smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002121311 203823624 /nfs/dbraw/zinc/82/36/24/203823624.db2.gz ANIBAKNMKNJZIG-SFHVURJKSA-N -1 0 381.428 3.237 50 10 biogenic GGCARM Cc1ccsc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000001172832 203892614 /nfs/dbraw/zinc/89/26/14/203892614.db2.gz GXZZTEVNZPFIOE-XYOKQWHBSA-N -1 0 391.246 3.485 50 10 GGCARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c([N+](=O)[O-])c3)C2=O)c1 ZINC000000705265 203849347 /nfs/dbraw/zinc/84/93/47/203849347.db2.gz PCPXPBWRJFPNEW-RIYZIHGNSA-N -1 0 397.343 3.119 50 10 GGCARM Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(N(C)C)o2)C(=O)[N-]C1=S ZINC000001130197 203887002 /nfs/dbraw/zinc/88/70/02/203887002.db2.gz XLSSIHUHLARIIR-FMIVXFBMSA-N -1 0 389.864 3.139 50 10 GGCARM COc1ccccc1/C=C1/SC(=S)N([C@H](CCSC)C(=O)[O-])C1=O ZINC000001786473 203920074 /nfs/dbraw/zinc/92/00/74/203920074.db2.gz CPQDQINQUMLTEX-VSXLWIIGSA-N -1 0 383.516 3.103 50 10 GGCARM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)ccc1OC(C)C ZINC000003659503 204018317 /nfs/dbraw/zinc/01/83/17/204018317.db2.gz UDJJUDPRVMLUAA-BOPFTXTBSA-N -1 0 384.407 3.473 50 10 GGCARM CC(=O)NC1=NC(=O)/C(=C/c2cccc(OCc3ccc(C(=O)[O-])cc3)c2)S1 ZINC000003662763 204018720 /nfs/dbraw/zinc/01/87/20/204018720.db2.gz XEFLGNRQZLMOCR-YVLHZVERSA-N -1 0 396.424 3.070 50 10 GGCARM COc1cc(/C=C2\C(C)=NN(c3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)[O-] ZINC000004699014 204065898 /nfs/dbraw/zinc/06/58/98/204065898.db2.gz PFGVSLYCXWQCQV-MPMPPSQCSA-N -1 0 380.400 3.353 50 10 GGCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(N2CCCCC2)o1 ZINC000004704529 204066623 /nfs/dbraw/zinc/06/66/23/204066623.db2.gz QIEMEJQRIVMKLC-OWBHPGMISA-N -1 0 383.379 3.075 50 10 GGCARM Cc1cccc(N2C(=O)/C(=C\c3ccc(N4CCCCC4)o3)C(=O)[N-]C2=S)c1 ZINC000004739005 204071278 /nfs/dbraw/zinc/07/12/78/204071278.db2.gz JTCJZNBWOCGBQK-LGMDPLHJSA-N -1 0 395.484 3.410 50 10 GGCARM Cc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)o1 ZINC000004743324 204071856 /nfs/dbraw/zinc/07/18/56/204071856.db2.gz XWUQIQNKSGGIPL-JYRVWZFOSA-N -1 0 391.246 3.182 50 10 GGCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc1 ZINC000004834455 204080130 /nfs/dbraw/zinc/08/01/30/204080130.db2.gz LDBOBQIGKXLDJY-NBVRZTHBSA-N -1 0 394.500 3.277 50 10 GGCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCC2)cc1 ZINC000004458312 204046204 /nfs/dbraw/zinc/04/62/04/204046204.db2.gz RLSSMMIRLOQLCF-JXAWBTAJSA-N -1 0 377.469 3.118 50 10 GGCARM COC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000004614560 204057806 /nfs/dbraw/zinc/05/78/06/204057806.db2.gz SRWNKGYXOWZYBF-PKIAMQTDSA-N -1 0 391.489 3.489 50 10 GGCARM COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000004614206 204058825 /nfs/dbraw/zinc/05/88/25/204058825.db2.gz ITTIIEUOMHMQAO-NEPJUHHUSA-N -1 0 377.462 3.409 50 10 GGCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000004691440 204064133 /nfs/dbraw/zinc/06/41/33/204064133.db2.gz GJGILHBPXDVVHK-OQLLNIDSSA-N -1 0 386.860 3.488 50 10 GGCARM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)ccc1O ZINC000004690162 204064472 /nfs/dbraw/zinc/06/44/72/204064472.db2.gz BGJFQZRRWBPGFZ-XNTDXEJSSA-N -1 0 396.468 3.239 50 10 GGCARM O=C([O-])CN1C(=O)/C(=C\c2cc(Cc3ccccc3)ccc2O)SC1=S ZINC000005194085 204117429 /nfs/dbraw/zinc/11/74/29/204117429.db2.gz OCFMBGOWTLHACZ-MHWRWJLKSA-N -1 0 385.466 3.269 50 10 GGCARM CC(C)C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S ZINC000005235944 204120629 /nfs/dbraw/zinc/12/06/29/204120629.db2.gz WUTPOPGJAZRACM-OEMOTLHWSA-N -1 0 375.475 3.263 50 10 GGCARM COC(=O)CC1=NN(c2ccccc2)C(=O)C1=C(C)Nc1ccc(OC)cc1 ZINC000004999671 204101058 /nfs/dbraw/zinc/10/10/58/204101058.db2.gz QNKXKHJDAIGVMR-ZHZULCJRSA-N -1 0 379.416 3.347 50 10 GGCARM O=C1[N-]C(=O)N(Cc2ccco2)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2)o1 ZINC000005024720 204103963 /nfs/dbraw/zinc/10/39/63/204103963.db2.gz YBJUKZQNXOYFQK-YBEGLDIGSA-N -1 0 380.331 3.341 50 10 GGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)cc1 ZINC000005043712 204105440 /nfs/dbraw/zinc/10/54/40/204105440.db2.gz JGSZVLDUAYIMGF-RGEXLXHISA-N -1 0 375.428 3.262 50 10 GGCARM CC(C)OC(=O)c1c2c(sc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])CCC2 ZINC000005727298 204148520 /nfs/dbraw/zinc/14/85/20/204148520.db2.gz RJXKFNJSNGFMEK-NEPJUHHUSA-N -1 0 377.462 3.408 50 10 GGCARM CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCC2 ZINC000005796935 204151326 /nfs/dbraw/zinc/15/13/26/204151326.db2.gz BBKAPCZYSBOVHW-NEPJUHHUSA-N -1 0 377.462 3.409 50 10 GGCARM CCCOC(=O)c1c2c(sc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])CCC2 ZINC000005952068 204158220 /nfs/dbraw/zinc/15/82/20/204158220.db2.gz FMJRZWGAYXQTCU-NWDGAFQWSA-N -1 0 377.462 3.409 50 10 GGCARM CCCOC(=O)c1c2c(sc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])CCC2 ZINC000005952058 204158692 /nfs/dbraw/zinc/15/86/92/204158692.db2.gz FMJRZWGAYXQTCU-VXGBXAGGSA-N -1 0 377.462 3.409 50 10 GGCARM CCCOC(=O)c1c2c(sc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])CCC2 ZINC000005952056 204159337 /nfs/dbraw/zinc/15/93/37/204159337.db2.gz FMJRZWGAYXQTCU-NEPJUHHUSA-N -1 0 377.462 3.409 50 10 GGCARM CC(=O)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000006074078 204164780 /nfs/dbraw/zinc/16/47/80/204164780.db2.gz UZLIZJHRUJVCPZ-YBEGLDIGSA-N -1 0 383.791 3.121 50 10 GGCARM COc1ccccc1N1C(=O)C(=CNc2ccccc2Cl)C(=O)[N-]C1=S ZINC000005595707 204142210 /nfs/dbraw/zinc/14/22/10/204142210.db2.gz HUHAWZJNHSWMJX-KHPPLWFESA-N -1 0 387.848 3.092 50 10 GGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(Br)cc1 ZINC000005650168 204144588 /nfs/dbraw/zinc/14/45/88/204144588.db2.gz UTGBCHLZVQSGCC-GXDHUFHOSA-N -1 0 386.205 3.028 50 10 GGCARM COc1ccc(/C=C2\C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000005676063 204146226 /nfs/dbraw/zinc/14/62/26/204146226.db2.gz JEMXMLFFRAGEHJ-KPKJPENVSA-N -1 0 393.226 3.472 50 10 GGCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000005694983 204147276 /nfs/dbraw/zinc/14/72/76/204147276.db2.gz JEGBOQVQLTXPBM-RGEXLXHISA-N -1 0 392.459 3.420 50 10 GGCARM COC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])C[C@H](C)CC2 ZINC000006250490 204173039 /nfs/dbraw/zinc/17/30/39/204173039.db2.gz XRPSRZRVUHRTKN-UTUOFQBUSA-N -1 0 379.478 3.489 50 10 GGCARM Cc1ccc(C)c(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CC[C@H](C)C3)c1 ZINC000006471461 204180441 /nfs/dbraw/zinc/18/04/41/204180441.db2.gz YVZSHAJHLOXPGV-JTQLQIEISA-N -1 0 378.519 3.389 50 10 GGCARM CCOc1cccc2ccc(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)nc21 ZINC000006660445 204190215 /nfs/dbraw/zinc/19/02/15/204190215.db2.gz KYUKDUSPLJQMLB-UVTDQMKNSA-N -1 0 388.470 3.309 50 10 GGCARM COc1ccc2[nH]cc(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)c2c1 ZINC000006660532 204190250 /nfs/dbraw/zinc/19/02/50/204190250.db2.gz UECSZWIUGDENFI-AUWJEWJLSA-N -1 0 376.459 3.243 50 10 GGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3cc(OC)ccc3OC)C2=O)cc1 ZINC000008739657 204287566 /nfs/dbraw/zinc/28/75/66/204287566.db2.gz PSRHUBZDQDDRQA-XNTDXEJSSA-N -1 0 382.372 3.219 50 10 GGCARM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1ccc(Br)cc1 ZINC000008997273 204297521 /nfs/dbraw/zinc/29/75/21/204297521.db2.gz MTCAXDFTCJQKHU-UHFFFAOYSA-N -1 0 388.221 3.446 50 10 GGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)cc1Cl ZINC000036559450 204321812 /nfs/dbraw/zinc/32/18/12/204321812.db2.gz VLQIDLXDBAKGAX-YRNVUSSQSA-N -1 0 375.724 3.020 50 10 GGCARM Cc1nc(-c2ccc(Cl)cc2)nc2sc(C(=O)N3CCOCC3)c([O-])c21 ZINC000013690477 204504186 /nfs/dbraw/zinc/50/41/86/204504186.db2.gz USCBRVCTWISJSV-UHFFFAOYSA-N -1 0 389.864 3.498 50 10 GGCARM CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)cc1 ZINC000013943448 204517270 /nfs/dbraw/zinc/51/72/70/204517270.db2.gz NFFTZBZVZMUSKP-ZHZULCJRSA-N -1 0 391.427 3.028 50 10 GGCARM CN(C)c1ncnc2c1N=C1CC(C)(C)CC(NCCCC(=O)[O-])=C1S2 ZINC000004837433 205752097 /nfs/dbraw/zinc/75/20/97/205752097.db2.gz WSFNMZBBWZWOCD-UHFFFAOYSA-N -1 0 375.498 3.207 50 10 GGCARM O=C([O-])[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccccc3)coc21 ZINC000027047059 206008445 /nfs/dbraw/zinc/00/84/45/206008445.db2.gz CUDSZBUCKSGWDD-INIZCTEOSA-N -1 0 381.384 3.340 50 10 GGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccc(Br)cc1 ZINC000100641015 136189214 /nfs/dbraw/zinc/18/92/14/136189214.db2.gz UTGBCHLZVQSGCC-UVTDQMKNSA-N -1 0 386.205 3.028 50 10 GGCARM COc1ccccc1N1C(=O)/C(=C/c2c[nH]c3ccccc23)C(=O)[N-]C1=S ZINC000000986632 136196030 /nfs/dbraw/zinc/19/60/30/136196030.db2.gz MGKFFYBGHPTHAB-GXDHUFHOSA-N -1 0 377.425 3.008 50 10 GGCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)o1 ZINC000001053464 136196097 /nfs/dbraw/zinc/19/60/97/136196097.db2.gz PKIJMDJTEDEVDO-FOWTUZBSSA-N -1 0 381.432 3.409 50 10 GGCARM Cc1ccc(N2C(=O)C(=CN[C@H](C)c3ccccc3)C(=O)[N-]C2=S)cc1C ZINC000101079434 136196165 /nfs/dbraw/zinc/19/61/65/136196165.db2.gz FKCVYLTWMXLAMJ-PWDRBQJJSA-N -1 0 379.485 3.286 50 10 GGCARM CCOc1cccc(N2C(=O)/C(=C/c3ccc(OC)cc3C)C(=O)[N-]C2=S)c1 ZINC000001203480 136196180 /nfs/dbraw/zinc/19/61/80/136196180.db2.gz NBTFWIGCQZORAG-WOJGMQOQSA-N -1 0 396.468 3.234 50 10 GGCARM Cc1ccc(N2C(=O)C(=CN[C@@H](C)c3ccccc3)C(=O)[N-]C2=S)cc1C ZINC000101079430 136196298 /nfs/dbraw/zinc/19/62/98/136196298.db2.gz FKCVYLTWMXLAMJ-BRYHAGSVSA-N -1 0 379.485 3.286 50 10 GGCARM COc1ccccc1N1C(=O)/C(=C\c2c[nH]c3ccccc23)C(=O)[N-]C1=S ZINC000019794794 136202304 /nfs/dbraw/zinc/20/23/04/136202304.db2.gz MGKFFYBGHPTHAB-UVTDQMKNSA-N -1 0 377.425 3.008 50 10 GGCARM Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Br)c3)C2=O)o1 ZINC000022135440 136203570 /nfs/dbraw/zinc/20/35/70/136203570.db2.gz XWUQIQNKSGGIPL-MDWZMJQESA-N -1 0 391.246 3.182 50 10 GGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(O)ccc4ccccc43)C2=O)cc1 ZINC000408890884 533997048 /nfs/dbraw/zinc/99/70/48/533997048.db2.gz HXSWVHPCKSXTJU-LDADJPATSA-N -1 0 388.379 3.220 50 10 GGCARM Cn1cccc1C=C1C(=O)[N-]C(=S)N(c2ccc(Br)cc2)C1=O ZINC000001162869 564184661 /nfs/dbraw/zinc/18/46/61/564184661.db2.gz UTAQJXZNLLVRFC-UKTHLTGXSA-N -1 0 390.262 3.459 50 10 GGCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)c(OCC)c2)SC1=S ZINC000001786449 564186295 /nfs/dbraw/zinc/18/62/95/564186295.db2.gz HQFQSRQBXRJPMS-RLIURORJSA-N -1 0 381.475 3.245 50 10 GGCARM O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1CCS(=O)(=O)[O-] ZINC000002287563 564186815 /nfs/dbraw/zinc/18/68/15/564186815.db2.gz OMPKYAGFVCOLFE-YHYXMXQVSA-N -1 0 398.314 3.082 50 10 GGCARM O=C([N-]N1C(=O)/C(=C/c2cccs2)SC1=S)c1ccccc1[N+](=O)[O-] ZINC000001858143 564186902 /nfs/dbraw/zinc/18/69/02/564186902.db2.gz JVPYOZMOVRVTOE-WQLSENKSSA-N -1 0 391.455 3.203 50 10 GGCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cc(OC)ccc2OC)SC1=S ZINC000002452582 564187424 /nfs/dbraw/zinc/18/74/24/564187424.db2.gz RKUJFMHPDZGJGJ-OJLMPMFISA-N -1 0 381.475 3.158 50 10 GGCARM O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C\c1cc(Br)ccc1O ZINC000004906146 564209399 /nfs/dbraw/zinc/20/93/99/564209399.db2.gz RPQFJWCCKMTYDV-QPEQYQDCSA-N -1 0 393.624 3.270 50 10 GGCARM Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)s1 ZINC000005618562 564217216 /nfs/dbraw/zinc/21/72/16/564217216.db2.gz BTZAHSXNAWNKEK-JYRVWZFOSA-N -1 0 391.246 3.485 50 10 GGCARM C[C@@H]1Cc2cc(/C=C3/C(=O)[N-]N(c4ccc(Br)cc4)C3=O)ccc2O1 ZINC000013892954 564278527 /nfs/dbraw/zinc/27/85/27/564278527.db2.gz DSDUGBYLCIJYOE-FFCYNSPCSA-N -1 0 399.244 3.234 50 10 GGCARM Cc1cc(/C=C2\NC(=O)[N-]C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000022289194 564315340 /nfs/dbraw/zinc/31/53/40/564315340.db2.gz SKYKMDWMHKMBGJ-MLPAPPSSSA-N -1 0 378.201 3.176 50 10 GGCARM COc1ccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)cc1OC ZINC000026771411 564349907 /nfs/dbraw/zinc/34/99/07/564349907.db2.gz YDVPRMBLLFDXSB-CZAWJFPGSA-N -1 0 381.475 3.014 50 10 GGCARM COc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)c(OC)c1 ZINC000027533930 564354954 /nfs/dbraw/zinc/35/49/54/564354954.db2.gz PCHKVMPCCBNGES-WTWVRAIASA-N -1 0 381.475 3.014 50 10 GGCARM COc1ccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)c(OC)c1 ZINC000027533927 564355202 /nfs/dbraw/zinc/35/52/02/564355202.db2.gz PCHKVMPCCBNGES-GUNGLEHYSA-N -1 0 381.475 3.014 50 10 GGCARM COc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)C(=O)[N-]C2=S)cc1 ZINC000000712449 570219655 /nfs/dbraw/zinc/21/96/55/570219655.db2.gz YGSQWOPGDZUSQA-MHWRWJLKSA-N -1 0 377.425 3.008 50 10 biogenic GGCARM COc1ccc(/C=C/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000001147709 570248862 /nfs/dbraw/zinc/24/88/62/570248862.db2.gz WNYCYGDLSVIZMN-GFJWLWTISA-N -1 0 382.416 3.222 50 10 GGCARM CCOc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3)C(=O)[N-]C2=S)cc1 ZINC000001156282 570250263 /nfs/dbraw/zinc/25/02/63/570250263.db2.gz ALOIVXCOXIBKFU-XICJKMHVSA-N -1 0 378.453 3.473 50 10 GGCARM Cc1c(C=C2C(=O)[N-]C(=O)NC2=O)c2ccccc2n1Cc1ccccc1Cl ZINC000001168788 570253092 /nfs/dbraw/zinc/25/30/92/570253092.db2.gz QCQRGICVPSBICN-UHFFFAOYSA-N -1 0 393.830 3.401 50 10 GGCARM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cnn(-c3ccccc3)c2)C1=O ZINC000001181689 570255544 /nfs/dbraw/zinc/25/55/44/570255544.db2.gz KGCBQYUEMURHIF-LFIBNONCSA-N -1 0 388.383 3.388 50 10 GGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)c1 ZINC000001303879 570260521 /nfs/dbraw/zinc/26/05/21/570260521.db2.gz FFVWXPGYTIZUCO-AWNIVKPZSA-N -1 0 395.327 3.139 50 10 GGCARM Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)[N-]C2=S)c1 ZINC000001407669 570262266 /nfs/dbraw/zinc/26/22/66/570262266.db2.gz LWZZHPBPMMGOSZ-MDWZMJQESA-N -1 0 386.860 3.494 50 10 GGCARM COc1cc(OC)c(OC)cc1C=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000002288560 570281299 /nfs/dbraw/zinc/28/12/99/570281299.db2.gz ZUQYVQFOMNYGNN-OQLLNIDSSA-N -1 0 396.399 3.215 50 10 GGCARM CCOc1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccccc3Cl)C2=O)cc1 ZINC000002830836 570305356 /nfs/dbraw/zinc/30/53/56/570305356.db2.gz XYFCWEQSMOGWBQ-LFIBNONCSA-N -1 0 399.834 3.313 50 10 GGCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc3c(c2)COC3=O)o1 ZINC000016116031 570316907 /nfs/dbraw/zinc/31/69/07/570316907.db2.gz IQEIDLMNDGCJGX-WQRHYEAKSA-N -1 0 386.363 3.078 50 10 GGCARM COc1ccc(CNc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c(O)c1 ZINC000000793996 570334942 /nfs/dbraw/zinc/33/49/42/570334942.db2.gz IHQVIJXMMBYWEJ-UHFFFAOYSA-N -1 0 391.474 3.270 50 10 GGCARM COC(=O)Cc1[n-]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1ncccc1C ZINC000100423618 570359944 /nfs/dbraw/zinc/35/99/44/570359944.db2.gz CBZCEBXAEXYPEJ-RGEXLXHISA-N -1 0 394.431 3.050 50 10 GGCARM COC(=O)Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ncccc1C ZINC000100423622 570359958 /nfs/dbraw/zinc/35/99/58/570359958.db2.gz BFWFVRYEGZUXSZ-AQTBWJFISA-N -1 0 382.395 3.181 50 10 GGCARM COc1cc(NC=C2C(C)=NN(c3nc4ccccc4[nH]3)C2=O)cc(OC)c1 ZINC000100430146 570360342 /nfs/dbraw/zinc/36/03/42/570360342.db2.gz QLLUMYBDMKJSED-LFIBNONCSA-N -1 0 377.404 3.299 50 10 GGCARM CCC(=O)N[C@H](c1ccccc1OC)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004684862 570392846 /nfs/dbraw/zinc/39/28/46/570392846.db2.gz MWJQADAFEHDUAX-GOSISDBHSA-N -1 0 381.388 3.473 50 10 GGCARM CCCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1OC ZINC000004701756 570394950 /nfs/dbraw/zinc/39/49/50/570394950.db2.gz NWQZOULGPMSFFZ-KAMYIIQDSA-N -1 0 398.390 3.290 50 10 GGCARM CCOc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)cc1OC ZINC000026771448 570428645 /nfs/dbraw/zinc/42/86/45/570428645.db2.gz FPEZMCUEHIOQSA-AAWPKVBNSA-N -1 0 395.502 3.404 50 10 GGCARM COc1ccc(N(CC(=O)[O-])CC(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000034926555 570548156 /nfs/dbraw/zinc/54/81/56/570548156.db2.gz DBTDFMFQSPOIGY-UHFFFAOYSA-N -1 0 396.487 3.068 50 10 GGCARM O=C1[N-]C(=O)C(=Cc2c(OCc3ccccc3F)ccc3ccccc32)C(=O)N1 ZINC000001177999 570713426 /nfs/dbraw/zinc/71/34/26/570713426.db2.gz XAESRBGDDLTENX-UHFFFAOYSA-N -1 0 390.370 3.307 50 10 GGCARM O=C1[N-]N(c2cccc(Cl)c2)C(=O)C1=Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000000970315 570740425 /nfs/dbraw/zinc/74/04/25/570740425.db2.gz CKUMVNNPSPCFPH-LZYBPNLTSA-N -1 0 382.782 3.331 50 10 GGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)o3)C2=O)cc1 ZINC000013549172 570757494 /nfs/dbraw/zinc/75/74/94/570757494.db2.gz PXBMZCAQTQUEMA-GHRIWEEISA-N -1 0 379.416 3.245 50 10 GGCARM COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)[N-]N(c4ccccc4)C3=O)o2)cc1 ZINC000001168101 570759672 /nfs/dbraw/zinc/75/96/72/570759672.db2.gz ZJSWERFBGKFDCO-QGOAFFKASA-N -1 0 388.379 3.195 50 10 GGCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1O ZINC000013603137 570762089 /nfs/dbraw/zinc/76/20/89/570762089.db2.gz JMWOZTMZDJYKCC-XGICHPGQSA-N -1 0 393.226 3.477 50 10 GGCARM CN1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O ZINC000001202341 570793847 /nfs/dbraw/zinc/79/38/47/570793847.db2.gz DJAOXXQVVYZNOO-YRNVUSSQSA-N -1 0 375.724 3.440 50 10 GGCARM O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000013855796 570795555 /nfs/dbraw/zinc/79/55/55/570795555.db2.gz DOSDGIZMFSMOHV-LFIBNONCSA-N -1 0 387.798 3.096 50 10 GGCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1C(C)C ZINC000014011020 570814269 /nfs/dbraw/zinc/81/42/69/570814269.db2.gz HXJDJYZDAUBNNH-LZYBPNLTSA-N -1 0 395.415 3.081 50 10 GGCARM Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000014011017 570814469 /nfs/dbraw/zinc/81/44/69/570814469.db2.gz OOFBMPMHFBUYHM-MHWRWJLKSA-N -1 0 379.803 3.498 50 10 GGCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)SC1=S ZINC000003532594 570874164 /nfs/dbraw/zinc/87/41/64/570874164.db2.gz VYKVCYQAQFFIGH-PTNGSMBKSA-N -1 0 393.486 3.304 50 10 GGCARM COc1ccc(/N=N/c2ccccc2)cc1S(=O)(=O)N1CCC[C@H]1C(=O)[O-] ZINC000104766349 570905167 /nfs/dbraw/zinc/90/51/67/570905167.db2.gz OXBXEAIWPZCQDU-CVTQAYBASA-N -1 0 389.433 3.348 50 10 GGCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)ccc1OCC(C)C ZINC000016266988 570920086 /nfs/dbraw/zinc/92/00/86/570920086.db2.gz WVTYOABQHZRANF-YVLHZVERSA-N -1 0 384.407 3.331 50 10 GGCARM CN(C)c1ccc(C=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000016667050 570930395 /nfs/dbraw/zinc/93/03/95/570930395.db2.gz KQPAZRGNAIXQOA-XNTDXEJSSA-N -1 0 394.387 3.163 50 10 GGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(CCC3=CCCCC3)C2=O)c(OC)c1 ZINC000017027786 570937590 /nfs/dbraw/zinc/93/75/90/570937590.db2.gz QFIYJAYPQPKUFN-SFQUDFHCSA-N -1 0 384.432 3.056 50 10 GGCARM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(Br)cc1 ZINC000001155705 1398301325 /nfs/dbraw/zinc/30/13/25/1398301325.db2.gz TUXCUKIUMCSHBE-GXDHUFHOSA-N -1 0 377.238 3.244 50 10 GGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)[nH]c4ccccc43)C2=O)cc1 ZINC000001021772 1398301379 /nfs/dbraw/zinc/30/13/79/1398301379.db2.gz VXUSWZIWDZBTIJ-GZTJUZNOSA-N -1 0 375.384 3.151 50 10 GGCARM COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1 ZINC000002248613 1398305605 /nfs/dbraw/zinc/30/56/05/1398305605.db2.gz VSFQSWMIMIFWPZ-PDGQHHTCSA-N -1 0 377.396 3.258 50 10 GGCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1 ZINC000002236639 1398305615 /nfs/dbraw/zinc/30/56/15/1398305615.db2.gz YFRDTLCUPHRUGB-JXAWBTAJSA-N -1 0 392.459 3.420 50 10 GGCARM COc1cccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)C(=O)[N-]C2=S)c1 ZINC000002813070 1398320196 /nfs/dbraw/zinc/32/01/96/1398320196.db2.gz WNVGYIUXMJWVOH-CXUHLZMHSA-N -1 0 377.425 3.008 50 10 GGCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=CNc1ccccc1Cl ZINC000002892697 1398321193 /nfs/dbraw/zinc/32/11/93/1398321193.db2.gz HIMLJKUATVMRCF-XFXZXTDPSA-N -1 0 375.812 3.223 50 10 GGCARM O=C([O-])[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc(F)cc3)coc21 ZINC000004024700 1398376960 /nfs/dbraw/zinc/37/69/60/1398376960.db2.gz WZOBJNOPFAHZTE-KRWDZBQOSA-N -1 0 383.375 3.354 50 10 biogenic GGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)o3)C2=O)c1 ZINC000005061543 1398412121 /nfs/dbraw/zinc/41/21/21/1398412121.db2.gz LAIWUQXBBHSDMZ-WQLSENKSSA-N -1 0 375.178 3.017 50 10 GGCARM COc1ccc(N2C(=O)C(=CNc3cccc(Cl)c3)C(=O)[N-]C2=S)cc1 ZINC000005578709 1398455482 /nfs/dbraw/zinc/45/54/82/1398455482.db2.gz PBMCXRCWKWOPRZ-GDNBJRDFSA-N -1 0 387.848 3.092 50 10 GGCARM COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)c1O ZINC000015722572 1399189217 /nfs/dbraw/zinc/18/92/17/1399189217.db2.gz NLXFIDGXGIAZBS-WJDWOHSUSA-N -1 0 380.400 3.191 50 10 GGCARM CCN1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccccc4OC)coc32)CC1 ZINC000019790397 1399338788 /nfs/dbraw/zinc/33/87/88/1399338788.db2.gz HNJGSVLTNYDANM-UHFFFAOYSA-N -1 0 394.471 3.312 50 10 biogenic GGCARM COc1ccccc1Oc1c(C)oc2c(ccc([O-])c2CN2CCOCC2)c1=O ZINC000020358557 1399345144 /nfs/dbraw/zinc/34/51/44/1399345144.db2.gz YKTZPZUXDKGYON-UHFFFAOYSA-N -1 0 397.427 3.440 50 10 biogenic GGCARM COc1ccc(-c2c(C)c3ccc([O-])c(CN4CCOCC4)c3oc2=O)cc1 ZINC000020605054 1399350110 /nfs/dbraw/zinc/35/01/10/1399350110.db2.gz VVCAPCQOEFQOGB-UHFFFAOYSA-N -1 0 381.428 3.315 50 10 GGCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3c(C)cc(C)cc3C)C2=O)c(OC)c1 ZINC000022242132 1399446432 /nfs/dbraw/zinc/44/64/32/1399446432.db2.gz MQMNZUYNJTVZBB-YVLHZVERSA-N -1 0 394.427 3.295 50 10 GGCARM CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccnn1C ZINC000095478079 1410314712 /nfs/dbraw/zinc/31/47/12/1410314712.db2.gz LHQWVALSYPDFHM-UHFFFAOYSA-N -1 0 379.376 3.429 50 10 GGCARM Cc1c(C=C2C(=O)[N-]C(=O)NC2=O)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000001168773 209115350 /nfs/dbraw/zinc/11/53/50/209115350.db2.gz PPWYZNWHRUKTHL-UHFFFAOYSA-N -1 0 393.830 3.401 50 10 GGCARM CN1c2ccccc2C(=O)N2CCc3c4ccccc4n(CCC(=O)[O-])c3[C@H]12 ZINC000253394363 206281945 /nfs/dbraw/zinc/28/19/45/206281945.db2.gz AOMWUVILSDQYLT-OAQYLSRUSA-N -1 0 375.428 3.263 50 10 GGCARM COc1ccccc1-c1c(C)oc2c(ccc([O-])c2CN2CCOCC2)c1=O ZINC000020412377 206295772 /nfs/dbraw/zinc/29/57/72/206295772.db2.gz JQTNKITUPCOHAF-UHFFFAOYSA-N -1 0 381.428 3.315 50 10 biogenic GGCARM COc1ccc(-c2cc3ccc([O-])c(CN4CCOCC4)c3oc2=O)cc1OC ZINC000020605057 206295943 /nfs/dbraw/zinc/29/59/43/206295943.db2.gz KBJOQWOPGHRBIG-UHFFFAOYSA-N -1 0 397.427 3.015 50 10 GGCARM COc1ccc(-c2c(C)oc3c(ccc([O-])c3CN3CCN(C)CC3)c2=O)cc1 ZINC000019682137 206296183 /nfs/dbraw/zinc/29/61/83/206296183.db2.gz GHIYDMZSABPASM-UHFFFAOYSA-N -1 0 394.471 3.230 50 10 biogenic GGCARM CCN1CCN(Cc2c([O-])ccc3c(=O)c(-c4ccc(OC)cc4)coc32)CC1 ZINC000020437139 206297543 /nfs/dbraw/zinc/29/75/43/206297543.db2.gz VOBZFIRTULLBNJ-UHFFFAOYSA-N -1 0 394.471 3.312 50 10 biogenic GGCARM COc1ccc(Oc2c(C)oc3c(ccc([O-])c3CN3CCOCC3)c2=O)cc1 ZINC000020390880 206297338 /nfs/dbraw/zinc/29/73/38/206297338.db2.gz BSNGBVCGIHUQDV-UHFFFAOYSA-N -1 0 397.427 3.440 50 10 biogenic GGCARM COc1ccc(/C=C/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000000642056 206312321 /nfs/dbraw/zinc/31/23/21/206312321.db2.gz CUVOGYYDQAYINR-VXTNGOHYSA-N -1 0 382.416 3.222 50 10 GGCARM O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(Br)o1 ZINC000000661222 206312590 /nfs/dbraw/zinc/31/25/90/206312590.db2.gz PHSPHRXVZAPZTE-YRNVUSSQSA-N -1 0 395.209 3.013 50 10 GGCARM Cn1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000000757983 206320678 /nfs/dbraw/zinc/32/06/78/206320678.db2.gz OOFBMPMHFBUYHM-YBEGLDIGSA-N -1 0 379.803 3.498 50 10 GGCARM COc1cccc(CNc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1O ZINC000000793995 206321572 /nfs/dbraw/zinc/32/15/72/206321572.db2.gz CENSVXZQMJBVHY-UHFFFAOYSA-N -1 0 391.474 3.270 50 10 in-vitro GGCARM O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000000830947 206325161 /nfs/dbraw/zinc/32/51/61/206325161.db2.gz CEQPKVOXQXHKFE-VZUCSPMQSA-N -1 0 377.183 3.184 50 10 GGCARM COc1ccc(N2C(=O)C(=Cc3ccc(OC)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000000849715 206328049 /nfs/dbraw/zinc/32/80/49/206328049.db2.gz MFDCLLYSTDRXNM-XNTDXEJSSA-N -1 0 398.440 3.384 50 10 GGCARM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccs1 ZINC000000977476 206338085 /nfs/dbraw/zinc/33/80/85/206338085.db2.gz QKOHEHRYBROKDJ-WQLSENKSSA-N -1 0 393.287 3.342 50 10 GGCARM O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000000993859 206340172 /nfs/dbraw/zinc/34/01/72/206340172.db2.gz TYWZYBHHSGGSHB-KPKJPENVSA-N -1 0 378.171 3.363 50 10 GGCARM O=C1NC(=S)S/C1=C/c1cc(Br)c([O-])c(Br)c1 ZINC000001084655 206350790 /nfs/dbraw/zinc/35/07/90/206350790.db2.gz NFDKYEDDYDKYIA-XVNBXDOJSA-N -1 0 395.097 3.406 50 10 GGCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)o1 ZINC000001100224 206351767 /nfs/dbraw/zinc/35/17/67/206351767.db2.gz RTTYDINDKZRLFW-RVDMUPIBSA-N -1 0 387.436 3.096 50 10 GGCARM CCOc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(CC)c3C)C2=O)c1 ZINC000001134860 206357612 /nfs/dbraw/zinc/35/76/12/206357612.db2.gz VXOOWIWOXWIAOX-WOJGMQOQSA-N -1 0 381.432 3.190 50 10 GGCARM CCOc1ccc(N2C(=O)/C(=C/c3cccn3C(C)(C)C)C(=O)[N-]C2=S)cc1 ZINC000001137733 206359096 /nfs/dbraw/zinc/35/90/96/206359096.db2.gz JRJQHYNMXBLGGZ-GHRIWEEISA-N -1 0 397.500 3.473 50 10 GGCARM COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O ZINC000001151523 206359944 /nfs/dbraw/zinc/35/99/44/206359944.db2.gz LYGOASLBCMHXFO-NTEUORMPSA-N -1 0 390.823 3.319 50 10 GGCARM Cc1cc(C=C2C(=O)[N-]C(=O)NC2=O)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000001177906 206363512 /nfs/dbraw/zinc/36/35/12/206363512.db2.gz CMYHRLPJEFXBSG-UHFFFAOYSA-N -1 0 378.215 3.150 50 10 GGCARM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C\c1cccn1-c1ccccc1 ZINC000001186606 206364980 /nfs/dbraw/zinc/36/49/80/206364980.db2.gz VVPAYPVCGPQHJM-AQTBWJFISA-N -1 0 375.359 3.283 50 10 GGCARM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/C=C/c1ccco1 ZINC000001186817 206365017 /nfs/dbraw/zinc/36/50/17/206365017.db2.gz AZQODZUJEULAKB-BOAPOFAJSA-N -1 0 387.189 3.265 50 10 GGCARM Cc1ccsc1/C=C1\C(=O)[N-]C(=O)N(c2cccc(Br)c2)C1=O ZINC000001185879 206365355 /nfs/dbraw/zinc/36/53/55/206365355.db2.gz ACEDKMXFMBXAMJ-XYOKQWHBSA-N -1 0 391.246 3.485 50 10 GGCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 ZINC000001187062 206365579 /nfs/dbraw/zinc/36/55/79/206365579.db2.gz UFXIJBPWWMCOEZ-WUXMJOGZSA-N -1 0 377.183 3.365 50 10 GGCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(OC)c1OC ZINC000001192421 206365600 /nfs/dbraw/zinc/36/56/00/206365600.db2.gz HWEWRECTQFLKFW-NTEUORMPSA-N -1 0 382.372 3.219 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccs1 ZINC000001203523 206366820 /nfs/dbraw/zinc/36/68/20/206366820.db2.gz YAUGWEQGJSTZES-XYOKQWHBSA-N -1 0 377.219 3.177 50 10 GGCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Br)o1 ZINC000001215134 206367865 /nfs/dbraw/zinc/36/78/65/206367865.db2.gz MSFOBAQDGURNHZ-YRNVUSSQSA-N -1 0 395.209 3.013 50 10 GGCARM COc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c(C)[nH]c3ccccc32)C1=O ZINC000001225767 206369643 /nfs/dbraw/zinc/36/96/43/206369643.db2.gz VWBROHJMBZBUNH-RVDMUPIBSA-N -1 0 375.384 3.151 50 10 GGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(OC)c1OC ZINC000001255455 206370951 /nfs/dbraw/zinc/37/09/51/206370951.db2.gz OUEIQIHCPJZYLW-PTNGSMBKSA-N -1 0 396.399 3.215 50 10 GGCARM CC(=O)c1ccc(-c2ccc(C=C3SC(=S)N(CC(=O)[O-])C3=O)o2)cc1 ZINC000002994098 206452926 /nfs/dbraw/zinc/45/29/26/206452926.db2.gz CUWYDNXVZQVPIL-OVCLIPMQSA-N -1 0 387.438 3.435 50 10 GGCARM O=C([N-]N1C(=O)/C(=C/c2ccccc2)SC1=S)c1ccccc1[N+](=O)[O-] ZINC000005175302 206596724 /nfs/dbraw/zinc/59/67/24/206596724.db2.gz XSNKCCQKJBTEMT-UVTDQMKNSA-N -1 0 385.426 3.141 50 10 GGCARM C[C@H]1Cc2cc(/C=C3/C(=O)[N-]N(c4ccc(Br)cc4)C3=O)ccc2O1 ZINC000013892957 207004741 /nfs/dbraw/zinc/00/47/41/207004741.db2.gz DSDUGBYLCIJYOE-OKHBPPCESA-N -1 0 399.244 3.234 50 10 GGCARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1O ZINC000015722859 207055891 /nfs/dbraw/zinc/05/58/91/207055891.db2.gz BVCDXADJXAKQMM-QPEQYQDCSA-N -1 0 386.791 3.029 50 10 GGCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c2ccccc12 ZINC000015800083 207062040 /nfs/dbraw/zinc/06/20/40/207062040.db2.gz FUQPGTGHISQHQF-BOPFTXTBSA-N -1 0 376.368 3.103 50 10 GGCARM O=C([O-])COc1cccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c1 ZINC000016267749 207074511 /nfs/dbraw/zinc/07/45/11/207074511.db2.gz YMNZWZQBMDNFJV-ZSOIEALJSA-N -1 0 375.427 3.144 50 10 GGCARM CCCOc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)[O-])C2=O)cc1OC ZINC000016819008 207078436 /nfs/dbraw/zinc/07/84/36/207078436.db2.gz IMMXXAJMDOWWQQ-AHEVQNHNSA-N -1 0 381.475 3.158 50 10 GGCARM CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)/C1=C\c1ccc(Cl)cc1 ZINC000022910204 207264022 /nfs/dbraw/zinc/26/40/22/207264022.db2.gz YWTRFOQAFFEZPZ-YBEGLDIGSA-N -1 0 376.821 3.393 50 10 in-vitro GGCARM COc1ccc(/C=C2/C(=O)[N-]N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000032109798 207391998 /nfs/dbraw/zinc/39/19/98/207391998.db2.gz JPUOOFFOCQQDJL-ZSOIEALJSA-N -1 0 392.333 3.184 50 10 GGCARM CC1=NN(c2ccc3nncn3n2)C(=O)C1=CNc1cc(Cl)cc(Cl)c1 ZINC000101652947 208396094 /nfs/dbraw/zinc/39/60/94/208396094.db2.gz XSVWPIVZBULYPF-NTUHNPAUSA-N -1 0 388.218 3.150 50 10 GGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000008770123 221056462 /nfs/dbraw/zinc/05/64/62/221056462.db2.gz SEJOUFFFEGXVQD-YBEGLDIGSA-N -1 0 380.400 3.191 50 10 GGCARM Cn1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000000713079 136192976 /nfs/dbraw/zinc/19/29/76/136192976.db2.gz GXLKPZIEYHIDMS-UVTDQMKNSA-N -1 0 379.803 3.498 50 10 GGCARM COc1ccc(OC)c(/C=C2\C(=O)[N-]C(=O)N(c3c(C)cc(C)cc3C)C2=O)c1 ZINC000001438509 136193269 /nfs/dbraw/zinc/19/32/69/136193269.db2.gz YQCFWMAOHYMBJP-GZTJUZNOSA-N -1 0 394.427 3.295 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 ZINC000004924770 136196739 /nfs/dbraw/zinc/19/67/39/136196739.db2.gz YPJWNMHWDXRXSG-FOWTUZBSSA-N -1 0 383.379 3.075 50 10 GGCARM Cc1c(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)c2ccccc2n1C ZINC000015799016 136201864 /nfs/dbraw/zinc/20/18/64/136201864.db2.gz BKGHUNCPAQTPPT-PTNGSMBKSA-N -1 0 377.375 3.292 50 10 GGCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1O ZINC000001175855 535658871 /nfs/dbraw/zinc/65/88/71/535658871.db2.gz XVJMJZIFOVASIF-RIYZIHGNSA-N -1 0 397.343 3.206 50 10 GGCARM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)ccc1O ZINC000001178172 535659864 /nfs/dbraw/zinc/65/98/64/535659864.db2.gz CEDSYPZJOAMCEL-FMIVXFBMSA-N -1 0 386.791 3.111 50 10 GGCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)o3)C2=O)cc1 ZINC000013569378 536184227 /nfs/dbraw/zinc/18/42/27/536184227.db2.gz XHAJRBCBHKSKAL-UKTHLTGXSA-N -1 0 389.205 3.271 50 10 GGCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S ZINC000002442766 564187560 /nfs/dbraw/zinc/18/75/60/564187560.db2.gz JIRMTWCWZCAASZ-QENILXLESA-N -1 0 381.475 3.158 50 10 GGCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Br)s2)C1=O ZINC000004739688 564205937 /nfs/dbraw/zinc/20/59/37/564205937.db2.gz LLEMTDPJGZRGPB-DHZHZOJOSA-N -1 0 391.246 3.485 50 10 GGCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1cccc(Br)c1 ZINC000004724127 564206042 /nfs/dbraw/zinc/20/60/42/564206042.db2.gz DVMQJVFATAIFBJ-XFXZXTDPSA-N -1 0 389.180 3.255 50 10 GGCARM CCCN1C(=O)/C(=C\c2cccc(OCC)c2OCC(=O)[O-])SC1=S ZINC000004739755 564206607 /nfs/dbraw/zinc/20/66/07/564206607.db2.gz FVOLHOICKXOGDB-UKTHLTGXSA-N -1 0 381.475 3.160 50 10 GGCARM O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005769628 564218377 /nfs/dbraw/zinc/21/83/77/564218377.db2.gz WFNUROUBHIUJQZ-GHXNOFRVSA-N -1 0 378.171 3.363 50 10 GGCARM Cc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(C)C3=O)o2)c(Br)c1 ZINC000009066720 564251717 /nfs/dbraw/zinc/25/17/17/564251717.db2.gz AWXFTLHXJFXTAJ-XYOKQWHBSA-N -1 0 389.205 3.314 50 10 GGCARM Cc1ccc2nc(Cl)c(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)cc2c1 ZINC000011692950 564264596 /nfs/dbraw/zinc/26/45/96/564264596.db2.gz KUIDGZDVKKYAJH-SDQBBNPISA-N -1 0 378.862 3.482 50 10 GGCARM COc1cccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)c1OC ZINC000012438408 564268420 /nfs/dbraw/zinc/26/84/20/564268420.db2.gz PJEKOILLZDITLD-YQCJOKCJSA-N -1 0 381.475 3.014 50 10 GGCARM COc1cccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)c1O ZINC000013350083 564276044 /nfs/dbraw/zinc/27/60/44/564276044.db2.gz JWGRPVVOMKLPMC-RAXLEYEMSA-N -1 0 381.475 3.247 50 10 GGCARM COc1ccccc1/C=C1\SC(=S)N([C@H](CCSC)C(=O)[O-])C1=O ZINC000013576648 564277105 /nfs/dbraw/zinc/27/71/05/564277105.db2.gz CPQDQINQUMLTEX-NASPGAHYSA-N -1 0 383.516 3.103 50 10 GGCARM COc1ccc(-c2ccc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)o2)cc1 ZINC000013576883 564277190 /nfs/dbraw/zinc/27/71/90/564277190.db2.gz RMYNLYNJRHVJNU-ZSOIEALJSA-N -1 0 375.427 3.241 50 10 GGCARM CCOc1cc(/C=C2\SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)ccc1O ZINC000013576651 564277516 /nfs/dbraw/zinc/27/75/16/564277516.db2.gz IWXBLKQFHOBYGK-MQJVFOOVSA-N -1 0 381.475 3.101 50 10 GGCARM CC(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000001174446 570253719 /nfs/dbraw/zinc/25/37/19/570253719.db2.gz CERYPVFRHVXJCG-CXUHLZMHSA-N -1 0 378.384 3.205 50 10 GGCARM CC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2C1=O ZINC000001176345 570254484 /nfs/dbraw/zinc/25/44/84/570254484.db2.gz VDBBLRKPKYQPCR-UHFFFAOYSA-N -1 0 380.400 3.279 50 10 GGCARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S ZINC000002568455 570290913 /nfs/dbraw/zinc/29/09/13/570290913.db2.gz OWLCEBGYKTXELX-CNYBTUBUSA-N -1 0 385.466 3.289 50 10 GGCARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NCc3ccccc3O)cc2)n1 ZINC000002884734 570316368 /nfs/dbraw/zinc/31/63/68/570316368.db2.gz HQYKSXQXEODHTI-UHFFFAOYSA-N -1 0 384.461 3.212 50 10 GGCARM CCCCCCN1C(=O)[N-]C(=O)/C(=C\c2cc3c4c(c2)CCCN4[C@@H](C)C3)C1=O ZINC000006240729 570347814 /nfs/dbraw/zinc/34/78/14/570347814.db2.gz DZCSDKRNIDZRLK-FHHIAAGZSA-N -1 0 395.503 3.426 50 10 GGCARM COC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])C[C@@H](C)CC2 ZINC000006253687 570350050 /nfs/dbraw/zinc/35/00/50/570350050.db2.gz XRPSRZRVUHRTKN-TUAOUCFPSA-N -1 0 379.478 3.489 50 10 GGCARM O=C([O-])c1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O ZINC000004649234 570389364 /nfs/dbraw/zinc/38/93/64/570389364.db2.gz ZNVJAVUBPXXNQF-UHFFFAOYSA-N -1 0 390.351 3.026 50 10 GGCARM CCC(=O)N[C@@H](c1ccccc1OC)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004684861 570392975 /nfs/dbraw/zinc/39/29/75/570392975.db2.gz MWJQADAFEHDUAX-SFHVURJKSA-N -1 0 381.388 3.473 50 10 GGCARM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O ZINC000004704572 570395713 /nfs/dbraw/zinc/39/57/13/570395713.db2.gz PFTXCBOXNRUGER-NTEUORMPSA-N -1 0 386.791 3.111 50 10 GGCARM O=C([O-])c1cc(NCc2ccc(N3CCCC3)cc2)ccc1N1CCOCC1 ZINC000004705129 570396152 /nfs/dbraw/zinc/39/61/52/570396152.db2.gz QCIOUFLHSAKRFN-UHFFFAOYSA-N -1 0 381.476 3.434 50 10 GGCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(F)c3)C2=O)cc1Cl ZINC000004723771 570397794 /nfs/dbraw/zinc/39/77/94/570397794.db2.gz TVJINOJAOASREI-NTUHNPAUSA-N -1 0 390.823 3.319 50 10 GGCARM COC(=O)c1ccccc1N=C(C)c1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000004741216 570401131 /nfs/dbraw/zinc/40/11/31/570401131.db2.gz VNEGCMYNVSOZEG-LDADJPATSA-N -1 0 394.387 3.490 50 10 GGCARM CCOc1cccc(N2C(=O)/C(=C\c3ccc(OC)cc3C)C(=O)[N-]C2=S)c1 ZINC000004742196 570401463 /nfs/dbraw/zinc/40/14/63/570401463.db2.gz NBTFWIGCQZORAG-WQRHYEAKSA-N -1 0 396.468 3.234 50 10 GGCARM CCCN1C(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)[O-])cc2C1=O ZINC000004825373 570409167 /nfs/dbraw/zinc/40/91/67/570409167.db2.gz PDKGYPVVUJFEDN-UHFFFAOYSA-N -1 0 386.791 3.297 50 10 GGCARM Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)cc3)C(=O)[N-]C2=S)cc1 ZINC000005044052 570425499 /nfs/dbraw/zinc/42/54/99/570425499.db2.gz NZMCFUBTSWIBFC-RGEXLXHISA-N -1 0 391.496 3.427 50 10 GGCARM COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)CCCC(=O)[O-])c1O ZINC000005043647 570498728 /nfs/dbraw/zinc/49/87/28/570498728.db2.gz OWCYILXEZLGGGK-AWEZNQCLSA-N -1 0 388.445 3.395 50 10 GGCARM O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C(=O)N1 ZINC000002726751 570511139 /nfs/dbraw/zinc/51/11/39/570511139.db2.gz YKYDCJGSESVMAN-UHFFFAOYSA-N -1 0 391.210 3.322 50 10 GGCARM COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1 ZINC000012417779 570657131 /nfs/dbraw/zinc/65/71/31/570657131.db2.gz QSOMFEQSSASVFM-KAMYIIQDSA-N -1 0 393.486 3.319 50 10 GGCARM CCOc1cc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)ccc1O ZINC000012468336 570671806 /nfs/dbraw/zinc/67/18/06/570671806.db2.gz OKFMNMAPPMJKKH-XNTDXEJSSA-N -1 0 396.468 3.239 50 10 GGCARM COc1ccc2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(Cc2ccco2)C1=O ZINC000012631117 570693344 /nfs/dbraw/zinc/69/33/44/570693344.db2.gz YFVHHXTVZOPWSO-BOPFTXTBSA-N -1 0 376.368 3.103 50 10 GGCARM O=C1[N-]C(=O)C(=Cc2cn(Cc3c(F)cccc3Cl)c3ccccc23)C(=O)N1 ZINC000001163676 570712862 /nfs/dbraw/zinc/71/28/62/570712862.db2.gz UBXLYBNKRZMWCE-UHFFFAOYSA-N -1 0 397.793 3.232 50 10 GGCARM CCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)cc1OC ZINC000013564293 570758880 /nfs/dbraw/zinc/75/88/80/570758880.db2.gz FPEZMCUEHIOQSA-MZLJFPOFSA-N -1 0 395.502 3.404 50 10 GGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1O ZINC000001201617 570793814 /nfs/dbraw/zinc/79/38/14/570793814.db2.gz SLJFHQUCRGHKMC-MHWRWJLKSA-N -1 0 380.400 3.191 50 10 GGCARM C[C@@H]1CCc2cc(F)ccc2N1/C=C1/C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000033315656 570971600 /nfs/dbraw/zinc/97/16/00/570971600.db2.gz SHGLUBCEWOIIIL-VVTMIQRTSA-N -1 0 393.418 3.129 50 10 GGCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc3c(cc2Cl)OCO3)C1=O ZINC000001192548 1398301431 /nfs/dbraw/zinc/30/14/31/1398301431.db2.gz HXEGMJPDKWNLLV-WUXMJOGZSA-N -1 0 384.775 3.044 50 10 GGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)cc3)C2=O)c1 ZINC000001192820 1398301561 /nfs/dbraw/zinc/30/15/61/1398301561.db2.gz RXNCRHOIZOOTDN-XMHGGMMESA-N -1 0 375.428 3.262 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cnn(-c2ccccc2)c1 ZINC000001181668 1398301840 /nfs/dbraw/zinc/30/18/40/1398301840.db2.gz AEXCEXTVEKUUFC-LICLKQGHSA-N -1 0 392.802 3.192 50 10 GGCARM O=C1[N-]C(=S)N(c2cccc(C(F)(F)F)c2)C(=O)C1=CNN1CCCCC1 ZINC000001259964 1398302315 /nfs/dbraw/zinc/30/23/15/1398302315.db2.gz YTPNTNLVKKZNQN-JLHYYAGUSA-N -1 0 398.410 3.168 50 10 GGCARM COc1ccc(N2C(=O)C(=Cc3ccc(O)c(OC)c3)C(=O)[N-]C2=S)cc1 ZINC000002293004 1398306594 /nfs/dbraw/zinc/30/65/94/1398306594.db2.gz KAKSQOWODGWUCM-NTEUORMPSA-N -1 0 384.413 3.081 50 10 GGCARM COc1ccc(CN2C(=O)[N-]C(=O)/C(=C/c3c(C)[nH]c4ccccc34)C2=O)cc1 ZINC000002283213 1398306815 /nfs/dbraw/zinc/30/68/15/1398306815.db2.gz YMSFSKBIRLVTGT-WQRHYEAKSA-N -1 0 389.411 3.147 50 10 GGCARM O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccccc1F ZINC000002892734 1398321057 /nfs/dbraw/zinc/32/10/57/1398321057.db2.gz GBKPBMNUIUMKJM-XFXZXTDPSA-N -1 0 375.812 3.223 50 10 GGCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=CNc1ccccc1Cl ZINC000002892709 1398321219 /nfs/dbraw/zinc/32/12/19/1398321219.db2.gz DALQSBLSGNUIEL-KTKRTIGZSA-N -1 0 375.812 3.223 50 10 GGCARM CC(C)CN(CC(C)C)c1ccc(C=C2C(=O)[N-]C(=O)NC2=O)cc1[N+](=O)[O-] ZINC000004181341 1398382690 /nfs/dbraw/zinc/38/26/90/1398382690.db2.gz HFAGXFVDTSVFMF-UHFFFAOYSA-N -1 0 388.424 3.303 50 10 GGCARM CN1C(=O)[N-]C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000005061760 1398411903 /nfs/dbraw/zinc/41/19/03/1398411903.db2.gz XCCRDJFYBUQOPI-YVLHZVERSA-N -1 0 393.830 3.435 50 10 GGCARM CN(C)c1ccc(C=C2C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)cc1 ZINC000008995146 1398851676 /nfs/dbraw/zinc/85/16/76/1398851676.db2.gz DUOAHXDWDOWUJX-QGOAFFKASA-N -1 0 381.407 3.437 50 10 GGCARM COc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1OC ZINC000015659244 1399182977 /nfs/dbraw/zinc/18/29/77/1399182977.db2.gz FQBGHNNGFHHLMU-UVTDQMKNSA-N -1 0 386.791 3.024 50 10 GGCARM COc1cc(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c1O ZINC000019788629 1399338017 /nfs/dbraw/zinc/33/80/17/1399338017.db2.gz ZWHALFSMGBKCKZ-ZSOIEALJSA-N -1 0 386.791 3.029 50 10 GGCARM COc1cc(Cl)cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1O ZINC000022135375 1399438988 /nfs/dbraw/zinc/43/89/88/1399438988.db2.gz NGHWYJPHWGOZDV-ZSOIEALJSA-N -1 0 386.791 3.029 50 10 GGCARM O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3 ZINC000004037319 1126075801 /nfs/dbraw/zinc/07/58/01/1126075801.db2.gz XKZOQPCOAKEAMA-IBGZPJMESA-N -1 0 393.439 3.163 50 10 biogenic GGCARM CN(C)c1ccc(NC=C2C(=O)[N-]C(=O)N(CCC3=CCCCC3)C2=O)cc1 ZINC000017971829 210211199 /nfs/dbraw/zinc/21/11/99/210211199.db2.gz OHNGUUVGPAAKLS-JXAWBTAJSA-N -1 0 382.464 3.017 50 10 GGCARM COc1ccc(CN2C(=O)[N-]C(=O)C(=Cc3c(C)[nH]c4ccccc34)C2=O)cc1 ZINC000017112293 210203621 /nfs/dbraw/zinc/20/36/21/210203621.db2.gz YMSFSKBIRLVTGT-WOJGMQOQSA-N -1 0 389.411 3.351 50 10 GGCARM CCOC(=O)c1c2c(sc1NC(=O)[C@H]1C3CCC(CC3)[C@H]1C(=O)[O-])CCC2 ZINC000017079943 210203328 /nfs/dbraw/zinc/20/33/28/210203328.db2.gz BUKQBTZRANOPRH-RLNQVHQUSA-N -1 0 391.489 3.489 50 10 GGCARM COC(=O)c1c2c(sc1NC(=O)[C@H]1C3CCC(CC3)[C@H]1C(=O)[O-])CCCC2 ZINC000017079939 210203003 /nfs/dbraw/zinc/20/30/03/210203003.db2.gz NTHDEMARMNPSMK-RLNQVHQUSA-N -1 0 391.489 3.489 50 10 GGCARM CCOC(=O)c1c2c(sc1NC(=O)[C@@H]1C3CCC(CC3)[C@H]1C(=O)[O-])CCC2 ZINC000017079942 210202778 /nfs/dbraw/zinc/20/27/78/210202778.db2.gz BUKQBTZRANOPRH-FWFPMQDGSA-N -1 0 391.489 3.489 50 10 GGCARM CCOC(=O)c1c2c(sc1NC(=O)[C@H]1C3CCC(CC3)[C@@H]1C(=O)[O-])CCC2 ZINC000017079941 210202665 /nfs/dbraw/zinc/20/26/65/210202665.db2.gz BUKQBTZRANOPRH-HBGGEXNNSA-N -1 0 391.489 3.489 50 10 GGCARM COC(=O)c1c2c(sc1NC(=O)[C@@H]1C3CCC(CC3)[C@H]1C(=O)[O-])CCCC2 ZINC000017079938 210202196 /nfs/dbraw/zinc/20/21/96/210202196.db2.gz NTHDEMARMNPSMK-FWFPMQDGSA-N -1 0 391.489 3.489 50 10 GGCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1O ZINC000017058256 210201692 /nfs/dbraw/zinc/20/16/92/210201692.db2.gz PJYLRQZQSXKTMC-NTUHNPAUSA-N -1 0 386.791 3.233 50 10 GGCARM CN1C(=O)[N-]C(=O)C(=Cc2ccc(-c3ccc(Br)cc3)o2)C1=O ZINC000017056723 210201038 /nfs/dbraw/zinc/20/10/38/210201038.db2.gz QOZTWCYGSXDEOB-XYOKQWHBSA-N -1 0 375.178 3.005 50 10 GGCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S ZINC000016936825 210199148 /nfs/dbraw/zinc/19/91/48/210199148.db2.gz ZQNVGQATEPSXGF-OWTLUSIOSA-N -1 0 375.471 3.316 50 10 GGCARM CCOc1ccc(Br)cc1/C=C1/C(=O)[N-]N(c2ccccc2)C1=O ZINC000016667900 210193180 /nfs/dbraw/zinc/19/31/80/210193180.db2.gz WBDVREWUXQDXEI-PTNGSMBKSA-N -1 0 387.233 3.309 50 10 GGCARM CCc1cc(Br)ccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000013948546 210098059 /nfs/dbraw/zinc/09/80/59/210098059.db2.gz WLWUQPKZVGGMDZ-UHFFFAOYSA-N -1 0 382.239 3.349 50 10 GGCARM COc1ccc(OC)c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000013944008 210098013 /nfs/dbraw/zinc/09/80/13/210098013.db2.gz OKSIOQFLJLPYRG-GDNBJRDFSA-N -1 0 386.791 3.024 50 10 GGCARM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=CC=Cc3ccco3)C2=O)c1 ZINC000013810252 210092047 /nfs/dbraw/zinc/09/20/47/210092047.db2.gz YJWOJYAFDKAOQV-DEXRQOOTSA-N -1 0 396.399 3.300 50 10 GGCARM COc1cccc(C=C2C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)c1OC ZINC000013773723 210090465 /nfs/dbraw/zinc/09/04/65/210090465.db2.gz AFLYWFBBQGSAHY-GDNBJRDFSA-N -1 0 384.363 3.345 50 10 GGCARM Cc1ccc(C)c(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CC[C@@H](C)C3)c1 ZINC000006471458 209651440 /nfs/dbraw/zinc/65/14/40/209651440.db2.gz YVZSHAJHLOXPGV-SNVBAGLBSA-N -1 0 378.519 3.389 50 10 GGCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S ZINC000005351688 209589828 /nfs/dbraw/zinc/58/98/28/209589828.db2.gz VLCRZRLOWXCGKH-AAWPKVBNSA-N -1 0 387.438 3.125 50 10 GGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccccc34)C2=O)cc1Cl ZINC000005024648 209559778 /nfs/dbraw/zinc/55/97/78/209559778.db2.gz WLXPGQANMVLGGM-ZSOIEALJSA-N -1 0 395.802 3.496 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(Br)o1 ZINC000004674993 209508796 /nfs/dbraw/zinc/50/87/96/209508796.db2.gz LSRZBFGGWLQPEB-XFFZJAGNSA-N -1 0 395.596 3.362 50 10 GGCARM CCOc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000004075370 209463232 /nfs/dbraw/zinc/46/32/32/209463232.db2.gz BHNSKPOUHQJDTG-WJDWOHSUSA-N -1 0 385.807 3.318 50 10 GGCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cc(OC)ccc2OC)SC1=S ZINC000002452579 209365426 /nfs/dbraw/zinc/36/54/26/209365426.db2.gz RKUJFMHPDZGJGJ-CJAAZZPWSA-N -1 0 381.475 3.158 50 10 GGCARM COc1ccc(-c2ccc(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)o2)cc1 ZINC000002698193 209377971 /nfs/dbraw/zinc/37/79/71/209377971.db2.gz RMYNLYNJRHVJNU-RIYZIHGNSA-N -1 0 375.427 3.241 50 10 GGCARM O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=S)N1CCS(=O)(=O)[O-] ZINC000002287562 209355213 /nfs/dbraw/zinc/35/52/13/209355213.db2.gz OMPKYAGFVCOLFE-BJMVGYQFSA-N -1 0 398.314 3.082 50 10 GGCARM COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1 ZINC000002076996 209344385 /nfs/dbraw/zinc/34/43/85/209344385.db2.gz WXAWKEYJOVYWIO-PTNGSMBKSA-N -1 0 381.359 3.401 50 10 GGCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)c(OCC)c2)SC1=S ZINC000001786445 209340409 /nfs/dbraw/zinc/34/04/09/209340409.db2.gz HQFQSRQBXRJPMS-HOXUKUGESA-N -1 0 381.475 3.245 50 10 GGCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S ZINC000001835943 209340085 /nfs/dbraw/zinc/34/00/85/209340085.db2.gz CEHNYMOHYRFEJA-NTUHNPAUSA-N -1 0 390.398 3.141 50 10 GGCARM COc1ccc(OC)c(/C=C2\SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000001816410 209339934 /nfs/dbraw/zinc/33/99/34/209339934.db2.gz QRPFLBNGSUZPSD-MQJVFOOVSA-N -1 0 381.475 3.014 50 10 GGCARM COc1ccc(OC)c(/C=C2\SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000001816412 209339827 /nfs/dbraw/zinc/33/98/27/209339827.db2.gz QRPFLBNGSUZPSD-YLHGKKIISA-N -1 0 381.475 3.014 50 10 GGCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000001765990 209338640 /nfs/dbraw/zinc/33/86/40/209338640.db2.gz AKXUDAFIAPJMTD-JLHYYAGUSA-N -1 0 380.447 3.441 50 10 GGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)cc1OC ZINC000001241293 209318182 /nfs/dbraw/zinc/31/81/82/209318182.db2.gz HIOQLJQHWLEQRE-LFIBNONCSA-N -1 0 398.390 3.388 50 10 GGCARM Cc1ccc(N2[N-]C(=O)/C(=C\c3cc(Br)ccc3O)C2=O)cc1C ZINC000001228177 209316475 /nfs/dbraw/zinc/31/64/75/209316475.db2.gz DJNMRYXILIOFKU-OQLLNIDSSA-N -1 0 387.233 3.233 50 10 GGCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1cccn1-c1ccccc1 ZINC000001178150 209310901 /nfs/dbraw/zinc/31/09/01/209310901.db2.gz BODQPGPCOUETEQ-DTQAZKPQSA-N -1 0 391.427 3.448 50 10 GGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)o3)C2=O)cc1 ZINC000001195245 209313666 /nfs/dbraw/zinc/31/36/66/209313666.db2.gz LCNOGFDBDNXYCU-XYOKQWHBSA-N -1 0 375.178 3.017 50 10 GGCARM Cc1ccccc1/C=C1\C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000001204924 209313686 /nfs/dbraw/zinc/31/36/86/209313686.db2.gz WEYVNTBNJNCOOO-XNTDXEJSSA-N -1 0 385.217 3.424 50 10 GGCARM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1O ZINC000001206518 209313427 /nfs/dbraw/zinc/31/34/27/209313427.db2.gz NGVAZHVILAKQON-MHWRWJLKSA-N -1 0 380.400 3.074 50 10 GGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)o3)C2=O)cc1C ZINC000001186281 209312364 /nfs/dbraw/zinc/31/23/64/209312364.db2.gz ZLLJVHPZVRLGAJ-MDWZMJQESA-N -1 0 389.205 3.325 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(N2CCOCC2)cc1 ZINC000001152948 209307974 /nfs/dbraw/zinc/30/79/74/209307974.db2.gz MRLJMXMLZXSWHF-QGOAFFKASA-N -1 0 395.390 3.169 50 10 GGCARM COc1cc(/C=C2\C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1OC ZINC000001071422 209297027 /nfs/dbraw/zinc/29/70/27/209297027.db2.gz LSTBMTGZWQTXPR-OVCLIPMQSA-N -1 0 386.835 3.435 50 10 GGCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S ZINC000009484592 209274361 /nfs/dbraw/zinc/27/43/61/209274361.db2.gz ZQNVGQATEPSXGF-UJMHRVFCSA-N -1 0 375.471 3.316 50 10 GGCARM CCc1nnc([N-]S(=O)(=O)c2ccc(NCc3ccccc3O)cc2)s1 ZINC000000793997 209265036 /nfs/dbraw/zinc/26/50/36/209265036.db2.gz SQIOMOOHQGQQOE-UHFFFAOYSA-N -1 0 390.490 3.219 50 10 GGCARM CCOc1ccccc1/C=C1\C(=O)[N-]N(c2ccc(Br)cc2)C1=O ZINC000000682815 209259278 /nfs/dbraw/zinc/25/92/78/209259278.db2.gz KCWWTFYCHRSHSD-RVDMUPIBSA-N -1 0 387.233 3.309 50 10 GGCARM CC(C)Oc1ccccc1/C=C1\C(=O)[N-]C(=S)N(c2cccc(F)c2)C1=O ZINC000000661189 209256661 /nfs/dbraw/zinc/25/66/61/209256661.db2.gz BULHEWPDDJGKGL-MHWRWJLKSA-N -1 0 384.432 3.444 50 10 GGCARM Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(N4CCCC4)o3)C(=O)[N-]C2=S)c1 ZINC000000631924 209253103 /nfs/dbraw/zinc/25/31/03/209253103.db2.gz CXZLDKARDIAXAY-SFQUDFHCSA-N -1 0 395.484 3.328 50 10 GGCARM COc1ccc(-c2c(C)oc3c(ccc([O-])c3CN3CCOCC3)c2=O)cc1 ZINC000020437127 209236069 /nfs/dbraw/zinc/23/60/69/209236069.db2.gz YJACCPIZFPHFDJ-UHFFFAOYSA-N -1 0 381.428 3.315 50 10 biogenic GGCARM COc1ccccc1-c1c(C)oc2c(ccc([O-])c2CN2CCN(C)CC2)c1=O ZINC000019682125 209234483 /nfs/dbraw/zinc/23/44/83/209234483.db2.gz JQJJXTBLXLMADV-UHFFFAOYSA-N -1 0 394.471 3.230 50 10 GGCARM COc1ccc([N+](=O)[O-])cc1C=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000001434503 212060230 /nfs/dbraw/zinc/06/02/30/212060230.db2.gz CGZKNEXQQYDEAZ-XNTDXEJSSA-N -1 0 381.344 3.106 50 10 GGCARM COc1ccc(/N=N/c2ccccc2)cc1S(=O)(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000104766345 209176572 /nfs/dbraw/zinc/17/65/72/209176572.db2.gz OXBXEAIWPZCQDU-FZFLATATSA-N -1 0 389.433 3.348 50 10 GGCARM COC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])C[C@H](C)CC2 ZINC000229900325 211956397 /nfs/dbraw/zinc/95/63/97/211956397.db2.gz XRPSRZRVUHRTKN-IJLUTSLNSA-N -1 0 379.478 3.489 50 10 GGCARM CC1=CC(=[NH+][N-]c2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)C(N)=CC1=O ZINC000097758762 211370156 /nfs/dbraw/zinc/37/01/56/211370156.db2.gz DZTGIRNXWSZBIM-QURGRASLSA-N -1 0 383.433 3.316 50 10 in-vitro GGCARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cc(C)ccc3O)C2)cc1 ZINC000080316278 211158407 /nfs/dbraw/zinc/15/84/07/211158407.db2.gz AZIYWGHSWJVSSZ-GOSISDBHSA-N -1 0 382.416 3.252 50 10 GGCARM COc1ccc(Oc2coc3c(ccc([O-])c3CN3CCN(C)CC3)c2=O)cc1 ZINC000019789743 210295003 /nfs/dbraw/zinc/29/50/03/210295003.db2.gz ZBNKUUXMPQMTCO-UHFFFAOYSA-N -1 0 396.443 3.047 50 10 GGCARM CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)o1 ZINC000012363644 221184431 /nfs/dbraw/zinc/18/44/31/221184431.db2.gz OIZYEAKVFLZPHC-QINSGFPZSA-N -1 0 383.473 3.266 50 10 GGCARM Cc1cccc(N2C(=O)/C(=C/N3CCCc4ccccc43)C(=O)[N-]C2=S)c1 ZINC000098086655 136189047 /nfs/dbraw/zinc/18/90/47/136189047.db2.gz TWSPIBBFEHONPT-GHRIWEEISA-N -1 0 377.469 3.079 50 10 GGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1Cl ZINC000002197777 136193386 /nfs/dbraw/zinc/19/33/86/136193386.db2.gz VERLSFILVRVEHZ-MHWRWJLKSA-N -1 0 383.835 3.381 50 10 GGCARM CN(C)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000001198412 136196136 /nfs/dbraw/zinc/19/61/36/136196136.db2.gz XYUALMWDPICBJY-MHWRWJLKSA-N -1 0 385.876 3.237 50 10 GGCARM Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccco2)C(=O)[N-]C1=S ZINC000001203874 136196217 /nfs/dbraw/zinc/19/62/17/136196217.db2.gz VJUIVHXIZRGSBA-XYOKQWHBSA-N -1 0 391.246 3.182 50 10 GGCARM CCOc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000101086124 136196277 /nfs/dbraw/zinc/19/62/77/136196277.db2.gz YQHCYBPCIADKLQ-PDGQHHTCSA-N -1 0 395.484 3.446 50 10 GGCARM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cc(C)ccc3C)C2=O)ccc1O ZINC000001177153 535658463 /nfs/dbraw/zinc/65/84/63/535658463.db2.gz QFUPNLSFUXDCCI-XNTDXEJSSA-N -1 0 380.400 3.074 50 10 GGCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)o1 ZINC000001180505 535682310 /nfs/dbraw/zinc/68/23/10/535682310.db2.gz OIZYEAKVFLZPHC-NTCAYCPXSA-N -1 0 383.473 3.266 50 10 GGCARM COc1ccc(N2C(=O)/C(=C/c3cccn3C(C)(C)C)C(=O)[N-]C2=S)cc1 ZINC000100826056 536658326 /nfs/dbraw/zinc/65/83/26/536658326.db2.gz RYRHKOMWUNSCET-FOWTUZBSSA-N -1 0 383.473 3.083 50 10 GGCARM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc[nH]1 ZINC000001269043 564184129 /nfs/dbraw/zinc/18/41/29/564184129.db2.gz UIRMDUUWNQBCBS-WQLSENKSSA-N -1 0 376.235 3.020 50 10 GGCARM CCOc1ccc(/C=C2\SC(=S)N([C@@H](CC)C(=O)[O-])C2=O)cc1OC ZINC000001299035 564184478 /nfs/dbraw/zinc/18/44/78/564184478.db2.gz JLTUQRNYSCUPSV-HOXUKUGESA-N -1 0 381.475 3.158 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/C=C/c1ccco1 ZINC000001182069 564184920 /nfs/dbraw/zinc/18/49/20/564184920.db2.gz XHISZIPNECQNEU-GSPDUGTFSA-N -1 0 387.189 3.265 50 10 GGCARM CCC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(OC)c2OC)SC1=S ZINC000004356849 564202946 /nfs/dbraw/zinc/20/29/46/564202946.db2.gz RMTBGGGXDKGXOC-KWJWQAOWSA-N -1 0 381.475 3.158 50 10 GGCARM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccco3)C2=O)ccc1Br ZINC000004704231 564206097 /nfs/dbraw/zinc/20/60/97/564206097.db2.gz ZFAJCBMDDYZFHI-WQLSENKSSA-N -1 0 375.178 3.017 50 10 GGCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(O)cc1 ZINC000004746500 564206485 /nfs/dbraw/zinc/20/64/85/564206485.db2.gz OWRDLBXHQANDPZ-DHZHZOJOSA-N -1 0 377.183 3.365 50 10 GGCARM CCOc1ccc(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cc1OCC ZINC000006155823 564221389 /nfs/dbraw/zinc/22/13/89/564221389.db2.gz XTMLNJMVWZRINQ-GXDHUFHOSA-N -1 0 381.475 3.160 50 10 GGCARM COc1ccc(Cl)c2ccc(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)nc12 ZINC000006660967 564225935 /nfs/dbraw/zinc/22/59/35/564225935.db2.gz FMGYNLUSMPJGRX-SDQBBNPISA-N -1 0 394.861 3.183 50 10 GGCARM COc1ccc(/C=C2/C(=O)[N-]N(c3ccc(C)cc3)C2=O)cc1Br ZINC000022023145 564313905 /nfs/dbraw/zinc/31/39/05/564313905.db2.gz OFXJFBVIUREAGC-ZROIWOOFSA-N -1 0 387.233 3.228 50 10 GGCARM Cc1ccc(S(=O)(=O)[N-]N2C(=O)/C(=C\c3cccs3)SC2=S)cc1 ZINC000027229633 564352700 /nfs/dbraw/zinc/35/27/00/564352700.db2.gz YPWLBUPPYWZWNP-UKTHLTGXSA-N -1 0 396.540 3.151 50 10 GGCARM Cc1cc(C)cc(OCCOc2cccc(C=C3C(=O)[N-]C(=O)NC3=O)c2)c1 ZINC000002977909 570321549 /nfs/dbraw/zinc/32/15/49/570321549.db2.gz QWBDCXYLLVKTDM-UHFFFAOYSA-N -1 0 380.400 3.351 50 10 GGCARM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc4ccccc4c3)C2=O)cc1 ZINC000003004311 570325799 /nfs/dbraw/zinc/32/57/99/570325799.db2.gz ZZTNVGMHIFNQLW-UYRXBGFRSA-N -1 0 387.395 3.427 50 10 GGCARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S ZINC000003071881 570327603 /nfs/dbraw/zinc/32/76/03/570327603.db2.gz OWLCEBGYKTXELX-DFSFMLJYSA-N -1 0 385.466 3.289 50 10 GGCARM CCCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3C(=O)[O-])cc2C1=O ZINC000003667957 570349850 /nfs/dbraw/zinc/34/98/50/570349850.db2.gz CARKOUWAICHFPI-UHFFFAOYSA-N -1 0 386.791 3.297 50 10 GGCARM COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000004178572 570361201 /nfs/dbraw/zinc/36/12/01/570361201.db2.gz QNCPGOIWERLDBR-BVIHXZOGSA-N -1 0 389.473 3.265 50 10 GGCARM CC(C)(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000004544506 570383086 /nfs/dbraw/zinc/38/30/86/570383086.db2.gz RIUWMHVNCAPCPH-MHWRWJLKSA-N -1 0 392.411 3.379 50 10 GGCARM CC(C)Oc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)cc1 ZINC000004614214 570387690 /nfs/dbraw/zinc/38/76/90/570387690.db2.gz SUOPTDCOOSORRF-BOPFTXTBSA-N -1 0 384.432 3.444 50 10 GGCARM CCC(=O)N[C@@H](c1ccc(OC)cc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004684863 570392858 /nfs/dbraw/zinc/39/28/58/570392858.db2.gz GCDIZYCSTSTQDB-SFHVURJKSA-N -1 0 381.388 3.473 50 10 GGCARM COc1cc(/C=C2\C(C)=NN(c3ccccc3)C2=O)ccc1O[C@H](C)C(=O)[O-] ZINC000004699015 570394515 /nfs/dbraw/zinc/39/45/15/570394515.db2.gz PFGVSLYCXWQCQV-SWEABUAFSA-N -1 0 380.400 3.353 50 10 GGCARM Cc1ccc(N2C(=O)/C(=C\c3ccc(N4CCCC4)o3)C(=O)[N-]C2=S)cc1 ZINC000004739003 570400395 /nfs/dbraw/zinc/40/03/95/570400395.db2.gz XOPYHFMYLWWJNA-VBKFSLOCSA-N -1 0 381.457 3.020 50 10 GGCARM CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)cc1 ZINC000005032699 570401317 /nfs/dbraw/zinc/40/13/17/570401317.db2.gz FNBYOHSAUKMXLT-SAIXKJTDSA-N -1 0 383.360 3.368 50 10 GGCARM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000005647492 570449780 /nfs/dbraw/zinc/44/97/80/570449780.db2.gz TZLTUBOCPURWDI-XNTDXEJSSA-N -1 0 385.807 3.236 50 10 GGCARM Cc1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)sc2c1 ZINC000006863212 570497157 /nfs/dbraw/zinc/49/71/57/570497157.db2.gz WZVOZSNSPQVJFJ-RAXLEYEMSA-N -1 0 378.413 3.184 50 10 GGCARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccccc3O)C2)cc1 ZINC000005043656 570498657 /nfs/dbraw/zinc/49/86/57/570498657.db2.gz JTHYOSLTFHOPMQ-SFHVURJKSA-N -1 0 382.416 3.333 50 10 GGCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1 ZINC000008744358 570539647 /nfs/dbraw/zinc/53/96/47/570539647.db2.gz XWKCUXNJDHXGFJ-NBVRZTHBSA-N -1 0 384.480 3.240 50 10 GGCARM CCCCCCN1C(=O)[N-]C(=O)C(=CNc2ccc(N(CC)CC)cc2)C1=O ZINC000006782985 570589944 /nfs/dbraw/zinc/58/99/44/570589944.db2.gz ZGIRXGPPFSTNHA-SDXDJHTJSA-N -1 0 386.496 3.487 50 10 GGCARM COCC1=NN(c2ccccc2)C(=O)C1=Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000012372222 570647569 /nfs/dbraw/zinc/64/75/69/570647569.db2.gz BLBJXRFPLLEOLV-UYRXBGFRSA-N -1 0 388.427 3.319 50 10 GGCARM CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(CC)c3C)C(=O)[N-]C2=S)cc1 ZINC000001135533 570756716 /nfs/dbraw/zinc/75/67/16/570756716.db2.gz YFCZLKOFYONFAJ-LDADJPATSA-N -1 0 397.500 3.355 50 10 GGCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)o3)C2=O)c1 ZINC000001180143 570791375 /nfs/dbraw/zinc/79/13/75/570791375.db2.gz DCONBWYOJJZHTO-SFQUDFHCSA-N -1 0 379.416 3.163 50 10 GGCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000005947554 570807870 /nfs/dbraw/zinc/80/78/70/570807870.db2.gz NDHQPJYMZNGNOZ-AQTBWJFISA-N -1 0 396.422 3.251 50 10 GGCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)cc3C)C2=O)cc1C ZINC000004691234 570840001 /nfs/dbraw/zinc/84/00/01/570840001.db2.gz HNBMKDUIHVBREM-LFIBNONCSA-N -1 0 380.469 3.452 50 10 GGCARM CC(C)OC(=O)c1c2c(sc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])CCC2 ZINC000005727299 570904661 /nfs/dbraw/zinc/90/46/61/570904661.db2.gz RJXKFNJSNGFMEK-VXGBXAGGSA-N -1 0 377.462 3.408 50 10 GGCARM COc1ccc(/C=C2/C(C)=NN(c3ccc(C(=O)[O-])cc3)C2=O)cc1[N+](=O)[O-] ZINC000005047018 571046256 /nfs/dbraw/zinc/04/62/56/571046256.db2.gz HSTSHUHKOULBAM-DHDCSXOGSA-N -1 0 381.344 3.108 50 10 GGCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc(F)cc1 ZINC000001177547 1398301915 /nfs/dbraw/zinc/30/19/15/1398301915.db2.gz PHUKAJCUPGNXJY-QGOAFFKASA-N -1 0 391.427 3.448 50 10 GGCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000001201838 1398302233 /nfs/dbraw/zinc/30/22/33/1398302233.db2.gz XQSYBOHEKSCZQD-FOWTUZBSSA-N -1 0 375.340 3.316 50 10 GGCARM O=C([O-])Cc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)cc1 ZINC000004291572 1398389739 /nfs/dbraw/zinc/38/97/39/1398389739.db2.gz OULXFFWYPPVYRW-NXVVXOECSA-N -1 0 396.449 3.042 50 10 GGCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N(C)C)c([N+](=O)[O-])c2)C1=O ZINC000004718295 1398402668 /nfs/dbraw/zinc/40/26/68/1398402668.db2.gz RLTHPEMOSPCABT-GXDHUFHOSA-N -1 0 394.387 3.476 50 10 GGCARM CN1C(=O)[N-]C(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C1=O ZINC000005061526 1398412029 /nfs/dbraw/zinc/41/20/29/1398412029.db2.gz WLJQVVSGBZEBHJ-YBEGLDIGSA-N -1 0 393.830 3.435 50 10 GGCARM COc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2c(C)cc(C)cc2C)C1=O ZINC000005612196 1398458422 /nfs/dbraw/zinc/45/84/22/1398458422.db2.gz LCEFMAMIJIWNCR-PTNGSMBKSA-N -1 0 379.416 3.199 50 10 GGCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc(OC)c1OC ZINC000008994914 1398851704 /nfs/dbraw/zinc/85/17/04/1398851704.db2.gz HWEWRECTQFLKFW-ZROIWOOFSA-N -1 0 382.372 3.219 50 10 GGCARM Cc1[nH]c2ccccc2c1/C=C1\C(=O)[N-]C(=O)N(Cc2ccc(F)cc2)C1=O ZINC000009164632 1398854529 /nfs/dbraw/zinc/85/45/29/1398854529.db2.gz PSYGUCCSVPQWCU-LICLKQGHSA-N -1 0 377.375 3.277 50 10 GGCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3c(c2)CCCN3C)SC1=S ZINC000009422509 1398858247 /nfs/dbraw/zinc/85/82/47/1398858247.db2.gz ROGUVRMFTXAKFO-AAGJOFLKSA-N -1 0 390.530 3.379 50 10 GGCARM CCCCCCNC=C1C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000019595406 1399331911 /nfs/dbraw/zinc/33/19/11/1399331911.db2.gz GYHPYTQSADWPSR-KAMYIIQDSA-N -1 0 394.269 3.086 50 10 GGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1cccc(Br)c1 ZINC000101104012 1410440822 /nfs/dbraw/zinc/44/08/22/1410440822.db2.gz UCUWCWZWEWZPAC-UVTDQMKNSA-N -1 0 386.205 3.028 50 10 GGCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)cc1 ZINC000103113005 1410828594 /nfs/dbraw/zinc/82/85/94/1410828594.db2.gz HFKUTIHKEPLMDP-BOPFTXTBSA-N -1 0 394.456 3.108 50 10 GGCARM CC(C)[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 ZINC000217662208 1433364594 /nfs/dbraw/zinc/36/45/94/1433364594.db2.gz JSFBMSDYISFMTG-JTQLQIEISA-N -1 0 398.367 3.331 50 10 biogenic GGCARM CN1c2ccccc2C(=O)N2CCc3c4ccccc4n(CCC(=O)[O-])c3[C@@H]12 ZINC000216626040 222577380 /nfs/dbraw/zinc/57/73/80/222577380.db2.gz AOMWUVILSDQYLT-NRFANRHFSA-N -1 0 375.428 3.263 50 10 biogenic GGCARM COC(=O)c1ccc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1 ZINC000001870855 212258622 /nfs/dbraw/zinc/25/86/22/212258622.db2.gz QSOMFEQSSASVFM-SDNWHVSQSA-N -1 0 393.486 3.319 50 10 GGCARM COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)ccc1O ZINC000001766416 212256021 /nfs/dbraw/zinc/25/60/21/212256021.db2.gz SSAHQDJWKBSLIB-GXDHUFHOSA-N -1 0 381.475 3.247 50 10 GGCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000001766443 212255649 /nfs/dbraw/zinc/25/56/49/212255649.db2.gz NNTUJRWGQQXXRI-ZROIWOOFSA-N -1 0 379.459 3.262 50 10 GGCARM CCOc1ccc(/C=C2/SC(=S)N(CCCC(=O)[O-])C2=O)cc1OC ZINC000001476222 212248071 /nfs/dbraw/zinc/24/80/71/212248071.db2.gz HEUKWKIXVKRQLE-GXDHUFHOSA-N -1 0 381.475 3.160 50 10 GGCARM COc1cccc(/C=C2\SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)c1OC ZINC000001299260 212234200 /nfs/dbraw/zinc/23/42/00/212234200.db2.gz PJEKOILLZDITLD-FSBNRTBOSA-N -1 0 381.475 3.014 50 10 GGCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(Br)cc1 ZINC000001225784 212230673 /nfs/dbraw/zinc/23/06/73/212230673.db2.gz WEWVGGPAJCNGCQ-GXDHUFHOSA-N -1 0 387.258 3.280 50 10 GGCARM O=C([O-])c1ccccc1NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S ZINC000001212807 212229092 /nfs/dbraw/zinc/22/90/92/212229092.db2.gz MFEGKDRYKXGWAY-GDNBJRDFSA-N -1 0 398.465 3.225 50 10 GGCARM O=C([O-])c1cccc(NC(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)c1 ZINC000001197605 212228865 /nfs/dbraw/zinc/22/88/65/212228865.db2.gz GWKLTKLITCXIIU-DHDCSXOGSA-N -1 0 398.465 3.225 50 10 GGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000001200571 212227839 /nfs/dbraw/zinc/22/78/39/212227839.db2.gz AGPCGWWIACCADW-XNTDXEJSSA-N -1 0 390.317 3.380 50 10 GGCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCC4)o3)C2=O)cc1 ZINC000001186357 212226708 /nfs/dbraw/zinc/22/67/08/212226708.db2.gz OMMNPDSPLXLNKE-NBVRZTHBSA-N -1 0 393.443 3.499 50 10 GGCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 ZINC000001176609 212225747 /nfs/dbraw/zinc/22/57/47/212225747.db2.gz QIEMEJQRIVMKLC-WYMLVPIESA-N -1 0 383.379 3.075 50 10 GGCARM O=C1[N-]C(=O)C(=Cc2cccc(OCc3ccc(Cl)c(Cl)c3)c2)C(=O)N1 ZINC000001171030 212224562 /nfs/dbraw/zinc/22/45/62/212224562.db2.gz FIIFTEWGKQRSLA-UHFFFAOYSA-N -1 0 391.210 3.322 50 10 GGCARM CCOc1ccc(/C=C2\C(=O)[N-]N(c3ccc(Br)cc3)C2=O)cc1 ZINC000001139655 212222393 /nfs/dbraw/zinc/22/23/93/212222393.db2.gz VHEZMCKMOJNXFC-LFIBNONCSA-N -1 0 387.233 3.309 50 10 GGCARM COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)[O-])N2 ZINC000001138865 212222082 /nfs/dbraw/zinc/22/20/82/212222082.db2.gz RYNSFZVUENDLBC-BIENJYKASA-N -1 0 393.395 3.231 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccn1-c1ccc(F)cc1 ZINC000001137724 212221465 /nfs/dbraw/zinc/22/14/65/212221465.db2.gz MSAIIRLTNVCHRX-LDADJPATSA-N -1 0 393.349 3.422 50 10 GGCARM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 ZINC000001092462 212216143 /nfs/dbraw/zinc/21/61/43/212216143.db2.gz BVSMRMCCXHISRD-FOWTUZBSSA-N -1 0 383.379 3.075 50 10 GGCARM O=C1[N-]C(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1cccn1-c1ccccc1 ZINC000001018424 212205780 /nfs/dbraw/zinc/20/57/80/212205780.db2.gz IDJOWPHEXISPKE-QGOAFFKASA-N -1 0 391.427 3.448 50 10 GGCARM COc1cccc(Oc2c(C)oc3c(ccc([O-])c3CN3CCOCC3)c2=O)c1 ZINC000020392245 212152131 /nfs/dbraw/zinc/15/21/31/212152131.db2.gz DEJABHOEIBQAMG-UHFFFAOYSA-N -1 0 397.427 3.440 50 10 biogenic GGCARM COc1ccccc1Oc1coc2c(ccc([O-])c2CN2CCOCC2)c1=O ZINC000020357728 212151802 /nfs/dbraw/zinc/15/18/02/212151802.db2.gz BOJRLSQUJNZUDN-UHFFFAOYSA-N -1 0 383.400 3.132 50 10 GGCARM COc1cccc(Oc2coc3c(ccc([O-])c3CN3CCOCC3)c2=O)c1 ZINC000020412359 212151464 /nfs/dbraw/zinc/15/14/64/212151464.db2.gz VXVYVULZJGLXHY-UHFFFAOYSA-N -1 0 383.400 3.132 50 10 GGCARM O=C([O-])COc1ccc(/C=C2\SC(=S)N(c3cccc(O)c3)C2=O)cc1 ZINC000002204374 220509395 /nfs/dbraw/zinc/50/93/95/220509395.db2.gz ZYUZRBAYVNYFQG-NVNXTCNLSA-N -1 0 387.438 3.261 50 10 GGCARM COc1ccc(OC)c(C=C2SC(Nc3cccc(C(=O)[O-])c3)=NC2=O)c1 ZINC000002433301 220534214 /nfs/dbraw/zinc/53/42/14/220534214.db2.gz HGYQJGSQVKTPKN-MHWRWJLKSA-N -1 0 384.413 3.484 50 10 GGCARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CCC3)c1C ZINC000002755226 220561164 /nfs/dbraw/zinc/56/11/64/220561164.db2.gz MAWJQMUODBWUQK-UHFFFAOYSA-N -1 0 378.519 3.370 50 10 GGCARM O=C([O-])c1cc(N(Cc2ccccc2O)Cc2cc(O)ccc2O)ccc1O ZINC000003873083 220668885 /nfs/dbraw/zinc/66/88/85/220668885.db2.gz ULTTYPMRMMDONC-UHFFFAOYSA-N -1 0 381.384 3.414 50 10 in-vivo GGCARM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3ccsc3)C2=O)c1 ZINC000004704540 220750867 /nfs/dbraw/zinc/75/08/67/220750867.db2.gz DTFHWUCJTYBBBU-ZROIWOOFSA-N -1 0 386.429 3.212 50 10 GGCARM COc1ccc(N2C(=O)/C(=C\c3ccc(SC)cc3)C(=O)[N-]C2=S)cc1 ZINC000004739008 220757617 /nfs/dbraw/zinc/75/76/17/220757617.db2.gz HXYAPAWQVYUKFZ-WJDWOHSUSA-N -1 0 384.482 3.248 50 10 GGCARM CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S ZINC000005235945 220847527 /nfs/dbraw/zinc/84/75/27/220847527.db2.gz WUTPOPGJAZRACM-YFBAIUBQSA-N -1 0 375.475 3.263 50 10 GGCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S ZINC000005351683 220862075 /nfs/dbraw/zinc/86/20/75/220862075.db2.gz VLCRZRLOWXCGKH-HNRFISLBSA-N -1 0 387.438 3.125 50 10 GGCARM CC(C)OC(=O)c1c2c(sc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])CCC2 ZINC000005727307 220893668 /nfs/dbraw/zinc/89/36/68/220893668.db2.gz RJXKFNJSNGFMEK-NWDGAFQWSA-N -1 0 377.462 3.408 50 10 GGCARM COc1ccc2c(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)c[nH]c2c1 ZINC000006660781 220948182 /nfs/dbraw/zinc/94/81/82/220948182.db2.gz VREBIRUTIIJFLS-AUWJEWJLSA-N -1 0 376.459 3.243 50 10 GGCARM COc1ccc(OC)c(N2C(=O)C(=CC=Cc3ccco3)C(=O)[N-]C2=S)c1 ZINC000008739703 221053493 /nfs/dbraw/zinc/05/34/93/221053493.db2.gz DPUKJPCOFBLQDB-LGMZDBLJSA-N -1 0 384.413 3.096 50 10 GGCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCOCC4)o3)C2=O)c1 ZINC000008738915 221053812 /nfs/dbraw/zinc/05/38/12/221053812.db2.gz GUGDCOXGNHWZEP-SFQUDFHCSA-N -1 0 395.415 3.240 50 10 GGCARM COc1cc(C=C2C(=O)[N-]C(=O)N(C)C2=O)ccc1OCc1cccc(F)c1 ZINC000008767308 221056478 /nfs/dbraw/zinc/05/64/78/221056478.db2.gz ICSVYTZXAXAZMW-OQLLNIDSSA-N -1 0 384.363 3.345 50 10 GGCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3nc4ccccc4[nH]3)C2=O)cc1 ZINC000008973401 221066678 /nfs/dbraw/zinc/06/66/78/221066678.db2.gz IZXBMLJGEGOZLQ-KAMYIIQDSA-N -1 0 376.372 3.468 50 10 GGCARM COc1ccc(CN2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])s3)C2=O)cc1 ZINC000008971349 221067328 /nfs/dbraw/zinc/06/73/28/221067328.db2.gz WTRNVEKJBPADMF-MDWZMJQESA-N -1 0 387.373 3.167 50 10 GGCARM CC(=O)c1ccc(-c2ccc(C=C3SC(=S)N(CC(=O)[O-])C3=O)o2)cc1 ZINC000012380169 221186772 /nfs/dbraw/zinc/18/67/72/221186772.db2.gz CUWYDNXVZQVPIL-NVNXTCNLSA-N -1 0 387.438 3.435 50 10 GGCARM CCN1C(=O)/C(=C\c2cc(Br)cc([N+](=O)[O-])c2[O-])SC1=S ZINC000012411874 221189542 /nfs/dbraw/zinc/18/95/42/221189542.db2.gz QKTMUWKTLNSLOT-RUDMXATFSA-N -1 0 389.252 3.284 50 10 GGCARM CCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1OC ZINC000013343737 221265994 /nfs/dbraw/zinc/26/59/94/221265994.db2.gz BFCSGPQXRLTXIU-ZROIWOOFSA-N -1 0 381.475 3.160 50 10 GGCARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2c[nH]c3ccccc23)C1=O ZINC000013550753 221272616 /nfs/dbraw/zinc/27/26/16/221272616.db2.gz XBLQUTHKYYYGDS-RVDMUPIBSA-N -1 0 375.384 3.233 50 10 GGCARM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccsc3)C2=O)ccc1Br ZINC000013570392 221274112 /nfs/dbraw/zinc/27/41/12/221274112.db2.gz IYVVHEZCJCJTAU-KPKJPENVSA-N -1 0 391.246 3.485 50 10 GGCARM CCCCS(CCCC)=C1C(=O)[N-]C(=O)N(Cc2ccc(F)cc2)C1=O ZINC000013777634 221287949 /nfs/dbraw/zinc/28/79/49/221287949.db2.gz RMSFXWBCYKPLTO-UHFFFAOYSA-N -1 0 380.485 3.446 50 10 GGCARM COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)o2)cc1 ZINC000013786149 221289368 /nfs/dbraw/zinc/28/93/68/221289368.db2.gz ZJSWERFBGKFDCO-AQTBWJFISA-N -1 0 388.379 3.195 50 10 GGCARM COc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1O ZINC000013809894 221290364 /nfs/dbraw/zinc/29/03/64/221290364.db2.gz PJYLRQZQSXKTMC-QPEQYQDCSA-N -1 0 386.791 3.029 50 10 GGCARM CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(O)c1 ZINC000013756182 221286942 /nfs/dbraw/zinc/28/69/42/221286942.db2.gz BSQFLQGHVSYUHM-ATVHPVEESA-N -1 0 385.464 3.033 50 10 GGCARM COc1cc(Cl)cc(/C=C2/C(=O)[N-]N(c3ccc(C)c(Cl)c3)C2=O)c1O ZINC000013940897 221293396 /nfs/dbraw/zinc/29/33/96/221293396.db2.gz NDWOERBMFJLPHD-MLPAPPSSSA-N -1 0 393.226 3.477 50 10 GGCARM Cc1ccccc1/C=C1/C(=O)[N-]C(=O)N(c2ccc(Br)cc2)C1=O ZINC000013899412 221293600 /nfs/dbraw/zinc/29/36/00/221293600.db2.gz WEYVNTBNJNCOOO-GDNBJRDFSA-N -1 0 385.217 3.424 50 10 GGCARM O=S(=O)([N-]c1ccc(Br)c(Cl)c1)c1cccc2nonc21 ZINC000013948503 221294150 /nfs/dbraw/zinc/29/41/50/221294150.db2.gz FLTKKOCLAHWNKL-UHFFFAOYSA-N -1 0 388.630 3.440 50 10 GGCARM Cc1cccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000014010808 221295318 /nfs/dbraw/zinc/29/53/18/221295318.db2.gz FOHYAUNVHZJGAW-GDNBJRDFSA-N -1 0 385.217 3.424 50 10 GGCARM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)ccc1OC ZINC000014011082 221295478 /nfs/dbraw/zinc/29/54/78/221295478.db2.gz WTIRMSSTAUJXBI-WJDWOHSUSA-N -1 0 380.400 3.069 50 10 GGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000014011202 221295526 /nfs/dbraw/zinc/29/55/26/221295526.db2.gz CDACBOBBSVCLPC-NTEUORMPSA-N -1 0 386.791 3.024 50 10 GGCARM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C\C=C\c1ccco1 ZINC000014010691 221295544 /nfs/dbraw/zinc/29/55/44/221295544.db2.gz AZQODZUJEULAKB-NTOUICHMSA-N -1 0 387.189 3.265 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(F)cc1 ZINC000014010802 221295795 /nfs/dbraw/zinc/29/57/95/221295795.db2.gz IOYNJDXIKHLEHK-ZROIWOOFSA-N -1 0 389.180 3.255 50 10 GGCARM CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])cc(Br)c2[O-])SC1=S ZINC000015011449 221326149 /nfs/dbraw/zinc/32/61/49/221326149.db2.gz PQYVNEYUADBGFK-RUDMXATFSA-N -1 0 389.252 3.284 50 10 GGCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000015836938 221346425 /nfs/dbraw/zinc/34/64/25/221346425.db2.gz GYAGKDJNJAQWLN-QPEQYQDCSA-N -1 0 392.242 3.493 50 10 GGCARM CCCOc1ccccc1/C=C1/C(=O)[N-]N(c2ccc(C(=O)OCC)cc2)C1=O ZINC000016671974 221367984 /nfs/dbraw/zinc/36/79/84/221367984.db2.gz YMPNHRDQISYVLD-JXAWBTAJSA-N -1 0 394.427 3.114 50 10 GGCARM O=S(=O)([N-]c1ccc(OC(F)F)c(Cl)c1)c1cccc2nonc21 ZINC000017076859 221376981 /nfs/dbraw/zinc/37/69/81/221376981.db2.gz AHLAOTNTQCTPHH-UHFFFAOYSA-N -1 0 375.740 3.278 50 10 GGCARM CCN(CC)c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(O)c1 ZINC000017139140 221379207 /nfs/dbraw/zinc/37/92/07/221379207.db2.gz AEPIAYPXCREJCK-BOPFTXTBSA-N -1 0 397.406 3.248 50 10 GGCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=CNC23CC4CC(CC(C4)C2)C3)C1=O ZINC000006451993 136195114 /nfs/dbraw/zinc/19/51/14/136195114.db2.gz QPCQLMVOQHPHHK-ATVHPVEESA-N -1 0 379.460 3.020 50 10 GGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)c(OC)c3)C2=O)cc1 ZINC000008971908 136195791 /nfs/dbraw/zinc/19/57/91/136195791.db2.gz BHJNSTGXBLWHPT-XNTDXEJSSA-N -1 0 382.372 3.219 50 10 GGCARM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)C1=CNCCC1=CCCCC1 ZINC000100401373 136196076 /nfs/dbraw/zinc/19/60/76/136196076.db2.gz WTOCHYXMICGCRZ-OWBHPGMISA-N -1 0 389.908 3.452 50 10 GGCARM Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)C(=O)[N-]C2=S)c1 ZINC000001197520 136196204 /nfs/dbraw/zinc/19/62/04/136196204.db2.gz VRJWBIZXRZKEOS-XMHGGMMESA-N -1 0 391.496 3.427 50 10 GGCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(N2CCCCC2)o1 ZINC000004472018 136196712 /nfs/dbraw/zinc/19/67/12/136196712.db2.gz OAZCKSGZMNSSLS-VBKFSLOCSA-N -1 0 399.447 3.240 50 10 GGCARM O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1CCN(c2ccccc2)CC1 ZINC000004513704 450602939 /nfs/dbraw/zinc/60/29/39/450602939.db2.gz XXEFPDOGBNHJRK-UHFFFAOYSA-N -1 0 387.288 3.210 50 10 GGCARM NC(=O)c1c([N-]S(=O)(=O)c2ccc(F)cc2)sc2c1CCCCCC2 ZINC000002748891 564189481 /nfs/dbraw/zinc/18/94/81/564189481.db2.gz QNBFFGBLYGJJFN-UHFFFAOYSA-N -1 0 382.482 3.446 50 10 GGCARM CCOC(=O)Cn1c(CCC(=O)[O-])ccc1-c1ccc(Br)cc1 ZINC000003634689 564200194 /nfs/dbraw/zinc/20/01/94/564200194.db2.gz WIIMUJSSYDHVCJ-UHFFFAOYSA-N -1 0 380.238 3.498 50 10 GGCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)o3)C2=O)c1 ZINC000004704725 564206241 /nfs/dbraw/zinc/20/62/41/564206241.db2.gz DJBYTVBTKLVMRA-MDWZMJQESA-N -1 0 389.205 3.325 50 10 GGCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(Br)o1 ZINC000006258654 564222353 /nfs/dbraw/zinc/22/23/53/564222353.db2.gz MYEGASLIUCPBEO-CLFYSBASSA-N -1 0 395.209 3.013 50 10 GGCARM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c1OC(C)C ZINC000001154572 570249927 /nfs/dbraw/zinc/24/99/27/570249927.db2.gz GWBYVACBTGYQQH-LFIBNONCSA-N -1 0 398.390 3.288 50 10 GGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)c(OC)c1OC ZINC000001163448 570252423 /nfs/dbraw/zinc/25/24/23/570252423.db2.gz OUEIQIHCPJZYLW-RVDMUPIBSA-N -1 0 396.399 3.215 50 10 GGCARM CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccc(S(N)(=O)=O)cc1 ZINC000100423346 570272031 /nfs/dbraw/zinc/27/20/31/570272031.db2.gz IYPYPGLLTLFIOS-RGEXLXHISA-N -1 0 398.488 3.223 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNC12CC3CC(CC(C3)C1)C2 ZINC000020792529 570280722 /nfs/dbraw/zinc/28/07/22/570280722.db2.gz YQVIMVHDFYMXSP-GZTJUZNOSA-N -1 0 399.878 3.365 50 10 GGCARM COc1ccc2ccc(OC)c(/C=C3/SC(=S)N(CC(=O)[O-])C3=O)c2c1 ZINC000002828944 570305420 /nfs/dbraw/zinc/30/54/20/570305420.db2.gz MIRLJHXQKKKQCO-OVCLIPMQSA-N -1 0 389.454 3.143 50 10 GGCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000022107409 570306099 /nfs/dbraw/zinc/30/60/99/570306099.db2.gz STJIKKDOUZQHKF-DHDCSXOGSA-N -1 0 386.791 3.024 50 10 GGCARM Cc1ccc2[nH]c(=NC=C3C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)sc2c1 ZINC000004838025 570311926 /nfs/dbraw/zinc/31/19/26/570311926.db2.gz JJKCIGHVILEZHD-UVTDQMKNSA-N -1 0 392.440 3.492 50 10 GGCARM Cc1ccc(OCCOc2cccc(C=C3C(=O)[N-]C(=O)NC3=O)c2)c(C)c1 ZINC000002978332 570321503 /nfs/dbraw/zinc/32/15/03/570321503.db2.gz FEPIIASJWAXRBK-UHFFFAOYSA-N -1 0 380.400 3.351 50 10 GGCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C\c1cccn1-c1ccccc1 ZINC000002981846 570322107 /nfs/dbraw/zinc/32/21/07/570322107.db2.gz DBWCHSFRDLTFQJ-SSZFMOIBSA-N -1 0 375.359 3.283 50 10 GGCARM COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000004614207 570387630 /nfs/dbraw/zinc/38/76/30/570387630.db2.gz ITTIIEUOMHMQAO-RYUDHWBXSA-N -1 0 377.462 3.409 50 10 GGCARM CCC(=O)N[C@H](c1ccc(OC)cc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004684864 570392868 /nfs/dbraw/zinc/39/28/68/570392868.db2.gz GCDIZYCSTSTQDB-GOSISDBHSA-N -1 0 381.388 3.473 50 10 GGCARM CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCCC3)o2)C1=O ZINC000004704544 570395842 /nfs/dbraw/zinc/39/58/42/570395842.db2.gz JKLLIAGXTHPDKP-VKAVYKQESA-N -1 0 393.443 3.499 50 10 GGCARM CCc1ccccc1N1C(=O)/C(=C\c2ccc(N3CCCC3)o2)C(=O)[N-]C1=S ZINC000004739013 570400164 /nfs/dbraw/zinc/40/01/64/570400164.db2.gz ZQFKFRPGXMFQOJ-SSZFMOIBSA-N -1 0 395.484 3.274 50 10 GGCARM Cc1ccc(N2C(=O)/C(=C\c3ccc(O)c(Cl)c3)C(=O)[N-]C2=S)c(C)c1 ZINC000004742327 570401290 /nfs/dbraw/zinc/40/12/90/570401290.db2.gz XKQDOIQDCINBHT-JYRVWZFOSA-N -1 0 386.860 3.494 50 10 GGCARM Cc1cc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccccc1 ZINC000005848346 570459347 /nfs/dbraw/zinc/45/93/47/570459347.db2.gz HAPYROIOHCIAAV-XDHOZWIPSA-N -1 0 389.411 3.349 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=CNc1cc(Cl)ccc1O ZINC000005569762 570646122 /nfs/dbraw/zinc/64/61/22/570646122.db2.gz FFLBCQUJELFQLM-WQLSENKSSA-N -1 0 392.198 3.278 50 10 GGCARM CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCC2 ZINC000005796939 570691579 /nfs/dbraw/zinc/69/15/79/570691579.db2.gz BBKAPCZYSBOVHW-NWDGAFQWSA-N -1 0 377.462 3.409 50 10 GGCARM O=C1[N-]C(=O)C(=Cc2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)N1 ZINC000005034224 570730923 /nfs/dbraw/zinc/73/09/23/570730923.db2.gz YPNYBIXYHUMMPM-UHFFFAOYSA-N -1 0 391.210 3.322 50 10 GGCARM CCCOC(=O)c1c2c(sc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])CCC2 ZINC000005952066 570808158 /nfs/dbraw/zinc/80/81/58/570808158.db2.gz FMJRZWGAYXQTCU-RYUDHWBXSA-N -1 0 377.462 3.409 50 10 GGCARM Cc1ccc(N2C(=O)C(=CN[C@H](C)c3ccccc3)C(=O)[N-]C2=S)cc1C ZINC000005691065 570812710 /nfs/dbraw/zinc/81/27/10/570812710.db2.gz FKCVYLTWMXLAMJ-GYZOOYGHSA-N -1 0 379.485 3.286 50 10 GGCARM CC(=O)NC1=NC(=O)/C(=C\c2ccccc2OCc2ccc(C(=O)[O-])cc2)S1 ZINC000004498542 570814122 /nfs/dbraw/zinc/81/41/22/570814122.db2.gz LLBOKFTWEFREEE-LICLKQGHSA-N -1 0 396.424 3.070 50 10 GGCARM COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1 ZINC000004696421 570841254 /nfs/dbraw/zinc/84/12/54/570841254.db2.gz BVKIZBQXAPKJRS-RGEXLXHISA-N -1 0 391.423 3.300 50 10 GGCARM O=C([O-])[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccccc3F)coc21 ZINC000004025927 570903985 /nfs/dbraw/zinc/90/39/85/570903985.db2.gz YTALDJDWADFXGM-OAHLLOKOSA-N -1 0 399.374 3.479 50 10 biogenic GGCARM O=C([O-])c1ccc(Cn2cc(/C=C3/SC(=S)NC3=O)c3ccccc32)o1 ZINC000004738607 570953271 /nfs/dbraw/zinc/95/32/71/570953271.db2.gz ULVXROFTXRJOPQ-VIZOYTHASA-N -1 0 384.438 3.470 50 10 GGCARM O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 ZINC000004740074 570954003 /nfs/dbraw/zinc/95/40/03/570954003.db2.gz CRZYTPGTAJMSCK-GZTJUZNOSA-N -1 0 392.802 3.192 50 10 GGCARM CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCN(C)CC2)c1[O-] ZINC000019372078 570981148 /nfs/dbraw/zinc/98/11/48/570981148.db2.gz DHZAKJAZBCPAAD-UHFFFAOYSA-N -1 0 399.516 3.240 50 10 GGCARM COc1cc([N+](=O)[O-])cc(CN2CCN(C/C=C/c3ccccc3)CC2)c1[O-] ZINC000019609021 571021473 /nfs/dbraw/zinc/02/14/73/571021473.db2.gz CUEGQWAOTPNYSS-VMPITWQZSA-N -1 0 383.448 3.140 50 10 GGCARM O=C1[N-]C(=O)N(CCC2=CCCCC2)C(=O)/C1=C/c1cnn(-c2ccccc2)c1 ZINC000001180719 1398301622 /nfs/dbraw/zinc/30/16/22/1398301622.db2.gz YBZYETJOFWFXEI-CPNJWEJPSA-N -1 0 390.443 3.225 50 10 GGCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000002586851 1398312720 /nfs/dbraw/zinc/31/27/20/1398312720.db2.gz BNNUFBYKHRMADK-RGEXLXHISA-N -1 0 392.459 3.107 50 10 GGCARM O=C1[N-]C(=O)C(=Cc2ccc(OCc3c(Cl)cccc3Cl)cc2)C(=O)N1 ZINC000002775450 1398318622 /nfs/dbraw/zinc/31/86/22/1398318622.db2.gz KUIUIZYUTDTKSS-UHFFFAOYSA-N -1 0 391.210 3.322 50 10 GGCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=CNc1ccc(Cl)cc1 ZINC000002892857 1398321157 /nfs/dbraw/zinc/32/11/57/1398321157.db2.gz FIURNIBABWUVNT-ZROIWOOFSA-N -1 0 375.812 3.223 50 10 GGCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc([N+](=O)[O-])s1 ZINC000002967825 1398323789 /nfs/dbraw/zinc/32/37/89/1398323789.db2.gz FYHCSJAPGVFZEF-YRNVUSSQSA-N -1 0 377.378 3.467 50 10 GGCARM CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N(C)C ZINC000005034445 1398410435 /nfs/dbraw/zinc/41/04/35/1398410435.db2.gz PIEPGARZXKIQPQ-BOPFTXTBSA-N -1 0 394.387 3.165 50 10 GGCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)ccc1O ZINC000009044996 1398852460 /nfs/dbraw/zinc/85/24/60/1398852460.db2.gz SEAUZAWDGJPPBL-OQLLNIDSSA-N -1 0 384.363 3.432 50 10 GGCARM COc1cc(/C=C2/C(=O)[N-]N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1O ZINC000015658647 1399183158 /nfs/dbraw/zinc/18/31/58/1399183158.db2.gz UKFZFMZFPMZAMZ-SDQBBNPISA-N -1 0 379.199 3.169 50 10 GGCARM CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000015659294 1399183227 /nfs/dbraw/zinc/18/32/27/1399183227.db2.gz TYSRUIWDQVTNFS-UYRXBGFRSA-N -1 0 395.434 3.334 50 10 GGCARM COc1ccc(CN2C(=O)[N-]C(=O)C(=Cc3cccc(OC)c3OC)C2=O)cc1 ZINC000001197278 203894858 /nfs/dbraw/zinc/89/48/58/203894858.db2.gz FGIXSKBGOLDUBD-LFIBNONCSA-N -1 0 396.399 3.215 50 10 GGCARM O=C([O-])CN1C(=O)/C(=C\c2cccc(OC(=O)c3ccccc3)c2)SC1=S ZINC000001203244 203896652 /nfs/dbraw/zinc/89/66/52/203896652.db2.gz BDICNRSWMJGSIT-XNTDXEJSSA-N -1 0 399.449 3.192 50 10 GGCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(OC)cc2OC)SC1=S ZINC000002442769 203944801 /nfs/dbraw/zinc/94/48/01/203944801.db2.gz JIRMTWCWZCAASZ-UGMNDJHYSA-N -1 0 381.475 3.158 50 10 GGCARM O=C([O-])c1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)cc1 ZINC000001225519 203898390 /nfs/dbraw/zinc/89/83/90/203898390.db2.gz KJSPLWPBLSZNDF-YPKPFQOOSA-N -1 0 382.422 3.113 50 10 GGCARM COc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)cc1OC ZINC000001227051 203898982 /nfs/dbraw/zinc/89/89/82/203898982.db2.gz YDVPRMBLLFDXSB-YLHGKKIISA-N -1 0 381.475 3.014 50 10 GGCARM COc1ccccc1[N-]S(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000004134569 204029241 /nfs/dbraw/zinc/02/92/41/204029241.db2.gz CZSIBYJYRZOYMB-UHFFFAOYSA-N -1 0 393.420 3.271 50 10 GGCARM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000004704477 204067147 /nfs/dbraw/zinc/06/71/47/204067147.db2.gz SEFNXQDXCCIXNT-BOPFTXTBSA-N -1 0 379.372 3.385 50 10 GGCARM CC(C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000004704479 204067157 /nfs/dbraw/zinc/06/71/57/204067157.db2.gz MXHKESORFVJCAL-SXGWCWSVSA-N -1 0 378.384 3.205 50 10 GGCARM COc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3cc(C)cc(C)c3)C2=O)cc1C ZINC000004724064 204069037 /nfs/dbraw/zinc/06/90/37/204069037.db2.gz ZTWSZTHDCJDXFX-GZTJUZNOSA-N -1 0 380.469 3.452 50 10 GGCARM Cc1ccc(S(=O)(=O)Nc2cc(Sc3nc[nH]n3)c([O-])cc2C)cc1 ZINC000004735783 204070891 /nfs/dbraw/zinc/07/08/91/204070891.db2.gz WZSVCCYTGFQDHD-UHFFFAOYSA-N -1 0 376.463 3.079 50 10 GGCARM Cc1ccccc1N1C(=O)/C(=C\c2ccc(N3CCCC3)o2)C(=O)[N-]C1=S ZINC000004739022 204071242 /nfs/dbraw/zinc/07/12/42/204071242.db2.gz VUTWXHUMRWIQTB-QINSGFPZSA-N -1 0 381.457 3.020 50 10 GGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC ZINC000004823291 204079495 /nfs/dbraw/zinc/07/94/95/204079495.db2.gz LGCKFUTYWSYKNB-OQLLNIDSSA-N -1 0 384.363 3.345 50 10 GGCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1 ZINC000004834491 204081222 /nfs/dbraw/zinc/08/12/22/204081222.db2.gz YXIFHXSSASDIOC-SSZFMOIBSA-N -1 0 396.422 3.251 50 10 GGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cnc(-c4ccccc4)nc3)C2=O)cc1C ZINC000004873324 204084613 /nfs/dbraw/zinc/08/46/13/204084613.db2.gz FKZSVBGNJWUOCD-ODLFYWEKSA-N -1 0 398.422 3.427 50 10 GGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3Cl)OCO4)C2=O)c1 ZINC000004471221 204046027 /nfs/dbraw/zinc/04/60/27/204046027.db2.gz FHZTVUXBIHOFJK-MLPAPPSSSA-N -1 0 384.775 3.044 50 10 GGCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(N2CCCC2)cc1 ZINC000004514350 204049611 /nfs/dbraw/zinc/04/96/11/204049611.db2.gz UFDHMUBFIDMWSN-SSZFMOIBSA-N -1 0 395.459 3.257 50 10 GGCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)o1 ZINC000004513214 204049757 /nfs/dbraw/zinc/04/97/57/204049757.db2.gz PWTBGTQSXRGBJX-ACCUITESSA-N -1 0 387.436 3.096 50 10 GGCARM O=C1[N-]N(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000004680161 204063054 /nfs/dbraw/zinc/06/30/54/204063054.db2.gz HDVCNXOYTIKUJR-WJDWOHSUSA-N -1 0 393.330 3.455 50 10 GGCARM C[C@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O ZINC000005033136 204104604 /nfs/dbraw/zinc/10/46/04/204104604.db2.gz JKMLZLNDIURPFE-MKVLZVNKSA-N -1 0 375.471 3.460 50 10 GGCARM C[C@@H]1Oc2ccccc2C=C1/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O ZINC000005033140 204104755 /nfs/dbraw/zinc/10/47/55/204104755.db2.gz JKMLZLNDIURPFE-SAIXKJTDSA-N -1 0 375.471 3.460 50 10 GGCARM CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc([N+](=O)[O-])o3)C2=O)cc1 ZINC000005032695 204105116 /nfs/dbraw/zinc/10/51/16/204105116.db2.gz FNBYOHSAUKMXLT-MKVLZVNKSA-N -1 0 383.360 3.368 50 10 GGCARM CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCC2 ZINC000005796938 204150994 /nfs/dbraw/zinc/15/09/94/204150994.db2.gz BBKAPCZYSBOVHW-RYUDHWBXSA-N -1 0 377.462 3.409 50 10 GGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1cccc(Br)c1 ZINC000005650179 204144470 /nfs/dbraw/zinc/14/44/70/204144470.db2.gz UCUWCWZWEWZPAC-GXDHUFHOSA-N -1 0 386.205 3.028 50 10 GGCARM CCOc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000005644942 204144879 /nfs/dbraw/zinc/14/48/79/204144879.db2.gz JELJFQMYTQPNNZ-PDGQHHTCSA-N -1 0 379.416 3.281 50 10 GGCARM Cc1ccc(C)c(S(=O)(=O)Nc2ccc([O-])c(Sc3nc[nH]n3)c2)c1 ZINC000006269491 204173159 /nfs/dbraw/zinc/17/31/59/204173159.db2.gz ZKNMJBZSLDLYAV-UHFFFAOYSA-N -1 0 376.463 3.079 50 10 GGCARM COc1c(Cl)cc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1Cl ZINC000006453520 204178531 /nfs/dbraw/zinc/17/85/31/204178531.db2.gz KLUPZWQUNJPPIL-RUDMXATFSA-N -1 0 378.258 3.288 50 10 GGCARM O=C1[N-]C(=O)C(=Cc2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)N1 ZINC000008741350 204287737 /nfs/dbraw/zinc/28/77/37/204287737.db2.gz SONZVBKGUWXMBU-UHFFFAOYSA-N -1 0 381.819 3.492 50 10 GGCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(O)c(Cl)c1 ZINC000008768440 204289551 /nfs/dbraw/zinc/28/95/51/204289551.db2.gz VAMWTLAHBKAGEC-YFHOEESVSA-N -1 0 376.796 3.427 50 10 GGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc4c(c3)CCC4)C2=O)cc1C ZINC000009242568 204304388 /nfs/dbraw/zinc/30/43/88/204304388.db2.gz UVZSSSNOGAAAAQ-UNOMPAQXSA-N -1 0 375.428 3.371 50 10 GGCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(N2CCCC2)o1 ZINC000009164681 204300652 /nfs/dbraw/zinc/30/06/52/204300652.db2.gz PIDPOJBPHCZFAY-QBFSEMIESA-N -1 0 385.420 3.262 50 10 GGCARM O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1c([O-])ccc2c3ccccc3c(=O)oc21 ZINC000011865495 204357593 /nfs/dbraw/zinc/35/75/93/204357593.db2.gz WSAMWULVMMTURK-LJQANCHMSA-N -1 0 389.407 3.437 50 10 GGCARM COc1ccc(C=C2SC(Nc3cccc(C(=O)[O-])c3)=NC2=O)c(OC)c1 ZINC000020110031 204701783 /nfs/dbraw/zinc/70/17/83/204701783.db2.gz JIRNLHZKPHYIHH-CXUHLZMHSA-N -1 0 384.413 3.484 50 10 GGCARM COC(=O)CSc1sc(C(=O)OC)c([O-])c1NC(=O)c1ccc(C)cc1 ZINC000041155007 205078630 /nfs/dbraw/zinc/07/86/30/205078630.db2.gz NPUTZSIYGDMKFO-UHFFFAOYSA-N -1 0 395.458 3.066 50 10 GGCARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cc(C)ccc3O)C2)cc1 ZINC000080316272 205384056 /nfs/dbraw/zinc/38/40/56/205384056.db2.gz AZIYWGHSWJVSSZ-SFHVURJKSA-N -1 0 382.416 3.252 50 10 GGCARM O=C([O-])COc1ccccc1/C=C1/SC(=S)N(Cc2ccco2)C1=O ZINC000003202864 205724344 /nfs/dbraw/zinc/72/43/44/205724344.db2.gz DIYOVELCTSCSDM-RIYZIHGNSA-N -1 0 375.427 3.144 50 10 GGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccccc1Br ZINC000100639813 136189118 /nfs/dbraw/zinc/18/91/18/136189118.db2.gz YWJKLPWCFDWIBC-BENRWUELSA-N -1 0 386.205 3.028 50 10 GGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1[N+](=O)[O-] ZINC000000845443 136193109 /nfs/dbraw/zinc/19/31/09/136193109.db2.gz PIAMPNJGEXRXAN-NTEUORMPSA-N -1 0 381.344 3.419 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccn1Cc1ccccc1 ZINC000002229548 136193377 /nfs/dbraw/zinc/19/33/77/136193377.db2.gz LTHGIGVFSPZYCZ-UYRXBGFRSA-N -1 0 389.386 3.342 50 10 GGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNN1CCCC[C@@H]1c1cccnc1 ZINC000008995914 136195900 /nfs/dbraw/zinc/19/59/00/136195900.db2.gz NDDMIHNQRKCUAR-UWXVCKHVSA-N -1 0 391.431 3.120 50 10 GGCARM Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)o2)C(=O)[N-]C1=S ZINC000001092508 136196198 /nfs/dbraw/zinc/19/61/98/136196198.db2.gz VUTWXHUMRWIQTB-NTCAYCPXSA-N -1 0 381.457 3.020 50 10 GGCARM O=C1[N-]C(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)C1=Cc1ccc(O)c(Cl)c1 ZINC000001174920 136196265 /nfs/dbraw/zinc/19/62/65/136196265.db2.gz AVLKBAWCWSHDLM-WUXMJOGZSA-N -1 0 387.735 3.461 50 10 GGCARM CN(C)c1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000000766526 522132623 /nfs/dbraw/zinc/13/26/23/522132623.db2.gz QFMGCLFBXWWNAC-LFIBNONCSA-N -1 0 385.876 3.237 50 10 GGCARM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Cl)c3)C2=O)ccc1O ZINC000001175775 535659296 /nfs/dbraw/zinc/65/92/96/535659296.db2.gz YQCTXAYFNHEEQR-RIYZIHGNSA-N -1 0 386.791 3.111 50 10 GGCARM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccs1 ZINC000000977475 564182592 /nfs/dbraw/zinc/18/25/92/564182592.db2.gz QKOHEHRYBROKDJ-XYOKQWHBSA-N -1 0 393.287 3.342 50 10 GGCARM Cc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)c1 ZINC000001186760 564184342 /nfs/dbraw/zinc/18/43/42/564184342.db2.gz FOHYAUNVHZJGAW-XNTDXEJSSA-N -1 0 385.217 3.424 50 10 GGCARM Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)cc1 ZINC000001203466 564184736 /nfs/dbraw/zinc/18/47/36/564184736.db2.gz FSONFLYBAIZUEG-OQLLNIDSSA-N -1 0 385.217 3.424 50 10 GGCARM COc1cc(/C=C2\SC(=S)N([C@H](C)C(=O)[O-])C2=O)ccc1OC(C)C ZINC000001281954 564184819 /nfs/dbraw/zinc/18/48/19/564184819.db2.gz GOBUWNHWWXAYBO-DOQDJBIESA-N -1 0 381.475 3.157 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 ZINC000001173915 564184975 /nfs/dbraw/zinc/18/49/75/564184975.db2.gz KVGVUMWPHGIOFR-KPKJPENVSA-N -1 0 377.183 3.365 50 10 GGCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)SC1=S ZINC000001766441 564186317 /nfs/dbraw/zinc/18/63/17/564186317.db2.gz NNTUJRWGQQXXRI-NTEUORMPSA-N -1 0 379.459 3.262 50 10 GGCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S ZINC000001907766 564186505 /nfs/dbraw/zinc/18/65/05/564186505.db2.gz REUHKSYQHSLMLQ-RAXLEYEMSA-N -1 0 380.447 3.441 50 10 GGCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S ZINC000009484590 564252707 /nfs/dbraw/zinc/25/27/07/564252707.db2.gz ZQNVGQATEPSXGF-NHXNDTTKSA-N -1 0 375.471 3.316 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\C=C\c1ccco1 ZINC000013546766 564277413 /nfs/dbraw/zinc/27/74/13/564277413.db2.gz XHISZIPNECQNEU-NQDFZQDQSA-N -1 0 387.189 3.265 50 10 GGCARM CCOc1cc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)ccc1O ZINC000013576653 564277496 /nfs/dbraw/zinc/27/74/96/564277496.db2.gz IWXBLKQFHOBYGK-YLHGKKIISA-N -1 0 381.475 3.101 50 10 GGCARM Cc1ccsc1/C=C1/C(=O)[N-]C(=O)N(c2cccc(Br)c2)C1=O ZINC000014011362 564278293 /nfs/dbraw/zinc/27/82/93/564278293.db2.gz ACEDKMXFMBXAMJ-WQLSENKSSA-N -1 0 391.246 3.485 50 10 GGCARM CCOc1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1OC ZINC000013750442 564278570 /nfs/dbraw/zinc/27/85/70/564278570.db2.gz HEUKWKIXVKRQLE-UVTDQMKNSA-N -1 0 381.475 3.160 50 10 GGCARM O=C([O-])CCCN1C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC1=S ZINC000015357261 564286400 /nfs/dbraw/zinc/28/64/00/564286400.db2.gz WJXGNLIZOPKOAN-HUHFURAHSA-N -1 0 378.431 3.217 50 10 GGCARM CCCOc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)[O-])C2=O)cc1OC ZINC000016819006 564297219 /nfs/dbraw/zinc/29/72/19/564297219.db2.gz IMMXXAJMDOWWQQ-ADVUTCEVSA-N -1 0 381.475 3.158 50 10 GGCARM O=C([O-])CCN1C(=O)/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000018066740 564300321 /nfs/dbraw/zinc/30/03/21/564300321.db2.gz OAFMWKMIUAMPHN-NQXFEYKRSA-N -1 0 398.849 3.393 50 10 GGCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 ZINC000000631902 570212081 /nfs/dbraw/zinc/21/20/81/570212081.db2.gz VKXNJUNDMSBRMN-WYMLVPIESA-N -1 0 399.447 3.240 50 10 GGCARM Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)o3)C(=O)[N-]C2=S)cc1 ZINC000000631906 570212242 /nfs/dbraw/zinc/21/22/42/570212242.db2.gz XOPYHFMYLWWJNA-FOWTUZBSSA-N -1 0 381.457 3.020 50 10 GGCARM CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCOCC2)c1[O-] ZINC000020150173 570244662 /nfs/dbraw/zinc/24/46/62/570244662.db2.gz VPGSQFDAFSXFSV-UHFFFAOYSA-N -1 0 386.473 3.325 50 10 GGCARM CN(C)c1ccc(/C=C/C=C2\C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000001154513 570249612 /nfs/dbraw/zinc/24/96/12/570249612.db2.gz IMVJXIIEQDKALQ-FKKWJZCKSA-N -1 0 379.391 3.114 50 10 GGCARM COc1ccccc1Oc1coc2c(ccc([O-])c2CN2CCN(C)CC2)c1=O ZINC000020391542 570253721 /nfs/dbraw/zinc/25/37/21/570253721.db2.gz HYCKJPSLSJCOSJ-UHFFFAOYSA-N -1 0 396.443 3.047 50 10 GGCARM COc1cccc(Oc2coc3c(ccc([O-])c3CN3CCN(C)CC3)c2=O)c1 ZINC000020412399 570254660 /nfs/dbraw/zinc/25/46/60/570254660.db2.gz PVNYUXFPDKKXKO-UHFFFAOYSA-N -1 0 396.443 3.047 50 10 GGCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1O ZINC000001192744 570256826 /nfs/dbraw/zinc/25/68/26/570256826.db2.gz VGHHHABWGWVWBW-RIYZIHGNSA-N -1 0 382.372 3.225 50 10 GGCARM COc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)ccc1O ZINC000001202697 570257582 /nfs/dbraw/zinc/25/75/82/570257582.db2.gz QHCIKJAMPDABNF-MHWRWJLKSA-N -1 0 396.468 3.356 50 10 GGCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(OC)cc3C)C2=O)cc1 ZINC000001203882 570257650 /nfs/dbraw/zinc/25/76/50/570257650.db2.gz MVBKTWLLGANZLF-LDADJPATSA-N -1 0 380.400 3.069 50 10 GGCARM COc1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc(Cl)c1O ZINC000001201615 570257773 /nfs/dbraw/zinc/25/77/73/570257773.db2.gz BVCDXADJXAKQMM-NTUHNPAUSA-N -1 0 386.791 3.029 50 10 GGCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(OC(=O)c3ccccc3)cc2)SC1=S ZINC000001209265 570258214 /nfs/dbraw/zinc/25/82/14/570258214.db2.gz VGYRCJIINVDOPR-XNTDXEJSSA-N -1 0 399.449 3.192 50 10 GGCARM COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccccc2F)C1=O ZINC000001407300 570262142 /nfs/dbraw/zinc/26/21/42/570262142.db2.gz AAOOLOGAEUHLHP-FMIVXFBMSA-N -1 0 390.823 3.319 50 10 GGCARM O=C1CC(N2C(=O)C(=Cc3ccccc3)SC2=S)=C([O-])N1c1ccccc1 ZINC000020567035 570268289 /nfs/dbraw/zinc/26/82/89/570268289.db2.gz FQYOCVMAORQVJO-DFSFMLJYSA-N -1 0 394.477 3.220 50 10 GGCARM COc1ccc(-c2coc3c(ccc([O-])c3CN3CCOCC3)c2=O)cc1OC ZINC000020567496 570268333 /nfs/dbraw/zinc/26/83/33/570268333.db2.gz ZYODMTCDYQXAMM-UHFFFAOYSA-N -1 0 397.427 3.015 50 10 biogenic GGCARM COc1cccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c1OC ZINC000002590167 570291957 /nfs/dbraw/zinc/29/19/57/570291957.db2.gz NBALWMUGKOWPQR-BENRWUELSA-N -1 0 386.404 3.086 50 10 GGCARM CCC(=O)N[C@@H](c1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004684859 570392828 /nfs/dbraw/zinc/39/28/28/570392828.db2.gz LGLBDNWWHTYSRM-SFHVURJKSA-N -1 0 395.371 3.193 50 10 GGCARM CCCCCCN1C(=O)[N-]C(=O)C(=CNc2ccc(N(CC)CC)cc2)C1=O ZINC000100794276 570448070 /nfs/dbraw/zinc/44/80/70/570448070.db2.gz ZGIRXGPPFSTNHA-OBGWFSINSA-N -1 0 386.496 3.487 50 10 GGCARM COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CCCC(=O)[O-])c1O ZINC000005043650 570498580 /nfs/dbraw/zinc/49/85/80/570498580.db2.gz OWCYILXEZLGGGK-CQSZACIVSA-N -1 0 388.445 3.395 50 10 GGCARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccccc3O)C2)cc1 ZINC000005043657 570498601 /nfs/dbraw/zinc/49/86/01/570498601.db2.gz JTHYOSLTFHOPMQ-GOSISDBHSA-N -1 0 382.416 3.333 50 10 GGCARM COC(=O)c1c2c(sc1NC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)[O-])CCC2 ZINC000002801617 570516826 /nfs/dbraw/zinc/51/68/26/570516826.db2.gz KAUAXXYGEUBGJP-CHWSQXEVSA-N -1 0 377.462 3.409 50 10 GGCARM O=C1[N-]C(=O)C(=Cc2cccc(OCc3ccc(Cl)cc3Cl)c2)C(=O)N1 ZINC000002898246 570521378 /nfs/dbraw/zinc/52/13/78/570521378.db2.gz GRXKFOZXBNXDHZ-UHFFFAOYSA-N -1 0 391.210 3.322 50 10 GGCARM CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3C)C2=O)o1 ZINC000012411797 570656111 /nfs/dbraw/zinc/65/61/11/570656111.db2.gz PKIJMDJTEDEVDO-VBKFSLOCSA-N -1 0 381.432 3.409 50 10 GGCARM Cc1cccc(Cn2cccc2/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c1 ZINC000013688817 570668514 /nfs/dbraw/zinc/66/85/14/570668514.db2.gz IEBVSBAHUNWETM-UNOMPAQXSA-N -1 0 389.411 3.100 50 10 GGCARM CCCCS(CCCC)=C1C(=O)[N-]C(=O)N(CCc2ccc(F)cc2)C1=O ZINC000013773563 570677656 /nfs/dbraw/zinc/67/76/56/570677656.db2.gz CUZWJYOXRGMVCW-UHFFFAOYSA-N -1 0 394.512 3.488 50 10 GGCARM O=C(Oc1cccc(/C=C2/C(=O)[N-]N(c3ccccc3)C2=O)c1)c1cccs1 ZINC000012730051 570706639 /nfs/dbraw/zinc/70/66/39/570706639.db2.gz ANOYFQPLVKLBHM-LGMDPLHJSA-N -1 0 390.420 3.429 50 10 GGCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000001200351 570713728 /nfs/dbraw/zinc/71/37/28/570713728.db2.gz JNIFYJWTQMMRAB-SFQUDFHCSA-N -1 0 375.340 3.316 50 10 GGCARM COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)c1 ZINC000001155777 570758120 /nfs/dbraw/zinc/75/81/20/570758120.db2.gz OUOLMNSJHNTLKQ-LFIBNONCSA-N -1 0 395.415 3.277 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccn1-c1ccccc1 ZINC000001153291 570759014 /nfs/dbraw/zinc/75/90/14/570759014.db2.gz OSDYHJNNFQCTMZ-QGOAFFKASA-N -1 0 375.359 3.283 50 10 GGCARM O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccccc3Cl)c(Cl)c2)C(=O)N1 ZINC000001178485 570790412 /nfs/dbraw/zinc/79/04/12/570790412.db2.gz XGUFBBYDPMIKIX-UHFFFAOYSA-N -1 0 391.210 3.322 50 10 GGCARM Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)o3)C(=O)[N-]C2=S)c1 ZINC000001185974 570792082 /nfs/dbraw/zinc/79/20/82/570792082.db2.gz IYHZRUBQIOAXJQ-FOWTUZBSSA-N -1 0 381.457 3.020 50 10 GGCARM CN1C(=O)[N-]C(=O)/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C1=O ZINC000001201037 570794063 /nfs/dbraw/zinc/79/40/63/570794063.db2.gz WLJQVVSGBZEBHJ-MHWRWJLKSA-N -1 0 393.830 3.435 50 10 GGCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)c(O)c1 ZINC000001214770 570809077 /nfs/dbraw/zinc/80/90/77/570809077.db2.gz FGJAERYYCQEYET-LICLKQGHSA-N -1 0 385.851 3.353 50 10 GGCARM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c(OCC)c1 ZINC000014010718 570814360 /nfs/dbraw/zinc/81/43/60/570814360.db2.gz YCFFIJSVLVBKCB-LDADJPATSA-N -1 0 394.427 3.459 50 10 GGCARM O=C([O-])[C@H]1CCC[N@@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccccc3)coc21 ZINC000004025600 570904025 /nfs/dbraw/zinc/90/40/25/570904025.db2.gz CUDSZBUCKSGWDD-MRXNPFEDSA-N -1 0 381.384 3.340 50 10 biogenic GGCARM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccc(F)cc3)C2=O)cc(Cl)c1O ZINC000016156242 570915358 /nfs/dbraw/zinc/91/53/58/570915358.db2.gz GFNICCOJYANDNN-QPEQYQDCSA-N -1 0 376.771 3.045 50 10 GGCARM O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)C1=CNc1ccccc1Cl ZINC000016662491 570930350 /nfs/dbraw/zinc/93/03/50/570930350.db2.gz PQRADICNUFJYMI-SDNWHVSQSA-N -1 0 387.798 3.096 50 10 GGCARM CCOC(=O)c1c2c(sc1NC(=O)[C@@H]1C3CCC(CC3)[C@@H]1C(=O)[O-])CCC2 ZINC000017079940 570940520 /nfs/dbraw/zinc/94/05/20/570940520.db2.gz BUKQBTZRANOPRH-FBDPFYNOSA-N -1 0 391.489 3.489 50 10 GGCARM COc1ccc(OC)c(C=C2C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)c1 ZINC000001264130 570951080 /nfs/dbraw/zinc/95/10/80/570951080.db2.gz YPQZINFTUPHPCQ-MHWRWJLKSA-N -1 0 384.363 3.345 50 10 GGCARM C[C@H]1CCc2cc(F)ccc2N1/C=C1/C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000033315655 570971842 /nfs/dbraw/zinc/97/18/42/570971842.db2.gz SHGLUBCEWOIIIL-RVAQLADHSA-N -1 0 393.418 3.129 50 10 GGCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cnc(-c3ccccc3)nc2)C1=O ZINC000001182769 1398301601 /nfs/dbraw/zinc/30/16/01/1398301601.db2.gz VFVXBPHSQFPUBU-GZTJUZNOSA-N -1 0 384.395 3.118 50 10 GGCARM COc1ccc(CN2C(=O)[N-]C(=O)C(=Cc3cn(C)c4ccccc34)C2=O)cc1 ZINC000002287199 1398306706 /nfs/dbraw/zinc/30/67/06/1398306706.db2.gz KJIDHDAPUCPNCF-WQRHYEAKSA-N -1 0 389.411 3.053 50 10 GGCARM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000010274256 1398883967 /nfs/dbraw/zinc/88/39/67/1398883967.db2.gz OHTJGOLVBIWLAI-UHFFFAOYSA-N -1 0 393.420 3.271 50 10 GGCARM COC(=O)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000012382988 1399040505 /nfs/dbraw/zinc/04/05/05/1399040505.db2.gz FUQGESRRQDJLJH-PDGQHHTCSA-N -1 0 392.411 3.263 50 10 GGCARM Cc1[nH]c2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(Cc2ccc(F)cc2)C1=O ZINC000015659305 1399182840 /nfs/dbraw/zinc/18/28/40/1399182840.db2.gz PSYGUCCSVPQWCU-YVLHZVERSA-N -1 0 377.375 3.277 50 10 GGCARM CCOc1cc(/C=C2/C(=O)[N-]N(c3ccc(CC)cc3)C2=O)cc(Cl)c1O ZINC000016156118 1399216400 /nfs/dbraw/zinc/21/64/00/1399216400.db2.gz YRUKKQFYUVBZMG-DHDCSXOGSA-N -1 0 386.835 3.468 50 10 GGCARM CCCCCCN1C(=O)[N-]C(=O)/C(=C\c2cnc(-c3ccccc3)nc2)C1=O ZINC000003771808 209119258 /nfs/dbraw/zinc/11/92/58/209119258.db2.gz IDXSMVIBXPLIEK-SFQUDFHCSA-N -1 0 378.432 3.186 50 10 GGCARM COc1cc(/C=C2\C(=O)[N-]N(c3ccc(Cl)c(Cl)c3)C2=O)ccc1O ZINC000000830943 206325676 /nfs/dbraw/zinc/32/56/76/206325676.db2.gz HXGLQQGNMQRHCK-IZZDOVSWSA-N -1 0 379.199 3.169 50 10 GGCARM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccsc1 ZINC000000980469 206338890 /nfs/dbraw/zinc/33/88/90/206338890.db2.gz QKYIEGKGAOIAOQ-KPKJPENVSA-N -1 0 393.287 3.342 50 10 GGCARM O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(O)cc1 ZINC000001069949 206347920 /nfs/dbraw/zinc/34/79/20/206347920.db2.gz YNGKDPLQOXRAQT-RIYZIHGNSA-N -1 0 376.290 3.077 50 10 GGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1 ZINC000001066305 206348008 /nfs/dbraw/zinc/34/80/08/206348008.db2.gz MWVHCMXFZDETRI-AWNIVKPZSA-N -1 0 395.327 3.139 50 10 GGCARM Cc1ccc(N2[N-]C(=O)C(=Cc3c[nH]nc3-c3ccc(F)cc3)C2=O)cc1C ZINC000001069750 206348562 /nfs/dbraw/zinc/34/85/62/206348562.db2.gz MMWYIXPQYWHDTM-VCHYOVAHSA-N -1 0 376.391 3.294 50 10 GGCARM COc1cc(/C=C2\C(=O)[N-]N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OC ZINC000001070507 206348695 /nfs/dbraw/zinc/34/86/95/206348695.db2.gz XLWHQUBIEGQZDT-AWNIVKPZSA-N -1 0 393.226 3.472 50 10 GGCARM O=C1[N-]C(=O)N(Cc2cccs2)C(=O)C1=Cc1ccc(N2CCOCC2)cc1 ZINC000001092679 206352379 /nfs/dbraw/zinc/35/23/79/206352379.db2.gz VDBFWIMKCUBLTA-SFQUDFHCSA-N -1 0 397.456 3.087 50 10 GGCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 ZINC000001101522 206352875 /nfs/dbraw/zinc/35/28/75/206352875.db2.gz OAZCKSGZMNSSLS-FOWTUZBSSA-N -1 0 399.447 3.240 50 10 GGCARM COc1cccc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)c1OC ZINC000001299262 206372068 /nfs/dbraw/zinc/37/20/68/206372068.db2.gz PJEKOILLZDITLD-LLBKUYECSA-N -1 0 381.475 3.014 50 10 GGCARM Cc1ccc(-n2cc(C=C3C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)cn2)cc1 ZINC000001157174 206360604 /nfs/dbraw/zinc/36/06/04/206360604.db2.gz RDHJDHXLBBQNDF-ODLFYWEKSA-N -1 0 386.411 3.156 50 10 GGCARM Cc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)c1 ZINC000001186813 206364767 /nfs/dbraw/zinc/36/47/67/206364767.db2.gz ZDWKYRXVCFDKLO-OQLLNIDSSA-N -1 0 385.217 3.424 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(N2CCCCCC2)o1 ZINC000001186594 206365269 /nfs/dbraw/zinc/36/52/69/206365269.db2.gz DOYDRXLMKKPMGF-GHRIWEEISA-N -1 0 397.406 3.466 50 10 GGCARM COc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 ZINC000001192654 206365397 /nfs/dbraw/zinc/36/53/97/206365397.db2.gz STJIKKDOUZQHKF-OQLLNIDSSA-N -1 0 386.791 3.024 50 10 GGCARM Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)[N-]C2=S)c1 ZINC000001194172 206365449 /nfs/dbraw/zinc/36/54/49/206365449.db2.gz VGCIRIRKSHYATQ-RIYZIHGNSA-N -1 0 386.860 3.494 50 10 GGCARM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cccn1-c1ccccc1 ZINC000001186605 206365503 /nfs/dbraw/zinc/36/55/03/206365503.db2.gz VVPAYPVCGPQHJM-QGOAFFKASA-N -1 0 375.359 3.283 50 10 GGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)o3)C2=O)c1C ZINC000001186310 206365750 /nfs/dbraw/zinc/36/57/50/206365750.db2.gz ROOXXVCSMDJBGK-FOWTUZBSSA-N -1 0 379.416 3.163 50 10 GGCARM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1cccs1 ZINC000001203283 206366156 /nfs/dbraw/zinc/36/61/56/206366156.db2.gz XBJUMNLGAFVXBC-XYOKQWHBSA-N -1 0 377.219 3.177 50 10 GGCARM CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c(OCC)c1 ZINC000001201825 206366449 /nfs/dbraw/zinc/36/64/49/206366449.db2.gz OZFMRHATOPUSEF-PDGQHHTCSA-N -1 0 394.427 3.459 50 10 GGCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)cc1 ZINC000001197244 206366924 /nfs/dbraw/zinc/36/69/24/206366924.db2.gz XALPCORFOFHFMD-CPNJWEJPSA-N -1 0 393.443 3.208 50 10 GGCARM CCc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)[N-]C2=S)cc1 ZINC000001204462 206367001 /nfs/dbraw/zinc/36/70/01/206367001.db2.gz MUCCFVSNZAQUEW-NTEUORMPSA-N -1 0 386.860 3.439 50 10 GGCARM CCOc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)cc1OC ZINC000001199437 206367206 /nfs/dbraw/zinc/36/72/06/206367206.db2.gz FZAKHGBOHMKVJZ-SFQUDFHCSA-N -1 0 394.427 3.323 50 10 GGCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)o1 ZINC000001213110 206368075 /nfs/dbraw/zinc/36/80/75/206368075.db2.gz KGTJSWPVNAODTO-RVDMUPIBSA-N -1 0 387.823 3.446 50 10 GGCARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(Br)cc1 ZINC000001225716 206369615 /nfs/dbraw/zinc/36/96/15/206369615.db2.gz NMEOARUGRNOZOD-XNTDXEJSSA-N -1 0 385.217 3.111 50 10 GGCARM COc1ccc(/C=C2\SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)cc1OC ZINC000001227049 206369783 /nfs/dbraw/zinc/36/97/83/206369783.db2.gz YDVPRMBLLFDXSB-MQJVFOOVSA-N -1 0 381.475 3.014 50 10 GGCARM CCCCOc1ccc(/C=C2/SC(=S)N(CC(=O)[O-])C2=O)cc1OC ZINC000001779691 206391762 /nfs/dbraw/zinc/39/17/62/206391762.db2.gz BFCSGPQXRLTXIU-NTEUORMPSA-N -1 0 381.475 3.160 50 10 GGCARM COc1ccccc1/C=C1/SC(=S)N([C@@H](CCSC)C(=O)[O-])C1=O ZINC000001786470 206392407 /nfs/dbraw/zinc/39/24/07/206392407.db2.gz CPQDQINQUMLTEX-GJSJWPQCSA-N -1 0 383.516 3.103 50 10 GGCARM O=C([N-]N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S)c1cccs1 ZINC000003766128 206493629 /nfs/dbraw/zinc/49/36/29/206493629.db2.gz IKODGTUKNMFDIT-XYOKQWHBSA-N -1 0 391.455 3.203 50 10 GGCARM Cc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)c(C(=O)[O-])c1 ZINC000004649178 206537855 /nfs/dbraw/zinc/53/78/55/206537855.db2.gz GRXRTPKSQQTYQE-UHFFFAOYSA-N -1 0 380.400 3.198 50 10 GGCARM COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)[O-])N2 ZINC000004881513 206565930 /nfs/dbraw/zinc/56/59/30/206565930.db2.gz RYNSFZVUENDLBC-PJIJBLCYSA-N -1 0 393.395 3.231 50 10 GGCARM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cccn1-c1ccc(F)cc1 ZINC000004747750 206552226 /nfs/dbraw/zinc/55/22/26/206552226.db2.gz VMZJOSYOAADBGL-QGOAFFKASA-N -1 0 381.407 3.411 50 10 GGCARM CC(C)OC(=O)c1c2c(sc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])CCC2 ZINC000005727306 206626648 /nfs/dbraw/zinc/62/66/48/206626648.db2.gz RJXKFNJSNGFMEK-RYUDHWBXSA-N -1 0 377.462 3.408 50 10 GGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=CC=Cc3ccc(N(C)C)cc3)C2=O)cc1 ZINC000014011164 207008638 /nfs/dbraw/zinc/00/86/38/207008638.db2.gz PWTBKWGOGGNEKK-SDQPKSGYSA-N -1 0 375.428 3.284 50 10 GGCARM Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)o1 ZINC000014011152 207008065 /nfs/dbraw/zinc/00/80/65/207008065.db2.gz KPWDMGLNXXYZBJ-JYRVWZFOSA-N -1 0 375.178 3.017 50 10 GGCARM CN(C)c1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000015012674 207040956 /nfs/dbraw/zinc/04/09/56/207040956.db2.gz QFMGCLFBXWWNAC-WJDWOHSUSA-N -1 0 385.876 3.237 50 10 GGCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)cc1O ZINC000015722863 207055764 /nfs/dbraw/zinc/05/57/64/207055764.db2.gz SLJFHQUCRGHKMC-YBEGLDIGSA-N -1 0 380.400 3.191 50 10 GGCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000015134428 207048615 /nfs/dbraw/zinc/04/86/15/207048615.db2.gz JNIFYJWTQMMRAB-ATVHPVEESA-N -1 0 375.340 3.316 50 10 GGCARM Cc1cc(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1C1CCCC1 ZINC000015800093 207062723 /nfs/dbraw/zinc/06/27/23/207062723.db2.gz ZRYRCVXDJUYJPL-WQRHYEAKSA-N -1 0 381.432 3.475 50 10 GGCARM CCN(CC)c1ccc(/C=C2/C(=O)[N-]N(c3cccc(Cl)c3)C2=O)c(O)c1 ZINC000016671016 207075860 /nfs/dbraw/zinc/07/58/60/207075860.db2.gz FGJAERYYCQEYET-YVLHZVERSA-N -1 0 385.851 3.353 50 10 GGCARM CC(C)[C@H](C(=O)[O-])N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S ZINC000016936828 207080082 /nfs/dbraw/zinc/08/00/82/207080082.db2.gz ZQNVGQATEPSXGF-CKNOQMABSA-N -1 0 375.471 3.316 50 10 GGCARM COC(=O)c1c2c(sc1NC(=O)[C@@H]1C3CCC(CC3)[C@@H]1C(=O)[O-])CCCC2 ZINC000017079936 207083297 /nfs/dbraw/zinc/08/32/97/207083297.db2.gz NTHDEMARMNPSMK-FBDPFYNOSA-N -1 0 391.489 3.489 50 10 GGCARM COC(=O)c1c2c(sc1NC(=O)[C@H]1C3CCC(CC3)[C@@H]1C(=O)[O-])CCCC2 ZINC000017079937 207084249 /nfs/dbraw/zinc/08/42/49/207084249.db2.gz NTHDEMARMNPSMK-HBGGEXNNSA-N -1 0 391.489 3.489 50 10 GGCARM COc1ccc(Oc2coc3c(ccc([O-])c3CN3CCOCC3)c2=O)cc1 ZINC000019789739 207160208 /nfs/dbraw/zinc/16/02/08/207160208.db2.gz PGAGTIXXHLZJPI-UHFFFAOYSA-N -1 0 383.400 3.132 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\C=C\c1ccccc1[N+](=O)[O-] ZINC000019772851 207160246 /nfs/dbraw/zinc/16/02/46/207160246.db2.gz AAJVGLWXPVNUSH-VLVOFSMPSA-N -1 0 397.774 3.471 50 10 GGCARM CC1=NN2C(=NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)C2=N)S1 ZINC000019955716 207173064 /nfs/dbraw/zinc/17/30/64/207173064.db2.gz VQPYWQVGSAOVLI-OTXQKAJQSA-N -1 0 380.385 3.284 50 10 GGCARM COc1ccc(-c2[nH]nc3nc(-c4ccc(O)c(O)c4)cc(C(=O)[O-])c32)cc1 ZINC000020134906 207179436 /nfs/dbraw/zinc/17/94/36/207179436.db2.gz JRDFOXVQOVKHCJ-UHFFFAOYSA-N -1 0 377.356 3.410 50 10 GGCARM COc1ccc(C2=NN(C(=O)/C=C\C(=O)[O-])[C@@H](c3cc(C)ccc3O)C2)cc1 ZINC000080316287 208076675 /nfs/dbraw/zinc/07/66/75/208076675.db2.gz DEQIHDAZIMHIAM-HJCTWCACSA-N -1 0 380.400 3.028 50 10 GGCARM CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1cnn(C)c1 ZINC000095477532 208192392 /nfs/dbraw/zinc/19/23/92/208192392.db2.gz DERAPNWTWWUYNO-UHFFFAOYSA-N -1 0 379.376 3.429 50 10 GGCARM COc1ccc(OC)c(/C=C2/SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000012438412 208769377 /nfs/dbraw/zinc/76/93/77/208769377.db2.gz QRPFLBNGSUZPSD-MAUPQMMJSA-N -1 0 381.475 3.014 50 10 GGCARM COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000222270802 208873180 /nfs/dbraw/zinc/87/31/80/208873180.db2.gz JPHYGCWJMAFAHY-IJLUTSLNSA-N -1 0 377.462 3.265 50 10 GGCARM CCN1CCCc2cc(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)ccc21 ZINC000011615984 221119050 /nfs/dbraw/zinc/11/90/50/221119050.db2.gz LMTDUEQZFLDNHY-PTNGSMBKSA-N -1 0 376.503 3.135 50 10 GGCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000100758736 136196041 /nfs/dbraw/zinc/19/60/41/136196041.db2.gz AMJBIUKXOQTZER-JXAWBTAJSA-N -1 0 378.432 3.112 50 10 GGCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCCC3)o2)C1=O ZINC000001180372 136196223 /nfs/dbraw/zinc/19/62/23/136196223.db2.gz AOAPJLCUCSHKBA-DTQAZKPQSA-N -1 0 379.416 3.245 50 10 GGCARM CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccc(OCC)c3)C2=O)cc1 ZINC000001173115 136196226 /nfs/dbraw/zinc/19/62/26/136196226.db2.gz DJIVAEVFGNCHFL-QGOAFFKASA-N -1 0 380.400 3.150 50 10 GGCARM Cc1cc(C)c(N2C(=O)C(=CNCc3ccccc3)C(=O)[N-]C2=S)c(C)c1 ZINC000101194074 136196351 /nfs/dbraw/zinc/19/63/51/136196351.db2.gz RYULGKOGIBRSME-SFQUDFHCSA-N -1 0 379.485 3.033 50 10 GGCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)cc1 ZINC000102415325 136196405 /nfs/dbraw/zinc/19/64/05/136196405.db2.gz JEGBOQVQLTXPBM-XMHGGMMESA-N -1 0 392.459 3.420 50 10 GGCARM COc1ccc(OC)c(/C=C2\C(=O)[N-]C(=O)N(CCC3=CCCCC3)C2=O)c1 ZINC000017029041 534223471 /nfs/dbraw/zinc/22/34/71/534223471.db2.gz ZFQXNTZLJSQOEO-GHRIWEEISA-N -1 0 384.432 3.056 50 10 GGCARM COc1ccc(N2C(=O)C(=Cc3ccc([N+](=O)[O-])s3)C(=O)[N-]C2=S)cc1 ZINC000002820610 536656617 /nfs/dbraw/zinc/65/66/17/536656617.db2.gz NMWCLRVVXULFKV-XYOKQWHBSA-N -1 0 389.414 3.337 50 10 GGCARM COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCC(=O)[O-] ZINC000002819276 564190280 /nfs/dbraw/zinc/19/02/80/564190280.db2.gz BLGBXBNYLXLLHJ-AUWJEWJLSA-N -1 0 381.475 3.016 50 10 GGCARM CCCOc1c(/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)cccc1OC ZINC000002829151 564190456 /nfs/dbraw/zinc/19/04/56/564190456.db2.gz AVVAFTMFHXCARS-JLHYYAGUSA-N -1 0 381.475 3.160 50 10 GGCARM CCN1C(=O)/C(=C/C=C2/Sc3ccccc3N2CC(=O)[O-])SC1=S ZINC000002818373 564190666 /nfs/dbraw/zinc/19/06/66/564190666.db2.gz NLOIFXKNOLUCMT-HAKHBUOSSA-N -1 0 378.500 3.289 50 10 GGCARM COc1cc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)ccc1O ZINC000003773552 564200372 /nfs/dbraw/zinc/20/03/72/564200372.db2.gz KMVBPQUMZNIMMZ-MDWZMJQESA-N -1 0 392.483 3.009 50 10 GGCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)o3)C2=O)cc1 ZINC000004473700 564202963 /nfs/dbraw/zinc/20/29/63/564202963.db2.gz XHAJRBCBHKSKAL-LCYFTJDESA-N -1 0 389.205 3.271 50 10 GGCARM Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000004662590 564205178 /nfs/dbraw/zinc/20/51/78/564205178.db2.gz JGNIDYFCJBGYPR-GDNBJRDFSA-N -1 0 385.217 3.424 50 10 GGCARM O=C1[N-]C(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccsc1 ZINC000004655901 564205210 /nfs/dbraw/zinc/20/52/10/564205210.db2.gz QKYIEGKGAOIAOQ-GHXNOFRVSA-N -1 0 393.287 3.342 50 10 GGCARM Cc1cc(Br)ccc1N1C(=O)/C(=C\c2ccco2)C(=O)[N-]C1=S ZINC000004739016 564205978 /nfs/dbraw/zinc/20/59/78/564205978.db2.gz VJUIVHXIZRGSBA-WQLSENKSSA-N -1 0 391.246 3.182 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(Br)s1 ZINC000004703306 564206252 /nfs/dbraw/zinc/20/62/52/564206252.db2.gz SJMPDQASKDISAE-YRNVUSSQSA-N -1 0 395.209 3.316 50 10 GGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)s3)C2=O)cc1 ZINC000004704465 564206292 /nfs/dbraw/zinc/20/62/92/564206292.db2.gz LZQIRGHHVQWXDC-XYOKQWHBSA-N -1 0 391.246 3.485 50 10 GGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNc1ccccc1Br ZINC000005650182 564218474 /nfs/dbraw/zinc/21/84/74/564218474.db2.gz YWJKLPWCFDWIBC-ZRDIBKRKSA-N -1 0 386.205 3.028 50 10 GGCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000005650039 564218784 /nfs/dbraw/zinc/21/87/84/564218784.db2.gz CRKKUQJMTDRKFJ-IZZDOVSWSA-N -1 0 378.171 3.363 50 10 GGCARM Cc1cc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc2c1O[C@H](C)C2 ZINC000012062565 564265943 /nfs/dbraw/zinc/26/59/43/564265943.db2.gz HLUARHNHXQOLRG-RLIURORJSA-N -1 0 377.487 3.384 50 10 GGCARM Cn1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc21 ZINC000004817145 570235995 /nfs/dbraw/zinc/23/59/95/570235995.db2.gz RPAGJXAPAFJSHC-UVTDQMKNSA-N -1 0 379.416 3.149 50 10 GGCARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(C(=O)C(=O)c3ccccc3)cc1)C2=O ZINC000002309231 570282238 /nfs/dbraw/zinc/28/22/38/570282238.db2.gz NYGZCQDEBVPHIF-UHFFFAOYSA-N -1 0 399.358 3.251 50 10 GGCARM COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)cc1Cl ZINC000002964737 570320416 /nfs/dbraw/zinc/32/04/16/570320416.db2.gz YWKKDARWMSSBBD-FLIBITNWSA-N -1 0 390.823 3.319 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(N2CCCCC2)o1 ZINC000004475184 570376472 /nfs/dbraw/zinc/37/64/72/570376472.db2.gz YPJWNMHWDXRXSG-VBKFSLOCSA-N -1 0 383.379 3.075 50 10 GGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)o3)C2=O)c1C ZINC000004513310 570380931 /nfs/dbraw/zinc/38/09/31/570380931.db2.gz ROOXXVCSMDJBGK-VBKFSLOCSA-N -1 0 379.416 3.163 50 10 GGCARM COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000005021133 570424266 /nfs/dbraw/zinc/42/42/66/570424266.db2.gz JPHYGCWJMAFAHY-UTUOFQBUSA-N -1 0 377.462 3.265 50 10 GGCARM CCN1CCc2cc(/C=C3/C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)ccc21 ZINC000005155865 570433827 /nfs/dbraw/zinc/43/38/27/570433827.db2.gz BJMNWATXXWBBRK-AQTBWJFISA-N -1 0 375.428 3.044 50 10 GGCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=CNc1cc(Cl)ccc1O ZINC000006093146 570466245 /nfs/dbraw/zinc/46/62/45/570466245.db2.gz WODNRBVYPNRRNY-WQLSENKSSA-N -1 0 392.198 3.278 50 10 GGCARM COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](C(=O)[O-])N2 ZINC000169300033 570477746 /nfs/dbraw/zinc/47/77/46/570477746.db2.gz RYNSFZVUENDLBC-TYILLQQXSA-N -1 0 393.395 3.231 50 10 GGCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000016667478 570491062 /nfs/dbraw/zinc/49/10/62/570491062.db2.gz KBKRRDUJQWPPLS-ATVHPVEESA-N -1 0 375.340 3.316 50 10 GGCARM CCC(=O)Oc1ccc(/C=C2/C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000005175580 570492988 /nfs/dbraw/zinc/49/29/88/570492988.db2.gz KYWPSPXUUFKAAJ-BOPFTXTBSA-N -1 0 394.427 3.089 50 10 GGCARM COc1ccc([N-]S(=O)(=O)c2cccc3nsnc32)cc1-n1cccc1 ZINC000061718687 570501832 /nfs/dbraw/zinc/50/18/32/570501832.db2.gz IWEBTVHAOCSQAF-UHFFFAOYSA-N -1 0 386.458 3.291 50 10 GGCARM O=C1[N-]C(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N1 ZINC000003097640 570503435 /nfs/dbraw/zinc/50/34/35/570503435.db2.gz ZOQLRGNMYTUQAJ-UHFFFAOYSA-N -1 0 391.210 3.322 50 10 GGCARM CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(OC)c(O)c(OC)c3)C2=O)cc1 ZINC000008914349 570542753 /nfs/dbraw/zinc/54/27/53/570542753.db2.gz RAPVEHAVKFWWKN-DHDCSXOGSA-N -1 0 396.399 3.479 50 10 GGCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)ccc1O ZINC000009067125 570547966 /nfs/dbraw/zinc/54/79/66/570547966.db2.gz FCXAWQUNPYYGSZ-MHWRWJLKSA-N -1 0 380.400 3.395 50 10 GGCARM COc1ccc(N(CC(=O)[O-])CC(=O)NCc2ccc(Cl)c(Cl)c2)cc1 ZINC000034926487 570548159 /nfs/dbraw/zinc/54/81/59/570548159.db2.gz CKEOIDCQRJEWGE-UHFFFAOYSA-N -1 0 397.258 3.209 50 10 GGCARM O=C1CC(N2C(=O)C(=Cc3ccccc3)SC2=S)=C([O-])N1c1ccccc1 ZINC000005350493 570563392 /nfs/dbraw/zinc/56/33/92/570563392.db2.gz FQYOCVMAORQVJO-CNYBTUBUSA-N -1 0 394.477 3.220 50 10 GGCARM Cc1cc2oc(=O)cc(C)c2c([O-])c1C1=NN[C@H](c2ccc3c(c2)OCO3)C1 ZINC000012390046 570641146 /nfs/dbraw/zinc/64/11/46/570641146.db2.gz XKNUSXPXDSTJSA-ZDUSSCGKSA-N -1 0 378.384 3.283 50 10 GGCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)c(OC)c1 ZINC000012382990 570649841 /nfs/dbraw/zinc/64/98/41/570649841.db2.gz KHRUMKNJKKZCLV-WQRHYEAKSA-N -1 0 394.427 3.494 50 10 GGCARM O=C1[N-]C(=O)C(=Cc2c(OCc3cccc(F)c3)ccc3ccccc32)C(=O)N1 ZINC000001178380 570713448 /nfs/dbraw/zinc/71/34/48/570713448.db2.gz ZQYGLNKCTWWIRJ-UHFFFAOYSA-N -1 0 390.370 3.307 50 10 GGCARM O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)/C1=C/c1c[nH]c2cc(F)ccc12 ZINC000013623868 570763303 /nfs/dbraw/zinc/76/33/03/570763303.db2.gz YJOGEQDKEOCCCX-LICLKQGHSA-N -1 0 377.375 3.012 50 10 GGCARM COc1cc(OC)c(OC)cc1C=C1C(=O)[N-]C(=S)N(c2ccccc2)C1=O ZINC000013773690 570788994 /nfs/dbraw/zinc/78/89/94/570788994.db2.gz BTRGGMRILABBBI-ZROIWOOFSA-N -1 0 398.440 3.384 50 10 GGCARM O=C1[N-]C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)C(=O)N1 ZINC000001176413 570790530 /nfs/dbraw/zinc/79/05/30/570790530.db2.gz JXFLYMRSPMFLRD-UHFFFAOYSA-N -1 0 398.378 3.035 50 10 GGCARM Cc1ccc(N2C(=O)C(=CN[C@@H](C)c3ccccc3)C(=O)[N-]C2=S)cc1C ZINC000005691064 570812669 /nfs/dbraw/zinc/81/26/69/570812669.db2.gz FKCVYLTWMXLAMJ-BRFSQIRFSA-N -1 0 379.485 3.286 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 ZINC000004675486 570822027 /nfs/dbraw/zinc/82/20/27/570822027.db2.gz CEXHIZCRMLJRGM-XMHGGMMESA-N -1 0 393.418 3.482 50 10 GGCARM CCc1ccc(N2C(=O)/C(=C\c3ccc(O)c(Cl)c3)C(=O)[N-]C2=S)cc1 ZINC000004725189 570865379 /nfs/dbraw/zinc/86/53/79/570865379.db2.gz MUCCFVSNZAQUEW-ZROIWOOFSA-N -1 0 386.860 3.439 50 10 GGCARM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c1OC(C)C ZINC000004783828 570987854 /nfs/dbraw/zinc/98/78/54/570987854.db2.gz HZZSGEUECAUJSQ-FOWTUZBSSA-N -1 0 386.448 3.277 50 10 GGCARM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C\c1cc2c3c(c1)CCCN3CCC2 ZINC000001155962 1398301726 /nfs/dbraw/zinc/30/17/26/1398301726.db2.gz SLJIKVGMUAZUMY-RGEXLXHISA-N -1 0 393.487 3.180 50 10 GGCARM Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)c(C)c1 ZINC000001233272 1398302261 /nfs/dbraw/zinc/30/22/61/1398302261.db2.gz OPDMCNNEDXLJGC-LDADJPATSA-N -1 0 377.444 3.344 50 10 GGCARM Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc4c(c3)OCO4)C2=O)c(C)c1 ZINC000001228977 1398302369 /nfs/dbraw/zinc/30/23/69/1398302369.db2.gz NLHWDJDWTNAURL-OVCLIPMQSA-N -1 0 378.384 3.007 50 10 GGCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)cc1 ZINC000001225779 1398302468 /nfs/dbraw/zinc/30/24/68/1398302468.db2.gz JWDJVICOKPFRRH-SAPNQHFASA-N -1 0 393.443 3.208 50 10 GGCARM CCN(C)c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000001206583 1398302610 /nfs/dbraw/zinc/30/26/10/1398302610.db2.gz ULDWPJGVUSLLKS-CPNJWEJPSA-N -1 0 377.444 3.426 50 10 GGCARM CCCCCCN1C(=O)[N-]C(=O)/C(=C\c2cc3c4c(c2)CCCN4[C@H](C)C3)C1=O ZINC000002263956 1398305902 /nfs/dbraw/zinc/30/59/02/1398305902.db2.gz DZCSDKRNIDZRLK-WBFOAEISSA-N -1 0 395.503 3.426 50 10 GGCARM COc1cc(C=C2C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)ccc1O ZINC000002286166 1398306167 /nfs/dbraw/zinc/30/61/67/1398306167.db2.gz ZOHMHSDGHBNGNX-XNTDXEJSSA-N -1 0 384.363 3.085 50 10 GGCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)SC1=S ZINC000002672828 1398317139 /nfs/dbraw/zinc/31/71/39/1398317139.db2.gz SIYABHKJIWQNOM-NTUHNPAUSA-N -1 0 390.398 3.141 50 10 GGCARM O=C1[N-]C(=O)N(c2cccc3ccccc32)C(=O)/C1=C\c1ccc2c(c1)OCO2 ZINC000004991416 1398409845 /nfs/dbraw/zinc/40/98/45/1398409845.db2.gz KTDFLQWJYAXXFF-YBEGLDIGSA-N -1 0 386.363 3.235 50 10 GGCARM O=C1[N-]C(=S)N(c2ccccc2Cl)C(=O)C1=CNc1ccc(F)cc1 ZINC000005595956 1398457452 /nfs/dbraw/zinc/45/74/52/1398457452.db2.gz VTUNKRRMWIYHKL-XFXZXTDPSA-N -1 0 375.812 3.223 50 10 GGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1coc2ccc(O)cc2c1=O ZINC000008968870 1398850826 /nfs/dbraw/zinc/85/08/26/1398850826.db2.gz MCHJMVLDJAIFBY-OVCLIPMQSA-N -1 0 376.324 3.005 50 10 GGCARM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)C1=CNN1CCCC[C@@H]1c1cccnc1 ZINC000008971407 1398850889 /nfs/dbraw/zinc/85/08/89/1398850889.db2.gz VPLAOHISIALBSP-UWXVCKHVSA-N -1 0 397.479 3.249 50 10 GGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(Cc3ccc(F)cc3)C2=O)c(OC)c1 ZINC000008995237 1398851503 /nfs/dbraw/zinc/85/15/03/1398851503.db2.gz AEXQRSRMPIYEOM-CXUHLZMHSA-N -1 0 384.363 3.345 50 10 GGCARM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)/C1=C/c1cc2c3c(c1)CCCN3CCC2 ZINC000009009721 1398851636 /nfs/dbraw/zinc/85/16/36/1398851636.db2.gz SLJIKVGMUAZUMY-XMHGGMMESA-N -1 0 393.487 3.180 50 10 GGCARM Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=CNc3ccc4c(c3)CCC4)C2=O)c1 ZINC000009356730 1398857557 /nfs/dbraw/zinc/85/75/57/1398857557.db2.gz WZGMRCJGQQSJMK-UNOMPAQXSA-N -1 0 375.428 3.371 50 10 GGCARM Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(C)C3=O)o2)c(Br)c1 ZINC000015722910 1399189202 /nfs/dbraw/zinc/18/92/02/1399189202.db2.gz AWXFTLHXJFXTAJ-WQLSENKSSA-N -1 0 389.205 3.109 50 10 GGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N(C)C)c([N+](=O)[O-])c3)C2=O)c1 ZINC000016663399 1399254973 /nfs/dbraw/zinc/25/49/73/1399254973.db2.gz CFCBXUBRSKEDHE-XNTDXEJSSA-N -1 0 394.387 3.476 50 10 GGCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N(C)C)c([N+](=O)[O-])c2)C1=O ZINC000016667092 1399255490 /nfs/dbraw/zinc/25/54/90/1399255490.db2.gz RLTHPEMOSPCABT-UVTDQMKNSA-N -1 0 394.387 3.476 50 10 GGCARM O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1c([O-])ccc2c3c(c(=O)oc21)CCCC3 ZINC000004037323 1126075663 /nfs/dbraw/zinc/07/56/63/1126075663.db2.gz XKZOQPCOAKEAMA-LJQANCHMSA-N -1 0 393.439 3.163 50 10 biogenic GGCARM O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1c([O-])ccc2c3ccccc3c(=O)oc21 ZINC000028120335 1126075738 /nfs/dbraw/zinc/07/57/38/1126075738.db2.gz WSAMWULVMMTURK-IBGZPJMESA-N -1 0 389.407 3.437 50 10 GGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=CNNc1cc(Cl)ccc1Cl ZINC000019117577 210225617 /nfs/dbraw/zinc/22/56/17/210225617.db2.gz LTOSRACWIKSZFA-XFXZXTDPSA-N -1 0 391.214 3.077 50 10 GGCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(OC)c1 ZINC000017299988 210208097 /nfs/dbraw/zinc/20/80/97/210208097.db2.gz QKOUEYHJUZNYFQ-QGOAFFKASA-N -1 0 399.491 3.336 50 10 GGCARM O=C1[N-]C(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccc([N+](=O)[O-])s1 ZINC000017028690 210201782 /nfs/dbraw/zinc/20/17/82/210201782.db2.gz RIKBSDKJZWWSCZ-KPKJPENVSA-N -1 0 375.337 3.298 50 10 GGCARM CCOc1ccccc1/C=C1/C(=O)[N-]N(c2ccc(Br)cc2)C1=O ZINC000016671347 210192821 /nfs/dbraw/zinc/19/28/21/210192821.db2.gz KCWWTFYCHRSHSD-PTNGSMBKSA-N -1 0 387.233 3.309 50 10 GGCARM COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc([N+](=O)[O-])c1[O-] ZINC000016214089 210187134 /nfs/dbraw/zinc/18/71/34/210187134.db2.gz VECMQEMHYIKJJA-QPEQYQDCSA-N -1 0 392.414 3.303 50 10 GGCARM CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(OCC)cc3)C2=O)cc1 ZINC000015219801 210153610 /nfs/dbraw/zinc/15/36/10/210153610.db2.gz YFDJDUPTOOVDAL-AQTBWJFISA-N -1 0 380.400 3.150 50 10 GGCARM COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=S)N(c2ccc(F)cc2)C1=O ZINC000015012844 210142557 /nfs/dbraw/zinc/14/25/57/210142557.db2.gz LYGOASLBCMHXFO-ZROIWOOFSA-N -1 0 390.823 3.319 50 10 GGCARM COc1cc(OC)c(OC)cc1C=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000013804646 210092897 /nfs/dbraw/zinc/09/28/97/210092897.db2.gz KMMOIKCTQKLXDX-NTEUORMPSA-N -1 0 382.372 3.219 50 10 GGCARM COc1cc(OC)c(OC)cc1C=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000013687295 210079298 /nfs/dbraw/zinc/07/92/98/210079298.db2.gz ZUQYVQFOMNYGNN-DHDCSXOGSA-N -1 0 396.399 3.215 50 10 GGCARM COc1ccccc1/C=C1\SC(=S)N([C@@H](CCSC)C(=O)[O-])C1=O ZINC000013576645 210068097 /nfs/dbraw/zinc/06/80/97/210068097.db2.gz CPQDQINQUMLTEX-KWJWQAOWSA-N -1 0 383.516 3.103 50 10 GGCARM CCCOc1ccc(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1OCC ZINC000013343770 210057318 /nfs/dbraw/zinc/05/73/18/210057318.db2.gz OMKHIHZIWSWMEH-ZROIWOOFSA-N -1 0 381.475 3.160 50 10 GGCARM COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)ccc1O ZINC000013343079 210056698 /nfs/dbraw/zinc/05/66/98/210056698.db2.gz SSAHQDJWKBSLIB-UVTDQMKNSA-N -1 0 381.475 3.247 50 10 GGCARM Cc1nc(-c2ccccc2Cl)nc2sc(C(=O)N3CCOCC3)c([O-])c21 ZINC000012322733 209938451 /nfs/dbraw/zinc/93/84/51/209938451.db2.gz YPAUHQBJAGTHKP-UHFFFAOYSA-N -1 0 389.864 3.498 50 10 GGCARM COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)ccc1OC(C)=O ZINC000005477060 209597346 /nfs/dbraw/zinc/59/73/46/209597346.db2.gz CVBSKEXTHKCKRC-LICLKQGHSA-N -1 0 394.383 3.125 50 10 GGCARM COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000004614209 209503119 /nfs/dbraw/zinc/50/31/19/209503119.db2.gz ITTIIEUOMHMQAO-NWDGAFQWSA-N -1 0 377.462 3.409 50 10 GGCARM COC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000004614559 209502131 /nfs/dbraw/zinc/50/21/31/209502131.db2.gz SRWNKGYXOWZYBF-BVIHXZOGSA-N -1 0 391.489 3.489 50 10 GGCARM COc1cc2cccnc2c([N-]S(=O)(=O)c2c3nsnc3ccc2C)c1 ZINC000002870344 209393980 /nfs/dbraw/zinc/39/39/80/209393980.db2.gz JGPMWRONLKTODN-UHFFFAOYSA-N -1 0 386.458 3.357 50 10 GGCARM COC(=O)c1c2c(sc1NC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-])CCC2 ZINC000002801619 209387184 /nfs/dbraw/zinc/38/71/84/209387184.db2.gz KAUAXXYGEUBGJP-OLZOCXBDSA-N -1 0 377.462 3.409 50 10 GGCARM COC(=O)c1c2c(sc1NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)[O-])CCC2 ZINC000002801616 209386711 /nfs/dbraw/zinc/38/67/11/209386711.db2.gz KAUAXXYGEUBGJP-QWHCGFSZSA-N -1 0 377.462 3.409 50 10 GGCARM O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S ZINC000002412588 209362151 /nfs/dbraw/zinc/36/21/51/209362151.db2.gz AMZBKKRYLLGDIF-NTUHNPAUSA-N -1 0 390.398 3.141 50 10 GGCARM CCOc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000002394299 209361377 /nfs/dbraw/zinc/36/13/77/209361377.db2.gz YQHCYBPCIADKLQ-LDADJPATSA-N -1 0 395.484 3.446 50 10 GGCARM CCOc1ccc(NC=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 ZINC000002379946 209360319 /nfs/dbraw/zinc/36/03/19/209360319.db2.gz LCSYFOZCNXRSGP-PDGQHHTCSA-N -1 0 379.416 3.281 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Br)o1 ZINC000002285312 209354862 /nfs/dbraw/zinc/35/48/62/209354862.db2.gz LSRZBFGGWLQPEB-YRNVUSSQSA-N -1 0 395.596 3.362 50 10 GGCARM COc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3)C2=O)cc(OC)c1OC ZINC000002281404 209354778 /nfs/dbraw/zinc/35/47/78/209354778.db2.gz XOYHQOIXIIIRHD-NTEUORMPSA-N -1 0 398.440 3.384 50 10 GGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3OC)C2=O)cc1[N+](=O)[O-] ZINC000002181569 209348507 /nfs/dbraw/zinc/34/85/07/209348507.db2.gz GXMYJHIDOISRNW-FMIVXFBMSA-N -1 0 397.343 3.119 50 10 GGCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S ZINC000002221352 209351333 /nfs/dbraw/zinc/35/13/33/209351333.db2.gz BVBLGUAZPRKLBS-RAXLEYEMSA-N -1 0 375.475 3.409 50 10 GGCARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S ZINC000001786524 209340439 /nfs/dbraw/zinc/34/04/39/209340439.db2.gz ZXWRLTKLZFNAJY-CNYBTUBUSA-N -1 0 385.466 3.289 50 10 GGCARM COc1ccc(/C=C2\SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)c(OC)c1 ZINC000001800919 209340029 /nfs/dbraw/zinc/34/00/29/209340029.db2.gz PCHKVMPCCBNGES-LVOZBFFPSA-N -1 0 381.475 3.014 50 10 GGCARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S ZINC000001786527 209339545 /nfs/dbraw/zinc/33/95/45/209339545.db2.gz ZXWRLTKLZFNAJY-DFSFMLJYSA-N -1 0 385.466 3.289 50 10 GGCARM COc1ccc(/C=C2/SC(=S)N([N-]C(=O)c3cccs3)C2=O)cc1 ZINC000001412509 209326836 /nfs/dbraw/zinc/32/68/36/209326836.db2.gz AGXNCIWDJUKONQ-UKTHLTGXSA-N -1 0 376.484 3.303 50 10 GGCARM CN1C(=O)/C(=C2\SC(=S)N(c3cccc(C(=O)[O-])c3)C2=O)c2ccccc21 ZINC000001236253 209317294 /nfs/dbraw/zinc/31/72/94/209317294.db2.gz FHKMURRRZLRQLF-PFONDFGASA-N -1 0 396.449 3.137 50 10 GGCARM CCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)cc1OC ZINC000001236798 209318008 /nfs/dbraw/zinc/31/80/08/209318008.db2.gz FPEZMCUEHIOQSA-KQGZCTBQSA-N -1 0 395.502 3.404 50 10 GGCARM COc1cc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c([N+](=O)[O-])cc1OC ZINC000001207040 209314368 /nfs/dbraw/zinc/31/43/68/209314368.db2.gz NSFNNUVCCRPNIM-MDWZMJQESA-N -1 0 397.343 3.119 50 10 GGCARM O=C1[N-]C(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cccs1 ZINC000001203908 209313572 /nfs/dbraw/zinc/31/35/72/209313572.db2.gz ITSWXYIIAQZEMF-XYOKQWHBSA-N -1 0 393.287 3.342 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(F)cc1 ZINC000001203224 209313650 /nfs/dbraw/zinc/31/36/50/209313650.db2.gz IOYNJDXIKHLEHK-NTEUORMPSA-N -1 0 389.180 3.255 50 10 GGCARM COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=S)N(c2ccc(C)cc2)C1=O ZINC000001194866 209312883 /nfs/dbraw/zinc/31/28/83/209312883.db2.gz ICEMHPWJPMNKTO-XNTDXEJSSA-N -1 0 386.860 3.488 50 10 GGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)o3)C2=O)c1 ZINC000001201122 209312935 /nfs/dbraw/zinc/31/29/35/209312935.db2.gz LAIWUQXBBHSDMZ-XYOKQWHBSA-N -1 0 375.178 3.017 50 10 GGCARM Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)[N-]C2=S)c1C ZINC000001186103 209312028 /nfs/dbraw/zinc/31/20/28/209312028.db2.gz VRVLTEXUEBXPJP-MDWZMJQESA-N -1 0 386.860 3.494 50 10 GGCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCC3)cc2)C1=O ZINC000001192570 209311614 /nfs/dbraw/zinc/31/16/14/209311614.db2.gz GSPGXONEAIZVGS-NBVRZTHBSA-N -1 0 375.428 3.262 50 10 GGCARM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)c1OC(C)C ZINC000001153066 209307814 /nfs/dbraw/zinc/30/78/14/209307814.db2.gz MJAZBFFFDQFQPD-SFQUDFHCSA-N -1 0 394.427 3.457 50 10 GGCARM O=C1[N-]N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000001145553 209306863 /nfs/dbraw/zinc/30/68/63/209306863.db2.gz KCOLSQLMVHKMPL-BOPFTXTBSA-N -1 0 393.330 3.455 50 10 GGCARM Cc1cc(N2CCCC2)ccc1/C=C1/C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000001094374 209299908 /nfs/dbraw/zinc/29/99/08/209299908.db2.gz XYVLAWQYIFKOLS-LGMDPLHJSA-N -1 0 393.418 3.401 50 10 GGCARM Cc1cccc(C(=O)[O-])c1NC(=O)c1ccc2c(c1)C(=O)N(CC(C)C)C2=O ZINC000001010588 209289132 /nfs/dbraw/zinc/28/91/32/209289132.db2.gz DPXXZDOYJRFEKK-UHFFFAOYSA-N -1 0 380.400 3.198 50 10 GGCARM O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000000993860 209286875 /nfs/dbraw/zinc/28/68/75/209286875.db2.gz TYWZYBHHSGGSHB-GHXNOFRVSA-N -1 0 378.171 3.363 50 10 GGCARM O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000000966725 209285405 /nfs/dbraw/zinc/28/54/05/209285405.db2.gz ASMNMRFWPPRIFU-TYWAAFNRSA-N -1 0 399.449 3.442 50 10 GGCARM O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S ZINC000000966727 209285112 /nfs/dbraw/zinc/28/51/12/209285112.db2.gz ASMNMRFWPPRIFU-QOBZYLRHSA-N -1 0 399.449 3.442 50 10 GGCARM CC(=O)n1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(C)c3)C2=O)c2ccccc21 ZINC000000705257 209260253 /nfs/dbraw/zinc/26/02/53/209260253.db2.gz BFIZZJPWFCPCMH-WOJGMQOQSA-N -1 0 387.395 3.276 50 10 GGCARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000000682711 209259340 /nfs/dbraw/zinc/25/93/40/209259340.db2.gz KBKRRDUJQWPPLS-SFQUDFHCSA-N -1 0 375.340 3.316 50 10 GGCARM COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CC[C@H](C)C2 ZINC000016676441 209183263 /nfs/dbraw/zinc/18/32/63/209183263.db2.gz JPHYGCWJMAFAHY-QJPTWQEYSA-N -1 0 377.462 3.265 50 10 GGCARM O=C1[N-]C(=O)N(C2CCCCC2)C(=O)C1=CNN1CCCC[C@H]1c1cccnc1 ZINC000008971405 211600215 /nfs/dbraw/zinc/60/02/15/211600215.db2.gz VPLAOHISIALBSP-UMADGWCESA-N -1 0 397.479 3.249 50 10 GGCARM Cc1c(C(=O)[O-])cc(-c2ccc(Cl)cc2)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000040950074 211385714 /nfs/dbraw/zinc/38/57/14/211385714.db2.gz MLVCEWBLMXMCLO-UHFFFAOYSA-N -1 0 390.848 3.452 50 10 GGCARM COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1 ZINC000002998686 220594702 /nfs/dbraw/zinc/59/47/02/220594702.db2.gz NXNACGQUHGSGII-PDGQHHTCSA-N -1 0 393.395 3.271 50 10 GGCARM COc1cccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000002892678 136193614 /nfs/dbraw/zinc/19/36/14/136193614.db2.gz RFPPXRGJPBUFPI-GDNBJRDFSA-N -1 0 387.848 3.092 50 10 GGCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1 ZINC000100799564 136195966 /nfs/dbraw/zinc/19/59/66/136195966.db2.gz YXIFHXSSASDIOC-DTQAZKPQSA-N -1 0 396.422 3.251 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(O)cc1 ZINC000001178202 136196110 /nfs/dbraw/zinc/19/61/10/136196110.db2.gz VRLOYLVADJJYMF-KPKJPENVSA-N -1 0 377.183 3.365 50 10 GGCARM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(F)cc1 ZINC000001203356 136196159 /nfs/dbraw/zinc/19/61/59/136196159.db2.gz VOXSUKBPNPIKSG-RIYZIHGNSA-N -1 0 389.180 3.255 50 10 GGCARM Cc1cc(N2C(=O)[N-]C(=O)C(=Cc3ccco3)C2=O)ccc1Br ZINC000001211619 136196186 /nfs/dbraw/zinc/19/61/86/136196186.db2.gz ZFAJCBMDDYZFHI-XYOKQWHBSA-N -1 0 375.178 3.017 50 10 GGCARM Cc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(Br)c3)C2=O)o1 ZINC000001203851 136196296 /nfs/dbraw/zinc/19/62/96/136196296.db2.gz KPWDMGLNXXYZBJ-MDWZMJQESA-N -1 0 375.178 3.017 50 10 GGCARM Cc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)o1 ZINC000002930388 136196467 /nfs/dbraw/zinc/19/64/67/136196467.db2.gz DVWXIWVAMHBWGQ-MDWZMJQESA-N -1 0 391.246 3.182 50 10 GGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c(OC)c1 ZINC000004819490 136196733 /nfs/dbraw/zinc/19/67/33/136196733.db2.gz QWRGZMJNSGIZII-OQLLNIDSSA-N -1 0 397.343 3.119 50 10 GGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(OC)c1OC ZINC000013765356 136201408 /nfs/dbraw/zinc/20/14/08/136201408.db2.gz FHWXBZMNZBKKOL-KAMYIIQDSA-N -1 0 382.372 3.219 50 10 GGCARM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3CC)C2=O)ccc1O ZINC000004724397 535659438 /nfs/dbraw/zinc/65/94/38/535659438.db2.gz OKPNBCMBWTUNIO-PTNGSMBKSA-N -1 0 380.400 3.020 50 10 GGCARM Nc1c(Cl)cc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1Br ZINC000000712117 564179775 /nfs/dbraw/zinc/17/97/75/564179775.db2.gz IPMSYGCIGSFSII-UHFFFAOYSA-N -1 0 395.596 3.184 50 10 GGCARM CCOc1ccc(/C=C2\SC(=S)N([C@H](CC)C(=O)[O-])C2=O)cc1OC ZINC000001299037 564184951 /nfs/dbraw/zinc/18/49/51/564184951.db2.gz JLTUQRNYSCUPSV-RLIURORJSA-N -1 0 381.475 3.158 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccccc1Br ZINC000004704719 564205925 /nfs/dbraw/zinc/20/59/25/564205925.db2.gz QJCRJSSAEZJLPD-UKTHLTGXSA-N -1 0 389.180 3.255 50 10 GGCARM Cc1cc([O-])c(Sc2nc[nH]n2)cc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000004735772 564206131 /nfs/dbraw/zinc/20/61/31/564206131.db2.gz ZERINNQYDAONIS-UHFFFAOYSA-N -1 0 396.881 3.424 50 10 GGCARM Cc1ccc(S(=O)(=O)[N-]N2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 ZINC000005004807 564210810 /nfs/dbraw/zinc/21/08/10/564210810.db2.gz FEFIBWBSMBJQSW-RVDMUPIBSA-N -1 0 390.511 3.090 50 10 GGCARM Cc1ccc(S(=O)(=O)[N-]N2C(=O)/C(=C/c3cccs3)SC2=S)cc1 ZINC000005501523 564216264 /nfs/dbraw/zinc/21/62/64/564216264.db2.gz YPWLBUPPYWZWNP-LCYFTJDESA-N -1 0 396.540 3.151 50 10 GGCARM CCOc1ccc(/C=C2/SC(=S)N([C@@H](CC)C(=O)[O-])C2=O)cc1OC ZINC000032694324 564404797 /nfs/dbraw/zinc/40/47/97/564404797.db2.gz JLTUQRNYSCUPSV-LUHPIMIVSA-N -1 0 381.475 3.158 50 10 GGCARM COc1ccc2c(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)c(C)n(C)c2c1 ZINC000011615982 570236529 /nfs/dbraw/zinc/23/65/29/570236529.db2.gz CJLPERSYDHXVLH-DHDCSXOGSA-N -1 0 390.486 3.171 50 10 GGCARM Cc1cc(N2CCOCC2)ccc1C=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000001130854 570245573 /nfs/dbraw/zinc/24/55/73/570245573.db2.gz VCHVHFKLBMETMC-XMHGGMMESA-N -1 0 391.427 3.338 50 10 GGCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000005694984 570273188 /nfs/dbraw/zinc/27/31/88/570273188.db2.gz AMJBIUKXOQTZER-NBVRZTHBSA-N -1 0 378.432 3.112 50 10 GGCARM O=C1[N-]C(=O)N(c2ccccc2F)C(=O)/C1=C/c1cccn1-c1ccccc1 ZINC000002981845 570322119 /nfs/dbraw/zinc/32/21/19/570322119.db2.gz DBWCHSFRDLTFQJ-DTQAZKPQSA-N -1 0 375.359 3.283 50 10 GGCARM Nc1c(S(=O)(=O)[O-])cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O ZINC000004016164 570354449 /nfs/dbraw/zinc/35/44/49/570354449.db2.gz OPBOOIFXQHPAPJ-UHFFFAOYSA-N -1 0 394.408 3.035 50 10 in-vivo GGCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCCC2)o1 ZINC000004456081 570375736 /nfs/dbraw/zinc/37/57/36/570375736.db2.gz ITORUNOZRUDVHM-SSZFMOIBSA-N -1 0 381.457 3.101 50 10 GGCARM CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC(=O)[O-] ZINC000004602998 570387036 /nfs/dbraw/zinc/38/70/36/570387036.db2.gz YQISAUNAYCDUSG-GZTJUZNOSA-N -1 0 380.400 3.355 50 10 GGCARM COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000004614208 570387636 /nfs/dbraw/zinc/38/76/36/570387636.db2.gz ITTIIEUOMHMQAO-VXGBXAGGSA-N -1 0 377.462 3.409 50 10 GGCARM CCC(=O)N[C@H](c1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])c2cccnc2c1[O-] ZINC000004684860 570392937 /nfs/dbraw/zinc/39/29/37/570392937.db2.gz LGLBDNWWHTYSRM-GOSISDBHSA-N -1 0 395.371 3.193 50 10 GGCARM CCOc1ccc(OCC)c(N2C(=O)[N-]C(=O)C(=Cc3cccs3)C2=O)c1 ZINC000004704515 570395746 /nfs/dbraw/zinc/39/57/46/570395746.db2.gz MNKRUPRHQSKZBO-KAMYIIQDSA-N -1 0 386.429 3.212 50 10 GGCARM Cc1ccccc1N1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)C(=O)[N-]C1=S ZINC000004738857 570400401 /nfs/dbraw/zinc/40/04/01/570400401.db2.gz BMUQAKAXUVONMI-JXAWBTAJSA-N -1 0 391.496 3.427 50 10 GGCARM Cc1cccc(N2[N-]C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000004919204 570418325 /nfs/dbraw/zinc/41/83/25/570418325.db2.gz UORUJYYJVSEXMB-UYRXBGFRSA-N -1 0 388.383 3.155 50 10 GGCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(N3CCCCC3)o2)C1=O ZINC000006238464 570473522 /nfs/dbraw/zinc/47/35/22/570473522.db2.gz AOAPJLCUCSHKBA-SSZFMOIBSA-N -1 0 379.416 3.245 50 10 GGCARM COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](C(=O)[O-])N2 ZINC000169300034 570477805 /nfs/dbraw/zinc/47/78/05/570477805.db2.gz RYNSFZVUENDLBC-LPMFXHHGSA-N -1 0 393.395 3.231 50 10 GGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c(C)n(C)c4ccccc34)C2=O)cc1 ZINC000002982425 570525072 /nfs/dbraw/zinc/52/50/72/570525072.db2.gz ORSJRNLLRPZMBT-PDGQHHTCSA-N -1 0 389.411 3.162 50 10 GGCARM O=C1[N-]C(=O)C(=Cc2cn(CCOc3ccccc3F)c3ccccc23)C(=O)N1 ZINC000002993945 570526819 /nfs/dbraw/zinc/52/68/19/570526819.db2.gz QUKYRWDUCBZBKB-UHFFFAOYSA-N -1 0 393.374 3.449 50 10 GGCARM COc1ccccc1-n1c(C)cc(C(=O)N[C@@H](CCSC)C(=O)[O-])c1C ZINC000005245807 570526967 /nfs/dbraw/zinc/52/69/67/570526967.db2.gz QIXZUVGJBAELHS-HNNXBMFYSA-N -1 0 376.478 3.039 50 10 GGCARM COc1ccc(-n2cccc2C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000008970017 570545043 /nfs/dbraw/zinc/54/50/43/570545043.db2.gz KHXSUZWPWKKZPQ-XMHGGMMESA-N -1 0 387.395 3.357 50 10 GGCARM Cc1ccc(Cn2cccc2/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1 ZINC000013689131 570668658 /nfs/dbraw/zinc/66/86/58/570668658.db2.gz FXGKMRKANULZKV-UNOMPAQXSA-N -1 0 389.411 3.100 50 10 GGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccccc3)C2=O)cc1 ZINC000001184254 570792051 /nfs/dbraw/zinc/79/20/51/570792051.db2.gz YLOKOPMBIMXSOX-XMHGGMMESA-N -1 0 387.395 3.152 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(N2CCCC2)o1 ZINC000004703299 570854091 /nfs/dbraw/zinc/85/40/91/570854091.db2.gz GEFAKOINLUQPLO-RVDMUPIBSA-N -1 0 385.807 3.200 50 10 GGCARM COc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1O ZINC000004704219 570854949 /nfs/dbraw/zinc/85/49/49/570854949.db2.gz LSFKGFHHPKIFCD-QPEQYQDCSA-N -1 0 386.791 3.029 50 10 GGCARM COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1 ZINC000003463333 570870716 /nfs/dbraw/zinc/87/07/16/570870716.db2.gz MEBUFLSHFFZKSW-WQRHYEAKSA-N -1 0 393.395 3.271 50 10 GGCARM Cn1cc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)c2ccccc21 ZINC000015162109 570882844 /nfs/dbraw/zinc/88/28/44/570882844.db2.gz GXLKPZIEYHIDMS-GXDHUFHOSA-N -1 0 379.803 3.498 50 10 GGCARM COc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc4ccccc4c3)C2=O)cc1 ZINC000104796387 570905432 /nfs/dbraw/zinc/90/54/32/570905432.db2.gz ZZTNVGMHIFNQLW-CPNJWEJPSA-N -1 0 387.395 3.427 50 10 GGCARM COc1cc(OC)c(C=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(OC)c1 ZINC000015659228 571038413 /nfs/dbraw/zinc/03/84/13/571038413.db2.gz VODXZCQLGLRIRA-RVDMUPIBSA-N -1 0 382.372 3.219 50 10 GGCARM CCN(CC)c1ccc(/C=C2\C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000001233258 1398302583 /nfs/dbraw/zinc/30/25/83/1398302583.db2.gz MLWDZGXOCWXUDU-XMHGGMMESA-N -1 0 377.444 3.195 50 10 GGCARM O=C([O-])c1ccc(NC(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 ZINC000002451187 1398311570 /nfs/dbraw/zinc/31/15/70/1398311570.db2.gz ACHOJERKJSGSAZ-GDNBJRDFSA-N -1 0 398.465 3.225 50 10 GGCARM CCOc1ccc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c(OCC)c1 ZINC000002855389 1398320545 /nfs/dbraw/zinc/32/05/45/1398320545.db2.gz LFANURUBTOTLQM-SFQUDFHCSA-N -1 0 396.468 3.315 50 10 GGCARM Cc1cc([N+](=O)[O-])c(-c2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)cc1Cl ZINC000003043207 1398325919 /nfs/dbraw/zinc/32/59/19/1398325919.db2.gz OQYMTBSRWWCGHC-UHFFFAOYSA-N -1 0 375.724 3.406 50 10 GGCARM CC(C)[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc3c(c2)CCCN3C)SC1=S ZINC000009422508 1398858389 /nfs/dbraw/zinc/85/83/89/1398858389.db2.gz ROGUVRMFTXAKFO-KMPOOHAWSA-N -1 0 390.530 3.379 50 10 GGCARM COc1ccc(OC)c(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C(C)C)cc3)C2=O)c1 ZINC000012382983 1399040782 /nfs/dbraw/zinc/04/07/82/1399040782.db2.gz REOWMUIREMRCOU-PDGQHHTCSA-N -1 0 394.427 3.494 50 10 GGCARM Cn1cccc1/C=C1/C(=O)[N-]C(=S)N(c2cccc(Cl)c2Cl)C1=O ZINC000016193539 1399220477 /nfs/dbraw/zinc/22/04/77/1399220477.db2.gz BAJQAUSPQIFVPY-NTMALXAHSA-N -1 0 380.256 3.163 50 10 GGCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S ZINC000001916913 212260489 /nfs/dbraw/zinc/26/04/89/212260489.db2.gz BTMKCKKXXVOQFP-RAXLEYEMSA-N -1 0 380.447 3.441 50 10 GGCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])SC1=S ZINC000001916911 212260303 /nfs/dbraw/zinc/26/03/03/212260303.db2.gz BTMKCKKXXVOQFP-JLHYYAGUSA-N -1 0 380.447 3.441 50 10 GGCARM COc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)c(OC)c1 ZINC000001800922 212257111 /nfs/dbraw/zinc/25/71/11/212257111.db2.gz PCHKVMPCCBNGES-SVSAJMPUSA-N -1 0 381.475 3.014 50 10 GGCARM O=C([O-])CCCCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000001765993 212256069 /nfs/dbraw/zinc/25/60/69/212256069.db2.gz AKXUDAFIAPJMTD-RAXLEYEMSA-N -1 0 380.447 3.441 50 10 GGCARM CCOc1ccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)cc1OC ZINC000001236795 212232169 /nfs/dbraw/zinc/23/21/69/212232169.db2.gz FPEZMCUEHIOQSA-HNRFISLBSA-N -1 0 395.502 3.404 50 10 GGCARM CN1C(=O)/C(=C2\SC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c2ccccc21 ZINC000001225516 212231182 /nfs/dbraw/zinc/23/11/82/212231182.db2.gz OOVBHEANFPMQHV-PFONDFGASA-N -1 0 396.449 3.137 50 10 GGCARM Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3Cl)OCO4)C2=O)c1 ZINC000001192787 212227161 /nfs/dbraw/zinc/22/71/61/212227161.db2.gz FHZTVUXBIHOFJK-AWNIVKPZSA-N -1 0 384.775 3.044 50 10 GGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3Cl)OCO4)C2=O)cc1C ZINC000001186228 212226774 /nfs/dbraw/zinc/22/67/74/212226774.db2.gz ZFYPTFMLOPEREI-MKMNVTDBSA-N -1 0 398.802 3.352 50 10 GGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCC4)o3)C2=O)cc1C ZINC000001101501 212216766 /nfs/dbraw/zinc/21/67/66/212216766.db2.gz UEHPOAUBEKRLNP-SFQUDFHCSA-N -1 0 379.416 3.163 50 10 GGCARM CC(=O)n1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccccc3)C2=O)c2ccccc21 ZINC000001057827 212211248 /nfs/dbraw/zinc/21/12/48/212211248.db2.gz IXAPDAFCEZGBHW-GZTJUZNOSA-N -1 0 389.436 3.133 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(N2CCCC2)o1 ZINC000001053377 212210934 /nfs/dbraw/zinc/21/09/34/212210934.db2.gz AKOJYKJGTDIWTK-GXDHUFHOSA-N -1 0 395.371 3.115 50 10 GGCARM COc1c(Cl)cc(Cl)cc1/C=C1\SC(=S)N(CC(=O)[O-])C1=O ZINC000001022594 212206372 /nfs/dbraw/zinc/20/63/72/212206372.db2.gz SYJWRERKFMQFGQ-OQFOIZHKSA-N -1 0 378.258 3.288 50 10 GGCARM Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(=O)[N-]C2=S)c1 ZINC000000631884 212167422 /nfs/dbraw/zinc/16/74/22/212167422.db2.gz JTCJZNBWOCGBQK-GHRIWEEISA-N -1 0 395.484 3.410 50 10 GGCARM COc1ccc(OC)c(-c2cc3ccc([O-])c(CN4CCOCC4)c3oc2=O)c1 ZINC000020612232 212151158 /nfs/dbraw/zinc/15/11/58/212151158.db2.gz RCYFBQKKSAQYQT-UHFFFAOYSA-N -1 0 397.427 3.015 50 10 biogenic GGCARM COc1ccc(-c2cc3ccc([O-])c(CN4CCOCC4)c3oc2=O)c(OC)c1 ZINC000020612251 212151013 /nfs/dbraw/zinc/15/10/13/212151013.db2.gz LPENLMIBMDGUOZ-UHFFFAOYSA-N -1 0 397.427 3.015 50 10 biogenic GGCARM COc1cc(/C=C2/C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)cc(OC)c1OC ZINC000005046684 212146389 /nfs/dbraw/zinc/14/63/89/212146389.db2.gz DCWRBMYEOQXBME-CXUHLZMHSA-N -1 0 396.399 3.217 50 10 GGCARM COc1ccc(N2C(=O)[N-]C(=S)C(=Cc3ccc4c(c3)OCO4)C2=O)cc1 ZINC000033337337 212111204 /nfs/dbraw/zinc/11/12/04/212111204.db2.gz QOYCBVNXEHYJQW-RIYZIHGNSA-N -1 0 382.397 3.096 50 10 GGCARM COC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])C[C@@H](C)CC2 ZINC000017077606 212110499 /nfs/dbraw/zinc/11/04/99/212110499.db2.gz XRPSRZRVUHRTKN-QJPTWQEYSA-N -1 0 379.478 3.489 50 10 GGCARM COC(=O)c1c(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000004178574 220690581 /nfs/dbraw/zinc/69/05/81/220690581.db2.gz QNCPGOIWERLDBR-PKIAMQTDSA-N -1 0 389.473 3.265 50 10 GGCARM CCN1C(=O)C(=Cc2ccc(-c3ccccc3C(=O)[O-])o2)C(=O)N(CC)C1=S ZINC000004746587 220759897 /nfs/dbraw/zinc/75/98/97/220759897.db2.gz QYEUOBKCCPTGPT-UHFFFAOYSA-N -1 0 398.440 3.024 50 10 GGCARM COc1ccc(S(=O)(=O)[N-]c2sc3c(c2C(N)=O)CCCCCC3)cc1 ZINC000005392680 220865715 /nfs/dbraw/zinc/86/57/15/220865715.db2.gz LGWMXHLPQXOYDQ-UHFFFAOYSA-N -1 0 394.518 3.315 50 10 GGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(O)c(O)c3)C2=O)cc1Cl ZINC000008739934 221053793 /nfs/dbraw/zinc/05/37/93/221053793.db2.gz KJPBKCFNMUBLNM-WDZFZDKYSA-N -1 0 388.763 3.267 50 10 GGCARM COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)[N-]N(c3ccccc3)C2=O)o1 ZINC000008743238 221054063 /nfs/dbraw/zinc/05/40/63/221054063.db2.gz QPFLTZCGVWDHJN-QGOAFFKASA-N -1 0 388.379 3.195 50 10 GGCARM O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)C1=Cc1ccc(N2CCCCC2)o1 ZINC000008768272 221057180 /nfs/dbraw/zinc/05/71/80/221057180.db2.gz BVSMRMCCXHISRD-VBKFSLOCSA-N -1 0 383.379 3.280 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1coc2ccccc2c1=O ZINC000009357955 221078991 /nfs/dbraw/zinc/07/89/91/221078991.db2.gz ZUEIYSISHUSEMB-DHDCSXOGSA-N -1 0 394.770 3.113 50 10 GGCARM Cc1cc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc2c1O[C@@H](C)C2 ZINC000012062566 221146975 /nfs/dbraw/zinc/14/69/75/221146975.db2.gz HLUARHNHXQOLRG-HOXUKUGESA-N -1 0 377.487 3.384 50 10 GGCARM Cc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Br)cc3)C2=O)o1 ZINC000012363802 221184583 /nfs/dbraw/zinc/18/45/83/221184583.db2.gz DVWXIWVAMHBWGQ-JYRVWZFOSA-N -1 0 391.246 3.182 50 10 GGCARM COc1ccc(/C=C2/C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)cc1Cl ZINC000012364075 221184985 /nfs/dbraw/zinc/18/49/85/221184985.db2.gz MDYKDNBHFSUMEU-ZROIWOOFSA-N -1 0 386.860 3.488 50 10 GGCARM COc1cccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)c1OC ZINC000012438406 221194968 /nfs/dbraw/zinc/19/49/68/221194968.db2.gz PJEKOILLZDITLD-RPHSKFLZSA-N -1 0 381.475 3.014 50 10 GGCARM COc1ccc(OC)c(/C=C2/SC(=S)N([C@H](C(=O)[O-])C(C)C)C2=O)c1 ZINC000012438410 221195213 /nfs/dbraw/zinc/19/52/13/221195213.db2.gz QRPFLBNGSUZPSD-CZAWJFPGSA-N -1 0 381.475 3.014 50 10 GGCARM Cc1cc2oc(=O)cc(C)c2c([O-])c1C1=NN[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000012390045 221188675 /nfs/dbraw/zinc/18/86/75/221188675.db2.gz XKNUSXPXDSTJSA-CYBMUJFWSA-N -1 0 378.384 3.283 50 10 GGCARM Cc1cc(C)c(S(=O)(=O)Nc2ccc([O-])c(Sc3nc[nH]n3)c2)c(C)c1 ZINC000013116653 221262042 /nfs/dbraw/zinc/26/20/42/221262042.db2.gz UJLQVWZVDZIKMB-UHFFFAOYSA-N -1 0 390.490 3.388 50 10 GGCARM Cc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C2=O)o1 ZINC000013766326 221288382 /nfs/dbraw/zinc/28/83/82/221288382.db2.gz PNLSSMXWJHOOTL-JYRVWZFOSA-N -1 0 375.178 3.017 50 10 GGCARM CCOc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(CC)cc3)C2=O)ccc1O ZINC000013685354 221281102 /nfs/dbraw/zinc/28/11/02/221281102.db2.gz UUMAKVHIVGXRNI-WJDWOHSUSA-N -1 0 380.400 3.020 50 10 GGCARM Cc1ccccc1Cn1cccc1/C=C1/C(=O)[N-]C(=O)N(Cc2ccco2)C1=O ZINC000013689019 221281262 /nfs/dbraw/zinc/28/12/62/221281262.db2.gz LIZGTYWOOGITSX-UNOMPAQXSA-N -1 0 389.411 3.100 50 10 GGCARM O=C1NC(=S)S/C1=C\c1cc(Br)cc(Br)c1[O-] ZINC000013739374 221286729 /nfs/dbraw/zinc/28/67/29/221286729.db2.gz SZLSVNNBEXCILG-UQCOIBPSSA-N -1 0 395.097 3.406 50 10 GGCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc(F)cc1 ZINC000013894065 221293247 /nfs/dbraw/zinc/29/32/47/221293247.db2.gz PHUKAJCUPGNXJY-AQTBWJFISA-N -1 0 391.427 3.448 50 10 GGCARM CCOc1ccc(/C=C2/C(=O)[N-]C(=O)N(c3ccccc3F)C2=O)cc1OCC ZINC000015822929 221345592 /nfs/dbraw/zinc/34/55/92/221345592.db2.gz SWPPDSYECWIGDL-KAMYIIQDSA-N -1 0 398.390 3.290 50 10 GGCARM COC(=O)c1cccc(-c2ccc(/C=C3/C(=O)[N-]N(c4ccccc4)C3=O)o2)c1 ZINC000017146065 221379373 /nfs/dbraw/zinc/37/93/73/221379373.db2.gz MKSPFNHAZWNGBZ-AQTBWJFISA-N -1 0 388.379 3.195 50 10 GGCARM O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000017197038 221380737 /nfs/dbraw/zinc/38/07/37/221380737.db2.gz JNAJHRHNKANSAG-UHFFFAOYSA-N -1 0 377.765 3.263 50 10 GGCARM CCCCN1C(=O)C(=CNc2ccc(N3CCCCC3)cc2)C(=O)NC1=S ZINC000017207330 221380820 /nfs/dbraw/zinc/38/08/20/221380820.db2.gz PCNAAEBZVZZZGE-SAPNQHFASA-N -1 0 386.521 3.016 50 10 GGCARM COc1ccc(OC)c(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccccc34)C2=O)c1 ZINC000017723314 221385331 /nfs/dbraw/zinc/38/53/31/221385331.db2.gz VQWOIUNRBXMAHI-OQLLNIDSSA-N -1 0 391.383 3.056 50 10 GGCARM CCOC(=O)c1c(C)oc2cc(Br)c([O-])c(CN3CCOCC3)c21 ZINC000019790742 221454380 /nfs/dbraw/zinc/45/43/80/221454380.db2.gz SAQLRJXIHYRLEO-UHFFFAOYSA-N -1 0 398.253 3.218 50 10 GGCARM CCN(CC)c1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000096449826 136187052 /nfs/dbraw/zinc/18/70/52/136187052.db2.gz KYSWIOKGVUYIDY-RGEXLXHISA-N -1 0 392.459 3.420 50 10 GGCARM Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)C(=O)[N-]C2=S)c(C)c1 ZINC000001219790 136196177 /nfs/dbraw/zinc/19/61/77/136196177.db2.gz XKQDOIQDCINBHT-MDWZMJQESA-N -1 0 386.860 3.494 50 10 GGCARM O=C1[N-]C(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(O)c(Cl)c1 ZINC000001173885 136196260 /nfs/dbraw/zinc/19/62/60/136196260.db2.gz VAMWTLAHBKAGEC-JXMROGBWSA-N -1 0 376.796 3.016 50 10 GGCARM O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 ZINC000001176636 136196275 /nfs/dbraw/zinc/19/62/75/136196275.db2.gz ITORUNOZRUDVHM-DTQAZKPQSA-N -1 0 381.457 3.101 50 10 GGCARM O=C1[N-]C(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(O)c(Cl)c1 ZINC000004725033 136196611 /nfs/dbraw/zinc/19/66/11/136196611.db2.gz NAOHXCJCZOBATI-JXMROGBWSA-N -1 0 377.183 3.365 50 10 GGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000004819608 136196755 /nfs/dbraw/zinc/19/67/55/136196755.db2.gz BAFDVSVWOKWOPJ-NTEUORMPSA-N -1 0 397.343 3.119 50 10 GGCARM COc1ccc(N(CC(=O)[O-])CC(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000034926486 221811385 /nfs/dbraw/zinc/81/13/85/221811385.db2.gz ORXJCMHSDJTIBU-UHFFFAOYSA-N -1 0 397.258 3.209 50 10 GGCARM COc1ccc(C2=NN(C(=O)/C=C\C(=O)[O-])[C@H](c3cc(C)ccc3O)C2)cc1 ZINC000080316282 222306562 /nfs/dbraw/zinc/30/65/62/222306562.db2.gz DEQIHDAZIMHIAM-LPADLIQXSA-N -1 0 380.400 3.028 50 10 GGCARM COc1cc(/C=C2\SC(=S)N([C@@H](C)C(=O)[O-])C2=O)ccc1OC(C)C ZINC000001281952 564184621 /nfs/dbraw/zinc/18/46/21/564184621.db2.gz GOBUWNHWWXAYBO-WULZRQGASA-N -1 0 381.475 3.157 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc3c(c2)OCO3)C(=O)C1=Cc1ccc(Cl)s1 ZINC000002379234 564187275 /nfs/dbraw/zinc/18/72/75/564187275.db2.gz PCYFYTIQIHWOLL-UXBLZVDNSA-N -1 0 376.777 3.001 50 10 GGCARM O=C1/C(=C/c2ccc(Cl)c(Cl)c2)SC(=S)N1CCS(=O)(=O)[O-] ZINC000002682499 564189826 /nfs/dbraw/zinc/18/98/26/564189826.db2.gz ZRUKJLTVESYRFB-POHAHGRESA-N -1 0 398.314 3.082 50 10 GGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Br)cc3)C2=O)cc1 ZINC000002854854 564191239 /nfs/dbraw/zinc/19/12/39/564191239.db2.gz NWCJDGKOWKEFCQ-XNTDXEJSSA-N -1 0 385.217 3.424 50 10 GGCARM CCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cccc(OC)c2OC)SC1=S ZINC000004356852 564202849 /nfs/dbraw/zinc/20/28/49/564202849.db2.gz RMTBGGGXDKGXOC-NASPGAHYSA-N -1 0 381.475 3.158 50 10 GGCARM Cc1ccc(N2[N-]C(=O)/C(=C/c3cc(Br)ccc3O)C2=O)cc1C ZINC000004460728 564203456 /nfs/dbraw/zinc/20/34/56/564203456.db2.gz DJNMRYXILIOFKU-DHDCSXOGSA-N -1 0 387.233 3.233 50 10 GGCARM O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(O)c(Cl)c1 ZINC000004551292 564204292 /nfs/dbraw/zinc/20/42/92/564204292.db2.gz CCOGCXPBPZHPKX-GHXNOFRVSA-N -1 0 376.796 3.016 50 10 GGCARM Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(Br)cs2)C1=O ZINC000004739693 564206074 /nfs/dbraw/zinc/20/60/74/564206074.db2.gz BXYQDURNXSECOF-KPKJPENVSA-N -1 0 391.246 3.485 50 10 GGCARM O=C1[N-]C(=O)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccsc1 ZINC000004703279 564206557 /nfs/dbraw/zinc/20/65/57/564206557.db2.gz RJGKMSIQAPIBBF-SDQBBNPISA-N -1 0 377.219 3.177 50 10 GGCARM O=C([N-]N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S)c1cccs1 ZINC000006926695 564230356 /nfs/dbraw/zinc/23/03/56/564230356.db2.gz ALTNZLFUQXJIDZ-XYOKQWHBSA-N -1 0 391.455 3.203 50 10 GGCARM COc1ccc(/C=C2/SC(=S)N([C@@H](C(=O)[O-])C(C)C)C2=O)cc1OC ZINC000026771412 564349567 /nfs/dbraw/zinc/34/95/67/564349567.db2.gz YDVPRMBLLFDXSB-MAUPQMMJSA-N -1 0 381.475 3.014 50 10 GGCARM CCOc1ccc(/C=C2/SC(=S)N([C@H](CC)C(=O)[O-])C2=O)cc1OC ZINC000032694325 564404071 /nfs/dbraw/zinc/40/40/71/564404071.db2.gz JLTUQRNYSCUPSV-ZECSTPGPSA-N -1 0 381.475 3.158 50 10 GGCARM CCOC(=O)c1cnc2c(N=Nc3cccc(C(F)(F)F)c3)c(=O)[n-]n2c1N ZINC000097944949 570261226 /nfs/dbraw/zinc/26/12/26/570261226.db2.gz HQMYQMGYTKGPRI-GHVJWSGMSA-N -1 0 394.313 3.216 50 10 GGCARM O=C1[N-]C(=O)N(CCc2ccc(F)cc2)C(=O)C1=CNc1ccccc1Cl ZINC000100401547 570271829 /nfs/dbraw/zinc/27/18/29/570271829.db2.gz PQRADICNUFJYMI-KAMYIIQDSA-N -1 0 387.798 3.096 50 10 GGCARM COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(C(=O)[O-])cc1 ZINC000002174151 570277269 /nfs/dbraw/zinc/27/72/69/570277269.db2.gz SQBHNUUENMVFIU-BOPFTXTBSA-N -1 0 381.359 3.401 50 10 GGCARM O=C([O-])CN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S ZINC000002412589 570286189 /nfs/dbraw/zinc/28/61/89/570286189.db2.gz AMZBKKRYLLGDIF-QPEQYQDCSA-N -1 0 390.398 3.141 50 10 GGCARM CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)c(OC)c1 ZINC000000665204 570286707 /nfs/dbraw/zinc/28/67/07/570286707.db2.gz QKOUEYHJUZNYFQ-AQTBWJFISA-N -1 0 399.491 3.336 50 10 GGCARM Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 ZINC000002594524 570291924 /nfs/dbraw/zinc/29/19/24/570291924.db2.gz QDDFYLVPAQGIBI-AWNIVKPZSA-N -1 0 384.775 3.248 50 10 GGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3cc(Cl)ccc3C)C2=O)cc1 ZINC000006234072 570346109 /nfs/dbraw/zinc/34/61/09/570346109.db2.gz NRSFJXMXCFDMRP-GDNBJRDFSA-N -1 0 385.807 3.236 50 10 GGCARM CC(=O)NC1=NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)S1 ZINC000003765362 570350724 /nfs/dbraw/zinc/35/07/24/570350724.db2.gz LREMFNAOSDZKAP-AUWJEWJLSA-N -1 0 390.804 3.405 50 10 GGCARM O=C1[N-]C(=O)C(=Cc2ccccc2Oc2cccc(C(F)(F)F)c2)C(=O)N1 ZINC000004050236 570355634 /nfs/dbraw/zinc/35/56/34/570355634.db2.gz CJAUKEOBXGLFNO-UHFFFAOYSA-N -1 0 376.290 3.247 50 10 GGCARM CCn1cc(/C=C2\C(=O)[N-]C(=O)N(c3cccc(F)c3)C2=O)c2ccccc21 ZINC000004091825 570357004 /nfs/dbraw/zinc/35/70/04/570357004.db2.gz KOMJZWCFJOJZII-LICLKQGHSA-N -1 0 377.375 3.467 50 10 GGCARM COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3-c3ccccc3)C2=O)cc1 ZINC000004703287 570395324 /nfs/dbraw/zinc/39/53/24/570395324.db2.gz YLOKOPMBIMXSOX-RGEXLXHISA-N -1 0 387.395 3.152 50 10 GGCARM COc1cccc(/C=C2\C(=O)[N-]C(=O)N(c3ccccc3Cl)C2=O)c1OC ZINC000004703314 570395376 /nfs/dbraw/zinc/39/53/76/570395376.db2.gz WRWDHQCGQAVXQM-ZRDIBKRKSA-N -1 0 386.791 3.024 50 10 GGCARM COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CC[C@H](C)C2 ZINC000005021135 570424639 /nfs/dbraw/zinc/42/46/39/570424639.db2.gz JPHYGCWJMAFAHY-TUAOUCFPSA-N -1 0 377.462 3.265 50 10 GGCARM COC(=O)c1c2c(sc1NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-])CCC2 ZINC000002801618 570516834 /nfs/dbraw/zinc/51/68/34/570516834.db2.gz KAUAXXYGEUBGJP-STQMWFEESA-N -1 0 377.462 3.409 50 10 GGCARM O=C1[N-]C(=O)C(=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1 ZINC000002905095 570521707 /nfs/dbraw/zinc/52/17/07/570521707.db2.gz ZQLDJRQARHPFFV-UHFFFAOYSA-N -1 0 379.803 3.092 50 10 biogenic GGCARM COc1cccc2ccc(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)nc21 ZINC000006661009 570524730 /nfs/dbraw/zinc/52/47/30/570524730.db2.gz KBLWZOVYGKTUSO-UVTDQMKNSA-N -1 0 388.470 3.309 50 10 GGCARM COc1ccc2nc(/C=C3\SC(=S)N(CCCC(=O)[O-])C3=O)ccc2c1 ZINC000006661013 570524848 /nfs/dbraw/zinc/52/48/48/570524848.db2.gz DJXQYTYNKOVVEV-GDNBJRDFSA-N -1 0 388.470 3.309 50 10 GGCARM COc1cc([N+](=O)[O-])cc([C@@H]2Nc3sc4c(c3C(=O)N2)CCCC4)c1[O-] ZINC000035531423 570554098 /nfs/dbraw/zinc/55/40/98/570554098.db2.gz GNBIGQZHINTSRN-HNNXBMFYSA-N -1 0 375.406 3.103 50 10 GGCARM COc1cc([N+](=O)[O-])cc([C@H]2Nc3sc4c(c3C(=O)N2)CCCC4)c1[O-] ZINC000035531425 570554174 /nfs/dbraw/zinc/55/41/74/570554174.db2.gz GNBIGQZHINTSRN-OAHLLOKOSA-N -1 0 375.406 3.103 50 10 GGCARM CCOc1ccc(NC=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000005332906 570556233 /nfs/dbraw/zinc/55/62/33/570556233.db2.gz VFSCLQJXVHXUKQ-WJDWOHSUSA-N -1 0 385.807 3.318 50 10 GGCARM O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=CNc1ccccc1N1CCCC1 ZINC000005484310 570612443 /nfs/dbraw/zinc/61/24/43/570612443.db2.gz QMFFTQBCNJIWDR-DTQAZKPQSA-N -1 0 394.406 3.005 50 10 aggregator GGCARM COCC1=NN(c2ccccc2)C(=O)C1=Cc1c(C)[n-]n(-c2ccccc2)c1=O ZINC000005576012 570659336 /nfs/dbraw/zinc/65/93/36/570659336.db2.gz BLBJXRFPLLEOLV-CPNJWEJPSA-N -1 0 388.427 3.319 50 10 GGCARM CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCC2 ZINC000005796936 570691751 /nfs/dbraw/zinc/69/17/51/570691751.db2.gz BBKAPCZYSBOVHW-VXGBXAGGSA-N -1 0 377.462 3.409 50 10 GGCARM Cc1cc(C)c(N2C(=O)C(=CNCc3ccccc3)C(=O)[N-]C2=S)c(C)c1 ZINC000005885990 570801370 /nfs/dbraw/zinc/80/13/70/570801370.db2.gz RYULGKOGIBRSME-ATVHPVEESA-N -1 0 379.485 3.033 50 10 GGCARM O=C1[N-]C(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 ZINC000004682277 570828995 /nfs/dbraw/zinc/82/89/95/570828995.db2.gz SVSLBUMCDQBLDE-MHWRWJLKSA-N -1 0 377.331 3.147 50 10 GGCARM CCOc1ccc2ccccc2c1/C=C1/C(=O)[N-]C(=O)N(Cc2ccco2)C1=O ZINC000004700142 570844011 /nfs/dbraw/zinc/84/40/11/570844011.db2.gz SUEDETBJNDYYLO-PDGQHHTCSA-N -1 0 390.395 3.494 50 10 GGCARM O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc3c(c2)OCCO3)SC1=S ZINC000003532593 570874460 /nfs/dbraw/zinc/87/44/60/570874460.db2.gz VYKVCYQAQFFIGH-RVDMUPIBSA-N -1 0 393.486 3.304 50 10 GGCARM CCN(CC)c1ccc(/C=C2/C(=O)[N-]C(=O)N(c3cccc(OC)c3)C2=O)cc1 ZINC000015659277 570901114 /nfs/dbraw/zinc/90/11/14/570901114.db2.gz XALPCORFOFHFMD-UYRXBGFRSA-N -1 0 393.443 3.208 50 10 GGCARM CCCc1cc(=O)oc2c1ccc([O-])c2C[NH2+][C@H](Cc1ccccc1)C(=O)[O-] ZINC000002121312 570956376 /nfs/dbraw/zinc/95/63/76/570956376.db2.gz ANIBAKNMKNJZIG-GOSISDBHSA-N -1 0 381.428 3.237 50 10 biogenic GGCARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cnn(-c2ccccc2)c1 ZINC000001183598 1398301648 /nfs/dbraw/zinc/30/16/48/1398301648.db2.gz YAJORTWBOINIFF-RQZCQDPDSA-N -1 0 392.802 3.192 50 10 GGCARM COc1ccc(CN2C(=O)[N-]C(=O)/C(=C\c3ccc(C(C)C)cc3)C2=O)cc1 ZINC000001197361 1398302188 /nfs/dbraw/zinc/30/21/88/1398302188.db2.gz ZNFAJIUZEZNSIK-XDHOZWIPSA-N -1 0 378.428 3.481 50 10 GGCARM CCOc1cc(/C=C2\C(=O)[N-]C(=O)N(c3c(C)cc(C)cc3C)C2=O)ccc1O ZINC000001228688 1398302546 /nfs/dbraw/zinc/30/25/46/1398302546.db2.gz CWOQUDNMSDQRIM-MHWRWJLKSA-N -1 0 394.427 3.383 50 10 GGCARM CCOc1cc(C=C2C(=O)[N-]C(=O)N(CCc3ccc(F)cc3)C2=O)ccc1O ZINC000002281574 1398306143 /nfs/dbraw/zinc/30/61/43/1398306143.db2.gz SFQOBGJTPXPJNS-LFIBNONCSA-N -1 0 398.390 3.475 50 10 GGCARM O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C\c1cc2c3c(c1)CCCN3CCC2 ZINC000004819385 1398403795 /nfs/dbraw/zinc/40/37/95/1398403795.db2.gz MTTWUATUDGUAMI-RGEXLXHISA-N -1 0 387.439 3.052 50 10 GGCARM COc1cc(C)c(/C=C2/C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)cc1C(C)C ZINC000015800108 1399192814 /nfs/dbraw/zinc/19/28/14/1399192814.db2.gz FWSPPISSUJBEJR-YVLHZVERSA-N -1 0 382.416 3.382 50 10 GGCARM COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1[N+](=O)[O-] ZINC000023549759 1399570011 /nfs/dbraw/zinc/57/00/11/1399570011.db2.gz PIAMPNJGEXRXAN-ZROIWOOFSA-N -1 0 381.344 3.419 50 10 GGCARM CC(=O)Nc1ccc(NC=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)cc1 ZINC000102498672 1410640144 /nfs/dbraw/zinc/64/01/44/1410640144.db2.gz QWEBZKXPKDSEMV-BOPFTXTBSA-N -1 0 394.456 3.108 50 10 GGCARM CC(C)[C@H]1CC(=O)Oc2cc([O-])c3c(=O)c(O)c(-c4ccc(O)c(O)c4)oc3c21 ZINC000217662293 1433364577 /nfs/dbraw/zinc/36/45/77/1433364577.db2.gz JSFBMSDYISFMTG-SNVBAGLBSA-N -1 0 398.367 3.331 50 10 biogenic GGCARM COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c([O-])c4oc32)cc(O)c1O ZINC000217876781 1433364668 /nfs/dbraw/zinc/36/46/68/1433364668.db2.gz HUTAOJHUKDAZMS-UHFFFAOYSA-N -1 0 379.328 3.355 50 10 biogenic GGCARM