2.gz XNBNLIGGWMBCAA-OAHLLOKOSA-N -1 0 325.320 2.507 50 0 EFAARM C[C@@H](NC(=S)Nc1cccc(Cl)c1Cl)[P@@](=O)([O-])O ZINC000002567001 471411594 /nfs/dbraw/zinc/41/15/94/471411594.db2.gz NKGKGJOEOXHLIT-YFKPBYRVSA-N -1 0 329.145 2.804 50 0 EFAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1 ZINC000002596112 471412317 /nfs/dbraw/zinc/41/23/17/471412317.db2.gz IQPJLNVWVQKWMI-MRXNPFEDSA-N -1 0 326.327 2.733 50 0 biogenic EFAARM CCCCc1c([O-])n(CCc2ccc(OC)c(OC)c2)c(=O)[nH]c1=O ZINC000002594224 471412645 /nfs/dbraw/zinc/41/26/45/471412645.db2.gz WYQXQLRYCSHUJV-ZDUSSCGKSA-N -1 0 348.399 2.971 50 0 EFAARM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1ccc(Cl)s1 ZINC000002629748 471413361 /nfs/dbraw/zinc/41/33/61/471413361.db2.gz ZLZZBLKSQOGEAQ-UHFFFAOYSA-N -1 0 331.802 2.974 50 0 EFAARM COc1cccc(Cn2cc([N-]S(=O)(=O)c3cccs3)cn2)c1 ZINC000002782589 471421406 /nfs/dbraw/zinc/42/14/06/471421406.db2.gz MJJHONRGIUTRFV-UHFFFAOYSA-N -1 0 349.437 2.802 50 0 EFAARM O=S(=O)([N-]c1ncn(Cc2ccccc2)n1)c1ccc(Cl)cc1 ZINC000002803916 471422460 /nfs/dbraw/zinc/42/24/60/471422460.db2.gz UGMQBQLHAJUYGY-UHFFFAOYSA-N -1 0 348.815 2.781 50 0 EFAARM COc1ccc2oc(=O)c(C(=O)Nc3ccc(C(=O)[O-])cc3)cc2c1 ZINC000002902003 471427601 /nfs/dbraw/zinc/42/76/01/471427601.db2.gz OTADIZPBPSZBHN-UHFFFAOYSA-N -1 0 339.303 2.752 50 0 EFAARM CC1=CC(=C2C(=O)[N-]C(=O)NC2=O)C=C(C(F)(F)F)N1C(C)C ZINC000002891911 471427693 /nfs/dbraw/zinc/42/76/93/471427693.db2.gz ZNWPRAYOWJVCQE-UHFFFAOYSA-N -1 0 329.278 2.563 50 0 EFAARM CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000003242738 471438312 /nfs/dbraw/zinc/43/83/12/471438312.db2.gz NGGJWIGEZAGGJK-UHFFFAOYSA-N -1 0 349.408 2.917 50 0 EFAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003260431 471439575 /nfs/dbraw/zinc/43/95/75/471439575.db2.gz IVMIMSXDLXNILK-UHFFFAOYSA-N -1 0 337.784 2.790 50 0 EFAARM CSCC[C@@H](NC(=O)Nc1cccc(Br)c1)C(=O)[O-] ZINC000005428697 471504060 /nfs/dbraw/zinc/50/40/60/471504060.db2.gz SDSJJHMDWRUECH-SNVBAGLBSA-N -1 0 347.234 2.777 50 0 EFAARM COc1ccc(-c2oc3cc([O-])cc(O)c3c(=O)c2OC)cc1O ZINC000005640267 471514817 /nfs/dbraw/zinc/51/48/17/471514817.db2.gz ZSPZNFOLWQEVQJ-UHFFFAOYSA-N -1 0 330.292 2.594 50 0 biogenic,in-vivo EFAARM COC(=O)c1c(NC(=O)/C=C(\C)C(=O)[O-])sc2c1CCCCC2 ZINC000005827750 471522448 /nfs/dbraw/zinc/52/24/48/471522448.db2.gz LDVWOVYAKQCNEG-CMDGGOBGSA-N -1 0 337.397 2.773 50 0 EFAARM CC(N[C@@H](C)c1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000005817998 471522582 /nfs/dbraw/zinc/52/25/82/471522582.db2.gz ZXGQRUCOVFYVPO-FSLWVPIDSA-N -1 0 349.390 2.894 50 0 EFAARM CCOc1c(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])cccc1OC ZINC000005906019 471525192 /nfs/dbraw/zinc/52/51/92/471525192.db2.gz RMDVZJZPZBGSFF-WQLSENKSSA-N -1 0 335.385 2.738 50 0 EFAARM Cc1ccc(NC(=O)C2=C([O-])c3ccccc3N(C)S2(=O)=O)cc1 ZINC000006009293 471529245 /nfs/dbraw/zinc/52/92/45/471529245.db2.gz MSPKJIJLGHFXSR-UHFFFAOYSA-N -1 0 344.392 2.640 50 0 EFAARM COc1ccc(NS(=O)(=O)c2ccc3oc(=S)[n-]c3c2)cc1 ZINC000006181721 471534385 /nfs/dbraw/zinc/53/43/85/471534385.db2.gz GJJYIQJJIOIBKP-UHFFFAOYSA-N -1 0 336.394 2.926 50 0 EFAARM CC(=O)c1cccc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)c1 ZINC000006211356 471535389 /nfs/dbraw/zinc/53/53/89/471535389.db2.gz VYJZDVWWXZTVSL-UHFFFAOYSA-N -1 0 332.381 2.513 50 0 EFAARM CC(=O)c1ccc(OC(C)C)c(Cc2c([O-])[nH]c(=S)[nH]c2=O)c1 ZINC000006493459 471547450 /nfs/dbraw/zinc/54/74/50/471547450.db2.gz DCIDOXBJPJVTFZ-UHFFFAOYSA-N -1 0 334.397 2.757 50 0 EFAARM CCc1cc(=O)oc2c3c(cc(OCC(=O)[O-])c12)OC(C)(C)CC3 ZINC000006623955 471555231 /nfs/dbraw/zinc/55/52/31/471555231.db2.gz FMGPWHKZWDGFSN-UHFFFAOYSA-N -1 0 332.352 2.922 50 0 biogenic EFAARM Cc1cc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)n(-c2ccccc2)n1 ZINC000006682013 471559294 /nfs/dbraw/zinc/55/92/94/471559294.db2.gz SATXCNRQQMYGSP-UHFFFAOYSA-N -1 0 347.330 2.680 50 0 EFAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cs1 ZINC000006681534 471560065 /nfs/dbraw/zinc/56/00/65/471560065.db2.gz GUMIIBJKJUNXPJ-UHFFFAOYSA-N -1 0 330.818 2.562 50 0 EFAARM CS(=O)(=O)[N-]c1nnc(SCCCc2ccccc2)s1 ZINC000006706771 471561515 /nfs/dbraw/zinc/56/15/15/471561515.db2.gz YHJJCYAPQRSJLL-UHFFFAOYSA-N -1 0 329.472 2.635 50 0 EFAARM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccc3nsnc32)no1 ZINC000006706479 471561936 /nfs/dbraw/zinc/56/19/36/471561936.db2.gz SKUXRMZNFAQXCI-UHFFFAOYSA-N -1 0 338.414 2.778 50 0 EFAARM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000006706606 471562035 /nfs/dbraw/zinc/56/20/35/471562035.db2.gz NNVCGTPHDGGWDD-UHFFFAOYSA-N -1 0 326.324 2.724 50 0 EFAARM O=S(=O)([N-]c1ccc(Br)cn1)c1ccc(F)c(F)c1 ZINC000006706438 471562417 /nfs/dbraw/zinc/56/24/17/471562417.db2.gz OPCPBMYCPGYVOF-UHFFFAOYSA-N -1 0 349.156 2.923 50 0 EFAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000006742222 471564127 /nfs/dbraw/zinc/56/41/27/471564127.db2.gz KKGKJGJVNHIQPH-JKSUJKDBSA-N -1 0 342.395 2.528 50 0 EFAARM CC(=O)Nc1cccc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])c1 ZINC000006741958 471564305 /nfs/dbraw/zinc/56/43/05/471564305.db2.gz YOFPRBAKQVRZJO-INCPQMAJSA-N -1 0 330.384 2.721 50 0 EFAARM CC(=O)Nc1cccc(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)[O-])c1 ZINC000006741960 471564510 /nfs/dbraw/zinc/56/45/10/471564510.db2.gz YOFPRBAKQVRZJO-UQZDFYISSA-N -1 0 330.384 2.721 50 0 EFAARM NC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000006858655 471574409 /nfs/dbraw/zinc/57/44/09/471574409.db2.gz POVNZGGBCQROPB-UHFFFAOYSA-N -1 0 345.207 2.893 50 0 EFAARM CCc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)OC)cc1 ZINC000006913886 471578199 /nfs/dbraw/zinc/57/81/99/471578199.db2.gz MYGNZEDRDKSTFK-UHFFFAOYSA-N -1 0 325.411 2.898 50 0 EFAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CCn1ccc2ccccc21 ZINC000008156857 471668468 /nfs/dbraw/zinc/66/84/68/471668468.db2.gz PJFOZYYFMJQWHL-QGZVFWFLSA-N -1 0 336.391 2.844 50 0 EFAARM Cc1cccc(-n2c(=O)c3ccc(C(=O)[O-])cc3[nH]c2=S)c1C ZINC000012504844 471777258 /nfs/dbraw/zinc/77/72/58/471777258.db2.gz YPORTDVIRWHJKA-UHFFFAOYSA-N -1 0 326.377 2.989 50 0 EFAARM C=CC[C@@H]1N([C@@H](C)c2ccccc2)C(=O)[C@@H]2[C@H](C(=O)[O-])[C@H]3C=C[C@]21O3 ZINC000012660101 471788501 /nfs/dbraw/zinc/78/85/01/471788501.db2.gz YWYCUWTWYARELT-FCMPQWTLSA-N -1 0 339.391 2.559 50 0 biogenic EFAARM COC(=O)C1=C([O-])c2c(C)c(C(=O)O[C@@H]3CCC[C@@H]3C)[nH]c2C[C@H]1C ZINC000013152788 471819065 /nfs/dbraw/zinc/81/90/65/471819065.db2.gz PZUFJJVCCIFCJD-PJQZNRQZSA-N -1 0 347.411 2.833 50 0 EFAARM O=C([O-])c1ccc(NC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1O ZINC000013843358 471844758 /nfs/dbraw/zinc/84/47/58/471844758.db2.gz PIZHNTVKHUDFJS-UHFFFAOYSA-N -1 0 340.335 2.691 50 0 EFAARM Cc1cc([O-])c(C(c2ccccc2)c2c(O)cc(C)oc2=O)c(=O)o1 ZINC000016267088 471929518 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C[S@@](=O)c1ccc(CCOC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000019910121 471985287 /nfs/dbraw/zinc/98/52/87/471985287.db2.gz ATJMTPXPTGQZPM-QHCPKHFHSA-N -1 0 332.377 2.522 50 0 EFAARM CCCCCCNC(C)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000020292312 471988549 /nfs/dbraw/zinc/98/85/49/471988549.db2.gz RJZORIBHZDQORC-FYWRMAATSA-N -1 0 329.400 2.713 50 0 EFAARM CC[C@H](C)[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)C(=O)[O-] ZINC000043735311 472258506 /nfs/dbraw/zinc/25/85/06/472258506.db2.gz IYFKCFCIYMZYHF-NHYWBVRUSA-N -1 0 332.425 2.968 50 0 EFAARM CN(C)C(=O)CCc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000030766047 472347907 /nfs/dbraw/zinc/34/79/07/472347907.db2.gz LIXNGRUYIYBIDF-CVEARBPZSA-N -1 0 346.427 2.537 50 0 EFAARM COc1ccc(CNC(=O)CSCc2ccc(C(=O)[O-])o2)cc1 ZINC000057352048 472418041 /nfs/dbraw/zinc/41/80/41/472418041.db2.gz ANACRVSMDBIMKM-UHFFFAOYSA-N -1 0 335.381 2.536 50 0 EFAARM CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cc1C ZINC000032585670 472443070 /nfs/dbraw/zinc/44/30/70/472443070.db2.gz LRPQMZHFPFWRIJ-UHFFFAOYSA-N -1 0 335.381 2.893 50 0 EFAARM CC1(C)[C@H](C(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)[C@@H]1C(=O)[O-] ZINC000071282500 472545742 /nfs/dbraw/zinc/54/57/42/472545742.db2.gz LTVNDDGLWBVQKK-UONOGXRCSA-N -1 0 347.802 2.880 50 0 EFAARM Cc1cc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)n(-c2ccc(F)cc2)n1 ZINC000071282266 472546666 /nfs/dbraw/zinc/54/66/66/472546666.db2.gz LDRHQBGQSUYDAY-ZIAGYGMSSA-N -1 0 331.347 2.615 50 0 EFAARM COc1ccc2ccccc2c1CNC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000071283673 472547282 /nfs/dbraw/zinc/54/72/82/472547282.db2.gz LRRCKNSGAHIDAZ-JKSUJKDBSA-N -1 0 327.380 2.821 50 0 EFAARM O=C([O-])[C@@]1(Cc2ccccc2)CCCN(c2ncnc3c2CCC3)C1 ZINC000071661555 472555208 /nfs/dbraw/zinc/55/52/08/472555208.db2.gz ALFQVXPSIPXGOU-HXUWFJFHSA-N -1 0 337.423 2.879 50 0 EFAARM Nc1cc(N2CCC(CCCc3ccccc3)(C(=O)[O-])CC2)ncn1 ZINC000071753884 472559629 /nfs/dbraw/zinc/55/96/29/472559629.db2.gz JFIQPHOOUOWIFB-UHFFFAOYSA-N -1 0 340.427 2.753 50 0 EFAARM COc1ccc(CC2(C(=O)[O-])CCN(C(=O)C3CCC3)CC2)cc1 ZINC000071756948 472560478 /nfs/dbraw/zinc/56/04/78/472560478.db2.gz OVWIUBNMZVHRBQ-UHFFFAOYSA-N -1 0 331.412 2.731 50 0 EFAARM CCc1nnc2c(S(=O)(=O)[N-]c3cccc(Cl)c3)cccn12 ZINC000062592025 472742879 /nfs/dbraw/zinc/74/28/79/472742879.db2.gz NNWFIINYWGKMOJ-UHFFFAOYSA-N -1 0 336.804 2.746 50 0 EFAARM COc1cccc2c1OCCCN(Cc1ncccc1C(=O)[O-])C2 ZINC000065381629 472929832 /nfs/dbraw/zinc/92/98/32/472929832.db2.gz OWXUZUBYASVEFH-UHFFFAOYSA-N -1 0 328.368 2.573 50 0 EFAARM CC(C)OCc1nnc(SCC(=O)[O-])n1-c1ccccc1F ZINC000065384533 472931682 /nfs/dbraw/zinc/93/16/82/472931682.db2.gz NOVPXGPGMHDXNI-UHFFFAOYSA-N -1 0 325.365 2.508 50 0 EFAARM CCOc1cc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)ncn1 ZINC000075166484 473145267 /nfs/dbraw/zinc/14/52/67/473145267.db2.gz XSYLQANICBLEQB-UHFFFAOYSA-N -1 0 347.318 2.695 50 0 EFAARM Cc1ncn(CC(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)c1C ZINC000095366251 473191883 /nfs/dbraw/zinc/19/18/83/473191883.db2.gz QBSJJKPICZATFR-KRWDZBQOSA-N -1 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O=C([O-])Cn1nccc1[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000426618117 477727638 /nfs/dbraw/zinc/72/76/38/477727638.db2.gz KRJDNEZAMNCUFB-CYBMUJFWSA-N -1 0 335.354 2.626 50 0 EFAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)CCCO2 ZINC000426632871 477728825 /nfs/dbraw/zinc/72/88/25/477728825.db2.gz LFKQNQAMYNQBMD-QGZVFWFLSA-N -1 0 337.375 2.663 50 0 EFAARM Cc1c(NC(=O)C[C@H]2CCCO2)cc(Br)cc1C(=O)[O-] ZINC000585134250 479295058 /nfs/dbraw/zinc/29/50/58/479295058.db2.gz JWBVMYZGCQVKFH-SNVBAGLBSA-N -1 0 342.189 2.963 50 0 EFAARM O=C([O-])C12CCC(C(=O)Nc3ccc(-n4nccn4)cc3)(CC1)CC2 ZINC000585134400 479295072 /nfs/dbraw/zinc/29/50/72/479295072.db2.gz QQKJNCGRYFYOKY-UHFFFAOYSA-N -1 0 340.383 2.631 50 0 EFAARM Cc1noc(C)c1CCC(=O)N1CCC[C@H]1c1nc(C(=O)[O-])cs1 ZINC000585134183 479295120 /nfs/dbraw/zinc/29/51/20/479295120.db2.gz HCBJNKGSWLHHEX-ZDUSSCGKSA-N -1 0 349.412 2.742 50 0 EFAARM C[C@@H]1C[C@@H](C(=O)N[C@@H](Cc2cccc3ccccc32)C(=O)[O-])CCO1 ZINC000585134036 479295171 /nfs/dbraw/zinc/29/51/71/479295171.db2.gz BDQVLXOSGUOSTN-SKDZVZGDSA-N -1 0 341.407 2.767 50 0 EFAARM O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@H]2CCOc3ccccc32)c2ccccc21 ZINC000653330403 481231945 /nfs/dbraw/zinc/23/19/45/481231945.db2.gz FBWCEQWLXIRPBY-GVDBMIGSSA-N -1 0 337.375 2.982 50 0 EFAARM Cc1ccc(CNC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@H](C)C4)o1 ZINC000170624723 534046315 /nfs/dbraw/zinc/04/63/15/534046315.db2.gz CDEOUFJDOCHYDS-SNVBAGLBSA-N -1 0 338.363 2.656 50 0 EFAARM CC(C)c1nc(N2CCN(c3ccccc3)CC2)ncc1C(=O)[O-] ZINC000169751152 528292962 /nfs/dbraw/zinc/29/29/62/528292962.db2.gz DFRMAJXSCIHEHP-UHFFFAOYSA-N -1 0 326.400 2.625 50 0 EFAARM CCOCc1ccccc1CNC(=O)Cc1ccccc1C(=O)[O-] ZINC000261781208 545621160 /nfs/dbraw/zinc/62/11/60/545621160.db2.gz XWYRZDWEXBXDJU-UHFFFAOYSA-N -1 0 327.380 2.780 50 0 EFAARM COc1ccc(NC(=O)[C@H]2[C@H](C(=O)[O-])[C@H]3C=C[C@@H]2CC3)cc1OC ZINC000670425338 547488267 /nfs/dbraw/zinc/48/82/67/547488267.db2.gz PPDIKCSDXGZYPA-OXUXUCFPSA-N -1 0 331.368 2.555 50 0 EFAARM CC[C@@H](OC1CCCCC1)C(=O)NC(C)(C)c1nocc1C(=O)[O-] ZINC000685944883 550197484 /nfs/dbraw/zinc/19/74/84/550197484.db2.gz GDQAWWZXOZQEPS-CYBMUJFWSA-N -1 0 338.404 2.852 50 0 EFAARM C[C@H](ONC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000709067898 568417133 /nfs/dbraw/zinc/41/71/33/568417133.db2.gz LLTVQTCVRBPRME-NSHDSACASA-N -1 0 327.336 2.930 50 0 EFAARM Cc1nc(CN(CC(=O)[O-])C(=O)c2cc3ccccc3s2)c[nH]1 ZINC001772700923 1249283912 /nfs/dbraw/zinc/28/39/12/1249283912.db2.gz JUYDFZVSUIWEHD-UHFFFAOYSA-N -1 0 329.381 2.660 50 0 EFAARM O=C([O-])[C@@]12CN(c3ccc4cc(Cl)ccc4n3)C[C@@H]1COCC2 ZINC001772702359 1249285889 /nfs/dbraw/zinc/28/58/89/1249285889.db2.gz VTPLQNDDTBHJOB-PXAZEXFGSA-N -1 0 332.787 2.816 50 0 EFAARM CC[C@H](C)[C@@H](NC(=O)CCn1ccc2cccc(OC)c21)C(=O)[O-] ZINC000206416055 1249462458 /nfs/dbraw/zinc/46/24/58/1249462458.db2.gz IDOVZEORORBLDX-BLLLJJGKSA-N -1 0 332.400 2.656 50 0 EFAARM CSCC[C@@H](NC(=O)Cn1ccc2ccc(Cl)cc21)C(=O)[O-] ZINC000206411912 1249462618 /nfs/dbraw/zinc/46/26/18/1249462618.db2.gz SFGJVXVSUTVEJT-GFCCVEGCSA-N -1 0 340.832 2.617 50 0 EFAARM COc1ccc2c(ccn2CCC(=O)N[C@H](CC(C)C)C(=O)[O-])c1 ZINC000207891543 1249488593 /nfs/dbraw/zinc/48/85/93/1249488593.db2.gz NAGAJTRNGMPAGM-OAHLLOKOSA-N -1 0 332.400 2.656 50 0 EFAARM O=C([O-])c1cccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)c1 ZINC000000529005 1304238566 /nfs/dbraw/zinc/23/85/66/1304238566.db2.gz ZRDYOYATJQGXGM-UHFFFAOYSA-N -1 0 342.742 2.871 50 0 EFAARM COc1ccc(C)cc1[C@@H](C(=O)[O-])N(C)Cc1ccc2nonc2c1 ZINC001506404504 1405752997 /nfs/dbraw/zinc/75/29/97/1405752997.db2.gz UXNFESSGTQATIO-KRWDZBQOSA-N -1 0 341.367 2.798 50 0 EFAARM CCCCN(Cc1ccncc1)C(=O)c1cc(O)cc(C(=O)[O-])c1 ZINC001506412321 1405757822 /nfs/dbraw/zinc/75/78/22/1405757822.db2.gz CBRABXDTBUYXLL-UHFFFAOYSA-N -1 0 328.368 2.928 50 0 EFAARM CC1(C)C[C@H](c2nccn2-c2ccc(Oc3nn[n-]n3)cc2)CCO1 ZINC000072149677 1423347102 /nfs/dbraw/zinc/34/71/02/1423347102.db2.gz LCASGQFWUBWAEO-GFCCVEGCSA-N -1 0 340.387 2.850 50 0 EFAARM CC(C)CCC[C@H]1CN(C(=O)c2ccccc2-c2nn[n-]n2)CCO1 ZINC000071498863 1423472881 /nfs/dbraw/zinc/47/28/81/1423472881.db2.gz FIBHBVDQFUMEDF-AWEZNQCLSA-N -1 0 343.431 2.534 50 0 EFAARM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cccc(Br)c1 ZINC000008708143 1424612760 /nfs/dbraw/zinc/61/27/60/1424612760.db2.gz HXGCQRJRUHDKKD-UHFFFAOYSA-N -1 0 344.172 2.882 50 0 in-vitro EFAARM O=C(Nc1ccc(Oc2nnn[n-]2)cc1)c1conc1-c1ccccc1 ZINC000828207935 1443751744 /nfs/dbraw/zinc/75/17/44/1443751744.db2.gz QVCJZYMVKODHNL-UHFFFAOYSA-N -1 0 348.322 2.899 50 0 EFAARM Cc1cccc(C[C@H](C(=O)Nc2ccccc2F)c2nnn[n-]2)c1 ZINC000006450650 1450074557 /nfs/dbraw/zinc/07/45/57/1450074557.db2.gz VCTFQSVTCYHRMA-ZDUSSCGKSA-N -1 0 325.347 2.612 50 0 EFAARM O=C([O-])c1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 ZINC000002802452 715322623 /nfs/dbraw/zinc/32/26/23/715322623.db2.gz ZZRBSQJGVONYBS-UHFFFAOYSA-N -1 0 326.209 2.647 50 0 EFAARM O=c1cc(-c2coc3c2C(=O)CCC3)nc2[n-]c(-c3ccccc3)nn21 ZINC000102611009 717451338 /nfs/dbraw/zinc/45/13/38/717451338.db2.gz OUILOXANQHEJFG-UHFFFAOYSA-N -1 0 346.346 2.864 50 0 EFAARM O=C(NC[C@H]1CC[C@H](C(=O)[O-])CC1)c1ccc2cccc(F)c2n1 ZINC000254814330 721014921 /nfs/dbraw/zinc/01/49/21/721014921.db2.gz JIKUUNGBNYDORZ-AULYBMBSSA-N -1 0 330.359 2.995 50 0 EFAARM