smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1c[nH]c2ccccc12 ZINC000004089072 956871374 /nfs/dbraw/zinc/87/13/74/956871374.db2.gz IAEZPMDWRDZQSV-HXUWFJFHSA-N -1 0 375.428 3.394 50 0 biogenic GGAARM Cc1nn2c(nc1=O)-c1ccccc1N[C@@]2(/C=C/c1ccc(Cl)cc1)C(=O)[O-] ZINC000408525826 231050645 /nfs/dbraw/zinc/05/06/45/231050645.db2.gz RWGYGISFIBSWAT-CTDFXDFQSA-N -1 0 394.818 3.143 50 0 GGAARM O=C([O-])c1cnc(-c2cccc(C(=O)N3CCO[C@H](C4CC4)C3)c2)c(Cl)c1 ZINC000426493970 231228843 /nfs/dbraw/zinc/22/88/43/231228843.db2.gz GSMDRDFJEZBAQR-KRWDZBQOSA-N -1 0 386.835 3.351 50 0 GGAARM C[C@@H](O)c1cccc(-c2cccc(C(=O)NC(C)(C)c3n[n-]c(=N)s3)c2)c1 ZINC000426512122 231232426 /nfs/dbraw/zinc/23/24/26/231232426.db2.gz LJVYOKGVQLFEQI-GFCCVEGCSA-N -1 0 382.489 3.336 50 0 GGAARM Cc1nccn1CCC(=O)N1C[C@@H]2C[C@@H](c3ccccc3)CC[C@]2(C(=O)[O-])C1 ZINC000426515441 231234370 /nfs/dbraw/zinc/23/43/70/231234370.db2.gz AAAFRYVDAPTCTC-IPJJNNNSSA-N -1 0 381.476 3.079 50 0 GGAARM COc1ccc([C@H]2CC(c3c([O-])cc(C)oc3=O)=NCCS2)c(OC)c1 ZINC000005441571 203826021 /nfs/dbraw/zinc/82/60/21/203826021.db2.gz NHFIAAAMCYVRIW-QGZVFWFLSA-N -1 0 375.446 3.338 50 0 in-vitro GGAARM COc1ccc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=NCCS2)c(OC)c1 ZINC000005956910 203826667 /nfs/dbraw/zinc/82/66/67/203826667.db2.gz NHFIAAAMCYVRIW-KRWDZBQOSA-N -1 0 375.446 3.338 50 0 in-vitro GGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(C)c3)cc2)n1 ZINC000000898263 203863375 /nfs/dbraw/zinc/86/33/75/203863375.db2.gz INKQTJIGAARALN-UHFFFAOYSA-N -1 0 396.472 3.455 50 0 GGAARM CCOc1ccc(N[C@@H]2SC(=O)N(Cc3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000001018903 203874238 /nfs/dbraw/zinc/87/42/38/203874238.db2.gz DCUVCSLUHINRMH-MRXNPFEDSA-N -1 0 386.429 3.417 50 0 GGAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])Cc2ccc(Br)cc2)cc1 ZINC000001123100 203886242 /nfs/dbraw/zinc/88/62/42/203886242.db2.gz SYTXTZQJEWJFFA-UHFFFAOYSA-N -1 0 398.278 3.033 50 0 GGAARM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2ncn([C@H](C)C(=O)[O-])c(=O)c12 ZINC000001784728 203920179 /nfs/dbraw/zinc/92/01/79/203920179.db2.gz LARKVLYOXYMNBT-GFCCVEGCSA-N -1 0 385.445 3.281 50 0 GGAARM Cc1c(C)c2ccc(O[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c2oc1=O ZINC000002157273 203929016 /nfs/dbraw/zinc/92/90/16/203929016.db2.gz CDKWACSMHPTBAQ-ZBFHGGJFSA-N -1 0 389.448 3.101 50 0 biogenic GGAARM CCn1cc(S(=O)(=O)[N-]c2ccn(Cc3c(F)cccc3Cl)n2)c(C)n1 ZINC000002792631 203963261 /nfs/dbraw/zinc/96/32/61/203963261.db2.gz GFVWPSYXMVNOGB-UHFFFAOYSA-N -1 0 397.863 3.050 50 0 GGAARM Cc1ccc(S(=O)(=O)[N-]NC(=S)Nc2cc(Cl)ccc2Cl)cc1 ZINC000003126632 203986730 /nfs/dbraw/zinc/98/67/30/203986730.db2.gz BBXYIJXTMYQXOQ-UHFFFAOYSA-N -1 0 390.317 3.482 50 0 GGAARM O=c1c2cc(I)ccc2[n-]c(=S)n1Cc1ccccc1 ZINC000004312739 204038105 /nfs/dbraw/zinc/03/81/05/204038105.db2.gz NNCAHROHJUVHBU-UHFFFAOYSA-N -1 0 394.237 3.338 50 0 GGAARM CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000003623755 204014994 /nfs/dbraw/zinc/01/49/94/204014994.db2.gz UWPYYFYCNNPJNK-IBGZPJMESA-N -1 0 387.432 3.438 50 0 GGAARM CCCOc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)Cc2ccccc2)cc1 ZINC000003623750 204015011 /nfs/dbraw/zinc/01/50/11/204015011.db2.gz ALLOXWGVTHBAKR-SFHVURJKSA-N -1 0 377.462 3.111 50 0 GGAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)COc2cc(C)ccc2C)cc1OC ZINC000003626813 204017136 /nfs/dbraw/zinc/01/71/36/204017136.db2.gz AVBYSDWWDHLWOY-MRXNPFEDSA-N -1 0 387.432 3.032 50 0 GGAARM C[C@@]12c3[nH]c4ccccc4c3CCN1C(=O)N(c1cccc(C(=O)[O-])c1)C2=O ZINC000004073641 204026411 /nfs/dbraw/zinc/02/64/11/204026411.db2.gz KWPKGKJDUAFHJH-NRFANRHFSA-N -1 0 375.384 3.106 50 0 biogenic GGAARM O=C(Nc1ccc(Cl)cc1)c1cnc([N-]S(=O)(=O)c2ccccc2)nc1 ZINC000004742598 204072427 /nfs/dbraw/zinc/07/24/27/204072427.db2.gz CDBBAFGRCGUTNE-UHFFFAOYSA-N -1 0 388.836 3.183 50 0 GGAARM CC(C)C[C@@H](NC(=O)/C(=C\c1ccccc1F)NC(=O)c1ccccc1)C(=O)[O-] ZINC000004772373 204074748 /nfs/dbraw/zinc/07/47/48/204074748.db2.gz MQTWTLUVQMFSMO-HJDVLLJCSA-N -1 0 398.434 3.212 50 0 GGAARM COC(=O)[C@@]([N-]C(=O)C(F)(F)F)(c1c(C)[nH]c2ccccc21)C(F)(F)F ZINC000004776759 204074910 /nfs/dbraw/zinc/07/49/10/204074910.db2.gz XRLCSDRCGCVJAB-ZDUSSCGKSA-N -1 0 382.260 3.085 50 0 GGAARM Nc1c2cc(C(=O)[O-])c(=O)[nH]c2sc1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000004789482 204076088 /nfs/dbraw/zinc/07/60/88/204076088.db2.gz APMQETKNPKQVAU-UHFFFAOYSA-N -1 0 398.227 3.429 50 0 GGAARM CCCCc1ccc(NC(=O)c2sc3[nH]c(=O)c(C(=O)[O-])cc3c2N)cc1 ZINC000004789473 204076158 /nfs/dbraw/zinc/07/61/58/204076158.db2.gz UNBHZBFAHKIVMI-UHFFFAOYSA-N -1 0 385.445 3.465 50 0 GGAARM CC1=Nc2nc(NC(=O)CCCC(=O)[O-])nn2[C@H](c2ccc(Cl)cc2)C1 ZINC000004879740 204085478 /nfs/dbraw/zinc/08/54/78/204085478.db2.gz FWPZXYUPWGXFJJ-ZDUSSCGKSA-N -1 0 375.816 3.044 50 0 GGAARM NC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCCCC2 ZINC000004894268 204086899 /nfs/dbraw/zinc/08/68/99/204086899.db2.gz DIBZRFNZKOOPEM-NWDGAFQWSA-N -1 0 376.478 3.112 50 0 GGAARM O=C([O-])/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Br ZINC000004907074 204090198 /nfs/dbraw/zinc/09/01/98/204090198.db2.gz KARCWJIHYZRGEU-QPEQYQDCSA-N -1 0 390.189 3.033 50 0 GGAARM COc1cc(-c2cc(C(=O)[O-])c3cc4c(cc3n2)OCCO4)cc(OC)c1OC ZINC000004916920 204090980 /nfs/dbraw/zinc/09/09/80/204090980.db2.gz QTEUPVRQDQASMG-UHFFFAOYSA-N -1 0 397.383 3.397 50 0 GGAARM O=C(Nc1ccc(Cl)cc1)c1cccc(S(=O)(=O)[N-]c2ccccn2)c1 ZINC000004450193 204046447 /nfs/dbraw/zinc/04/64/47/204046447.db2.gz VYXAWOROJZTKRE-UHFFFAOYSA-N -1 0 387.848 3.210 50 0 GGAARM O=C(Nc1cccc2ccccc21)c1n[nH]nc1[N-]S(=O)(=O)c1ccccc1 ZINC000004499986 204048487 /nfs/dbraw/zinc/04/84/87/204048487.db2.gz PIHUQPRBDASIQU-UHFFFAOYSA-N -1 0 393.428 3.011 50 0 GGAARM O=C([O-])c1ccc(NC(=O)COc2ccc(I)cc2)cc1 ZINC000004915515 204091309 /nfs/dbraw/zinc/09/13/09/204091309.db2.gz HNCVIYHDEGAKBC-UHFFFAOYSA-N -1 0 397.168 3.007 50 0 GGAARM COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000004563266 204053226 /nfs/dbraw/zinc/05/32/26/204053226.db2.gz HFVAADLZVRXGFP-ROUUACIJSA-N -1 0 387.457 3.421 50 0 GGAARM CCOC(=O)N[C@@]([N-]c1nc(C2CC2)cs1)(C(=O)OCC)C(F)(F)F ZINC000004558401 204053588 /nfs/dbraw/zinc/05/35/88/204053588.db2.gz ADSCMZREABQCEW-ZDUSSCGKSA-N -1 0 381.376 3.000 50 0 GGAARM CCOc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccc(F)cc1 ZINC000004571991 204054655 /nfs/dbraw/zinc/05/46/55/204054655.db2.gz BMVFXTDMANIICE-YOEHRIQHSA-N -1 0 391.420 3.232 50 0 GGAARM CCOc1ccc(CCNC(=O)[C@H]2CC(C)=CC[C@@H]2C(=O)[O-])cc1OCC ZINC000004601061 204056680 /nfs/dbraw/zinc/05/66/80/204056680.db2.gz JLDZZDJAVLQKOA-IRXDYDNUSA-N -1 0 375.465 3.200 50 0 GGAARM CCOC(=O)c1c(CC)c(C)sc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000004611845 204057867 /nfs/dbraw/zinc/05/78/67/204057867.db2.gz PQUSXSFVKJVREF-XWUBHJNHSA-N -1 0 377.462 3.257 50 0 GGAARM CCOc1ccc2[nH]c(SCC(=O)Nc3ccc(CC(=O)[O-])cc3)nc2c1 ZINC000004626564 204058335 /nfs/dbraw/zinc/05/83/35/204058335.db2.gz XYHNLHKVVPUDLV-UHFFFAOYSA-N -1 0 385.445 3.320 50 0 GGAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000004628696 204059282 /nfs/dbraw/zinc/05/92/82/204059282.db2.gz NFKMJDTZKAIYKS-UTUOFQBUSA-N -1 0 378.494 3.191 50 0 GGAARM Cc1cc(I)ccc1NC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000004651383 204059462 /nfs/dbraw/zinc/05/94/62/204059462.db2.gz YWMYZAJWLBJSTQ-QOBDMFJFSA-N -1 0 399.228 3.285 50 0 GGAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@H](C(=O)[O-])C1 ZINC000004651490 204059947 /nfs/dbraw/zinc/05/99/47/204059947.db2.gz VKEVUPIIATWBTD-QWHCGFSZSA-N -1 0 376.478 3.112 50 0 GGAARM Cc1cc(I)ccc1NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000004651385 204060031 /nfs/dbraw/zinc/06/00/31/204060031.db2.gz YWMYZAJWLBJSTQ-OAACRXHESA-N -1 0 399.228 3.285 50 0 GGAARM O=C([O-])c1ccc(NC(=S)NC(=O)c2ccccc2Br)cc1 ZINC000004674110 204061922 /nfs/dbraw/zinc/06/19/22/204061922.db2.gz HZSUFIDCGARESS-UHFFFAOYSA-N -1 0 379.235 3.274 50 0 GGAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000004690054 204064114 /nfs/dbraw/zinc/06/41/14/204064114.db2.gz NYCOPKHTLRGQAA-UHFFFAOYSA-N -1 0 384.251 3.037 50 0 GGAARM Cn1c(SCC(=O)[O-])nnc1-c1ccc(NC(=O)/C=C/c2ccccc2)cc1 ZINC000004690739 204064243 /nfs/dbraw/zinc/06/42/43/204064243.db2.gz BQWXMPKMQGWRIT-KPKJPENVSA-N -1 0 394.456 3.311 50 0 GGAARM CC[C@@H](C)[C@@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000005102985 204112773 /nfs/dbraw/zinc/11/27/73/204112773.db2.gz AQDQXSSXSIVYML-OEVWGLMUSA-N -1 0 394.471 3.381 50 0 GGAARM CC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000005157345 204115825 /nfs/dbraw/zinc/11/58/25/204115825.db2.gz TWSLCQBUOKIILH-PKOBYXMFSA-N -1 0 395.846 3.280 50 0 GGAARM CC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000005164396 204116179 /nfs/dbraw/zinc/11/61/79/204116179.db2.gz NMQDUOSWDARETR-PKOBYXMFSA-N -1 0 395.846 3.280 50 0 GGAARM COc1ccc(-c2cccc([N-]S(=O)(=O)c3cc(F)ccc3F)c2)nn1 ZINC000005204187 204119858 /nfs/dbraw/zinc/11/98/58/204119858.db2.gz CQVMSLBWRIVYJN-UHFFFAOYSA-N -1 0 377.372 3.231 50 0 GGAARM COc1ccc(-c2cccc([N-]S(=O)(=O)c3cc(F)ccc3OC)c2)nn1 ZINC000005204179 204119952 /nfs/dbraw/zinc/11/99/52/204119952.db2.gz NSYUZEWNIIBJOY-UHFFFAOYSA-N -1 0 389.408 3.101 50 0 GGAARM CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccccc1O ZINC000005001088 204101508 /nfs/dbraw/zinc/10/15/08/204101508.db2.gz WUNCEWDEDJKEIS-UHFFFAOYSA-N -1 0 384.461 3.410 50 0 GGAARM CCOc1ccccc1N1C(=O)[N-]C(=O)C(=C(C)NCc2cccc(C)c2)C1=O ZINC000005799701 204151145 /nfs/dbraw/zinc/15/11/45/204151145.db2.gz XUYVPKBPUSPNDJ-XDJHFCHBSA-N -1 0 393.443 3.040 50 0 GGAARM COc1ccc(CCNC(=O)C[C@@H](Cc2ccc(C)cc2)C(=O)[O-])cc1OC ZINC000005928800 204157069 /nfs/dbraw/zinc/15/70/69/204157069.db2.gz PIKHMWOWIRBUFW-GOSISDBHSA-N -1 0 385.460 3.005 50 0 biogenic GGAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)c1C ZINC000005924775 204157415 /nfs/dbraw/zinc/15/74/15/204157415.db2.gz WDICVJSNDGTAHT-UHFFFAOYSA-N -1 0 389.408 3.484 50 0 GGAARM Cc1cc(C)nc(-n2[n-]c3[nH]c(-c4ccc5ccccc5c4)cc(=O)c3c2=O)n1 ZINC000005452485 204133097 /nfs/dbraw/zinc/13/30/97/204133097.db2.gz VGZCJQBOLDUNCF-UHFFFAOYSA-N -1 0 383.411 3.234 50 0 GGAARM COc1ccc(C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2nnn[n-]2)cc1 ZINC000005484077 204136332 /nfs/dbraw/zinc/13/63/32/204136332.db2.gz LVEIYBBDLNVAIY-OAHLLOKOSA-N -1 0 391.353 3.192 50 0 GGAARM CCOc1ccc(NC(C)=C2C(=O)[N-]C(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000005644936 204144041 /nfs/dbraw/zinc/14/40/41/204144041.db2.gz LURBNTBPFBOANG-AQTBWJFISA-N -1 0 395.415 3.063 50 0 GGAARM CCn1cc(C(=O)[O-])c(=O)c2cc(Cc3ccccc3)c(OCCOC)cc21 ZINC000005667999 204145570 /nfs/dbraw/zinc/14/55/70/204145570.db2.gz XGJIETHDJHQNFU-UHFFFAOYSA-N -1 0 381.428 3.336 50 0 GGAARM CCOC(=O)c1ccc(Nc2n[n-]c3nc4sc(C)c(C)c4c(=O)n23)cc1 ZINC000006870154 204217804 /nfs/dbraw/zinc/21/78/04/204217804.db2.gz OTJBBFUMWRSULR-UHFFFAOYSA-N -1 0 383.433 3.169 50 0 GGAARM CCOC(=O)c1c([N-]S(=O)(=O)c2cnn(CC)c2)sc2c1CC[C@@H](C)C2 ZINC000006229056 204171177 /nfs/dbraw/zinc/17/11/77/204171177.db2.gz IHSUAJDSEGLAHF-LLVKDONJSA-N -1 0 397.522 3.067 50 0 GGAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCSc1ccc(Cl)cc1 ZINC000006268643 204172791 /nfs/dbraw/zinc/17/27/91/204172791.db2.gz LCUGXPHLRVLFIM-UHFFFAOYSA-N -1 0 384.910 3.234 50 0 GGAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1 ZINC000006659278 204189294 /nfs/dbraw/zinc/18/92/94/204189294.db2.gz ARZJFKNSGYKJPF-ZIAGYGMSSA-N -1 0 398.381 3.148 50 0 GGAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)NCCc1ccsc1 ZINC000006661866 204190472 /nfs/dbraw/zinc/19/04/72/204190472.db2.gz DLYXMVAGMGNBPI-UHFFFAOYSA-N -1 0 377.849 3.423 50 0 GGAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000006742666 204198344 /nfs/dbraw/zinc/19/83/44/204198344.db2.gz GNRBLRPIKHEPKM-BURPLHJFSA-N -1 0 390.911 3.121 50 0 GGAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000006742667 204198429 /nfs/dbraw/zinc/19/84/29/204198429.db2.gz GNRBLRPIKHEPKM-NRERDWFFSA-N -1 0 390.911 3.121 50 0 GGAARM O=C(CSC1=Nc2ccccc2S(=O)(=O)[N-]1)Nc1ccc(Cl)cc1 ZINC000006918589 204223676 /nfs/dbraw/zinc/22/36/76/204223676.db2.gz VQXHZCAADDDLFZ-UHFFFAOYSA-N -1 0 381.866 3.182 50 0 GGAARM Cc1ccc(C)c(NC(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)c1 ZINC000006918573 204224187 /nfs/dbraw/zinc/22/41/87/204224187.db2.gz RZXZIJKLRSSYCA-UHFFFAOYSA-N -1 0 375.475 3.146 50 0 GGAARM CCOC(=O)[C@]([N-]c1nc2ccccc2s1)(NC(=O)CC)C(F)(F)F ZINC000009088196 204298090 /nfs/dbraw/zinc/29/80/90/204298090.db2.gz BPRYSYWTRQQETD-CQSZACIVSA-N -1 0 375.372 3.056 50 0 GGAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000008715844 204285562 /nfs/dbraw/zinc/28/55/62/204285562.db2.gz ZUDFSRDWHPGUJA-UHFFFAOYSA-N -1 0 396.424 3.017 50 0 GGAARM COc1ccc(C=Cc2nc(NC#N)nc(-c3ccccc3[O-])n2)cc1OC ZINC000008990245 204295735 /nfs/dbraw/zinc/29/57/35/204295735.db2.gz IJBAVTOYDACFQV-CSKARUKUSA-N -1 0 375.388 3.325 50 0 GGAARM O=C(Nc1cc(=O)nc2[n-]c(Cc3ccccc3)nn21)c1cccc(Cl)c1 ZINC000009042030 204296787 /nfs/dbraw/zinc/29/67/87/204296787.db2.gz YOLSMASIFHELIV-UHFFFAOYSA-N -1 0 379.807 3.326 50 0 GGAARM COc1ccc(CN2CNc3c(c(=O)[n-]c(=S)n3-c3ccccc3C)C2)cc1 ZINC000008995831 204296921 /nfs/dbraw/zinc/29/69/21/204296921.db2.gz PHVGBURELHJWTI-UHFFFAOYSA-N -1 0 394.500 3.223 50 0 GGAARM CCOc1ccc(NC(C)=C2C(=O)[N-]C(=O)N(c3ccccc3C)C2=O)cc1 ZINC000009016036 204297178 /nfs/dbraw/zinc/29/71/78/204297178.db2.gz JCRMDTMZMYTLMX-JXAWBTAJSA-N -1 0 379.416 3.363 50 0 GGAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCC[C@H]32)C(=O)N1c1ccc(F)cc1 ZINC000008995280 204297452 /nfs/dbraw/zinc/29/74/52/204297452.db2.gz SSWBPOGUYBIMJC-LAUBAEHRSA-N -1 0 379.391 3.460 50 0 GGAARM CCc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc(C)ccc4N(C)C3)C2=O)cc1 ZINC000009015684 204297538 /nfs/dbraw/zinc/29/75/38/204297538.db2.gz MMRGJLXCPOPKPD-QFIPXVFZSA-N -1 0 377.444 3.024 50 0 GGAARM COCCN1CCCc2ccc([N-]S(=O)(=O)c3cc(C)ccc3OC)cc21 ZINC000035588233 204262675 /nfs/dbraw/zinc/26/26/75/204262675.db2.gz JGPZNFGQJKCXGX-UHFFFAOYSA-N -1 0 390.505 3.203 50 0 GGAARM COC(=O)[C@@]([N-]c1nc2ccc(C(C)C)cc2s1)(NC(C)=O)C(F)(F)F ZINC000009012918 204297620 /nfs/dbraw/zinc/29/76/20/204297620.db2.gz ICORAWOTXYMUIN-HNNXBMFYSA-N -1 0 389.399 3.399 50 0 GGAARM CCOc1ccc(NC(C)=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000009242537 204304008 /nfs/dbraw/zinc/30/40/08/204304008.db2.gz LIRJBVNKBMUDLC-JXAWBTAJSA-N -1 0 379.416 3.050 50 0 GGAARM Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)c(=O)[n-]2)c(C)c1 ZINC000009303722 204305279 /nfs/dbraw/zinc/30/52/79/204305279.db2.gz CBNPQKPFLZSCJY-UHFFFAOYSA-N -1 0 380.473 3.103 50 0 GGAARM CCc1nc2sc([C@H](c3ccccc3F)N3C[C@@H](C)O[C@H](C)C3)c([O-])n2n1 ZINC000036104896 204306090 /nfs/dbraw/zinc/30/60/90/204306090.db2.gz DUUHXLWTQODZGC-HSMVNMDESA-N -1 0 390.484 3.397 50 0 GGAARM COCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000009356076 204308217 /nfs/dbraw/zinc/30/82/17/204308217.db2.gz CMGUQNKTJHANCX-UHFFFAOYSA-N -1 0 398.484 3.407 50 0 GGAARM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccccc3C(F)(F)F)cc2C1 ZINC000036187868 204310246 /nfs/dbraw/zinc/31/02/46/204310246.db2.gz MJCOMWBXOSUBLQ-UHFFFAOYSA-N -1 0 398.406 3.411 50 0 GGAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000009646349 204317929 /nfs/dbraw/zinc/31/79/29/204317929.db2.gz YSZAEEZGRGEDJM-UHFFFAOYSA-N -1 0 377.443 3.497 50 0 GGAARM CC[C@@H](C)[C@@H](NC(=O)CCn1ccc2ccc(Br)cc21)C(=O)[O-] ZINC000036576295 204322322 /nfs/dbraw/zinc/32/23/22/204322322.db2.gz YNWGLOXWWQORGX-BDJLRTHQSA-N -1 0 381.270 3.409 50 0 GGAARM CC[C@H](C)[C@H](NC(=O)CCn1ccc2ccc(Br)cc21)C(=O)[O-] ZINC000036576293 204322644 /nfs/dbraw/zinc/32/26/44/204322644.db2.gz YNWGLOXWWQORGX-ZBEGNZNMSA-N -1 0 381.270 3.409 50 0 GGAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1nc2ccc(F)cc2s1 ZINC000011615694 204348350 /nfs/dbraw/zinc/34/83/50/204348350.db2.gz MULKHZMUYLQGBW-UHFFFAOYSA-N -1 0 395.437 3.203 50 0 GGAARM Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc4nccnc4c3)C2)cc1 ZINC000011692670 204351611 /nfs/dbraw/zinc/35/16/11/204351611.db2.gz BSGLEZROVVPGFA-HXUWFJFHSA-N -1 0 388.427 3.481 50 0 GGAARM CCSc1nnc([N-]C(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)s1 ZINC000011916813 204361932 /nfs/dbraw/zinc/36/19/32/204361932.db2.gz WTSZELAVGUUTMJ-UHFFFAOYSA-N -1 0 390.446 3.329 50 0 GGAARM COc1cc(NC(=O)C2CCCCC2)c(OC)cc1NC(=O)CCC(=O)[O-] ZINC000012710759 204437162 /nfs/dbraw/zinc/43/71/62/204437162.db2.gz YPTWLOYLSBVFCO-UHFFFAOYSA-N -1 0 378.425 3.026 50 0 GGAARM Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000015084421 204563478 /nfs/dbraw/zinc/56/34/78/204563478.db2.gz MUQJUUBMLXWIBW-LBPRGKRZSA-N -1 0 383.795 3.446 50 0 GGAARM O=C([O-])c1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)c2)cc1 ZINC000018181617 204617085 /nfs/dbraw/zinc/61/70/85/204617085.db2.gz GKOJNFFVPXCUTM-HDICACEKSA-N -1 0 390.395 3.093 50 0 GGAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCC2 ZINC000017079635 204607029 /nfs/dbraw/zinc/60/70/29/204607029.db2.gz YIAIOXYVUYUQSW-LLVKDONJSA-N -1 0 390.461 3.199 50 0 GGAARM COC(=O)c1c(NC(=O)CSCC(=O)[O-])sc(C)c1-c1ccc(F)cc1 ZINC000017081258 204608334 /nfs/dbraw/zinc/60/83/34/204608334.db2.gz KXVSJAUODCPVOB-UHFFFAOYSA-N -1 0 397.449 3.406 50 0 GGAARM C[C@@H](Oc1c(I)cc(Cl)c2cccnc21)C(=O)[O-] ZINC000022148021 204774500 /nfs/dbraw/zinc/77/45/00/204774500.db2.gz CCUYMIQZDLRWTQ-ZCFIWIBFSA-N -1 0 377.565 3.345 50 0 GGAARM CCN1CCN([C@@H](c2ccco2)c2sc3nc(-c4ccco4)nn3c2[O-])CC1 ZINC000022577431 204784178 /nfs/dbraw/zinc/78/41/78/204784178.db2.gz OQAWCUAWQLVTCJ-HNNXBMFYSA-N -1 0 399.476 3.076 50 0 GGAARM [O-]c1c([C@H](c2ccccc2)N2CCOCC2)sc2nc(-c3ccco3)nn12 ZINC000022851782 204789055 /nfs/dbraw/zinc/78/90/55/204789055.db2.gz AQLFJHMIFTTZKE-HNNXBMFYSA-N -1 0 382.445 3.178 50 0 GGAARM CN1C2=C(C(=O)N(c3cccc(C(=O)[O-])c3)C2)[C@@H](c2ccc(Cl)cc2)NC1=O ZINC000035326674 204985764 /nfs/dbraw/zinc/98/57/64/204985764.db2.gz TZXVCNGXOULRID-QGZVFWFLSA-N -1 0 397.818 3.035 50 0 GGAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc2ccccc21 ZINC000035685902 204996136 /nfs/dbraw/zinc/99/61/36/204996136.db2.gz JXUYPFWFQKLOLF-IBGZPJMESA-N -1 0 394.452 3.295 50 0 GGAARM COc1ccc(-c2ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])cc2)cc1 ZINC000036293936 205010730 /nfs/dbraw/zinc/01/07/30/205010730.db2.gz CLTFKRIXLISUSH-GOSISDBHSA-N -1 0 377.462 3.140 50 0 GGAARM COc1cccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)c1 ZINC000036359503 205014777 /nfs/dbraw/zinc/01/47/77/205014777.db2.gz TYVUPKNPKXPJHA-UHFFFAOYSA-N -1 0 375.425 3.438 50 0 GGAARM O=C([O-])[C@@H]1CS[C@H](c2ccc(COc3ccc(Br)cc3)o2)N1 ZINC000036624049 205019921 /nfs/dbraw/zinc/01/99/21/205019921.db2.gz RSCFUYATJACIHZ-GXTWGEPZSA-N -1 0 384.251 3.409 50 0 GGAARM O=C(N=c1[nH]c2ccccc2[nH]1)c1cc(=O)c(OCc2cccc(Cl)c2)c[n-]1 ZINC000071288365 205026123 /nfs/dbraw/zinc/02/61/23/205026123.db2.gz NMUVFTOFQSPXMW-UHFFFAOYSA-N -1 0 394.818 3.158 50 0 GGAARM CCOC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000072325258 205031524 /nfs/dbraw/zinc/03/15/24/205031524.db2.gz AYBXOVPBDCIPQW-AWEZNQCLSA-N -1 0 381.384 3.048 50 0 biogenic GGAARM COc1cc(-c2noc(-c3c[n-]c4ccccc4c3=O)n2)cc(OC)c1OC ZINC000039979727 205044000 /nfs/dbraw/zinc/04/40/00/205044000.db2.gz ADZXVIUZNNGMGL-UHFFFAOYSA-N -1 0 379.372 3.271 50 0 GGAARM O=C([O-])c1cccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2cccc(F)c2)c1 ZINC000040268001 205061221 /nfs/dbraw/zinc/06/12/21/205061221.db2.gz VTNXDVZLCSBBAX-SFHVURJKSA-N -1 0 380.379 3.427 50 0 GGAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)s2)n[nH]1 ZINC000040286496 205061301 /nfs/dbraw/zinc/06/13/01/205061301.db2.gz DTSSBMDIGWYILN-UHFFFAOYSA-N -1 0 377.447 3.019 50 0 GGAARM CC[C@@H](C)[C@H](NC(=O)CCn1ccc2c1cccc2Br)C(=O)[O-] ZINC000040309002 205061349 /nfs/dbraw/zinc/06/13/49/205061349.db2.gz AAUYDHONFRIVEV-BZNIZROVSA-N -1 0 381.270 3.409 50 0 biogenic GGAARM CSCC[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc21)C(=O)[O-] ZINC000040312759 205061615 /nfs/dbraw/zinc/06/16/15/205061615.db2.gz SHNRCSJIUFQKJY-KRWDZBQOSA-N -1 0 381.457 3.233 50 0 biogenic GGAARM O=c1[n-]c(CNc2ccc(F)cc2)nn1Cc1ccc(OC(F)(F)F)cc1 ZINC000040283483 205061672 /nfs/dbraw/zinc/06/16/72/205061672.db2.gz LNPGOCCHOPMLRX-UHFFFAOYSA-N -1 0 382.317 3.270 50 0 GGAARM CCc1nn2c(ncc3c(=O)n(CCC(=O)[O-])ccc32)c1-c1ccc(Cl)cc1 ZINC000040397491 205063784 /nfs/dbraw/zinc/06/37/84/205063784.db2.gz YJVRPJSCMJKNSZ-UHFFFAOYSA-N -1 0 396.834 3.402 50 0 GGAARM O=C([O-])c1cn(-c2ccc(F)cc2F)c2nc(-n3cccc3)c(F)cc2c1=O ZINC000044123637 205084687 /nfs/dbraw/zinc/08/46/87/205084687.db2.gz JMJFVLASXNRLSZ-UHFFFAOYSA-N -1 0 385.301 3.292 50 0 GGAARM CCc1cccc(NC(=O)c2c([O-])c3cnn(Cc4ccccc4)c3[nH]c2=O)c1 ZINC000049411791 205126730 /nfs/dbraw/zinc/12/67/30/205126730.db2.gz TUTCQJCBNBHALQ-UHFFFAOYSA-N -1 0 388.427 3.293 50 0 GGAARM O=C(N=c1[nH]c2ccccc2[nH]1)c1cc(=O)c(OCc2ccccc2Cl)c[n-]1 ZINC000049551011 205127947 /nfs/dbraw/zinc/12/79/47/205127947.db2.gz RWVUBXDSRIUGQJ-UHFFFAOYSA-N -1 0 394.818 3.158 50 0 GGAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@H](c2cccc(O)c2)CC(=O)N3)c1 ZINC000049543395 205128338 /nfs/dbraw/zinc/12/83/38/205128338.db2.gz ANJQYYRYNMQRKE-INIZCTEOSA-N -1 0 378.384 3.364 50 0 biogenic GGAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)c1ccccc1OC(F)(F)C(F)F ZINC000055088647 205142426 /nfs/dbraw/zinc/14/24/26/205142426.db2.gz MCRYSAFHTIQZEX-UHFFFAOYSA-N -1 0 389.305 3.074 50 0 GGAARM O=C([O-])c1ccc2c(c1)n(Cc1ccc(C(F)(F)F)nc1)c(=O)n2CC1CC1 ZINC000055359425 205146639 /nfs/dbraw/zinc/14/66/39/205146639.db2.gz YMTKMTZHEFBRLV-UHFFFAOYSA-N -1 0 391.349 3.373 50 0 GGAARM O=C([O-])c1ccc2c(c1)S[C@@H](CC(=O)Nc1ccc(F)cc1F)C(=O)N2 ZINC000061717607 205181118 /nfs/dbraw/zinc/18/11/18/205181118.db2.gz KUBJWUSBXORCAH-AWEZNQCLSA-N -1 0 378.356 3.105 50 0 GGAARM COc1ccccc1[C@H]1CNC(=O)c2nc(C(=O)Nc3ccccc3C)[n-]c2C1 ZINC000065375319 205231785 /nfs/dbraw/zinc/23/17/85/205231785.db2.gz PGZLPDXIQKQBTL-CQSZACIVSA-N -1 0 390.443 3.049 50 0 GGAARM CCc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000067245498 205242326 /nfs/dbraw/zinc/24/23/26/205242326.db2.gz QDUNMLGGTNKPKB-UHFFFAOYSA-N -1 0 388.424 3.164 50 0 GGAARM Cc1cccc(C(=O)N2CCc3c(c(C(=O)[O-])nn3Cc3ccc(F)cc3)C2)c1 ZINC000067692406 205257060 /nfs/dbraw/zinc/25/70/60/205257060.db2.gz COUDNEYFYSJXHX-UHFFFAOYSA-N -1 0 393.418 3.276 50 0 GGAARM CC(C)CCn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@H]1CCc3ccccc31)C2 ZINC000067869370 205263558 /nfs/dbraw/zinc/26/35/58/205263558.db2.gz DEOPPHXOCYFJKZ-KRWDZBQOSA-N -1 0 381.476 3.242 50 0 GGAARM O=c1cc(-c2nc([C@]3(c4ccc(F)cc4)CCOC3)no2)[n-]c2ccccc12 ZINC000067974440 205270894 /nfs/dbraw/zinc/27/08/94/205270894.db2.gz VRSNOKXGHIAJMT-OAQYLSRUSA-N -1 0 377.375 3.424 50 0 GGAARM O=C([O-])c1ccccc1CC(=O)Nc1ccc(F)c(C(=O)Nc2cccnc2)c1 ZINC000071285699 205280602 /nfs/dbraw/zinc/28/06/02/205280602.db2.gz VABQJDKNNFUYCP-UHFFFAOYSA-N -1 0 393.374 3.352 50 0 GGAARM O=C([O-])c1ccccc1CC(=O)Nc1cccc(NC(=O)c2cccnc2)c1 ZINC000071286173 205280661 /nfs/dbraw/zinc/28/06/61/205280661.db2.gz QKRKFKJCWQIOLF-UHFFFAOYSA-N -1 0 375.384 3.213 50 0 GGAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccn2)c1 ZINC000071287716 205280727 /nfs/dbraw/zinc/28/07/27/205280727.db2.gz ILNYCYSKQCXLIK-GJZGRUSLSA-N -1 0 387.823 3.283 50 0 GGAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccn2)c1 ZINC000071287714 205281045 /nfs/dbraw/zinc/28/10/45/205281045.db2.gz ILNYCYSKQCXLIK-HUUCEWRRSA-N -1 0 387.823 3.283 50 0 GGAARM O=C([O-])c1ccccc1CC(=O)Nc1ccc(C(=O)NCc2ccco2)cc1 ZINC000071287577 205281081 /nfs/dbraw/zinc/28/10/81/205281081.db2.gz KCPYKAHABKBJKL-UHFFFAOYSA-N -1 0 378.384 3.089 50 0 GGAARM Cc1nc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)c2)sc1C ZINC000071287754 205281166 /nfs/dbraw/zinc/28/11/66/205281166.db2.gz JVVGQJOEQBSRNU-UONOGXRCSA-N -1 0 387.461 3.308 50 0 GGAARM O=C([O-])c1ccccc1CC(=O)Nc1ccccc1C(=O)Nc1nccs1 ZINC000071285691 205281171 /nfs/dbraw/zinc/28/11/71/205281171.db2.gz DDNRXKUZVCUWIM-UHFFFAOYSA-N -1 0 381.413 3.275 50 0 GGAARM CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000071286069 205281180 /nfs/dbraw/zinc/28/11/80/205281180.db2.gz BMVCMYWHQHLEIR-ZWKOTPCHSA-N -1 0 380.444 3.254 50 0 GGAARM O=C([O-])C1(CCOc2ccccc2)CCN(C(=O)c2ccc3[nH]cnc3c2)CC1 ZINC000071551630 205284671 /nfs/dbraw/zinc/28/46/71/205284671.db2.gz LJBANCPSQRJLQC-UHFFFAOYSA-N -1 0 393.443 3.339 50 0 GGAARM COc1cccc(CC2(C(=O)[O-])CCN(C(=O)c3ccccc3OC)CC2)c1 ZINC000071524009 205286061 /nfs/dbraw/zinc/28/60/61/205286061.db2.gz QHGVDBOBNGZHMX-UHFFFAOYSA-N -1 0 383.444 3.254 50 0 GGAARM Cc1ccccc1C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000071745670 205286850 /nfs/dbraw/zinc/28/68/50/205286850.db2.gz ZODZZUQAPCTXGB-QFIPXVFZSA-N -1 0 381.428 3.273 50 0 GGAARM Cc1ccccc1C[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000071745669 205286900 /nfs/dbraw/zinc/28/69/00/205286900.db2.gz ZODZZUQAPCTXGB-JOCHJYFZSA-N -1 0 381.428 3.273 50 0 GGAARM CC(C)[C@H]1CN(c2ncccc2C(=O)[O-])CCC(=O)N1Cc1ccc(F)cc1 ZINC000071745280 205287365 /nfs/dbraw/zinc/28/73/65/205287365.db2.gz SDRYCPANKQJWPN-GOSISDBHSA-N -1 0 385.439 3.182 50 0 GGAARM Cc1ccc2[nH]nc(C(=O)N3CCC[C@@](Cc4ccccc4)(C(=O)[O-])C3)c2c1 ZINC000071715013 205287984 /nfs/dbraw/zinc/28/79/84/205287984.db2.gz QJAMRHBASFGQAO-QFIPXVFZSA-N -1 0 377.444 3.421 50 0 GGAARM CC(C)[C@@H]1CN(c2ncccc2C(=O)[O-])CCC(=O)N1Cc1ccc(F)cc1 ZINC000071745279 205288139 /nfs/dbraw/zinc/28/81/39/205288139.db2.gz SDRYCPANKQJWPN-SFHVURJKSA-N -1 0 385.439 3.182 50 0 GGAARM CCCn1ncc(C(=O)N2CCC[C@](Cc3ccc(F)cc3)(C(=O)[O-])C2)c1C ZINC000071747577 205288629 /nfs/dbraw/zinc/28/86/29/205288629.db2.gz VQQWPHUHPCACLY-OAQYLSRUSA-N -1 0 387.455 3.290 50 0 GGAARM CO[C@@H](C)c1ccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)NC(C)C)c2)cc1 ZINC000071759954 205293767 /nfs/dbraw/zinc/29/37/67/205293767.db2.gz KBDUKRLOOXYCSB-ZDUSSCGKSA-N -1 0 377.462 3.446 50 0 GGAARM Cn1ccnc1CN1CCC(Cc2ccccc2C(F)(F)F)(C(=O)[O-])CC1 ZINC000071764104 205295477 /nfs/dbraw/zinc/29/54/77/205295477.db2.gz JRYXLQFZYXWGGO-UHFFFAOYSA-N -1 0 381.398 3.348 50 0 GGAARM O=C([O-])c1n[nH]cc1CN1CCC[C@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000071763257 205295634 /nfs/dbraw/zinc/29/56/34/205295634.db2.gz WIABKEUCGFCJCJ-LBPRGKRZSA-N -1 0 381.354 3.222 50 0 GGAARM O=C([O-])[C@]1(CCc2ccccc2)CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000071775801 205296416 /nfs/dbraw/zinc/29/64/16/205296416.db2.gz XUMXDWLLIJTSJL-QFIPXVFZSA-N -1 0 381.428 3.355 50 0 GGAARM O=C([O-])c1cc(-c2cccc3ccnn32)cc(S(=O)(=O)N2CCCCCC2)c1 ZINC000071776492 205296798 /nfs/dbraw/zinc/29/67/98/205296798.db2.gz AYFDCOZRNSGBJR-UHFFFAOYSA-N -1 0 399.472 3.264 50 0 GGAARM O=C([O-])c1ccccc1CC(=O)Nc1cccc(C(=O)Nc2nccs2)c1 ZINC000071284059 205279024 /nfs/dbraw/zinc/27/90/24/205279024.db2.gz NPFPCOSPSJWSPL-UHFFFAOYSA-N -1 0 381.413 3.275 50 0 GGAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cc(C(=O)NC2CCCC2)ccc1Cl ZINC000071283998 205279147 /nfs/dbraw/zinc/27/91/47/205279147.db2.gz UQNCOXBWHBBSGS-HUUCEWRRSA-N -1 0 378.856 3.308 50 0 GGAARM CC1(C)[C@H](C(=O)Nc2cc(C(=O)NC3CCCC3)ccc2Cl)[C@@H]1C(=O)[O-] ZINC000071283997 205279799 /nfs/dbraw/zinc/27/97/99/205279799.db2.gz UQNCOXBWHBBSGS-LSDHHAIUSA-N -1 0 378.856 3.308 50 0 GGAARM COc1ccc(-c2[nH]nc3c2[C@@]2(C(=O)[O-])C[C@@H](N3)c3cccc(OC)c3O2)cc1 ZINC000072332287 205326405 /nfs/dbraw/zinc/32/64/05/205326405.db2.gz CHHANHPOQGFJHB-SPLOXXLWSA-N -1 0 393.399 3.323 50 0 GGAARM Cn1nc(-c2cccs2)cc1C(=O)N1CC[C@@H](c2ccccc2C(=O)[O-])C1 ZINC000072129469 205306393 /nfs/dbraw/zinc/30/63/93/205306393.db2.gz ZPQYBPMEWYBHSA-CYBMUJFWSA-N -1 0 381.457 3.477 50 0 GGAARM COc1cccc(-c2n[nH]cc2C(=O)N2CC[C@@H](c3ccccc3C(=O)[O-])C2)c1 ZINC000072134449 205307980 /nfs/dbraw/zinc/30/79/80/205307980.db2.gz RQJTZCDKFPHUET-OAHLLOKOSA-N -1 0 391.427 3.413 50 0 GGAARM O=C([O-])CCc1cc2n(n1)CCN(C(=O)C1(c3ccccc3)CCCCC1)C2 ZINC000072162605 205312596 /nfs/dbraw/zinc/31/25/96/205312596.db2.gz GPRLUMXADFZRLQ-UHFFFAOYSA-N -1 0 381.476 3.145 50 0 GGAARM O=C([O-])c1ccccc1[C@H]1CCN(C(=O)c2cccc(Cn3cccn3)c2)C1 ZINC000072163121 205316144 /nfs/dbraw/zinc/31/61/44/205316144.db2.gz WYSVDFVHCYFNLT-SFHVURJKSA-N -1 0 375.428 3.259 50 0 GGAARM CCOC(OCC)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000072228940 205319272 /nfs/dbraw/zinc/31/92/72/205319272.db2.gz BULDDHWREGWYKA-LJQANCHMSA-N -1 0 399.443 3.377 50 0 GGAARM CC(C)(C)CN1CCC[C@@]2(CCN(c3nc4c(cc3C(=O)[O-])CCC4)C2)C1=O ZINC000072448066 205352574 /nfs/dbraw/zinc/35/25/74/205352574.db2.gz YBIRHVQFZIJKBU-QFIPXVFZSA-N -1 0 385.508 3.134 50 0 GGAARM C[C@H]1CCc2sc(C(=O)N3CCCn4nc(CCC(=O)[O-])cc4C3)cc2C1 ZINC000072457329 205352582 /nfs/dbraw/zinc/35/25/82/205352582.db2.gz GHSKXKBBRATZLC-ZDUSSCGKSA-N -1 0 387.505 3.133 50 0 GGAARM CC(=O)N1CCC2(C[C@H](C(=O)[O-])N(C(=O)c3ccc(C)c4ccccc34)C2)CC1 ZINC000072457375 205352709 /nfs/dbraw/zinc/35/27/09/205352709.db2.gz SNPMZRVDBSLNRF-HXUWFJFHSA-N -1 0 394.471 3.076 50 0 GGAARM CC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)Cc1ccccc1C(=O)[O-] ZINC000072400968 205343348 /nfs/dbraw/zinc/34/33/48/205343348.db2.gz OATZDZRYBSHWOB-UHFFFAOYSA-N -1 0 378.428 3.206 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)c2sc(C)nc2C)sc1Cc1ccccc1 ZINC000072403242 205345200 /nfs/dbraw/zinc/34/52/00/205345200.db2.gz MCHBPDBFUNGRLS-UHFFFAOYSA-N -1 0 387.486 3.268 50 0 GGAARM COC(=O)C[C@H](c1ccc(-c2cccc(C(=O)[O-])c2)o1)c1c(O)cc(C)[nH]c1=O ZINC000072405531 205345213 /nfs/dbraw/zinc/34/52/13/205345213.db2.gz CKHQJXGXWABWMO-CQSZACIVSA-N -1 0 397.383 3.042 50 0 GGAARM O=C([O-])[C@]1(CC(=O)Nc2ccccc2Cl)CC(c2ccc(F)cc2)=NO1 ZINC000072404901 205345437 /nfs/dbraw/zinc/34/54/37/205345437.db2.gz GBZQVOKQJITTAK-GOSISDBHSA-N -1 0 376.771 3.456 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)c2cn(C)c3ccc(OC)cc23)sc1C(C)C ZINC000079482040 205383415 /nfs/dbraw/zinc/38/34/15/205383415.db2.gz KAVAJPDBMKDGON-UHFFFAOYSA-N -1 0 387.461 3.228 50 0 GGAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2c1[C@@H](c1cnn(C)c1C)SCC(=O)N2 ZINC000079484827 205384107 /nfs/dbraw/zinc/38/41/07/205384107.db2.gz VBTSEFFJRZRXLA-QGZVFWFLSA-N -1 0 397.460 3.345 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)CCc2c(C)noc2C)sc1-c1ccccc1 ZINC000079482380 205384626 /nfs/dbraw/zinc/38/46/26/205384626.db2.gz KUQSJYFRKMNOOA-UHFFFAOYSA-N -1 0 385.445 3.195 50 0 GGAARM CCCCc1nc(CN2CCC(Oc3cccc(F)c3)(C(=O)[O-])CC2)c[nH]1 ZINC000082092569 205385137 /nfs/dbraw/zinc/38/51/37/205385137.db2.gz NQNLQWUAWPZNDJ-UHFFFAOYSA-N -1 0 375.444 3.390 50 0 GGAARM COc1ccccc1OC1(C(=O)[O-])CCN(Cc2ccc(F)cc2F)CC1 ZINC000082087084 205385817 /nfs/dbraw/zinc/38/58/17/205385817.db2.gz STQAICQZEPCDRW-UHFFFAOYSA-N -1 0 377.387 3.472 50 0 GGAARM COc1c(=O)c2c(O)cc([O-])cc2oc1-c1ccc(O)c(CC[C@H](C)CO)c1 ZINC000084711474 205398710 /nfs/dbraw/zinc/39/87/10/205398710.db2.gz LMOYOATYLHNKNP-NSHDSACASA-N -1 0 386.400 3.146 50 0 biogenic GGAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3cc(-c4ccncc4)n[nH]3)C2)c1 ZINC000095364603 205443959 /nfs/dbraw/zinc/44/39/59/205443959.db2.gz DCKJPPKSXCXKAT-KRWDZBQOSA-N -1 0 376.416 3.190 50 0 GGAARM CCSc1ccc(C(=O)N2CCCn3nc(CCC(=O)[O-])cc3C2)s1 ZINC000095364374 205444812 /nfs/dbraw/zinc/44/48/12/205444812.db2.gz UMTPDZJJTAAVDX-UHFFFAOYSA-N -1 0 379.507 3.120 50 0 GGAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)CCc3nc(-c4ccco4)no3)C2)cc1 ZINC000095380532 205450170 /nfs/dbraw/zinc/45/01/70/205450170.db2.gz LTPUCOUMFWMKJI-INIZCTEOSA-N -1 0 395.415 3.367 50 0 GGAARM Cc1cc(C)n2ncc(C(=O)N3CCC[C@H](c4cccc(C(=O)[O-])c4)C3)c2n1 ZINC000095380113 205451512 /nfs/dbraw/zinc/45/15/12/205451512.db2.gz ISLPMPDGHBPJQA-KRWDZBQOSA-N -1 0 378.432 3.064 50 0 GGAARM CCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C(=O)OC)c1=O ZINC000100701444 205610643 /nfs/dbraw/zinc/61/06/43/205610643.db2.gz GFTZYUVPBWKXMB-UHFFFAOYSA-N -1 0 380.400 3.156 50 0 GGAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C)c4)c=3c2=O)cc1Cl ZINC000101168578 205616770 /nfs/dbraw/zinc/61/67/70/205616770.db2.gz LOFJDGUDIWWKEU-DLBZAZTESA-N -1 0 384.823 3.150 50 0 GGAARM COc1ccc(OC)c(-n2cc(C(=O)[O-])c3c2[C@H](c2cccnc2)CC(=O)N3)c1 ZINC000049543439 205671604 /nfs/dbraw/zinc/67/16/04/205671604.db2.gz HGKPGKDUZAIKGV-AWEZNQCLSA-N -1 0 393.399 3.062 50 0 biogenic GGAARM C[C@@H]1Cc2cccc3c2n1c(=O)c(C(=O)NCCc1cccc(Cl)c1)c3[O-] ZINC000170624726 205695898 /nfs/dbraw/zinc/69/58/98/205695898.db2.gz PJWSLHLJDHMXSQ-GFCCVEGCSA-N -1 0 382.847 3.450 50 0 GGAARM CSCC[C@H](NC(=O)CCn1ccc2ccc(Br)cc21)C(=O)[O-] ZINC000012296488 205873159 /nfs/dbraw/zinc/87/31/59/205873159.db2.gz NREKUSLHOZHYLR-ZDUSSCGKSA-N -1 0 399.310 3.116 50 0 biogenic GGAARM O=C([O-])[C@H](NC(=O)Cn1ccc2ccc(Br)cc21)c1ccccc1 ZINC000020735496 205925344 /nfs/dbraw/zinc/92/53/44/205925344.db2.gz ZCLHEYOVYRGWFS-QGZVFWFLSA-N -1 0 387.233 3.346 50 0 GGAARM COc1ccccc1NC(=O)COc1ccc(Br)cc1C(=O)[O-] ZINC000002740944 205928244 /nfs/dbraw/zinc/92/82/44/205928244.db2.gz XWYROBVIHUPCNJ-UHFFFAOYSA-N -1 0 380.194 3.173 50 0 GGAARM COc1cccc([C@H](c2sc3nc(C)nn3c2[O-])N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000033686741 206097778 /nfs/dbraw/zinc/09/77/78/206097778.db2.gz SSWVLZVKMZTSHP-XHBSWPGZSA-N -1 0 388.493 3.012 50 0 GGAARM CC[C@H](Oc1ccccc1)c1nnc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)s1 ZINC000229717050 206107560 /nfs/dbraw/zinc/10/75/60/206107560.db2.gz KFCYNKIKHHPRKN-XQQFMLRXSA-N -1 0 375.450 3.364 50 0 GGAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)C(=O)Nc1ccccc1O2 ZINC000096025652 206114175 /nfs/dbraw/zinc/11/41/75/206114175.db2.gz RHBWIEKMRFDERA-UHFFFAOYSA-N -1 0 398.444 3.196 50 0 GGAARM COC(=O)C[C@H](c1ccccc1)c1c([O-])nc2ccc(C(F)(F)F)cn2c1=O ZINC000096116875 206118281 /nfs/dbraw/zinc/11/82/81/206118281.db2.gz CIYJQMDZULVWKV-CYBMUJFWSA-N -1 0 392.333 3.114 50 0 GGAARM COC(=O)C[C@H](c1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1oc(C)cc(=O)c1O ZINC000096114939 206118451 /nfs/dbraw/zinc/11/84/51/206118451.db2.gz XMWCZBQHNCUYKM-CQSZACIVSA-N -1 0 398.367 3.307 50 0 biogenic GGAARM COc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(C(F)(F)F)cc4)c=3c2=O)cc1 ZINC000096298811 206120919 /nfs/dbraw/zinc/12/09/19/206120919.db2.gz DWCPIBPKWKHYPQ-CABCVRRESA-N -1 0 390.321 3.212 50 0 GGAARM COc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(C(F)(F)F)cc4)c=3c2=O)cc1 ZINC000096298812 206122045 /nfs/dbraw/zinc/12/20/45/206122045.db2.gz DWCPIBPKWKHYPQ-LSDHHAIUSA-N -1 0 390.321 3.212 50 0 GGAARM O=C([O-])[C@H](NC(=O)CCc1nc(-c2cccc3[nH]ccc32)no1)c1ccccc1 ZINC000252481869 206138898 /nfs/dbraw/zinc/13/88/98/206138898.db2.gz CUHMLLWMAHMVCE-LJQANCHMSA-N -1 0 390.399 3.093 50 0 GGAARM CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000252493095 206139886 /nfs/dbraw/zinc/13/98/86/206139886.db2.gz MZARETWZCTZYNX-UHFFFAOYSA-N -1 0 376.478 3.417 50 0 GGAARM C[C@H](CC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000257347743 206183085 /nfs/dbraw/zinc/18/30/85/206183085.db2.gz SHUYNJFEXPRUGR-YOIHXJCKSA-N -1 0 394.552 3.059 50 0 GGAARM CC(C)(C)OC(=O)N[C@H](CCC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000299804076 206193532 /nfs/dbraw/zinc/19/35/32/206193532.db2.gz WZAKXPITWXCANP-CQSZACIVSA-N -1 0 386.489 3.392 50 0 GGAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCCCC[C@@H]32)C(=O)N1c1ccccc1 ZINC000008814898 206224393 /nfs/dbraw/zinc/22/43/93/206224393.db2.gz OYGSHAXVUFVUJJ-XXBNENTESA-N -1 0 389.455 3.261 50 0 GGAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCCCC[C@@H]32)C(=O)N1c1ccccc1 ZINC000008814897 206224658 /nfs/dbraw/zinc/22/46/58/206224658.db2.gz OYGSHAXVUFVUJJ-AUSIDOKSSA-N -1 0 389.455 3.261 50 0 GGAARM O=C([O-])CCC/C=C/C[C@@H]1[C@H](O)C[C@H](O)[C@@H]1CC[C@H](O)CCc1ccccc1 ZINC000097975193 206225927 /nfs/dbraw/zinc/22/59/27/206225927.db2.gz HNPFPERDNWXAGS-QLTXYZRYSA-N -1 0 390.520 3.319 50 0 in-vitro GGAARM CCOc1ccc2nc(NC(=O)[N-]S(=O)(=O)c3cccc(F)c3)sc2c1 ZINC000001415336 206212579 /nfs/dbraw/zinc/21/25/79/206212579.db2.gz JSGXMPNAETZWFN-UHFFFAOYSA-N -1 0 395.437 3.345 50 0 GGAARM CCOC(=O)Cc1c(C)nc2c(-c3cccc(Br)c3)c[n-]n2c1=O ZINC000101866990 206217506 /nfs/dbraw/zinc/21/75/06/206217506.db2.gz NJPVMBJLVSOTIU-UHFFFAOYSA-N -1 0 390.237 3.278 50 0 GGAARM O=C([O-])C1(n2cnc3ccccc32)CCN(c2ncnc3ccsc32)CC1 ZINC000072433039 136170434 /nfs/dbraw/zinc/17/04/34/136170434.db2.gz YXFPALMMQBKDNR-UHFFFAOYSA-N -1 0 379.445 3.121 50 0 GGAARM Cc1cnn(C2(C(=O)[O-])CCN(c3cc(C)nc(-c4ccccc4)n3)CC2)c1 ZINC000072480249 136171314 /nfs/dbraw/zinc/17/13/14/136171314.db2.gz KJIBEWDDYCNXAA-UHFFFAOYSA-N -1 0 377.448 3.037 50 0 GGAARM Cc1cnc(C)c(N2CCC(Oc3ccc4ncccc4c3)(C(=O)[O-])CC2)n1 ZINC000077503318 136172210 /nfs/dbraw/zinc/17/22/10/136172210.db2.gz LABUUKOPQTVSAI-UHFFFAOYSA-N -1 0 378.432 3.144 50 0 GGAARM O=C([O-])C1(Oc2ccc3ccccc3c2)CCN(c2ncnc3nc[nH]c32)CC1 ZINC000082139159 136174076 /nfs/dbraw/zinc/17/40/76/136174076.db2.gz RWCQPPHRAZADIR-UHFFFAOYSA-N -1 0 389.415 3.009 50 0 GGAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)c1 ZINC000095386569 136178738 /nfs/dbraw/zinc/17/87/38/136178738.db2.gz OXOYMNSMLXCSSX-HXUWFJFHSA-N -1 0 394.471 3.241 50 0 GGAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)c1 ZINC000095389093 136178927 /nfs/dbraw/zinc/17/89/27/136178927.db2.gz MCCGMEKGXNONIJ-FQEVSTJZSA-N -1 0 394.471 3.241 50 0 GGAARM Cc1ccc(C(=O)[O-])c(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)n1 ZINC000095515211 136180983 /nfs/dbraw/zinc/18/09/83/136180983.db2.gz AXORCUSRBFSZCH-KRWDZBQOSA-N -1 0 377.448 3.112 50 0 GGAARM O=C([O-])c1nc(N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)ccc1Cl ZINC000095519541 136181058 /nfs/dbraw/zinc/18/10/58/136181058.db2.gz IAXZDNXBAJVSRT-OAHLLOKOSA-N -1 0 397.866 3.457 50 0 GGAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)COC)CCC3)s1 ZINC000021756820 136203175 /nfs/dbraw/zinc/20/31/75/136203175.db2.gz FHGRVZJAATUDKL-UHFFFAOYSA-N -1 0 394.518 3.037 50 0 GGAARM O=C(NCc1ccco1)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000065215619 222111521 /nfs/dbraw/zinc/11/15/21/222111521.db2.gz OPJGJJAVZJTUEY-UHFFFAOYSA-N -1 0 380.425 3.340 50 0 GGAARM Cn1cc(-c2nc3cc(C(=O)[O-])ccc3[nH]2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000072474439 222265753 /nfs/dbraw/zinc/26/57/53/222265753.db2.gz RQBNICOCLSDJSY-UHFFFAOYSA-N -1 0 376.372 3.100 50 0 GGAARM C[C@@H](Nc1nccc(-c2cc(C(=O)[O-])ccn2)n1)c1nncn1C1CCCC1 ZINC000072476435 222264531 /nfs/dbraw/zinc/26/45/31/222264531.db2.gz HKSZFBWDEFZXDH-GFCCVEGCSA-N -1 0 379.424 3.117 50 0 GGAARM CCCN1C(=O)N/C(=C/c2ccccc2OCc2ccc(C(=O)[O-])cc2)C1=O ZINC000004723789 528174539 /nfs/dbraw/zinc/17/45/39/528174539.db2.gz HLYSUHYISOYUSA-SFQUDFHCSA-N -1 0 380.400 3.267 50 0 GGAARM CCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)ccc21 ZINC000008962392 535430933 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Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)no1 ZINC000001055745 564182621 /nfs/dbraw/zinc/18/26/21/564182621.db2.gz PJCTXVVJPWATDP-UHFFFAOYSA-N -1 0 377.447 3.027 50 0 GGAARM COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1C ZINC000001158410 564183261 /nfs/dbraw/zinc/18/32/61/564183261.db2.gz FZCRFECSXMWVOG-UHFFFAOYSA-N -1 0 378.837 3.482 50 0 GGAARM CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Br)c1O[C@@H](C)CC ZINC000001093476 564183469 /nfs/dbraw/zinc/18/34/69/564183469.db2.gz NLPPXAWAXMCPPW-SZUMLMDFSA-N -1 0 383.242 3.205 50 0 GGAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000001148460 564183481 /nfs/dbraw/zinc/18/34/81/564183481.db2.gz FTQIHPJBBLSLLR-UHFFFAOYSA-N -1 0 376.253 3.098 50 0 GGAARM O=C([O-])C[C@H](Cc1ccc(Br)cc1)C(=O)NCc1ccccc1 ZINC000001093991 564183825 /nfs/dbraw/zinc/18/38/25/564183825.db2.gz XCYPZOHZOZHGBS-HNNXBMFYSA-N -1 0 376.250 3.399 50 0 GGAARM COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cccc(C(=O)[O-])c1C ZINC000001159582 564184309 /nfs/dbraw/zinc/18/43/09/564184309.db2.gz 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ZINC000002493320 564187813 /nfs/dbraw/zinc/18/78/13/564187813.db2.gz CMSUIVMSFVOWNX-BMIGLBTASA-N -1 0 383.834 3.120 50 0 GGAARM COc1ccc(CNS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)cc1 ZINC000002655640 564188665 /nfs/dbraw/zinc/18/86/65/564188665.db2.gz ABSCWQLZMNGFSG-UHFFFAOYSA-N -1 0 390.244 3.179 50 0 GGAARM Cc1nn(Cc2cccc(NC(=O)CCC(=O)[O-])c2)c(C)c1Br ZINC000002732415 564189596 /nfs/dbraw/zinc/18/95/96/564189596.db2.gz DAUVXQSCVAFWJT-UHFFFAOYSA-N -1 0 380.242 3.114 50 0 GGAARM COc1ccc(S(=O)(=O)[N-]c2ccn(Cc3ccc(Cl)cc3)n2)cc1 ZINC000002768058 564190272 /nfs/dbraw/zinc/19/02/72/564190272.db2.gz VGIYDOKSKLGPGR-UHFFFAOYSA-N -1 0 377.853 3.394 50 0 GGAARM O=C([O-])COc1cccc(NC(=O)c2ccc(I)cc2)c1 ZINC000004833842 564207485 /nfs/dbraw/zinc/20/74/85/564207485.db2.gz XMXPWKYFRDEQPQ-UHFFFAOYSA-N -1 0 397.168 3.007 50 0 GGAARM O=S(=O)([N-]c1ccc(-c2ccc3nncn3n2)cc1)c1ccc(Cl)s1 ZINC000005150798 564213929 /nfs/dbraw/zinc/21/39/29/564213929.db2.gz WEKYNUPSIXSGAS-UHFFFAOYSA-N -1 0 391.865 3.307 50 0 GGAARM O=C([O-])CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3 ZINC000005635918 564217906 /nfs/dbraw/zinc/21/79/06/564217906.db2.gz ZOUZOHYUBCMMJZ-UHFFFAOYSA-N -1 0 376.459 3.155 50 0 GGAARM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)cs2)no1 ZINC000006681793 564227219 /nfs/dbraw/zinc/22/72/19/564227219.db2.gz NPJSBONZCGHYII-UHFFFAOYSA-N -1 0 381.410 3.237 50 0 GGAARM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000007709567 564239718 /nfs/dbraw/zinc/23/97/18/564239718.db2.gz MXQAVCCFPCGVFJ-UHFFFAOYSA-N -1 0 390.280 3.488 50 0 GGAARM COc1ccc(Br)cc1C(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000008189208 564247324 /nfs/dbraw/zinc/24/73/24/564247324.db2.gz PJPSLCQAKADKIO-UHFFFAOYSA-N -1 0 380.194 3.173 50 0 GGAARM CCN1c2cc([N-]S(=O)(=O)c3cccs3)ccc2OCC(C)(C)C1=O ZINC000009170432 564252839 /nfs/dbraw/zinc/25/28/39/564252839.db2.gz FQHSBJRTJGUJFU-UHFFFAOYSA-N -1 0 380.491 3.320 50 0 GGAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)C(C)(C)CO3)s1 ZINC000009173486 564253326 /nfs/dbraw/zinc/25/33/26/564253326.db2.gz OIYXVZQSEUCBLS-UHFFFAOYSA-N -1 0 380.491 3.468 50 0 GGAARM Cc1ccccc1NC(=O)CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1 ZINC000009761957 564254122 /nfs/dbraw/zinc/25/41/22/564254122.db2.gz FFPFGNYMHUZETQ-UHFFFAOYSA-N -1 0 395.893 3.491 50 0 GGAARM Cc1ccc(NC(=O)CSC2=Nc3ccc(Cl)cc3S(=O)(=O)[N-]2)cc1 ZINC000009761959 564254449 /nfs/dbraw/zinc/25/44/49/564254449.db2.gz WBRGMAGDYPBVIK-UHFFFAOYSA-N -1 0 395.893 3.491 50 0 GGAARM O=C(NCc1ccc(F)cc1)c1csc([N-]S(=O)(=O)c2cccs2)n1 ZINC000011693216 564264526 /nfs/dbraw/zinc/26/45/26/564264526.db2.gz ZBVSMTSSLFTIKP-UHFFFAOYSA-N -1 0 397.478 3.075 50 0 GGAARM O=C([O-])c1ccc(NC(=O)c2cc3c(cc2Br)OCCO3)cc1 ZINC000011689868 564265018 /nfs/dbraw/zinc/26/50/18/564265018.db2.gz NWGTUSFEGCTWEP-UHFFFAOYSA-N -1 0 378.178 3.171 50 0 GGAARM O=C(Nc1cccc(F)c1)c1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000012628027 564269104 /nfs/dbraw/zinc/26/91/04/564269104.db2.gz NHXQSECTPWYJBD-UHFFFAOYSA-N -1 0 377.422 3.335 50 0 GGAARM O=C(Nc1cccc(F)c1)c1csc([N-]S(=O)(=O)c2cccs2)n1 ZINC000012627866 564269369 /nfs/dbraw/zinc/26/93/69/564269369.db2.gz KVSIXWUIFRZIBZ-UHFFFAOYSA-N -1 0 383.451 3.397 50 0 GGAARM O=C(Nc1ccc(F)cc1)c1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000012628029 564269806 /nfs/dbraw/zinc/26/98/06/564269806.db2.gz SZVWCCFYCDJDMY-UHFFFAOYSA-N -1 0 377.422 3.335 50 0 GGAARM O=C(Cc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1)N1CCCC1 ZINC000013848691 564278079 /nfs/dbraw/zinc/27/80/79/564278079.db2.gz LGFBELMGOXDFSW-UHFFFAOYSA-N -1 0 378.881 3.306 50 0 GGAARM O=C(C1CC1)N1CCc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc21 ZINC000013696936 564278376 /nfs/dbraw/zinc/27/83/76/564278376.db2.gz JSTSJMHIFURKMG-UHFFFAOYSA-N -1 0 376.865 3.440 50 0 GGAARM O=C([O-])/C=C/c1cc(Br)ccc1OCC(=O)NCc1ccccc1 ZINC000013747833 564278553 /nfs/dbraw/zinc/27/85/53/564278553.db2.gz VRKWTPXTRNDVER-RMKNXTFCSA-N -1 0 390.233 3.242 50 0 GGAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1 ZINC000016099503 564292176 /nfs/dbraw/zinc/29/21/76/564292176.db2.gz KPXQAYHOHJXQDT-UHFFFAOYSA-N -1 0 399.266 3.217 50 0 GGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC3CCCC3)cc2)no1 ZINC000017077810 564297137 /nfs/dbraw/zinc/29/71/37/564297137.db2.gz TWEZJMGWCWFQIQ-UHFFFAOYSA-N -1 0 380.495 3.013 50 0 GGAARM Cc1ccc(N2C(=O)C[C@H](Sc3ncccc3C(=O)[O-])C2=O)cc1Cl ZINC000019881893 564304475 /nfs/dbraw/zinc/30/44/75/564304475.db2.gz WZCGPOMRECMBOE-ZDUSSCGKSA-N -1 0 376.821 3.166 50 0 GGAARM O=C([O-])C1CCN(C(=O)CCn2ccc3ccc(Br)cc32)CC1 ZINC000020720342 564307502 /nfs/dbraw/zinc/30/75/02/564307502.db2.gz MNHVZVFFCQHFBZ-UHFFFAOYSA-N -1 0 379.254 3.117 50 0 GGAARM CSCC[C@H](NC(=O)Cc1csc(-c2ccccc2Cl)n1)C(=O)[O-] ZINC000020730157 564307630 /nfs/dbraw/zinc/30/76/30/564307630.db2.gz AHZAAIBOVDQXMA-ZDUSSCGKSA-N -1 0 384.910 3.329 50 0 GGAARM Cc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000023157713 564322388 /nfs/dbraw/zinc/32/23/88/564322388.db2.gz UDIVPRAGILVMPT-CQSZACIVSA-N -1 0 378.885 3.004 50 0 GGAARM O=C([O-])[C@@H](Cc1ccccc1Br)NC(=O)OCc1ccccc1 ZINC000034248175 564414253 /nfs/dbraw/zinc/41/42/53/564414253.db2.gz OTRUVLWVVBIRGJ-OAHLLOKOSA-N -1 0 378.222 3.371 50 0 GGAARM COc1ccc(Cl)cc1[C@H](C(=O)[O-])N1CCN(Cc2ccsc2)CC1 ZINC000095392243 564898635 /nfs/dbraw/zinc/89/86/35/564898635.db2.gz XHXYGBFPZYMUAG-QGZVFWFLSA-N -1 0 380.897 3.354 50 0 GGAARM CC(C)[C@@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)C(=O)[O-] ZINC000095482649 564900246 /nfs/dbraw/zinc/90/02/46/564900246.db2.gz XOPWFFWQSQUSLL-CQSZACIVSA-N -1 0 397.294 3.341 50 0 GGAARM O=C(Nc1ccccc1Br)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100662946 564914882 /nfs/dbraw/zinc/91/48/82/564914882.db2.gz OJTMIBPGTKIZFO-UHFFFAOYSA-N -1 0 385.217 3.278 50 0 GGAARM O=c1c2[n-][nH]n(Cc3cccc(Cl)c3)c=2c(=O)n1-c1ccc(Cl)cc1 ZINC000101167768 564915519 /nfs/dbraw/zinc/91/55/19/564915519.db2.gz OTEGVCUJSYNQQJ-HUUCEWRRSA-N -1 0 375.215 3.487 50 0 GGAARM O=[S@@](c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1)C(F)(F)F ZINC000685939552 567311949 /nfs/dbraw/zinc/31/19/49/567311949.db2.gz MONQKQZVBJTKCK-QHCPKHFHSA-N -1 0 385.335 3.393 50 0 GGAARM COC(=O)c1cc(-c2ccc(OC)cc2)c2c(=O)n(-c3ccccc3)nc-2[n-]1 ZINC000000644714 570213984 /nfs/dbraw/zinc/21/39/84/570213984.db2.gz DQJFYONPLREBHL-UHFFFAOYSA-N -1 0 375.384 3.176 50 0 GGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)n1 ZINC000000671492 570215686 /nfs/dbraw/zinc/21/56/86/570215686.db2.gz FJIXQAFJDREQSB-UHFFFAOYSA-N -1 0 396.472 3.455 50 0 GGAARM O=C([O-])c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 ZINC000000692812 570218395 /nfs/dbraw/zinc/21/83/95/570218395.db2.gz ZEEUOYNUJQOQKR-UHFFFAOYSA-N -1 0 390.351 3.026 50 0 GGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3OC)C2)cc1 ZINC000000710148 570219389 /nfs/dbraw/zinc/21/93/89/570219389.db2.gz LFQAKZBIGUUGEL-GOSISDBHSA-N -1 0 382.416 3.246 50 0 GGAARM CC1(C)Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C(=O)[O-])CO1 ZINC000000751898 570221927 /nfs/dbraw/zinc/22/19/27/570221927.db2.gz ATSWBWHRHAQVFM-UHFFFAOYSA-N -1 0 390.486 3.424 50 0 in-vitro GGAARM CCOC(=O)[C@H]1CCCN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])C1 ZINC000000799500 570223897 /nfs/dbraw/zinc/22/38/97/570223897.db2.gz JCMIEYZVYRHURF-HNNXBMFYSA-N -1 0 381.428 3.467 50 0 GGAARM CCOC(=O)[C@@H]1CCCN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])C1 ZINC000000799501 570223990 /nfs/dbraw/zinc/22/39/90/570223990.db2.gz JCMIEYZVYRHURF-OAHLLOKOSA-N -1 0 381.428 3.467 50 0 GGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cccs3)C2)cc1OC ZINC000000801916 570224358 /nfs/dbraw/zinc/22/43/58/570224358.db2.gz STOHYNOKIIKKCY-CQSZACIVSA-N -1 0 388.445 3.308 50 0 GGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)no1 ZINC000000888866 570228280 /nfs/dbraw/zinc/22/82/80/570228280.db2.gz KZURJJRRPCEASN-RMKNXTFCSA-N -1 0 389.458 3.497 50 0 GGAARM O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2ccccc2OC(F)F)C1=O ZINC000019902806 570228914 /nfs/dbraw/zinc/22/89/14/570228914.db2.gz DBBWWWXXEJDEBS-AWEZNQCLSA-N -1 0 393.367 3.410 50 0 GGAARM C[C@H](CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccccc1 ZINC000000917540 570229927 /nfs/dbraw/zinc/22/99/27/570229927.db2.gz WNGCRAXPYFJWHB-OAHLLOKOSA-N -1 0 396.472 3.410 50 0 GGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)n1 ZINC000000939852 570230234 /nfs/dbraw/zinc/23/02/34/570230234.db2.gz ZAJBYNVHKXKOHU-UHFFFAOYSA-N -1 0 388.493 3.413 50 0 GGAARM O=C([O-])c1ccc(-c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)o2)cc1 ZINC000000978808 570233025 /nfs/dbraw/zinc/23/30/25/570233025.db2.gz PBRCPUKRPJYRTF-WQRHYEAKSA-N -1 0 388.404 3.415 50 0 GGAARM O=C1O[C@H](Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c2ccccc21 ZINC000000986609 570233231 /nfs/dbraw/zinc/23/32/31/570233231.db2.gz TYARHTVRLDOZJF-SFHVURJKSA-N -1 0 381.413 3.164 50 0 GGAARM Cn1nc(C(F)(F)F)c(-c2ccc(F)cc2)c1NC(=O)CSCC(=O)[O-] ZINC000001029139 570235953 /nfs/dbraw/zinc/23/59/53/570235953.db2.gz QHSVINDNNLTNEP-UHFFFAOYSA-N -1 0 391.346 3.001 50 0 GGAARM COC(=O)c1c(NC(=O)c2ccccc2C(=O)[O-])sc2c1CC(C)(C)OC2 ZINC000020100226 570239339 /nfs/dbraw/zinc/23/93/39/570239339.db2.gz PMYXAVDNRORGCR-UHFFFAOYSA-N -1 0 389.429 3.337 50 0 GGAARM Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc2c(c1)C(=O)N(C(C)(C)C)C2=O ZINC000001148176 570248734 /nfs/dbraw/zinc/24/87/34/570248734.db2.gz ODVGACBXGITLPH-UHFFFAOYSA-N -1 0 380.400 3.340 50 0 GGAARM Cc1cc(C)nc([N-]c2nc(CC(=O)Nc3ccc4c[nH]nc4c3)cs2)n1 ZINC000049029523 570260325 /nfs/dbraw/zinc/26/03/25/570260325.db2.gz UYRCBYSYFVLFNL-UHFFFAOYSA-N -1 0 379.449 3.351 50 0 GGAARM Cc1cc(C)nc([N-]c2nc(CC(=O)N3CCc4ccccc4C3)cs2)n1 ZINC000049029461 570260389 /nfs/dbraw/zinc/26/03/89/570260389.db2.gz VJHUHSAEYVNWRR-UHFFFAOYSA-N -1 0 379.489 3.421 50 0 GGAARM O=C(Nc1nc(-c2cccnc2)cs1)c1csc([N-]c2ncccn2)n1 ZINC000049032144 570261048 /nfs/dbraw/zinc/26/10/48/570261048.db2.gz WYWKDPKOHHYTEK-UHFFFAOYSA-N -1 0 381.446 3.448 50 0 GGAARM COc1ccc(-c2c(C)[n-]n3c2nc(CSc2nccc(C)n2)cc3=O)cc1 ZINC000100137773 570266940 /nfs/dbraw/zinc/26/69/40/570266940.db2.gz GWHHEGXCQCXVJF-UHFFFAOYSA-N -1 0 393.472 3.397 50 0 GGAARM CSCC[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2C)cc1)C(=O)[O-] ZINC000001795979 570268703 /nfs/dbraw/zinc/26/87/03/570268703.db2.gz LNDYBZOIEYVQNT-MRXNPFEDSA-N -1 0 395.502 3.272 50 0 GGAARM CCOC(=O)c1c([O-])c2cnc(-c3ccccc3)nc2n(CCC(C)C)c1=O ZINC000100227237 570269499 /nfs/dbraw/zinc/26/94/99/570269499.db2.gz POBGEMGFJYLHGB-UHFFFAOYSA-N -1 0 381.432 3.387 50 0 GGAARM CC(=O)c1[n-]n(-c2cccc(Cl)c2C)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000100740963 570275965 /nfs/dbraw/zinc/27/59/65/570275965.db2.gz YWDVPLBEQHJTIH-HKUYNNGSSA-N -1 0 395.846 3.280 50 0 GGAARM O=C([O-])c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 ZINC000002169259 570276887 /nfs/dbraw/zinc/27/68/87/570276887.db2.gz ZMYMTYKHZAADTA-GDNBJRDFSA-N -1 0 382.397 3.060 50 0 GGAARM O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(Cc2cccnc2)CC1 ZINC000020732204 570277577 /nfs/dbraw/zinc/27/75/77/570277577.db2.gz KGZLOIJIBWDWCS-IBGZPJMESA-N -1 0 384.867 3.160 50 0 GGAARM COc1cccc(-c2nc(CC(=O)N[C@@H](C(=O)[O-])c3ccccc3)cs2)c1 ZINC000020734165 570277839 /nfs/dbraw/zinc/27/78/39/570277839.db2.gz BIOLPVPIYIRCQG-GOSISDBHSA-N -1 0 382.441 3.303 50 0 GGAARM Cc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@@H](c2ccccc2)CC(C)=N3)cc1 ZINC000100877584 570278897 /nfs/dbraw/zinc/27/88/97/570278897.db2.gz DXYSVEWCRKGXKK-QGZVFWFLSA-N -1 0 381.461 3.306 50 0 GGAARM Cc1ccc(S(=O)(=O)[N-]c2nc3n(n2)[C@H](c2ccccc2)CC(C)=N3)cc1 ZINC000100877581 570278920 /nfs/dbraw/zinc/27/89/20/570278920.db2.gz DXYSVEWCRKGXKK-KRWDZBQOSA-N -1 0 381.461 3.306 50 0 GGAARM Cc1occc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1 ZINC000002503153 570288925 /nfs/dbraw/zinc/28/89/25/570288925.db2.gz BMJRUKFONIEDAE-UHFFFAOYSA-N -1 0 386.433 3.048 50 0 GGAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CC3=CSC4=NCCCN34)C2)cc1 ZINC000102472615 570289204 /nfs/dbraw/zinc/28/92/04/570289204.db2.gz NPRSACYOZQZDFN-MRXNPFEDSA-N -1 0 385.489 3.131 50 0 GGAARM CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](O)C(=O)[O-] ZINC000002583270 570291592 /nfs/dbraw/zinc/29/15/92/570291592.db2.gz HZHTWMSZVZTEEL-UXHICEINSA-N -1 0 383.444 3.385 50 0 GGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)n1 ZINC000002709476 570295671 /nfs/dbraw/zinc/29/56/71/570295671.db2.gz ZCAQQGVZDRQLKO-UHFFFAOYSA-N -1 0 396.472 3.157 50 0 GGAARM COc1ccc(C2=NO[C@](CC(=O)[O-])(C(=O)Nc3ccc(C)cc3C)C2)cc1 ZINC000015972081 570303961 /nfs/dbraw/zinc/30/39/61/570303961.db2.gz ORRWBHUYPWWCQM-OAQYLSRUSA-N -1 0 382.416 3.289 50 0 GGAARM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)cc1C ZINC000002860429 570311051 /nfs/dbraw/zinc/31/10/51/570311051.db2.gz XBVBGCRTRFCRQE-UHFFFAOYSA-N -1 0 399.852 3.010 50 0 GGAARM CCc1n[n-]c(=NN2C(=O)c3ccccc3[C@]2(O)c2ccc(Cl)cc2)s1 ZINC000002874563 570314410 /nfs/dbraw/zinc/31/44/10/570314410.db2.gz YKVQPAYAPJKQEA-GOSISDBHSA-N -1 0 386.864 3.430 50 0 GGAARM O=C([O-])CCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000000798806 570339634 /nfs/dbraw/zinc/33/96/34/570339634.db2.gz QQKBMNYOKYFORD-KRWDZBQOSA-N -1 0 380.400 3.348 50 0 GGAARM O=C([O-])CCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc2c(c1)OCO2 ZINC000000798805 570339719 /nfs/dbraw/zinc/33/97/19/570339719.db2.gz QQKBMNYOKYFORD-QGZVFWFLSA-N -1 0 380.400 3.348 50 0 GGAARM Cc1cccc(NC(=O)CSC2=Nc3ccc(F)cc3S(=O)(=O)[N-]2)c1C ZINC000004853612 570348433 /nfs/dbraw/zinc/34/84/33/570348433.db2.gz XHSRPULACHUXCB-UHFFFAOYSA-N -1 0 393.465 3.285 50 0 GGAARM CN(C)c1ccc2c(c1)Sc1cc(N(C)C)ccc1N2C(=O)NCC(=O)[O-] ZINC000038394021 570372281 /nfs/dbraw/zinc/37/22/81/570372281.db2.gz XUJZNKFIBZHDKL-UHFFFAOYSA-N -1 0 386.477 3.216 50 0 GGAARM O=C([O-])C[C@H]1Sc2nc3c(n2[C@@]1(O)c1ccccc1)-c1ccccc1OC3 ZINC000004398558 570373630 /nfs/dbraw/zinc/37/36/30/570373630.db2.gz STBJPPOOUWMWFL-OXQOHEQNSA-N -1 0 380.425 3.085 50 0 GGAARM CC(C)(C)c1cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])cc(C(C)(C)C)c1O ZINC000222487424 570412318 /nfs/dbraw/zinc/41/23/18/570412318.db2.gz BPJWCLNJPLDWBY-CQSZACIVSA-N -1 0 377.481 3.303 50 0 GGAARM COc1cc(/C=C/c2nc(N)nc(-c3ccccc3[O-])n2)cc(OC)c1OC ZINC000100633246 570420582 /nfs/dbraw/zinc/42/05/82/570420582.db2.gz DOYPSRFPUZDNMU-CMDGGOBGSA-N -1 0 380.404 3.023 50 0 biogenic GGAARM CCC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000239159635 570428253 /nfs/dbraw/zinc/42/82/53/570428253.db2.gz MNKMAHWFZPYVMO-FRRDWIJNSA-N -1 0 390.505 3.358 50 0 GGAARM O=S(=O)([N-]c1ccc(-c2ccc3nncn3n2)cc1)c1ccccc1Cl ZINC000005150828 570428498 /nfs/dbraw/zinc/42/84/98/570428498.db2.gz WFMFNWYONQGFHH-UHFFFAOYSA-N -1 0 385.836 3.246 50 0 GGAARM O=C([O-])C[C@@H]1Sc2nc3c(n2[C@@]1(O)c1ccccc1)-c1ccccc1OC3 ZINC000005294933 570433363 /nfs/dbraw/zinc/43/33/63/570433363.db2.gz STBJPPOOUWMWFL-OXJNMPFZSA-N -1 0 380.425 3.085 50 0 GGAARM CCOC(=O)[C@]1(C)C=C(Nc2ccc(C(=O)[O-])cc2)C(=O)N1c1ccccc1 ZINC000001825943 570436468 /nfs/dbraw/zinc/43/64/68/570436468.db2.gz KIINBVKKUZIAIO-NRFANRHFSA-N -1 0 380.400 3.049 50 0 GGAARM CC[C@@H](C)[C@@H](NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)[O-] ZINC000026771820 570437184 /nfs/dbraw/zinc/43/71/84/570437184.db2.gz JBZBRWDJWNACCC-GIGQVBGESA-N -1 0 385.416 3.314 50 0 GGAARM O=C([N-]c1nonc1-c1ccccc1)c1cc(-c2ccc3c(c2)OCCO3)on1 ZINC000027663025 570438759 /nfs/dbraw/zinc/43/87/59/570438759.db2.gz BYKLUBORFFFSIS-UHFFFAOYSA-N -1 0 390.355 3.415 50 0 GGAARM O=C(Nc1cccc(O)c1)c1cccc(S(=O)(=O)Nc2cccc(O)c2)c1 ZINC000000754839 570479434 /nfs/dbraw/zinc/47/94/34/570479434.db2.gz DAOCXHQUKAUQNJ-UHFFFAOYSA-N -1 0 384.413 3.151 50 0 GGAARM CCc1nc2sc([C@H](c3ccc(F)cc3)N3C[C@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000016690155 570494679 /nfs/dbraw/zinc/49/46/79/570494679.db2.gz CLGVVCAPRHWFPN-MKBNYLNASA-N -1 0 390.484 3.397 50 0 GGAARM Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N3CCC[C@H]3C(=O)[O-])c(C)c21 ZINC000006624150 570508454 /nfs/dbraw/zinc/50/84/54/570508454.db2.gz UZSFDQUTFJZABZ-AWEZNQCLSA-N -1 0 383.400 3.083 50 0 biogenic GGAARM CCn1cc(S(=O)(=O)[N-]c2c(C)nn(Cc3cccc(Cl)c3)c2C)cn1 ZINC000002805058 570517563 /nfs/dbraw/zinc/51/75/63/570517563.db2.gz GCDXMBKKSPFCNZ-UHFFFAOYSA-N -1 0 393.900 3.219 50 0 GGAARM COCCOC(=O)NC(=O)Nc1ccc(C(=O)c2ccc(Cl)cc2)cc1 ZINC000003124049 570518058 /nfs/dbraw/zinc/51/80/58/570518058.db2.gz LVIZEMKLAVJUKO-UHFFFAOYSA-N -1 0 376.796 3.476 50 0 GGAARM O=C(CCCCCn1c(=O)c2ccccc2[n-]c1=S)NCc1ccccn1 ZINC000002970209 570523637 /nfs/dbraw/zinc/52/36/37/570523637.db2.gz OMAWGOBZHFVGFL-UHFFFAOYSA-N -1 0 382.489 3.331 50 0 GGAARM O=C([O-])[C@@H](O)[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000253186030 570527945 /nfs/dbraw/zinc/52/79/45/570527945.db2.gz RCCHOIFXNCAKGF-VLIAUNLRSA-N -1 0 381.428 3.093 50 0 GGAARM CCCn1c(=O)c2ccc(C(=O)N3CCc4ccccc4C3)cc2[n-]c1=S ZINC000003043587 570531039 /nfs/dbraw/zinc/53/10/39/570531039.db2.gz RYRQNOBXKAVYOD-UHFFFAOYSA-N -1 0 379.485 3.294 50 0 GGAARM COc1cc(NS(=O)(=O)c2ccc(F)c(C)c2)ccc1N1CCCC1=O ZINC000005329422 570554905 /nfs/dbraw/zinc/55/49/05/570554905.db2.gz QMAJMGAYEBRXPO-UHFFFAOYSA-N -1 0 378.425 3.070 50 0 GGAARM Cc1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCOCC2)cc1 ZINC000022852391 570556538 /nfs/dbraw/zinc/55/65/38/570556538.db2.gz PLDYQNPFGQDBQQ-INIZCTEOSA-N -1 0 396.472 3.486 50 0 GGAARM CCc1nc2sc([C@@H](c3ccc(OC)c(OC)c3)N3CCCC3)c([O-])n2n1 ZINC000022853013 570556643 /nfs/dbraw/zinc/55/66/43/570556643.db2.gz HKQIYIYHFMWVEJ-MRXNPFEDSA-N -1 0 388.493 3.261 50 0 GGAARM CCc1nc2sc([C@H](c3ccccc3Cl)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855160 570557508 /nfs/dbraw/zinc/55/75/08/570557508.db2.gz NDNCZHHZCAWGGB-HNNXBMFYSA-N -1 0 392.912 3.258 50 0 GGAARM C[C@@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NCCCC(=O)[O-] ZINC000003071212 570596414 /nfs/dbraw/zinc/59/64/14/570596414.db2.gz MXAWMZLGGCGBRN-CQSZACIVSA-N -1 0 395.411 3.208 50 0 biogenic GGAARM Cc1ccc(Cn2c3ccccc3nc(N3CCC(C(=O)[O-])CC3)c2=O)cc1 ZINC000045795928 570649131 /nfs/dbraw/zinc/64/91/31/570649131.db2.gz FKTNJFQSWWWNMX-UHFFFAOYSA-N -1 0 377.444 3.054 50 0 GGAARM Cc1c2c(cc(=O)n1Cc1ccco1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000012406711 570653962 /nfs/dbraw/zinc/65/39/62/570653962.db2.gz FISMMBUEABWPDP-UHFFFAOYSA-N -1 0 378.413 3.040 50 0 GGAARM O=C([O-])CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc2nccnc2c1 ZINC000012420760 570657661 /nfs/dbraw/zinc/65/76/61/570657661.db2.gz RPLFXKUGBBCGKW-MRXNPFEDSA-N -1 0 380.429 3.234 50 0 GGAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NC[C@@H]2CCCO2)c1 ZINC000017247673 570701931 /nfs/dbraw/zinc/70/19/31/570701931.db2.gz RISSBMBXWCQJPF-HNNXBMFYSA-N -1 0 398.488 3.330 50 0 GGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(F)c3)cc2)no1 ZINC000000942418 570732203 /nfs/dbraw/zinc/73/22/03/570732203.db2.gz ROOLMTBLAKZNJO-UHFFFAOYSA-N -1 0 375.381 3.175 50 0 GGAARM CSCC[C@H](NC(=O)N1CCC(c2nc3ccccc3s2)CC1)C(=O)[O-] ZINC000013623942 570763276 /nfs/dbraw/zinc/76/32/76/570763276.db2.gz BXLGVRBXKHUXLY-AWEZNQCLSA-N -1 0 393.534 3.392 50 0 GGAARM COC(=O)c1cc(-c2oc3c(c2CC(=O)[O-])c(=O)oc2ccccc32)ccc1O ZINC000524729977 570764291 /nfs/dbraw/zinc/76/42/91/570764291.db2.gz PURFCKMWGMBCNJ-UHFFFAOYSA-N -1 0 394.335 3.326 50 0 biogenic GGAARM CC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000100892626 570779520 /nfs/dbraw/zinc/77/95/20/570779520.db2.gz NMQDUOSWDARETR-IEBWSBKVSA-N -1 0 395.846 3.280 50 0 GGAARM C[C@H]1c2cc([N-]S(=O)(=O)c3cc(F)ccc3F)cc3c2N(CCC3)C1=O ZINC000101078684 570793771 /nfs/dbraw/zinc/79/37/71/570793771.db2.gz ROOMJEYLWYIKBD-JTQLQIEISA-N -1 0 378.400 3.162 50 0 GGAARM O=C([O-])c1cccc(NC(=O)c2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2)c1 ZINC000013845993 570794683 /nfs/dbraw/zinc/79/46/83/570794683.db2.gz KMQNNXOMVBWSSP-ROUUACIJSA-N -1 0 392.411 3.317 50 0 GGAARM COC(=O)c1[nH]c2ccc(C)cc2c1[N-]S(=O)(=O)c1cc(C)ccc1OC ZINC000018069064 570798730 /nfs/dbraw/zinc/79/87/30/570798730.db2.gz CXXGVAUGTWVJLM-UHFFFAOYSA-N -1 0 388.445 3.381 50 0 GGAARM O=C1[C@@H]2C(c3ccc(F)cc3)=NO[C@@H]2C(=O)N1c1ccccc1C(F)(F)F ZINC000101211043 570817823 /nfs/dbraw/zinc/81/78/23/570817823.db2.gz DYYJQEBZCSKBGN-HIFRSBDPSA-N -1 0 378.281 3.137 50 0 GGAARM Cc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccccc4C)nnn32)cc1 ZINC000101353390 570819806 /nfs/dbraw/zinc/81/98/06/570819806.db2.gz BGPHGQCSKSXEOO-KRWDZBQOSA-N -1 0 389.415 3.131 50 0 GGAARM CCc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(Cl)c4)c(=O)c2=3)cc1 ZINC000101417915 570822752 /nfs/dbraw/zinc/82/27/52/570822752.db2.gz HOXPTBQYHKVMQU-ZWKOTPCHSA-N -1 0 398.850 3.404 50 0 GGAARM C/C(=C/C(=O)Nc1ccc(S[C@H](C)C(=O)Nc2cc(C)on2)cc1)C(=O)[O-] ZINC000037018965 570833264 /nfs/dbraw/zinc/83/32/64/570833264.db2.gz ULQYAZHRZWFWFJ-VPUINMBXSA-N -1 0 389.433 3.072 50 0 GGAARM Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000014255984 570839263 /nfs/dbraw/zinc/83/92/63/570839263.db2.gz JQEQVKMYHLNDLH-UHFFFAOYSA-N -1 0 385.445 3.061 50 0 GGAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000014256791 570839364 /nfs/dbraw/zinc/83/93/64/570839364.db2.gz XMJJMVKVSYBZNP-UHFFFAOYSA-N -1 0 384.461 3.248 50 0 GGAARM O=C([O-])C1=Nc2c(C(=O)Nc3cccc(F)c3)cnn2[C@@H](c2ccccc2)C1 ZINC000102810814 570864871 /nfs/dbraw/zinc/86/48/71/570864871.db2.gz LVHZFAJVICFUNO-QGZVFWFLSA-N -1 0 378.363 3.258 50 0 GGAARM O=C([O-])C1=Nc2c(C(=O)Nc3cccc(F)c3)cnn2[C@H](c2ccccc2)C1 ZINC000102810812 570864966 /nfs/dbraw/zinc/86/49/66/570864966.db2.gz LVHZFAJVICFUNO-KRWDZBQOSA-N -1 0 378.363 3.258 50 0 GGAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(F)cc3)cnn2[C@H](c2ccccc2F)C1 ZINC000102820689 570865917 /nfs/dbraw/zinc/86/59/17/570865917.db2.gz DWRMBKVFDWNJKD-KRWDZBQOSA-N -1 0 396.353 3.397 50 0 GGAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccccc2)cc1 ZINC000102901128 570870845 /nfs/dbraw/zinc/87/08/45/570870845.db2.gz ARMNNMYZCBWUOK-GOSISDBHSA-N -1 0 390.399 3.127 50 0 GGAARM Cc1nc2sc([C@H](c3cccc(F)c3)N3C[C@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000104206639 570898069 /nfs/dbraw/zinc/89/80/69/570898069.db2.gz IEVXCZBUXQZCHV-PGUXBMHVSA-N -1 0 376.457 3.143 50 0 GGAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000013737125 570900939 /nfs/dbraw/zinc/90/09/39/570900939.db2.gz QAKXQCLBWONOIG-HOTGVXAUSA-N -1 0 397.302 3.305 50 0 GGAARM Cc1ccc(NC(=O)CSc2nc([O-])cc(=O)n2-c2ccc(C)cc2)cc1 ZINC000015899855 570908337 /nfs/dbraw/zinc/90/83/37/570908337.db2.gz KWXJXNUXNIXARI-UHFFFAOYSA-N -1 0 381.457 3.286 50 0 GGAARM CCOc1ccc(NC(=O)CSc2nc([O-])cc(=O)n2-c2ccccc2)cc1 ZINC000015837177 570909322 /nfs/dbraw/zinc/90/93/22/570909322.db2.gz FIWWLDVDVRKUEE-UHFFFAOYSA-N -1 0 397.456 3.068 50 0 GGAARM CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)[O-])ccc12 ZINC000015953900 570910277 /nfs/dbraw/zinc/91/02/77/570910277.db2.gz KZSXEVWCVFPLEU-SUMWQHHRSA-N -1 0 389.448 3.128 50 0 GGAARM COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000023157292 570920328 /nfs/dbraw/zinc/92/03/28/570920328.db2.gz IGYFOWGPMVMYAL-BFQNTYOBSA-N -1 0 388.493 3.012 50 0 GGAARM CC1=C(C)C[C@H](C(=O)NNC(=O)c2csc3c2CC[C@H](C)C3)[C@H](C(=O)[O-])C1 ZINC000245239441 570923714 /nfs/dbraw/zinc/92/37/14/570923714.db2.gz IXOXXWRWIWPKDB-NZVBXONLSA-N -1 0 390.505 3.081 50 0 GGAARM CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(=O)[n-]2)cc1 ZINC000016777398 570932870 /nfs/dbraw/zinc/93/28/70/570932870.db2.gz BTJPPSZNUWTROO-UHFFFAOYSA-N -1 0 382.445 3.374 50 0 GGAARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=C1C[C@H](c2ccccc2)NN1 ZINC000016996355 570936605 /nfs/dbraw/zinc/93/66/05/570936605.db2.gz CFMOQUORDGESLR-PQDJCJPTSA-N -1 0 382.807 3.256 50 0 GGAARM O=C([O-])[C@@H](Cc1ccncn1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000226854327 570936626 /nfs/dbraw/zinc/93/66/26/570936626.db2.gz XIIRNDKJGHFBNS-HXUWFJFHSA-N -1 0 389.411 3.011 50 0 GGAARM COc1ccccc1[N-]S(=O)(=O)c1csc(C(=O)Nc2cc(C)on2)c1 ZINC000006681789 570938106 /nfs/dbraw/zinc/93/81/06/570938106.db2.gz OHXMCUWGQYDHES-UHFFFAOYSA-N -1 0 393.446 3.106 50 0 GGAARM O=C([O-])CCC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000017077415 570939424 /nfs/dbraw/zinc/93/94/24/570939424.db2.gz SSGMHVOEJGBROL-UHFFFAOYSA-N -1 0 378.494 3.493 50 0 GGAARM O=C([O-])CCCC(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2 ZINC000017077418 570939434 /nfs/dbraw/zinc/93/94/34/570939434.db2.gz OFFWIAUPDUOINV-UHFFFAOYSA-N -1 0 378.494 3.446 50 0 GGAARM NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000017078457 570939972 /nfs/dbraw/zinc/93/99/72/570939972.db2.gz RYQCKDJRVXFCPB-LSDHHAIUSA-N -1 0 384.457 3.043 50 0 GGAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCCC2 ZINC000017079687 570940371 /nfs/dbraw/zinc/94/03/71/570940371.db2.gz KWYUYBQCBIIDEB-OLZOCXBDSA-N -1 0 390.505 3.349 50 0 GGAARM NC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000017079671 570940408 /nfs/dbraw/zinc/94/04/08/570940408.db2.gz UOTUSLWQGGSRGR-FBDPFYNOSA-N -1 0 390.505 3.191 50 0 GGAARM COC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1-c1ccc(OC)cc1CC2 ZINC000017079463 570940427 /nfs/dbraw/zinc/94/04/27/570940427.db2.gz DTSLFSSYJSEKJO-UHFFFAOYSA-N -1 0 389.429 3.112 50 0 GGAARM C[C@@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NCc2ccco2)C1 ZINC000017079641 570940490 /nfs/dbraw/zinc/94/04/90/570940490.db2.gz IJQGNZWMLPSCHB-LLVKDONJSA-N -1 0 390.461 3.199 50 0 GGAARM CCCc1cc(=O)oc2cc(OCC(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000002093445 570940507 /nfs/dbraw/zinc/94/05/07/570940507.db2.gz OWIDENJXOUJICE-NRFANRHFSA-N -1 0 395.411 3.066 50 0 biogenic GGAARM CCCC[C@H](NC(=O)COc1ccc2c(CCC)cc(=O)oc2c1C)C(=O)[O-] ZINC000002093067 570940570 /nfs/dbraw/zinc/94/05/70/570940570.db2.gz DTNAANVQNKVHBL-INIZCTEOSA-N -1 0 389.448 3.192 50 0 biogenic GGAARM CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCCCCCC(=O)[O-])ccc12 ZINC000002096100 570941314 /nfs/dbraw/zinc/94/13/14/570941314.db2.gz XOHCKINYCZVQBV-AWEZNQCLSA-N -1 0 389.448 3.192 50 0 biogenic GGAARM NC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CCc1ccccc1-2 ZINC000017081479 570941273 /nfs/dbraw/zinc/94/12/73/570941273.db2.gz FSCOARKBWGDKAX-KBPBESRZSA-N -1 0 398.484 3.442 50 0 GGAARM Cc1oc2c(cc3c(C)c(CC(=O)NCCCC(=O)[O-])c(=O)oc3c2C)c1C ZINC000002099306 570941741 /nfs/dbraw/zinc/94/17/41/570941741.db2.gz UTFJZDJVDXVUKM-UHFFFAOYSA-N -1 0 385.416 3.296 50 0 biogenic GGAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCC(=O)[O-])occ3-c1ccccc1 ZINC000002098727 570941762 /nfs/dbraw/zinc/94/17/62/570941762.db2.gz SGSDBIKDAZGKDY-UHFFFAOYSA-N -1 0 391.379 3.258 50 0 biogenic GGAARM COc1ccc2c(C)c(CCC(=O)NCCCCCC(=O)[O-])c(=O)oc2c1C ZINC000002098417 570941793 /nfs/dbraw/zinc/94/17/93/570941793.db2.gz XYKAWHZVKFZWJU-UHFFFAOYSA-N -1 0 389.448 3.112 50 0 biogenic GGAARM Cc1coc2cc3oc(=O)c(CCC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c3cc12 ZINC000002108094 570948504 /nfs/dbraw/zinc/94/85/04/570948504.db2.gz PYULVGRVKXCJOD-IBGZPJMESA-N -1 0 385.416 3.314 50 0 biogenic GGAARM Cc1c(C)c2ccc(O[C@@H](C)C(=O)NCCCCCC(=O)[O-])c(C)c2oc1=O ZINC000002107023 570948529 /nfs/dbraw/zinc/94/85/29/570948529.db2.gz OOVGZGABOJYMCZ-HNNXBMFYSA-N -1 0 389.448 3.247 50 0 biogenic GGAARM CC[C@@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)[O-] ZINC000002107664 570948643 /nfs/dbraw/zinc/94/86/43/570948643.db2.gz ICFJHZSMJISNHR-MRXNPFEDSA-N -1 0 385.416 3.295 50 0 biogenic GGAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCC(=O)[O-])occ3C(C)(C)C ZINC000002113251 570950569 /nfs/dbraw/zinc/95/05/69/570950569.db2.gz FTJWYLUOJYQSAK-UHFFFAOYSA-N -1 0 385.416 3.279 50 0 biogenic GGAARM C[C@]12c3[nH]c4ccccc4c3CCN1C(=O)N(c1cccc(C(=O)[O-])c1)C2=O ZINC000002111596 570950759 /nfs/dbraw/zinc/95/07/59/570950759.db2.gz KWPKGKJDUAFHJH-OAQYLSRUSA-N -1 0 375.384 3.106 50 0 GGAARM O=C([O-])c1cccnc1S[C@H]1CC(=O)N(c2cccc3ccccc32)C1=O ZINC000001280981 570953937 /nfs/dbraw/zinc/95/39/37/570953937.db2.gz WUOCCCDJNUTMDI-INIZCTEOSA-N -1 0 378.409 3.357 50 0 GGAARM COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(C4CC4)c3C)C2=O)c1 ZINC000001161139 570954144 /nfs/dbraw/zinc/95/41/44/570954144.db2.gz NJWLEOFPPWRMEJ-VCHYOVAHSA-N -1 0 379.416 3.115 50 0 GGAARM Cc1c2occ(C(C)(C)C)c2cc2c(C)c(CC(=O)NCC(=O)[O-])c(=O)oc12 ZINC000002121018 570955964 /nfs/dbraw/zinc/95/59/64/570955964.db2.gz MUAVPUGXKFDWHL-UHFFFAOYSA-N -1 0 385.416 3.197 50 0 biogenic GGAARM COc1cccc2cc(-c3cc(=O)oc4cc(OCC(=O)[O-])ccc43)c(=O)oc21 ZINC000002136772 570962445 /nfs/dbraw/zinc/96/24/45/570962445.db2.gz JWBDUBVKFCDBBH-UHFFFAOYSA-N -1 0 394.335 3.038 50 0 biogenic GGAARM Cc1c(C)c2ccc(OCC(=O)N[C@H](C(=O)[O-])c3ccccc3)c(C)c2oc1=O ZINC000002146664 570971772 /nfs/dbraw/zinc/97/17/72/570971772.db2.gz YWJHJPLLTWZKRL-IBGZPJMESA-N -1 0 395.411 3.039 50 0 biogenic GGAARM O=C([O-])[C@@H](O)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000725240584 570974959 /nfs/dbraw/zinc/97/49/59/570974959.db2.gz PENZOPQDRUIPBT-FQEVSTJZSA-N -1 0 381.428 3.093 50 0 GGAARM COc1ccc(F)c(F)c1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](C(=O)[O-])C1 ZINC000091486613 571011034 /nfs/dbraw/zinc/01/10/34/571011034.db2.gz LXYMWACLAJACNT-QWHCGFSZSA-N -1 0 379.334 3.053 50 0 GGAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3ccccc3-c3nc[nH]n3)C2)c1 ZINC000095352854 571050603 /nfs/dbraw/zinc/05/06/03/571050603.db2.gz PBFGCZRHACWNLZ-MRXNPFEDSA-N -1 0 376.416 3.190 50 0 GGAARM CCc1nc(C)ccc1OCC(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095355477 571051909 /nfs/dbraw/zinc/05/19/09/571051909.db2.gz LAKPMJYARJBQFM-GOSISDBHSA-N -1 0 382.460 3.436 50 0 GGAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3nc4ccccc4c(=O)[nH]3)C2)c1 ZINC000095358860 571053864 /nfs/dbraw/zinc/05/38/64/571053864.db2.gz TYJGQRCQFQQKDI-HNNXBMFYSA-N -1 0 377.400 3.053 50 0 GGAARM O=C([O-])c1cccc(C[C@H]2CCN(C(=O)c3ccc(-n4cccn4)cc3)C2)c1 ZINC000095359414 571054276 /nfs/dbraw/zinc/05/42/76/571054276.db2.gz WWYVGLKJVSNADR-QGZVFWFLSA-N -1 0 375.428 3.275 50 0 GGAARM O=C([O-])[C@@]12CN(C(=O)c3cc(Cl)ccc3F)C[C@@H]1c1ccccc1OC2 ZINC000095359777 571054464 /nfs/dbraw/zinc/05/44/64/571054464.db2.gz SKKFXYHFVXOTBB-AUUYWEPGSA-N -1 0 375.783 3.182 50 0 GGAARM Cc1cc(C)n(-c2cccc(CN3CCCn4nc(CCC(=O)[O-])cc4C3)c2)n1 ZINC000095362716 571056475 /nfs/dbraw/zinc/05/64/75/571056475.db2.gz YJUPKRDGAZTTRA-UHFFFAOYSA-N -1 0 393.491 3.109 50 0 GGAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)COCC(F)(F)C(F)F)C2)c1 ZINC000095363842 571057160 /nfs/dbraw/zinc/05/71/60/571057160.db2.gz WSBIDCUXLSOTSE-ZDUSSCGKSA-N -1 0 377.334 3.008 50 0 GGAARM Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccc(F)cc3F)cc2)n1 ZINC000095370339 571060693 /nfs/dbraw/zinc/06/06/93/571060693.db2.gz AFPLFMVLRGCPAA-GOSISDBHSA-N -1 0 385.370 3.323 50 0 GGAARM Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C(=O)[O-])c3ccc(F)cc3F)cc2)n1 ZINC000095370338 571060902 /nfs/dbraw/zinc/06/09/02/571060902.db2.gz AFPLFMVLRGCPAA-SFHVURJKSA-N -1 0 385.370 3.323 50 0 GGAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3ccc(SCCO)cc3)C2)c1 ZINC000095374291 571063335 /nfs/dbraw/zinc/06/33/35/571063335.db2.gz GUNZUTNLBRGIIE-SFHVURJKSA-N -1 0 385.485 3.489 50 0 GGAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CCNC(=O)c3ccc(F)cc3)C2)cc1 ZINC000095379773 571066790 /nfs/dbraw/zinc/06/67/90/571066790.db2.gz KEVLKPDDEWCJFA-GOSISDBHSA-N -1 0 398.434 3.050 50 0 GGAARM O=C(Nc1n[nH]c(Sc2ncccc2[N+](=O)[O-])n1)C(Cl)=C(Cl)Cl ZINC000002154188 1398304744 /nfs/dbraw/zinc/30/47/44/1398304744.db2.gz KLUYOVFUADTMSW-UHFFFAOYSA-N -1 0 395.615 3.083 50 0 GGAARM CCCCCCc1c(C)c2ccc(OCC(=O)N[C@@H](C)C(=O)[O-])cc2oc1=O ZINC000002129628 1398305169 /nfs/dbraw/zinc/30/51/69/1398305169.db2.gz SSNNGMRBCCUBQG-AWEZNQCLSA-N -1 0 389.448 3.192 50 0 biogenic GGAARM COc1ccc2cnnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)c2c1OC ZINC000002426159 1398311125 /nfs/dbraw/zinc/31/11/25/1398311125.db2.gz XNNCLEUJNDPJLH-UHFFFAOYSA-N -1 0 399.428 3.076 50 0 GGAARM COc1c(C)cc([C@@H](C(=O)[O-])N2CCN(c3ccccc3C#N)CC2)cc1C ZINC000055386446 1406944365 /nfs/dbraw/zinc/94/43/65/1406944365.db2.gz GEKATVCECBUNJJ-FQEVSTJZSA-N -1 0 379.460 3.132 50 0 GGAARM O=C([O-])[C@@H]1CS[C@H](c2ccc(COc3c(F)c(F)c(F)c(F)c3F)o2)N1 ZINC000002758575 1398318760 /nfs/dbraw/zinc/31/87/60/1398318760.db2.gz KCDILKWWFSOJBU-DXRPGJJCSA-N -1 0 395.305 3.342 50 0 GGAARM O=C([O-])[C@H]1CS[C@H](c2ccc(COc3c(F)c(F)c(F)c(F)c3F)o2)N1 ZINC000002758573 1398319130 /nfs/dbraw/zinc/31/91/30/1398319130.db2.gz KCDILKWWFSOJBU-RWBAJPLHSA-N -1 0 395.305 3.342 50 0 GGAARM CCCC[C@H](CC)CNC(=O)C[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O ZINC000002966945 1398323591 /nfs/dbraw/zinc/32/35/91/1398323591.db2.gz QFMZBTJFMFYFRS-BBRMVZONSA-N -1 0 386.521 3.077 50 0 GGAARM O=S(=O)([N-]C(=S)Nc1ccc(Br)cc1)c1cccs1 ZINC000002998329 1398324095 /nfs/dbraw/zinc/32/40/95/1398324095.db2.gz YJQKKUZXXSDMBT-UHFFFAOYSA-N -1 0 377.310 3.186 50 0 GGAARM O=C([O-])[C@H](Cc1c[nH]c2ccc(O)cc12)NC(=O)CCc1c[nH]c2ccccc12 ZINC000004090173 1398380141 /nfs/dbraw/zinc/38/01/41/1398380141.db2.gz KFGFJXBVUJCIIG-FQEVSTJZSA-N -1 0 391.427 3.100 50 0 biogenic GGAARM CC(C)Cn1c2ccccc2c([O-])c(C(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000005444166 1398446336 /nfs/dbraw/zinc/44/63/36/1398446336.db2.gz GERTWCRTSRXRTM-UHFFFAOYSA-N -1 0 394.427 3.022 50 0 GGAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C(=O)NC)c1=O ZINC000005737766 1398472322 /nfs/dbraw/zinc/47/23/22/1398472322.db2.gz ZKBXICQWQOAARV-UHFFFAOYSA-N -1 0 393.443 3.119 50 0 GGAARM O=C(C1CC1)N1CCc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2C1 ZINC000008977353 1398850874 /nfs/dbraw/zinc/85/08/74/1398850874.db2.gz CWGWLXXGKTUWKK-UHFFFAOYSA-N -1 0 392.427 3.060 50 0 GGAARM CC1(C)COc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2NC1=O ZINC000009173504 1398854568 /nfs/dbraw/zinc/85/45/68/1398854568.db2.gz KIVYQBAKLFFIHD-UHFFFAOYSA-N -1 0 382.388 3.123 50 0 GGAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)N3CCCCCC3)cs2)cc1 ZINC000009828552 1398867155 /nfs/dbraw/zinc/86/71/55/1398867155.db2.gz IRSRNIFFAJPYGG-UHFFFAOYSA-N -1 0 393.534 3.197 50 0 GGAARM Cc1ccc2[nH]c(=NC(=O)c3c([O-])c4cccc5c4n(c3=O)CCC5)sc2c1 ZINC000017723859 1399288856 /nfs/dbraw/zinc/28/88/56/1399288856.db2.gz SGKBAPTWNNWRGS-UHFFFAOYSA-N -1 0 391.452 3.246 50 0 GGAARM O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2ccc(OC(F)F)cc2)C1=O ZINC000019867448 1399339666 /nfs/dbraw/zinc/33/96/66/1399339666.db2.gz FVUNDMKBSBSVJL-AWEZNQCLSA-N -1 0 393.367 3.410 50 0 GGAARM Cc1nc(-n2cccc2)sc1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000020761904 1399352954 /nfs/dbraw/zinc/35/29/54/1399352954.db2.gz JRVOGJJUEBCGAC-MRXNPFEDSA-N -1 0 394.456 3.149 50 0 biogenic GGAARM CCCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nnc(CC)s2)cc1 ZINC000022340270 1399454909 /nfs/dbraw/zinc/45/49/09/1399454909.db2.gz AFFROVZNCSKXHD-UHFFFAOYSA-N -1 0 382.511 3.420 50 0 GGAARM CCN1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2cccc(Cl)c2)CC1 ZINC000022458990 1399465650 /nfs/dbraw/zinc/46/56/50/1399465650.db2.gz CFLWTSWYDFAHMF-HNNXBMFYSA-N -1 0 391.928 3.185 50 0 GGAARM CC[C@H](C)[C@H](NC(=O)CCn1ccc2cc(Br)ccc21)C(=O)[O-] ZINC000044690283 1403984893 /nfs/dbraw/zinc/98/48/93/1403984893.db2.gz WFUFRDLDHGCTPI-ZBEGNZNMSA-N -1 0 381.270 3.409 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)CCc2c(C)noc2C)sc1Cc1ccccc1 ZINC000079486077 1409978082 /nfs/dbraw/zinc/97/80/82/1409978082.db2.gz HSESQJXAUUWWPL-UHFFFAOYSA-N -1 0 399.472 3.119 50 0 GGAARM COc1ccc(-c2cnn3c2nccc3-c2c([O-])cc(C)oc2=O)cc1OC ZINC000095478694 1410314567 /nfs/dbraw/zinc/31/45/67/1410314567.db2.gz GTIVCWIGVFLRTA-UHFFFAOYSA-N -1 0 379.372 3.048 50 0 GGAARM CC(C)Cc1sc(=NC(=O)CCC(=O)NC2CCCCCC2)[nH]c1C(=O)[O-] ZINC000095479471 1410314664 /nfs/dbraw/zinc/31/46/64/1410314664.db2.gz QTOOAOPQEQKZQR-UHFFFAOYSA-N -1 0 395.525 3.019 50 0 GGAARM COc1ccc(NC(=O)C[C@@H](c2ccccc2)n2cccc2)cc1-c1nn[n-]n1 ZINC000253407223 1424210949 /nfs/dbraw/zinc/21/09/49/1424210949.db2.gz JQVLATWWYCVFKF-SFHVURJKSA-N -1 0 388.431 3.295 50 0 GGAARM O=C(c1ccccc1-c1nn[n-]n1)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071753378 1424665436 /nfs/dbraw/zinc/66/54/36/1424665436.db2.gz AUSRCMAXZOONOB-MRXNPFEDSA-N -1 0 379.439 3.491 50 0 GGAARM COc1ccc(C(=O)[O-])cc1NC(=O)CSc1nc2ccc(N)cc2s1 ZINC000215677321 1433362033 /nfs/dbraw/zinc/36/20/33/1433362033.db2.gz NZGWSRLMOYQXFM-UHFFFAOYSA-N -1 0 389.458 3.316 50 0 GGAARM COC(=O)C[C@@H](c1ccccc1OCc1ccccn1)c1c([O-])cc(C)oc1=O ZINC000218038681 1433364696 /nfs/dbraw/zinc/36/46/96/1433364696.db2.gz VNNYUCTVRYWZJI-KRWDZBQOSA-N -1 0 395.411 3.323 50 0 biogenic GGAARM COc1cccc(C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2nnn[n-]2)c1 ZINC000005485633 1450173616 /nfs/dbraw/zinc/17/36/16/1450173616.db2.gz JRFMGXSGASOMMR-HNNXBMFYSA-N -1 0 391.353 3.192 50 0 GGAARM COCCN(Cc1ccc(C)s1)C(=O)N[C@@H](C(=O)[O-])c1cccc(C)c1 ZINC000426430654 231220759 /nfs/dbraw/zinc/22/07/59/231220759.db2.gz IIZKLBRMLMVGHY-QGZVFWFLSA-N -1 0 376.478 3.349 50 0 GGAARM Cc1ccc(NC(=O)N2CCC[C@H](c3ccn(CC(=O)[O-])n3)C2)cc1Cl ZINC000426465472 231223572 /nfs/dbraw/zinc/22/35/72/231223572.db2.gz PAYKGDSNXFQRHW-ZDUSSCGKSA-N -1 0 376.844 3.341 50 0 GGAARM CC[C@H](C(=O)NC(C)(C)c1n[n-]c(=N)s1)n1cc(C(C)=O)c2ccccc21 ZINC000426387637 529603808 /nfs/dbraw/zinc/60/38/08/529603808.db2.gz KSZMKJQNIRGDKC-CQSZACIVSA-N -1 0 385.493 3.111 50 0 GGAARM CS(=O)(=O)[N-]c1nc(CC(=O)Nc2cc(Cl)ccc2Cl)cs1 ZINC000013684737 531560994 /nfs/dbraw/zinc/56/09/94/531560994.db2.gz DLNYVDGJHPMFQV-UHFFFAOYSA-N -1 0 380.278 3.003 50 0 GGAARM CC(NCc1cccc(F)c1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2C)C1=O ZINC000005800583 209124670 /nfs/dbraw/zinc/12/46/70/209124670.db2.gz GZOPXHHNYJMUPK-NBVRZTHBSA-N -1 0 381.407 3.089 50 0 GGAARM CCOc1ccc2nc(NC(=O)[N-]S(=O)(=O)c3ccccc3F)sc2c1 ZINC000001415295 209115604 /nfs/dbraw/zinc/11/56/04/209115604.db2.gz LMEKDEUKAFUTML-UHFFFAOYSA-N -1 0 395.437 3.345 50 0 GGAARM O=C(Cn1ccc2ccc(Br)cc21)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238901375 206280544 /nfs/dbraw/zinc/28/05/44/206280544.db2.gz LTFBZNCMYZNBFQ-MQMHXKEQSA-N -1 0 393.281 3.411 50 0 GGAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Oc3cccnc3)cc2)ccc1O ZINC000253473727 206283926 /nfs/dbraw/zinc/28/39/26/206283926.db2.gz XNXWCJQJYCNWBX-UHFFFAOYSA-N -1 0 386.385 3.079 50 0 GGAARM Cc1coc2c1cc1c(C)c(CC(=O)N3CCC(C(=O)[O-])CC3)c(=O)oc1c2C ZINC000002103698 206291480 /nfs/dbraw/zinc/29/14/80/206291480.db2.gz GIKNHCTYCDMMFX-UHFFFAOYSA-N -1 0 397.427 3.330 50 0 biogenic GGAARM Cn1c2ccccc2nc1-c1c(CCCC(=O)[O-])[nH]nc1-c1ccc(O)cc1O ZINC000011867618 206295481 /nfs/dbraw/zinc/29/54/81/206295481.db2.gz OTDBTGIWSFHQIG-UHFFFAOYSA-N -1 0 392.415 3.449 50 0 GGAARM CCOC(=O)c1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CCC4)cc1 ZINC000100613785 206303582 /nfs/dbraw/zinc/30/35/82/206303582.db2.gz XSJYEBXYSXPWTL-UHFFFAOYSA-N -1 0 392.411 3.082 50 0 biogenic GGAARM CCCOC(=O)c1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)cc1 ZINC000100621295 206303734 /nfs/dbraw/zinc/30/37/34/206303734.db2.gz LOFZUGRBLOZBJJ-UHFFFAOYSA-N -1 0 392.411 3.082 50 0 biogenic GGAARM CN1c2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc2OCC(C)(C)C1=O ZINC000009169805 206306662 /nfs/dbraw/zinc/30/66/62/206306662.db2.gz NDWBFUMAPQBEJK-UHFFFAOYSA-N -1 0 396.415 3.147 50 0 GGAARM CN1c2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2OCC(C)(C)C1=O ZINC000009165682 206307112 /nfs/dbraw/zinc/30/71/12/206307112.db2.gz PMMHUZHMLZHUKP-UHFFFAOYSA-N -1 0 396.415 3.147 50 0 GGAARM CC1(C)COc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2NC1=O ZINC000009173211 206307186 /nfs/dbraw/zinc/30/71/86/206307186.db2.gz ZESVLOBNFPPFMX-UHFFFAOYSA-N -1 0 382.388 3.123 50 0 GGAARM CCOC(=O)c1c([N-]S(=O)(=O)c2cccc(OC)c2)sc2c1CCC2 ZINC000000630331 206309701 /nfs/dbraw/zinc/30/97/01/206309701.db2.gz GVHYICNIQUJBAX-UHFFFAOYSA-N -1 0 381.475 3.223 50 0 GGAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000000640027 206311046 /nfs/dbraw/zinc/31/10/46/206311046.db2.gz TXUVTFPGNZPKOR-CYBMUJFWSA-N -1 0 392.477 3.033 50 0 GGAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(C)C)cc1 ZINC000000640126 206311163 /nfs/dbraw/zinc/31/11/63/206311163.db2.gz KFCNFOZYBNRZKD-UHFFFAOYSA-N -1 0 376.478 3.272 50 0 GGAARM COc1cc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)c(OC)cc1Cl ZINC000000644519 206311854 /nfs/dbraw/zinc/31/18/54/206311854.db2.gz HQSRKWNSHIOFLI-UHFFFAOYSA-N -1 0 387.841 3.175 50 0 GGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3OC)C2)cc1 ZINC000000710149 206317703 /nfs/dbraw/zinc/31/77/03/206317703.db2.gz LFQAKZBIGUUGEL-SFHVURJKSA-N -1 0 382.416 3.246 50 0 GGAARM COc1ccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)[O-])CCC4)cc1 ZINC000000755309 206320968 /nfs/dbraw/zinc/32/09/68/206320968.db2.gz WOINBLVENCHYNM-UHFFFAOYSA-N -1 0 388.470 3.121 50 0 GGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)nc(C)n1 ZINC000000790556 206321788 /nfs/dbraw/zinc/32/17/88/206321788.db2.gz BSLSCGFADKWGNT-UHFFFAOYSA-N -1 0 396.472 3.455 50 0 GGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cccs3)C2)cc1OC ZINC000000801917 206322510 /nfs/dbraw/zinc/32/25/10/206322510.db2.gz STOHYNOKIIKKCY-AWEZNQCLSA-N -1 0 388.445 3.308 50 0 GGAARM Cc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000000806098 206322592 /nfs/dbraw/zinc/32/25/92/206322592.db2.gz BJAMFBGJLOIWMW-UHFFFAOYSA-N -1 0 388.470 3.024 50 0 GGAARM CCOc1ccc2nc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)sc2c1 ZINC000000811147 206323220 /nfs/dbraw/zinc/32/32/20/206323220.db2.gz INLYUQWKXNNRLV-UHFFFAOYSA-N -1 0 391.474 3.454 50 0 GGAARM O=C(Nc1ccccc1O)c1cccc(S(=O)(=O)[N-]c2ccccc2O)c1 ZINC000000823220 206325574 /nfs/dbraw/zinc/32/55/74/206325574.db2.gz SHHJROXSDMQCBC-UHFFFAOYSA-N -1 0 384.413 3.151 50 0 GGAARM O=C([O-])c1ccccc1N1C(=O)c2ccc(C(=O)Oc3ccccc3)cc2C1=O ZINC000000825449 206325863 /nfs/dbraw/zinc/32/58/63/206325863.db2.gz DVEPBOGHPGQSAP-UHFFFAOYSA-N -1 0 387.347 3.405 50 0 GGAARM CCS(=O)(=O)c1ccc([O-])c(N2C(=O)c3cccc4cccc(c43)C2=O)c1 ZINC000000844680 206326726 /nfs/dbraw/zinc/32/67/26/206326726.db2.gz UTQRMSMAJODFEF-UHFFFAOYSA-N -1 0 381.409 3.140 50 0 GGAARM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000000852090 206328304 /nfs/dbraw/zinc/32/83/04/206328304.db2.gz ILHONKBFQYJJNG-KPKJPENVSA-N -1 0 394.456 3.238 50 0 GGAARM CCCC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000000860686 206329514 /nfs/dbraw/zinc/32/95/14/206329514.db2.gz BJUGWXCWGDTJSD-UHFFFAOYSA-N -1 0 380.853 3.197 50 0 GGAARM Cc1ncc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c(C)n1 ZINC000000874245 206329999 /nfs/dbraw/zinc/32/99/99/206329999.db2.gz IMEVUOYIASRHNB-UHFFFAOYSA-N -1 0 396.472 3.075 50 0 GGAARM COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000874241 206331101 /nfs/dbraw/zinc/33/11/01/206331101.db2.gz GPTSKOXPLVHMPA-UHFFFAOYSA-N -1 0 389.458 3.205 50 0 GGAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1 ZINC000000898175 206332175 /nfs/dbraw/zinc/33/21/75/206332175.db2.gz XQICNJQENWFZCU-UHFFFAOYSA-N -1 0 387.244 3.071 50 0 GGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)nc(C)n1 ZINC000000913112 206332932 /nfs/dbraw/zinc/33/29/32/206332932.db2.gz QKARCEWTILLPGA-UHFFFAOYSA-N -1 0 388.474 3.208 50 0 GGAARM O=C([O-])c1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2Cl)C1=O ZINC000000946323 206337165 /nfs/dbraw/zinc/33/71/65/206337165.db2.gz MXNOOBPKFWFYNL-UHFFFAOYSA-N -1 0 377.183 3.474 50 0 GGAARM CC(=O)[N-]S(=O)(=O)c1cnccc1Sc1ccc(Cl)c(Cl)c1 ZINC000000987885 206339663 /nfs/dbraw/zinc/33/96/63/206339663.db2.gz ZQAAGPVCVWTBHJ-UHFFFAOYSA-N -1 0 377.274 3.364 50 0 GGAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000001019558 206342612 /nfs/dbraw/zinc/34/26/12/206342612.db2.gz KWJZSNHRUQYPRV-ZWKOTPCHSA-N -1 0 392.455 3.265 50 0 GGAARM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cs1 ZINC000001056093 206346705 /nfs/dbraw/zinc/34/67/05/206346705.db2.gz QWASBZMZELXISY-UHFFFAOYSA-N -1 0 388.474 3.208 50 0 GGAARM CCCc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000001054367 206346756 /nfs/dbraw/zinc/34/67/56/206346756.db2.gz SENUNUCIGZSOIX-UHFFFAOYSA-N -1 0 396.472 3.482 50 0 GGAARM Cc1cccc(NC(=O)c2cc(NC(=O)CCCC(=O)[O-])ccc2Cl)n1 ZINC000001067925 206347977 /nfs/dbraw/zinc/34/79/77/206347977.db2.gz GZHUPUGMJOGMEP-UHFFFAOYSA-N -1 0 375.812 3.489 50 0 GGAARM O=C([O-])c1cccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)c1 ZINC000001066912 206348556 /nfs/dbraw/zinc/34/85/56/206348556.db2.gz RHQIQXASDGQMMP-UHFFFAOYSA-N -1 0 386.363 3.438 50 0 GGAARM O=S(=O)([N-]c1ccc(Br)cn1)c1ccc(Br)s1 ZINC000001076290 206349964 /nfs/dbraw/zinc/34/99/64/206349964.db2.gz BRTTXVJTVKXJGU-UHFFFAOYSA-N -1 0 398.101 3.469 50 0 GGAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)N3CCC(C)CC3)cs2)cc1 ZINC000009828553 206371600 /nfs/dbraw/zinc/37/16/00/206371600.db2.gz QCSMCQARIKULNX-UHFFFAOYSA-N -1 0 393.534 3.053 50 0 GGAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1)NC1CCCC1 ZINC000009828503 206371655 /nfs/dbraw/zinc/37/16/55/206371655.db2.gz LYZBVVQOVZONHC-UHFFFAOYSA-N -1 0 399.925 3.199 50 0 GGAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2C ZINC000009828263 206372033 /nfs/dbraw/zinc/37/20/33/206372033.db2.gz PDXCOEXEBWOSNF-UHFFFAOYSA-N -1 0 380.853 3.058 50 0 GGAARM Cc1cccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccccc3)n2)c1 ZINC000009828703 206372736 /nfs/dbraw/zinc/37/27/36/206372736.db2.gz IFFZOJZIINESAW-UHFFFAOYSA-N -1 0 387.486 3.434 50 0 GGAARM Cc1ccc(-n2ncc3c2ncn([N-]C(=O)c2c(F)cccc2Cl)c3=O)cc1 ZINC000010251485 206375870 /nfs/dbraw/zinc/37/58/70/206375870.db2.gz YKECDWOUOFFSJU-UHFFFAOYSA-N -1 0 397.797 3.067 50 0 GGAARM O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)Nc1ccccc1 ZINC000009761954 206376902 /nfs/dbraw/zinc/37/69/02/206376902.db2.gz UOFADUWHLZOPGQ-UHFFFAOYSA-N -1 0 381.866 3.182 50 0 GGAARM O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)Nc1cccc(F)c1 ZINC000009761967 206377094 /nfs/dbraw/zinc/37/70/94/206377094.db2.gz HVHGHGOLZJGEBP-UHFFFAOYSA-N -1 0 399.856 3.321 50 0 GGAARM Cc1noc([N-]S(=O)(=O)c2ccc(N[C@@H]3OC(=O)c4ccccc43)cc2)c1C ZINC000001414961 206379514 /nfs/dbraw/zinc/37/95/14/206379514.db2.gz PNHPHVGLHJXOBL-GOSISDBHSA-N -1 0 399.428 3.373 50 0 GGAARM Cc1ccc(S(=O)(=O)C=C([O-])c2cc(C)c(OC(=O)N(C)C)c(C)c2)cc1 ZINC000001400792 206379758 /nfs/dbraw/zinc/37/97/58/206379758.db2.gz FBSOHVUXUFDJDZ-UHFFFAOYSA-N -1 0 389.473 3.329 50 0 GGAARM O=C([O-])Cn1nnc(-c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)n1 ZINC000001421007 206380135 /nfs/dbraw/zinc/38/01/35/206380135.db2.gz ZIQBAWPKBMTWQA-UHFFFAOYSA-N -1 0 378.310 3.023 50 0 GGAARM O=C1c2ccccc2N[C@@H](c2cccs2)N1[N-]S(=O)(=O)c1ccccc1 ZINC000001441643 206381623 /nfs/dbraw/zinc/38/16/23/206381623.db2.gz PVYZHEUTIULHJH-QGZVFWFLSA-N -1 0 385.470 3.208 50 0 GGAARM COC(=O)c1nc[n-]c1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000001471186 206383302 /nfs/dbraw/zinc/38/33/02/206383302.db2.gz IXEQBDAGNPTTGC-UHFFFAOYSA-N -1 0 383.791 3.333 50 0 GGAARM O=S(=O)([N-]c1ccc(Cl)cn1)c1ccc(I)cc1 ZINC000001158323 206360584 /nfs/dbraw/zinc/36/05/84/206360584.db2.gz FYKLHVUUYOZCKR-UHFFFAOYSA-N -1 0 394.621 3.140 50 0 GGAARM O=C([O-])c1ccc(C(=O)CNc2ccc(I)cc2)cc1 ZINC000001178242 206363773 /nfs/dbraw/zinc/36/37/73/206363773.db2.gz ONQWNOPTQASXCF-UHFFFAOYSA-N -1 0 381.169 3.284 50 0 GGAARM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2ncn([C@@H](C)C(=O)[O-])c(=O)c12 ZINC000001784727 206392245 /nfs/dbraw/zinc/39/22/45/206392245.db2.gz LARKVLYOXYMNBT-LBPRGKRZSA-N -1 0 385.445 3.281 50 0 GGAARM CCCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-] ZINC000002098077 206398099 /nfs/dbraw/zinc/39/80/99/206398099.db2.gz UIAFHEIBYFAFLF-GOEBONIOSA-N -1 0 389.448 3.245 50 0 biogenic GGAARM Cc1coc2c1cc1c(C)c(CC(=O)N3CCC[C@@H]3C(=O)[O-])c(=O)oc1c2C ZINC000002098764 206398383 /nfs/dbraw/zinc/39/83/83/206398383.db2.gz JLNWOVCZWIYBFU-MRXNPFEDSA-N -1 0 383.400 3.083 50 0 GGAARM CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](CCC)C(=O)[O-])ccc12 ZINC000002098355 206398559 /nfs/dbraw/zinc/39/85/59/206398559.db2.gz FCDWTWTWEDBVBX-BBRMVZONSA-N -1 0 389.448 3.191 50 0 biogenic GGAARM CCCCCCc1c(C)c2ccc(O[C@H](C)C(=O)NCC(=O)[O-])cc2oc1=O ZINC000002100547 206398663 /nfs/dbraw/zinc/39/86/63/206398663.db2.gz OPTNZIZLTOXTTL-CQSZACIVSA-N -1 0 389.448 3.192 50 0 biogenic GGAARM CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc12 ZINC000002095911 206398993 /nfs/dbraw/zinc/39/89/93/206398993.db2.gz VREHEELJZXHYGF-CJNGLKHVSA-N -1 0 389.448 3.047 50 0 biogenic GGAARM CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc12 ZINC000002108336 206399400 /nfs/dbraw/zinc/39/94/00/206399400.db2.gz KZSXEVWCVFPLEU-GUYCJALGSA-N -1 0 389.448 3.128 50 0 biogenic GGAARM O=C([O-])CCCNC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 ZINC000002948603 206448129 /nfs/dbraw/zinc/44/81/29/206448129.db2.gz YPRFYJAWJORHQX-GHRIWEEISA-N -1 0 386.835 3.092 50 0 GGAARM CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(OC)cc(OC)c2)cc1 ZINC000003623754 206491344 /nfs/dbraw/zinc/49/13/44/206491344.db2.gz UWPYYFYCNNPJNK-LJQANCHMSA-N -1 0 387.432 3.438 50 0 GGAARM O=C([O-])C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000004205020 206509394 /nfs/dbraw/zinc/50/93/94/206509394.db2.gz KIUCSPQNUZFWLB-UHFFFAOYSA-N -1 0 385.894 3.209 50 0 GGAARM CCOC(=O)[C@@H](CC(C)C)C[P@@](=O)([O-])CNC(=O)OCc1ccccc1 ZINC000004327091 206514175 /nfs/dbraw/zinc/51/41/75/206514175.db2.gz HJGUVULCFZQIOX-INIZCTEOSA-N -1 0 385.397 3.366 50 0 GGAARM O=c1c2[n-][nH]n(Cc3c(F)cccc3Cl)c=2c(=O)n1-c1ccc(F)cc1 ZINC000004483687 206522278 /nfs/dbraw/zinc/52/22/78/206522278.db2.gz QBMGMCJQUISYET-GJZGRUSLSA-N -1 0 376.750 3.112 50 0 GGAARM CCc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(Cl)c4)c(=O)c2=3)cc1 ZINC000004483909 206522297 /nfs/dbraw/zinc/52/22/97/206522297.db2.gz HOXPTBQYHKVMQU-MSOLQXFVSA-N -1 0 398.850 3.404 50 0 GGAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccccc2Br)cc1 ZINC000004580562 206531048 /nfs/dbraw/zinc/53/10/48/206531048.db2.gz HTZYJYDKNMXLSZ-HNNXBMFYSA-N -1 0 378.222 3.404 50 0 GGAARM COC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)cc21 ZINC000004660897 206538292 /nfs/dbraw/zinc/53/82/92/206538292.db2.gz DMMIYAIWKQRGCG-UHFFFAOYSA-N -1 0 389.385 3.027 50 0 GGAARM C[C@@H](Sc1nnc2n(CCOc3ccccc3)c3ccccc3n12)C(=O)[O-] ZINC000004661548 206539180 /nfs/dbraw/zinc/53/91/80/206539180.db2.gz SFYQDCHXRHFNHE-CYBMUJFWSA-N -1 0 382.445 3.328 50 0 GGAARM Nc1c2cc(C(=O)[O-])c(=O)[nH]c2sc1C(=O)Nc1ccc(Cl)cc1Cl ZINC000004789480 206555016 /nfs/dbraw/zinc/55/50/16/206555016.db2.gz QBDMRBMKRJROJU-UHFFFAOYSA-N -1 0 398.227 3.429 50 0 GGAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)C)cc1Cl ZINC000004809496 206556087 /nfs/dbraw/zinc/55/60/87/206556087.db2.gz ROFWLXOQLUYASY-UHFFFAOYSA-N -1 0 382.869 3.288 50 0 GGAARM COc1ccc(C)cc1S(=O)(=O)N(CC(=O)[O-])c1ccc(C)c(Cl)c1 ZINC000004841058 206561659 /nfs/dbraw/zinc/56/16/59/206561659.db2.gz WQFRMNNQLPNNAG-UHFFFAOYSA-N -1 0 383.853 3.245 50 0 GGAARM Cc1ccc(N2C(=O)C[C@@H](Sc3ncccc3C(=O)[O-])C2=O)cc1Cl ZINC000005016030 206583482 /nfs/dbraw/zinc/58/34/82/206583482.db2.gz WZCGPOMRECMBOE-CYBMUJFWSA-N -1 0 376.821 3.166 50 0 GGAARM O=C([O-])CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1 ZINC000005522326 206617115 /nfs/dbraw/zinc/61/71/15/206617115.db2.gz YZYQXBURXYOQLZ-UHFFFAOYSA-N -1 0 379.825 3.329 50 0 GGAARM CCc1c(C)nc(SCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)[nH]c1=O ZINC000006658553 206660274 /nfs/dbraw/zinc/66/02/74/206660274.db2.gz OKMMENLUTAJLAI-UHFFFAOYSA-N -1 0 381.841 3.135 50 0 GGAARM CCCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)c12 ZINC000011866791 206839025 /nfs/dbraw/zinc/83/90/25/206839025.db2.gz DKKMDJAUHUGURW-XCLFUZPHSA-N -1 0 389.448 3.048 50 0 GGAARM Cc1nn(C)cc1-c1cc(C(=O)[O-])n2nc3nc(C(F)(F)F)cc(C)c3c2n1 ZINC000013645722 206986214 /nfs/dbraw/zinc/98/62/14/206986214.db2.gz OUHKWSOIIKKQQW-UHFFFAOYSA-N -1 0 390.325 3.012 50 0 GGAARM CCOc1ccccc1-n1c(=O)cc([O-])nc1SCC(=O)c1ccccc1 ZINC000013957310 207006785 /nfs/dbraw/zinc/00/67/85/207006785.db2.gz UQWIZWOGGNYVKU-UHFFFAOYSA-N -1 0 382.441 3.312 50 0 GGAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Br)c2)C[C@H]1C(=O)[O-] ZINC000014632471 207024736 /nfs/dbraw/zinc/02/47/36/207024736.db2.gz YBRFSKPOKNRSHI-STQMWFEESA-N -1 0 386.242 3.291 50 0 GGAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Br)cc2)C[C@H]1C(=O)[O-] ZINC000014632486 207025546 /nfs/dbraw/zinc/02/55/46/207025546.db2.gz YKOUHSOOTWRBHO-STQMWFEESA-N -1 0 386.242 3.291 50 0 GGAARM CCOc1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)ccc1OCC(=O)[O-] ZINC000015010484 207039829 /nfs/dbraw/zinc/03/98/29/207039829.db2.gz PAFHIGWMOIODCO-NVNXTCNLSA-N -1 0 379.434 3.241 50 0 GGAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCOCC1 ZINC000015446434 207051220 /nfs/dbraw/zinc/05/12/20/207051220.db2.gz WNRMJMFKNFPDFJ-HXUWFJFHSA-N -1 0 381.428 3.405 50 0 GGAARM COc1ccc(-c2noc(CCCC(=O)Nc3cccc(C(=O)[O-])c3)n2)cc1 ZINC000015669616 207053229 /nfs/dbraw/zinc/05/32/29/207053229.db2.gz VBJXKSVLMGNKGY-UHFFFAOYSA-N -1 0 381.388 3.405 50 0 GGAARM COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)[O-] ZINC000016196168 207074376 /nfs/dbraw/zinc/07/43/76/207074376.db2.gz OWTHTMOGLSWSIH-YBEGLDIGSA-N -1 0 385.397 3.400 50 0 GGAARM Cc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000016740779 207076802 /nfs/dbraw/zinc/07/68/02/207076802.db2.gz MVTIPZQPMUPAFS-GOSISDBHSA-N -1 0 389.415 3.212 50 0 GGAARM Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(F)cc3)[n-]c2=O)cc1 ZINC000016777316 207078812 /nfs/dbraw/zinc/07/88/12/207078812.db2.gz URGVLERLOBQEOH-UHFFFAOYSA-N -1 0 384.436 3.346 50 0 GGAARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=C1C[C@@H](c2ccccc2)NN1 ZINC000016996352 207081001 /nfs/dbraw/zinc/08/10/01/207081001.db2.gz CFMOQUORDGESLR-DQHOPXMZSA-N -1 0 382.807 3.256 50 0 GGAARM C[C@@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000017077419 207081866 /nfs/dbraw/zinc/08/18/66/207081866.db2.gz GIUPDQKKKZCIJC-LLVKDONJSA-N -1 0 378.494 3.349 50 0 GGAARM O=c1c2c([n-]c(=S)n1CCCN1CCOCC1)sc1c2CCCCC1 ZINC000017077642 207082062 /nfs/dbraw/zinc/08/20/62/207082062.db2.gz FHOAIKNEJYUPDO-UHFFFAOYSA-N -1 0 379.551 3.112 50 0 GGAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CC1)CC[C@@H](C)C2 ZINC000017077426 207082554 /nfs/dbraw/zinc/08/25/54/207082554.db2.gz QBRSFWUEENTNLE-GHMZBOCLSA-N -1 0 378.494 3.205 50 0 GGAARM C[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NC2CCCC2)C1 ZINC000017077420 207082788 /nfs/dbraw/zinc/08/27/88/207082788.db2.gz GIUPDQKKKZCIJC-NSHDSACASA-N -1 0 378.494 3.349 50 0 GGAARM CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1C(=O)NC1CC1 ZINC000017077002 207082805 /nfs/dbraw/zinc/08/28/05/207082805.db2.gz ZNMVIRKAYPUYJA-UONOGXRCSA-N -1 0 376.478 3.117 50 0 GGAARM CC[C@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017077422 207082901 /nfs/dbraw/zinc/08/29/01/207082901.db2.gz IYAAKCDVVPPIKX-NSHDSACASA-N -1 0 378.494 3.349 50 0 GGAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1sccc1C(=O)NCc1ccco1 ZINC000017076960 207082941 /nfs/dbraw/zinc/08/29/41/207082941.db2.gz NLFDSFQULPVLGO-CHWSQXEVSA-N -1 0 376.434 3.101 50 0 GGAARM CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1C(=O)NC1CC1 ZINC000017077000 207083004 /nfs/dbraw/zinc/08/30/04/207083004.db2.gz ZNMVIRKAYPUYJA-KBPBESRZSA-N -1 0 376.478 3.117 50 0 GGAARM C[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NCc2ccco2)C1 ZINC000017079642 207083389 /nfs/dbraw/zinc/08/33/89/207083389.db2.gz IJQGNZWMLPSCHB-NSHDSACASA-N -1 0 390.461 3.199 50 0 GGAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCCC2 ZINC000017079334 207083840 /nfs/dbraw/zinc/08/38/40/207083840.db2.gz QHWZZLAAZQPQBO-CHWSQXEVSA-N -1 0 388.489 3.125 50 0 GGAARM Cc1cc2c([nH]c(=S)n([N-]C(=O)c3ccc(Br)o3)c2=O)s1 ZINC000017078780 207083921 /nfs/dbraw/zinc/08/39/21/207083921.db2.gz IGDINXHAASMGOU-UHFFFAOYSA-N -1 0 386.252 3.168 50 0 GGAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1sccc1C(=O)NC1CCCC1 ZINC000017079667 207084023 /nfs/dbraw/zinc/08/40/23/207084023.db2.gz UPASAQBCVPZHFN-UQZDFYISSA-N -1 0 390.505 3.496 50 0 GGAARM Cc1ccc(-n2[n-]c(CSc3nnnn3-c3ccccc3)cc2=O)cc1C ZINC000017879187 207091152 /nfs/dbraw/zinc/09/11/52/207091152.db2.gz KDWIBEZHGAQQTR-UHFFFAOYSA-N -1 0 378.461 3.050 50 0 GGAARM COC(=O)c1[nH]c2ccc(F)cc2c1[N-]S(=O)(=O)c1cc(C)ccc1OC ZINC000018038424 207092092 /nfs/dbraw/zinc/09/20/92/207092092.db2.gz JNCRUFLOZDEWCZ-UHFFFAOYSA-N -1 0 392.408 3.211 50 0 GGAARM Cc1ccc(C)c(OCc2ccc(C(=O)[N-]N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)o2)c1 ZINC000018173576 207093429 /nfs/dbraw/zinc/09/34/29/207093429.db2.gz WLLLREPZDYEALI-CALCHBBNSA-N -1 0 396.443 3.295 50 0 GGAARM O=S(=O)([N-]c1nc2ccccc2nc1NC[C@H]1CCCO1)c1ccccc1 ZINC000017251918 207087297 /nfs/dbraw/zinc/08/72/97/207087297.db2.gz YKFHSAMRNRHZNL-CQSZACIVSA-N -1 0 384.461 3.022 50 0 GGAARM CCOC(=O)CSc1n[n-]c2nc3c(c(=O)n21)[C@@](C)(CC)Cc1ccccc1-3 ZINC000017209600 207087747 /nfs/dbraw/zinc/08/77/47/207087747.db2.gz NSICNSLLRUBYNC-FQEVSTJZSA-N -1 0 398.488 3.376 50 0 GGAARM CCN1c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3OC)cc2CCC1=O ZINC000017289153 207088149 /nfs/dbraw/zinc/08/81/49/207088149.db2.gz VTIFNDJRKXEUKN-UHFFFAOYSA-N -1 0 388.489 3.412 50 0 GGAARM Cc1ccccc1-n1c(=O)[nH]c([O-])c(Cc2ccc(Cl)cc2Cl)c1=O ZINC000018222078 207097042 /nfs/dbraw/zinc/09/70/42/207097042.db2.gz LCBHNBKDGHRLNP-UHFFFAOYSA-N -1 0 377.227 3.437 50 0 GGAARM COc1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)cc1Cl ZINC000019881885 207168556 /nfs/dbraw/zinc/16/85/56/207168556.db2.gz YCMYLBLHNAQCLX-HNNXBMFYSA-N -1 0 391.832 3.471 50 0 GGAARM Cc1nc2sc([C@@H](c3ccc(C(C)C)cc3)N3CCN(C)CC3)c([O-])n2n1 ZINC000020216006 207183786 /nfs/dbraw/zinc/18/37/86/207183786.db2.gz FZTLDQWMKMBPQE-QGZVFWFLSA-N -1 0 385.537 3.265 50 0 GGAARM Cc1sc2[n-]c(=S)n(CCN3CCOCC3)c(=O)c2c1-c1ccccc1 ZINC000020295149 207186880 /nfs/dbraw/zinc/18/68/80/207186880.db2.gz XLDCULICMKZRTI-UHFFFAOYSA-N -1 0 387.530 3.428 50 0 GGAARM CSCC[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000020721373 207210981 /nfs/dbraw/zinc/21/09/81/207210981.db2.gz IQVZXNZCZUVQKS-ZDUSSCGKSA-N -1 0 384.910 3.329 50 0 GGAARM O=C([O-])CCCNC(=O)Cc1csc(-c2cccc(Br)c2)n1 ZINC000020735275 207211683 /nfs/dbraw/zinc/21/16/83/207211683.db2.gz KAZASFSOSLZUAU-UHFFFAOYSA-N -1 0 383.267 3.096 50 0 GGAARM Cc1ccc(/C=C(/NC(=O)c2ccccc2I)C(=O)[O-])o1 ZINC000022135359 207248239 /nfs/dbraw/zinc/24/82/39/207248239.db2.gz KRMPLBZEBHBAKQ-MDWZMJQESA-N -1 0 397.168 3.048 50 0 GGAARM Cc1ccc([C@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCOCC2)cc1 ZINC000022852389 207263299 /nfs/dbraw/zinc/26/32/99/207263299.db2.gz PLDYQNPFGQDBQQ-MRXNPFEDSA-N -1 0 396.472 3.486 50 0 GGAARM [O-]c1c([C@@H](c2ccccc2)N2CCOCC2)sc2nc(-c3ccco3)nn12 ZINC000022851784 207262466 /nfs/dbraw/zinc/26/24/66/207262466.db2.gz AQLFJHMIFTTZKE-OAHLLOKOSA-N -1 0 382.445 3.178 50 0 GGAARM Cc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1 ZINC000027664415 207329361 /nfs/dbraw/zinc/32/93/61/207329361.db2.gz DRDQTRIMAZCCRT-HEHGZKQESA-N -1 0 384.379 3.160 50 0 GGAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)Nc3ccc4cc[nH]c4c3)cc2s1 ZINC000031810647 207386619 /nfs/dbraw/zinc/38/66/19/207386619.db2.gz KEFRSTGQABMGND-UHFFFAOYSA-N -1 0 386.458 3.401 50 0 GGAARM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(Cc4cccs4)CC3)c2c1 ZINC000032093474 207390040 /nfs/dbraw/zinc/39/00/40/207390040.db2.gz JWBAVRLQKVVKDK-LJQANCHMSA-N -1 0 385.489 3.182 50 0 GGAARM COc1ccccc1NC(=O)N(C)CCc1noc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000034927263 207482545 /nfs/dbraw/zinc/48/25/45/207482545.db2.gz HLHCEIFHTZNKMQ-UHFFFAOYSA-N -1 0 396.403 3.150 50 0 GGAARM CSCC[C@@H](NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000036293914 207519494 /nfs/dbraw/zinc/51/94/94/207519494.db2.gz GNMGSZDDDTYUJL-MRXNPFEDSA-N -1 0 399.921 3.492 50 0 GGAARM COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1c(O)cc(C)[nH]c1=O ZINC000079189380 207578103 /nfs/dbraw/zinc/57/81/03/207578103.db2.gz LUULUSZGAPNFFC-AWEZNQCLSA-N -1 0 397.383 3.042 50 0 biogenic GGAARM CC(=O)c1cn(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c2ccccc12 ZINC000040309971 207594512 /nfs/dbraw/zinc/59/45/12/207594512.db2.gz ZNUSRNITTUOLSF-IBGZPJMESA-N -1 0 378.428 3.046 50 0 biogenic GGAARM CC(=O)Nc1ccc(NC(=O)C[C@H]2Sc3cc(C(=O)[O-])ccc3NC2=O)cc1 ZINC000061718342 207789027 /nfs/dbraw/zinc/78/90/27/207789027.db2.gz OXLLRWWGYGITQZ-MRXNPFEDSA-N -1 0 399.428 3.434 50 0 GGAARM Cc1noc(C)c1Cc1nnc(SCC(=O)[O-])n1-c1ccccc1Cl ZINC000067833459 207910342 /nfs/dbraw/zinc/91/03/42/207910342.db2.gz ZTQOVXBHDPFWGD-UHFFFAOYSA-N -1 0 378.841 3.293 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)c2cc3cc(F)ccc3n2C)sc1C(C)C ZINC000072403451 208013946 /nfs/dbraw/zinc/01/39/46/208013946.db2.gz AEGMTNLSAQJJLX-UHFFFAOYSA-N -1 0 375.425 3.358 50 0 GGAARM O=C([O-])c1ccc(C[C@H]2CCN(C(=O)c3cc(-c4ccc(O)cc4)n[nH]3)C2)cc1 ZINC000072407849 208015672 /nfs/dbraw/zinc/01/56/72/208015672.db2.gz CMWZEJYNIJPIAU-OAHLLOKOSA-N -1 0 391.427 3.185 50 0 GGAARM O=C([O-])[C@@]1(CC(=O)Nc2ccccc2Cl)CC(c2ccc(F)cc2)=NO1 ZINC000072404900 208015895 /nfs/dbraw/zinc/01/58/95/208015895.db2.gz GBZQVOKQJITTAK-SFHVURJKSA-N -1 0 376.771 3.456 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)c2cc(-c3ccccc3)nn2C)sc1CC(C)C ZINC000072404834 208016239 /nfs/dbraw/zinc/01/62/39/208016239.db2.gz CTWITVPMLMWLGW-UHFFFAOYSA-N -1 0 398.488 3.203 50 0 GGAARM Cc1ccc2nc(C)cc(C(=O)N3CCCn4nc(CCC(=O)[O-])cc4C3)c2c1 ZINC000072478301 208032133 /nfs/dbraw/zinc/03/21/33/208032133.db2.gz LJWOBKFQSBFJAB-UHFFFAOYSA-N -1 0 392.459 3.111 50 0 GGAARM CCOc1ccc(-c2ccnc(NC3CCN(C(=O)CC)CC3)n2)cc1C(=O)[O-] ZINC000077407447 208043297 /nfs/dbraw/zinc/04/32/97/208043297.db2.gz OXMFQUZOKSBJTO-UHFFFAOYSA-N -1 0 398.463 3.053 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)CCc2ccc3c(c2)CCO3)sc1CC(C)C ZINC000079484310 208074866 /nfs/dbraw/zinc/07/48/66/208074866.db2.gz CSYAAESZGVDGOD-UHFFFAOYSA-N -1 0 388.489 3.056 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)c2cnn(-c3ccccc3)c2C)sc1C(C)C ZINC000079476712 208074935 /nfs/dbraw/zinc/07/49/35/208074935.db2.gz MKPHPYBSUYGLOI-UHFFFAOYSA-N -1 0 384.461 3.221 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)Cc2ccc3c(c2)OCC3)sc1-c1ccccc1 ZINC000079476203 208075466 /nfs/dbraw/zinc/07/54/66/208075466.db2.gz JYNCXGRLPCODMK-UHFFFAOYSA-N -1 0 394.452 3.135 50 0 GGAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2c1[C@H](c1cnn(C)c1C)SCC(=O)N2 ZINC000079484831 208075838 /nfs/dbraw/zinc/07/58/38/208075838.db2.gz VBTSEFFJRZRXLA-KRWDZBQOSA-N -1 0 397.460 3.345 50 0 GGAARM CCOC(=O)c1csc(=NC(=O)CCn2ccc3ccc(Cl)cc32)[n-]1 ZINC000079501823 208076617 /nfs/dbraw/zinc/07/66/17/208076617.db2.gz MWILLCFXFPJXBY-UHFFFAOYSA-N -1 0 377.853 3.379 50 0 GGAARM CC(=O)c1cc(CN2CCC(Oc3ccc(F)cc3C)(C(=O)[O-])CC2)n(C)c1 ZINC000082108452 208079095 /nfs/dbraw/zinc/07/90/95/208079095.db2.gz CNPDZSKBHKJWDX-UHFFFAOYSA-N -1 0 388.439 3.173 50 0 GGAARM COc1ccccc1OC1(C(=O)[O-])CCN(Cc2nc3ccccc3[nH]2)CC1 ZINC000082160329 208082754 /nfs/dbraw/zinc/08/27/54/208082754.db2.gz ZXWOVXJDYFANHS-UHFFFAOYSA-N -1 0 381.432 3.070 50 0 GGAARM COc1ccccc1OC1(C(=O)[O-])CCN(Cc2csc(C(C)=O)c2)CC1 ZINC000082167133 208083939 /nfs/dbraw/zinc/08/39/39/208083939.db2.gz QCDHLOFILBHGJB-UHFFFAOYSA-N -1 0 389.473 3.458 50 0 GGAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc3sc(C)nc3c2)C1 ZINC000091616252 208124848 /nfs/dbraw/zinc/12/48/48/208124848.db2.gz LUOVMXFOSWAJIT-LJQANCHMSA-N -1 0 376.478 3.338 50 0 GGAARM COc1cccc([C@@H]2CN(C(=O)c3cnc4ccccc4c3)C[C@H]2C(=O)[O-])c1 ZINC000091616371 208126486 /nfs/dbraw/zinc/12/64/86/208126486.db2.gz NECCVLKRTJLEIX-RBUKOAKNSA-N -1 0 376.412 3.184 50 0 GGAARM Cc1cc2occ(CC(=O)N3CCCn4nc(CCC(=O)[O-])cc4C3)c2c(C)c1 ZINC000091657215 208133614 /nfs/dbraw/zinc/13/36/14/208133614.db2.gz NXHGVEWNOFFNMH-UHFFFAOYSA-N -1 0 395.459 3.238 50 0 GGAARM COc1ccccc1[C@@H]1CN(C(=O)c2ccc(Cl)c(F)c2)C[C@H]1C(=O)[O-] ZINC000091725132 208136228 /nfs/dbraw/zinc/13/62/28/208136228.db2.gz ALNAEDKBBIKENE-UONOGXRCSA-N -1 0 377.799 3.428 50 0 GGAARM CC(C)(O)CCc1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](C(=O)[O-])C2)cc1 ZINC000091807516 208137732 /nfs/dbraw/zinc/13/77/32/208137732.db2.gz CRXWHEOPBNIOTO-VQTJNVASSA-N -1 0 399.462 3.470 50 0 GGAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)c3cnc(CN4CCCC4)s3)C2)cc1 ZINC000095360496 208162016 /nfs/dbraw/zinc/16/20/16/208162016.db2.gz IOYSQFYOHGHFHR-KRWDZBQOSA-N -1 0 399.516 3.457 50 0 GGAARM Cc1cc(C)n2ncc(C(=O)N3CCC[C@H](c4ccc(C(=O)[O-])cc4)C3)c2n1 ZINC000095363554 208163126 /nfs/dbraw/zinc/16/31/26/208163126.db2.gz PAGDXTKYIFLJOE-KRWDZBQOSA-N -1 0 378.432 3.064 50 0 GGAARM COc1ccc(CC(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)c(OC)c1 ZINC000095363471 208163818 /nfs/dbraw/zinc/16/38/18/208163818.db2.gz MRNODSOMARXEHF-SFHVURJKSA-N -1 0 383.444 3.351 50 0 GGAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(-n3cccn3)c2)cc1 ZINC000095368812 208166568 /nfs/dbraw/zinc/16/65/68/208166568.db2.gz MGLJKYYYFYRRBZ-LJQANCHMSA-N -1 0 379.416 3.217 50 0 GGAARM CC(=O)c1c(C)nn(CCC(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)c1C ZINC000095368227 208167599 /nfs/dbraw/zinc/16/75/99/208167599.db2.gz MYSGWWXFYWUXQX-LJQANCHMSA-N -1 0 397.475 3.197 50 0 GGAARM Cc1nc(-c2ccccc2)[nH]c1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000092036703 208146392 /nfs/dbraw/zinc/14/63/92/208146392.db2.gz RYQUTJVHOZGTSJ-ZWKOTPCHSA-N -1 0 375.428 3.326 50 0 GGAARM Cn1nc(C(F)(F)F)cc1C(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095392383 208177802 /nfs/dbraw/zinc/17/78/02/208177802.db2.gz HYYUDHPUOZUZQB-ZDUSSCGKSA-N -1 0 381.354 3.157 50 0 GGAARM COc1ccc(CC(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)cc1OC ZINC000095391980 208178218 /nfs/dbraw/zinc/17/82/18/208178218.db2.gz FWHITEAVNXLZIC-GOSISDBHSA-N -1 0 383.444 3.351 50 0 GGAARM COc1ccc(Cl)cc1[C@@H](C(=O)[O-])N1CCN(Cc2ccsc2)CC1 ZINC000095392242 208179921 /nfs/dbraw/zinc/17/99/21/208179921.db2.gz XHXYGBFPZYMUAG-KRWDZBQOSA-N -1 0 380.897 3.354 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)CCc2ccc(OC)c(OC)c2)sc1C(C)C ZINC000095474021 208192420 /nfs/dbraw/zinc/19/24/20/208192420.db2.gz FQWOOSULRMMHQQ-UHFFFAOYSA-N -1 0 392.477 3.064 50 0 GGAARM Cc1c([C@@H]2SCC(=O)Nc3c2cnn3-c2ccc(C(=O)[O-])cc2)cnn1C ZINC000095475292 208193447 /nfs/dbraw/zinc/19/34/47/208193447.db2.gz ZEOCJETYEOOGJH-INIZCTEOSA-N -1 0 383.433 3.037 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)c2ccc3nc(C)c(C)nc3c2)sc1C(C)C ZINC000095479909 208195715 /nfs/dbraw/zinc/19/57/15/208195715.db2.gz OBBPHLQAPSHBOA-UHFFFAOYSA-N -1 0 384.461 3.287 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)c2cccc(Nc3ncccn3)c2)sc1C(C)C ZINC000095479961 208195737 /nfs/dbraw/zinc/19/57/37/208195737.db2.gz KDPPRQCWAYNOKP-UHFFFAOYSA-N -1 0 397.460 3.261 50 0 GGAARM O=C([O-])CCCC(=O)Nc1cc(Cl)ccc1-c1nc2ccccc2[nH]c1=O ZINC000095945900 208242747 /nfs/dbraw/zinc/24/27/47/208242747.db2.gz ZBCGKLVVSOMIGI-UHFFFAOYSA-N -1 0 385.807 3.437 50 0 GGAARM COc1cc(OC)c([N-]S(=O)(=O)CCOc2ccccc2F)cc1Cl ZINC000096191830 208283995 /nfs/dbraw/zinc/28/39/95/208283995.db2.gz SKVBYDYQGSWDEA-UHFFFAOYSA-N -1 0 389.832 3.317 50 0 GGAARM COc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2F)cc1OC ZINC000096171208 208284983 /nfs/dbraw/zinc/28/49/83/208284983.db2.gz PBUYGULSGRNWCX-UHFFFAOYSA-N -1 0 390.230 3.406 50 0 GGAARM COc1cc([N-]S(=O)(=O)c2ccc(Br)cc2F)cc(OC)c1 ZINC000098073072 208368684 /nfs/dbraw/zinc/36/86/84/208368684.db2.gz ISDUMJZTTOHVGT-UHFFFAOYSA-N -1 0 390.230 3.406 50 0 GGAARM O=c1c2[n-][nH]n(Cc3ccc(F)cc3Cl)c=2c(=O)n1-c1ccc(F)cc1 ZINC000101167813 208386774 /nfs/dbraw/zinc/38/67/74/208386774.db2.gz FPQQRMPCYHTFSG-LSDHHAIUSA-N -1 0 376.750 3.112 50 0 GGAARM O=c1c2[n-][nH]n(Cc3c(F)cccc3Cl)c=2c(=O)n1-c1ccc(F)cc1 ZINC000101167830 208388324 /nfs/dbraw/zinc/38/83/24/208388324.db2.gz QBMGMCJQUISYET-LSDHHAIUSA-N -1 0 376.750 3.112 50 0 GGAARM Cc1ccc(-n2[n-]c(CSc3nnnn3-c3ccccc3)cc2=O)cc1C ZINC000100072167 208372714 /nfs/dbraw/zinc/37/27/14/208372714.db2.gz XPEDJMLPXBCLBV-UHFFFAOYSA-N -1 0 378.461 3.463 50 0 GGAARM CCOC(=O)c1c([O-])c2cnc(-c3ccccc3)nc2n(-c2ccccc2)c1=O ZINC000100227204 208375095 /nfs/dbraw/zinc/37/50/95/208375095.db2.gz AWVZOUBPHJFHCQ-UHFFFAOYSA-N -1 0 387.395 3.330 50 0 GGAARM CCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(=O)OC)cc2)c1=O ZINC000100543110 208375916 /nfs/dbraw/zinc/37/59/16/208375916.db2.gz PAXLTEUGJSIXMT-UHFFFAOYSA-N -1 0 380.400 3.156 50 0 GGAARM CC[C@H](Sc1nnc([N-]C(=O)c2cc(-c3ccco3)on2)s1)C(=O)OC ZINC000043939683 208442257 /nfs/dbraw/zinc/44/22/57/208442257.db2.gz DZWZGXCIGSTRLE-NSHDSACASA-N -1 0 394.434 3.082 50 0 GGAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccc(O)cc2)CC(=O)N3)c1 ZINC000049543431 208454442 /nfs/dbraw/zinc/45/44/42/208454442.db2.gz GNHYWXZGYLHBTP-INIZCTEOSA-N -1 0 378.384 3.364 50 0 biogenic GGAARM CCn1c(COc2ccc(Cl)c3cccnc23)nnc1SCC(=O)[O-] ZINC000000937542 208488319 /nfs/dbraw/zinc/48/83/19/208488319.db2.gz IILOIMLDPFEJPZ-UHFFFAOYSA-N -1 0 378.841 3.255 50 0 GGAARM CC(=O)N[C@@H](CS[C@@H](CC(=O)c1ccc(C)cc1)c1ccco1)C(=O)[O-] ZINC000001896352 208498890 /nfs/dbraw/zinc/49/88/90/208498890.db2.gz YOGOGWMOYMTWKT-YJBOKZPZSA-N -1 0 375.446 3.225 50 0 GGAARM CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000002156032 208500722 /nfs/dbraw/zinc/50/07/22/208500722.db2.gz SVKUVJVFUWNETR-QUJCMNEKSA-N -1 0 389.448 3.128 50 0 biogenic GGAARM CCCC[C@H](NC(=O)Cc1c(C)c2cc(Cl)c(OC)cc2oc1=O)C(=O)[O-] ZINC000002112493 208500977 /nfs/dbraw/zinc/50/09/77/208500977.db2.gz BQSLATADEQKSHX-AWEZNQCLSA-N -1 0 395.839 3.066 50 0 biogenic GGAARM CC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)[O-] ZINC000002100851 208501421 /nfs/dbraw/zinc/50/14/21/208501421.db2.gz DLHJQOOONKHWRX-MRXNPFEDSA-N -1 0 385.416 3.376 50 0 biogenic GGAARM O=C([O-])c1cc(NC(=O)CSc2nnc(-c3cccnc3)o2)ccc1Cl ZINC000004511393 208545739 /nfs/dbraw/zinc/54/57/39/208545739.db2.gz ROZDCYSXPWMSLH-UHFFFAOYSA-N -1 0 390.808 3.214 50 0 GGAARM CCc1nc2sc([C@H](c3cccc(F)c3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000016690151 208798093 /nfs/dbraw/zinc/79/80/93/208798093.db2.gz XBNWGJNHMHCLNG-OZVIIMIRSA-N -1 0 390.484 3.397 50 0 GGAARM O=C([O-])CN1C(=O)S/C(=C/c2ccc(OCCc3ccccc3)cc2)C1=O ZINC000223208361 208896626 /nfs/dbraw/zinc/89/66/26/208896626.db2.gz LCTXZSDGCCZQDI-SFQUDFHCSA-N -1 0 383.425 3.429 50 0 GGAARM CCOC(=O)C[C@@H]1CC(=O)C2=C([O-])c3c(c(Br)ccc3OC)[C@H]2C1 ZINC000229967718 209003707 /nfs/dbraw/zinc/00/37/07/209003707.db2.gz VPGVJCKTBSSIHD-YNHOBRIKSA-N -1 0 395.249 3.286 50 0 GGAARM Cc1cc(F)ccc1C(=O)N1CCc2[nH]c(-c3cccc(C(=O)[O-])c3)nc2C1 ZINC000299802100 209092494 /nfs/dbraw/zinc/09/24/94/209092494.db2.gz RRHZTOXVMDXXKK-UHFFFAOYSA-N -1 0 379.391 3.421 50 0 GGAARM O=S(=O)([N-]CCn1nc(C(F)(F)F)cc1C1CC1)c1c(F)cccc1F ZINC000096103772 209008678 /nfs/dbraw/zinc/00/86/78/209008678.db2.gz XSOIGDGSVBNNRI-UHFFFAOYSA-N -1 0 395.353 3.036 50 0 GGAARM COC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2C1 ZINC000096096302 209011044 /nfs/dbraw/zinc/01/10/44/209011044.db2.gz VMONPNLEAUQJHJ-UHFFFAOYSA-N -1 0 386.882 3.327 50 0 GGAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(N2CC[C@@H](OC)C2)cc1 ZINC000096122376 209011489 /nfs/dbraw/zinc/01/14/89/209011489.db2.gz GOIRBXJVDFCFSI-MRXNPFEDSA-N -1 0 396.896 3.375 50 0 GGAARM Cc1nc(NC(=O)CN2CCCC[C@H]2c2cccc(F)c2)sc1C(=O)[O-] ZINC000252492031 209034909 /nfs/dbraw/zinc/03/49/09/209034909.db2.gz MBDQPEUTIJNIJW-AWEZNQCLSA-N -1 0 377.441 3.455 50 0 GGAARM COc1ccc(-c2n[nH]c(C)c2CC(=O)NCC2(CC(=O)[O-])CCCCC2)cc1 ZINC000253414239 209039370 /nfs/dbraw/zinc/03/93/70/209039370.db2.gz WWJGEMJYBNYHBT-UHFFFAOYSA-N -1 0 399.491 3.478 50 0 GGAARM O=C(c1ccccc1[N-]S(=O)(=O)Cc1ccc(F)cc1)N1CCCCC1 ZINC000016579535 221364796 /nfs/dbraw/zinc/36/47/96/221364796.db2.gz FZUAEGUCHXKPIF-UHFFFAOYSA-N -1 0 376.453 3.394 50 0 GGAARM O=C([O-])c1ccc(-c2ccccc2)nc1N1CCC(C(=O)N2CCCC2)CC1 ZINC000095373743 136178538 /nfs/dbraw/zinc/17/85/38/136178538.db2.gz CBNCFJXFVZNAOV-UHFFFAOYSA-N -1 0 379.460 3.286 50 0 GGAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)c1 ZINC000095389092 136178988 /nfs/dbraw/zinc/17/89/88/136178988.db2.gz MCCGMEKGXNONIJ-HXUWFJFHSA-N -1 0 394.471 3.241 50 0 GGAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCC(OC)CC2)cc1 ZINC000096122398 136183873 /nfs/dbraw/zinc/18/38/73/136183873.db2.gz MDJJWYTYDADGOK-UHFFFAOYSA-N -1 0 394.468 3.250 50 0 GGAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000005154098 136194581 /nfs/dbraw/zinc/19/45/81/136194581.db2.gz BFUAHFOCWDPIAA-UHFFFAOYSA-N -1 0 386.473 3.030 50 0 GGAARM COc1cc([N-]S(=O)(=O)c2ccccc2F)ccc1N1CCCCC1=O ZINC000005329927 136194713 /nfs/dbraw/zinc/19/47/13/136194713.db2.gz JTFYLXIXAOPJAF-UHFFFAOYSA-N -1 0 378.425 3.152 50 0 GGAARM CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc21 ZINC000012180566 136199948 /nfs/dbraw/zinc/19/99/48/136199948.db2.gz FNQATAYNCVIBME-UHFFFAOYSA-N -1 0 380.416 3.455 50 0 GGAARM O=C([O-])CCNc1cc(N2CCc3ccccc3CC2)nc(-c2cccnc2)n1 ZINC000095705079 222359155 /nfs/dbraw/zinc/35/91/55/222359155.db2.gz LJIFOCRGDDQFJF-UHFFFAOYSA-N -1 0 389.459 3.030 50 0 in-vitro GGAARM Cc1c2c(cc(=O)n1Cc1cccnc1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000101535568 222474227 /nfs/dbraw/zinc/47/42/27/222474227.db2.gz FLLOONVSCQEIOR-UHFFFAOYSA-N -1 0 389.440 3.206 50 0 GGAARM CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000004124293 517603572 /nfs/dbraw/zinc/60/35/72/517603572.db2.gz MNKMAHWFZPYVMO-UPJWGTAASA-N -1 0 390.505 3.358 50 0 GGAARM COC(=O)C[C@H](NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccc(SC)cc1 ZINC000245253933 523336639 /nfs/dbraw/zinc/33/66/39/523336639.db2.gz UAXITHCRUDBIMA-XHSDSOJGSA-N -1 0 379.478 3.020 50 0 GGAARM CC(C)(C)OC(=O)N1CCN(c2ccc(F)cc2C(F)(F)F)C[C@H]1C(=O)[O-] ZINC000169725630 534839452 /nfs/dbraw/zinc/83/94/52/534839452.db2.gz LTFYHYFGMHTKDA-ZDUSSCGKSA-N -1 0 392.349 3.355 50 0 GGAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2cccnc2)cc1 ZINC000004756977 525615815 /nfs/dbraw/zinc/61/58/15/525615815.db2.gz CDPVROBPPGANNF-UHFFFAOYSA-N -1 0 381.457 3.121 50 0 GGAARM CCCN1c2ccc([N-]S(=O)(=O)c3cc(C)ccc3OC)cc2CCC1=O ZINC000008840559 535003297 /nfs/dbraw/zinc/00/32/97/535003297.db2.gz BVWXOKDWSNOGIS-UHFFFAOYSA-N -1 0 388.489 3.494 50 0 GGAARM CCC(NCCC1=CCCCC1)=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000101038811 535227161 /nfs/dbraw/zinc/22/71/61/535227161.db2.gz REFCJJQORGRCNL-VHEBQXMUSA-N -1 0 397.475 3.422 50 0 GGAARM O=C([O-])CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O ZINC000013589950 560219998 /nfs/dbraw/zinc/21/99/98/560219998.db2.gz YFHHIZGZVLHBQZ-MTDOSWCTSA-N -1 0 388.504 3.095 50 0 in-vitro GGAARM [O-]C(c1cccs1)=C1[C@@H](c2ccccc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000001314439 564184333 /nfs/dbraw/zinc/18/43/33/564184333.db2.gz ZQBQEESSCRTKOY-ZOWXZIJZSA-N -1 0 386.420 3.017 50 0 GGAARM COc1cccc(OCC(=O)Nc2ccc(Br)cc2C(=O)[O-])c1 ZINC000001175289 564184394 /nfs/dbraw/zinc/18/43/94/564184394.db2.gz VSSIFGXSKVNRRX-UHFFFAOYSA-N -1 0 380.194 3.173 50 0 GGAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000002736315 564189553 /nfs/dbraw/zinc/18/95/53/564189553.db2.gz OIKZJIOJIMOMOR-UHFFFAOYSA-N -1 0 376.253 3.098 50 0 GGAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cnn(Cc2c(F)cccc2Cl)c1 ZINC000002791776 564190491 /nfs/dbraw/zinc/19/04/91/564190491.db2.gz GGGBDPNGCFEVEZ-UHFFFAOYSA-N -1 0 384.820 3.130 50 0 GGAARM Cc1c(Cl)cccc1N1C(=O)C[C@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000002890250 564191774 /nfs/dbraw/zinc/19/17/74/564191774.db2.gz BJIRTCHAYNLSLR-ZDUSSCGKSA-N -1 0 376.821 3.166 50 0 GGAARM O=C([O-])Cc1ccc(NC(=O)c2cccc(I)c2)cc1 ZINC000002881494 564191876 /nfs/dbraw/zinc/19/18/76/564191876.db2.gz VNBZKNXFHSBLTL-UHFFFAOYSA-N -1 0 381.169 3.171 50 0 GGAARM COc1cc(C(=O)[O-])ccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000003246567 564194190 /nfs/dbraw/zinc/19/41/90/564194190.db2.gz UWMJJAHTINDZCS-UHFFFAOYSA-N -1 0 380.194 3.173 50 0 GGAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NCCSc2ccc(Cl)cc2)cc1 ZINC000003765092 564199875 /nfs/dbraw/zinc/19/98/75/564199875.db2.gz FBVIELDAAZXDMN-UHFFFAOYSA-N -1 0 384.910 3.429 50 0 GGAARM O=C([O-])c1cc(Br)cn(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000003884011 564200277 /nfs/dbraw/zinc/20/02/77/564200277.db2.gz MWXQWMZIZAEDKS-UHFFFAOYSA-N -1 0 376.128 3.376 50 0 GGAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(Br)c2)cc1 ZINC000004580708 564203884 /nfs/dbraw/zinc/20/38/84/564203884.db2.gz GOKBMEATXAZWRF-OAHLLOKOSA-N -1 0 378.222 3.404 50 0 GGAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C1 ZINC000004549755 564204262 /nfs/dbraw/zinc/20/42/62/564204262.db2.gz QIVLQMZWKQYAES-CYBMUJFWSA-N -1 0 390.233 3.466 50 0 GGAARM COc1cc(C([O-])=CS(=O)(=O)c2ccc(C)cc2)ccc1Br ZINC000004776237 564206031 /nfs/dbraw/zinc/20/60/31/564206031.db2.gz ZHJAKNSIPYUSGX-UHFFFAOYSA-N -1 0 383.263 3.423 50 0 GGAARM COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000004704793 564206476 /nfs/dbraw/zinc/20/64/76/564206476.db2.gz KZTXYQVVKHKVQL-WUXMJOGZSA-N -1 0 385.825 3.257 50 0 GGAARM Nc1c2cc(C(=O)[O-])c(=O)[nH]c2sc1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004789484 564207143 /nfs/dbraw/zinc/20/71/43/564207143.db2.gz LLUOISHNRDBLMR-UHFFFAOYSA-N -1 0 398.227 3.429 50 0 GGAARM Cc1cccc(CSCCNC(=O)c2ccccc2[N-]S(C)(=O)=O)c1 ZINC000004809366 564207297 /nfs/dbraw/zinc/20/72/97/564207297.db2.gz PCHIVZBSGOROGF-UHFFFAOYSA-N -1 0 378.519 3.030 50 0 GGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000004839257 564207436 /nfs/dbraw/zinc/20/74/36/564207436.db2.gz HFJHDOIDGLAUIN-UHFFFAOYSA-N -1 0 380.853 3.058 50 0 GGAARM CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(N3CCCC3=O)c2)s1 ZINC000005329675 564215796 /nfs/dbraw/zinc/21/57/96/564215796.db2.gz FCFMQQBFINLBFH-UHFFFAOYSA-N -1 0 380.491 3.247 50 0 GGAARM Nc1nc(/C=C/c2cc(Br)ccc2O)nc(-c2ccccc2[O-])n1 ZINC000006343839 564223092 /nfs/dbraw/zinc/22/30/92/564223092.db2.gz JSRXPFJOEBKRBQ-VMPITWQZSA-N -1 0 385.221 3.465 50 0 GGAARM CCOc1ccc2nc(SCC(=O)N3CCC(C(=O)[O-])CC3)sc2c1 ZINC000006508233 564224286 /nfs/dbraw/zinc/22/42/86/564224286.db2.gz QGHLZOKEXNEXQJ-UHFFFAOYSA-N -1 0 380.491 3.110 50 0 GGAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(C)c(Cl)cc1OC ZINC000006916770 564229864 /nfs/dbraw/zinc/22/98/64/564229864.db2.gz WKURRABTNYKURS-UHFFFAOYSA-N -1 0 375.855 3.306 50 0 GGAARM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 ZINC000008104481 564245763 /nfs/dbraw/zinc/24/57/63/564245763.db2.gz OPKVXCPHEJHTLJ-UHFFFAOYSA-N -1 0 384.251 3.267 50 0 GGAARM CCC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2C1 ZINC000008976991 564251402 /nfs/dbraw/zinc/25/14/02/564251402.db2.gz FUMSQDNZECGGSI-UHFFFAOYSA-N -1 0 384.910 3.497 50 0 GGAARM COc1cccc(NC(=O)c2csc([N-]S(=O)(=O)c3cccs3)n2)c1 ZINC000012627879 564269746 /nfs/dbraw/zinc/26/97/46/564269746.db2.gz HQUNUCAPXPTGDE-UHFFFAOYSA-N -1 0 395.487 3.266 50 0 GGAARM O=C([O-])C1(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCCCC1 ZINC000013262869 564275276 /nfs/dbraw/zinc/27/52/76/564275276.db2.gz AGVOBJHDRFDZOS-UHFFFAOYSA-N -1 0 385.791 3.425 50 0 GGAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(C)=O)CC2 ZINC000013697080 564278138 /nfs/dbraw/zinc/27/81/38/564278138.db2.gz HMJZWFGPFPAKMF-UHFFFAOYSA-N -1 0 380.853 3.058 50 0 GGAARM COc1cc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)c(OC)cc1Cl ZINC000016780728 564296243 /nfs/dbraw/zinc/29/62/43/564296243.db2.gz 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570268696 /nfs/dbraw/zinc/26/86/96/570268696.db2.gz LNDYBZOIEYVQNT-INIZCTEOSA-N -1 0 395.502 3.272 50 0 GGAARM COc1cc(C2=NN(C(C)=O)[C@@H](c3ccc(C(=O)[O-])cc3)C2)cc(OC)c1OC ZINC000012249752 570277708 /nfs/dbraw/zinc/27/77/08/570277708.db2.gz CGMKOKGHCDWUHE-QGZVFWFLSA-N -1 0 398.415 3.108 50 0 GGAARM CCOC(=O)N[C@]([N-]c1nc2ccccc2s1)(C(=O)OCC)C(F)(F)F ZINC000002217894 570279552 /nfs/dbraw/zinc/27/95/52/570279552.db2.gz BQUIXVDHQALXQA-CQSZACIVSA-N -1 0 391.371 3.276 50 0 GGAARM COc1cc(CN(C)Cc2cnc3ccccc3n2)ccc1O[C@H](C)C(=O)[O-] ZINC000216271447 570297968 /nfs/dbraw/zinc/29/79/68/570297968.db2.gz PHQRPWIYZWZBNN-CQSZACIVSA-N -1 0 381.432 3.122 50 0 GGAARM NC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CCCCCC2 ZINC000002763977 570299520 /nfs/dbraw/zinc/29/95/20/570299520.db2.gz VHMOGCXEKBECKN-RYUDHWBXSA-N -1 0 378.494 3.336 50 0 GGAARM CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(Cl)cc32)CC1 ZINC000012321801 570313940 /nfs/dbraw/zinc/31/39/40/570313940.db2.gz YKBLBARZMLMQOU-MRXNPFEDSA-N 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MVKCLHVAAFTEKA-UHFFFAOYSA-N -1 0 394.387 3.299 50 0 GGAARM COc1cc2c(cc1OC)[C@@H](C(=O)[O-])[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000004563261 570384779 /nfs/dbraw/zinc/38/47/79/570384779.db2.gz HFVAADLZVRXGFP-QZTJIDSGSA-N -1 0 387.457 3.421 50 0 GGAARM COc1ccc(C(=O)N2CCc3[nH]c(-c4ccc(C(=O)[O-])cc4)nc3C2)cc1C ZINC000220513240 570387817 /nfs/dbraw/zinc/38/78/17/570387817.db2.gz UIQZHGTWLGFHIO-UHFFFAOYSA-N -1 0 391.427 3.290 50 0 GGAARM C[C@@H](CC(=O)[O-])CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000004704320 570395622 /nfs/dbraw/zinc/39/56/22/570395622.db2.gz QTDUPUHYZVSQOM-GOSISDBHSA-N -1 0 380.488 3.421 50 0 GGAARM C[C@H](CC(=O)[O-])CC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000004704319 570395672 /nfs/dbraw/zinc/39/56/72/570395672.db2.gz QTDUPUHYZVSQOM-SFHVURJKSA-N -1 0 380.488 3.421 50 0 GGAARM CCOCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000005017257 570397091 /nfs/dbraw/zinc/39/70/91/570397091.db2.gz FOVJJGORIMCNDK-UHFFFAOYSA-N -1 0 386.477 3.269 50 0 GGAARM CC(C)C[C@@H](C(=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000004725278 570398141 /nfs/dbraw/zinc/39/81/41/570398141.db2.gz PGJVHPHCIWSPOX-WMCAYINRSA-N -1 0 389.451 3.378 50 0 GGAARM CCOc1ccc(N[C@@H]2SC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000004748464 570402118 /nfs/dbraw/zinc/40/21/18/570402118.db2.gz FDDAETMDNYSJPV-MRXNPFEDSA-N -1 0 386.429 3.417 50 0 GGAARM COCCN1CCCc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc21 ZINC000035588199 570402458 /nfs/dbraw/zinc/40/24/58/570402458.db2.gz WSFGPRLVJIVBJG-UHFFFAOYSA-N -1 0 382.432 3.165 50 0 GGAARM CN(C(=O)OC(C)(C)C)[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004899650 570416388 /nfs/dbraw/zinc/41/63/88/570416388.db2.gz OXSCHRIXOPOHCX-INIZCTEOSA-N -1 0 394.468 3.403 50 0 GGAARM CCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)c12 ZINC000035686290 570417889 /nfs/dbraw/zinc/41/78/89/570417889.db2.gz HAAZHXBVIWPKPW-YJYMSZOUSA-N -1 0 389.448 3.047 50 0 GGAARM O=C(C1CC1)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc21 ZINC000005136485 570424662 /nfs/dbraw/zinc/42/46/62/570424662.db2.gz QTGZLOJZFMIWOB-UHFFFAOYSA-N -1 0 392.427 3.455 50 0 GGAARM COc1ccccc1Oc1ccc(S(=O)(=O)NCCCCC(=O)[O-])cc1 ZINC000001795983 570425428 /nfs/dbraw/zinc/42/54/28/570425428.db2.gz IHCPNKJXDLJCDQ-UHFFFAOYSA-N -1 0 379.434 3.021 50 0 GGAARM CCC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000239159636 570428274 /nfs/dbraw/zinc/42/82/74/570428274.db2.gz MNKMAHWFZPYVMO-JHJVBQTASA-N -1 0 390.505 3.358 50 0 GGAARM O=C([O-])c1cccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccco2)c1 ZINC000005102094 570429313 /nfs/dbraw/zinc/42/93/13/570429313.db2.gz FFQLFICCQSGCMJ-SFQUDFHCSA-N -1 0 376.368 3.387 50 0 GGAARM CCOC(=O)[C@@]1(C)CC(=Nc2ccccc2C(=O)[O-])C(=O)N1c1ccccc1 ZINC000001823489 570436455 /nfs/dbraw/zinc/43/64/55/570436455.db2.gz SKJHLTIMOZUVFU-OAQYLSRUSA-N -1 0 380.400 3.049 50 0 GGAARM COc1c(C)cc([N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)cc1C ZINC000005451230 570440446 /nfs/dbraw/zinc/44/04/46/570440446.db2.gz ZVXKQZXFPPCBBQ-UHFFFAOYSA-N -1 0 396.852 3.211 50 0 GGAARM COc1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c(OC)c1 ZINC000011859837 570440459 /nfs/dbraw/zinc/44/04/59/570440459.db2.gz QRSDGLDESPCXAN-UHFFFAOYSA-N -1 0 384.413 3.224 50 0 GGAARM COc1ccc(C[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2nnn[n-]2)cc1 ZINC000005484061 570441672 /nfs/dbraw/zinc/44/16/72/570441672.db2.gz LVEIYBBDLNVAIY-HNNXBMFYSA-N -1 0 391.353 3.192 50 0 GGAARM C[C@@H]1CCC[C@H](NC(=S)N[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1C ZINC000006468241 570442797 /nfs/dbraw/zinc/44/27/97/570442797.db2.gz IHOUTULNJLPZEY-CPUCHLNUSA-N -1 0 397.610 3.466 50 0 GGAARM O=S(=O)([N-]c1ccc(Nc2cc(-n3cccn3)ncn2)cc1)c1cccs1 ZINC000042380453 570466268 /nfs/dbraw/zinc/46/62/68/570466268.db2.gz DBZGRYLYWAYDLG-UHFFFAOYSA-N -1 0 398.473 3.268 50 0 GGAARM Cc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)[O-])c(C)c2oc1=O ZINC000006417467 570479430 /nfs/dbraw/zinc/47/94/30/570479430.db2.gz CDKWACSMHPTBAQ-GOEBONIOSA-N -1 0 389.448 3.101 50 0 GGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC3CCCCC3)cc2)no1 ZINC000006690888 570488034 /nfs/dbraw/zinc/48/80/34/570488034.db2.gz QAMCABQERDQMGU-UHFFFAOYSA-N -1 0 394.522 3.403 50 0 GGAARM CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)ccc12 ZINC000006593785 570488905 /nfs/dbraw/zinc/48/89/05/570488905.db2.gz AJEXICSUMPKHSO-BLVKFPJESA-N -1 0 389.448 3.048 50 0 GGAARM CCOc1ccccc1N1CCN(C(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])CC1 ZINC000006714327 570489844 /nfs/dbraw/zinc/48/98/44/570489844.db2.gz ZRQXDLYCJMEUDM-QZTJIDSGSA-N -1 0 386.492 3.181 50 0 GGAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000006742665 570491598 /nfs/dbraw/zinc/49/15/98/570491598.db2.gz GNRBLRPIKHEPKM-FUICEZJUSA-N -1 0 390.911 3.121 50 0 GGAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@H](c2cnn(C)c2)CC(=O)N3)cc1 ZINC000061718001 570501151 /nfs/dbraw/zinc/50/11/51/570501151.db2.gz FNURVMSMWAKMBM-ZDUSSCGKSA-N -1 0 383.429 3.330 50 0 GGAARM O=C([O-])c1ccc2c(c1)S[C@@H](CC(=O)Nc1cc(F)c(F)c(F)c1)C(=O)N2 ZINC000061718580 570501471 /nfs/dbraw/zinc/50/14/71/570501471.db2.gz JSNYVUPOMZVVSK-ZDUSSCGKSA-N -1 0 396.346 3.244 50 0 GGAARM CC(=O)Nc1cccc(NC(=O)C[C@H]2Sc3cc(C(=O)[O-])ccc3NC2=O)c1 ZINC000061718619 570501588 /nfs/dbraw/zinc/50/15/88/570501588.db2.gz WTIHSMAZEYLYKH-MRXNPFEDSA-N -1 0 399.428 3.434 50 0 GGAARM Cc1ccc(NC(=O)CSC2=NC(=O)C(Cc3ccccc3)C([O-])=N2)cc1 ZINC000002783354 570514130 /nfs/dbraw/zinc/51/41/30/570514130.db2.gz MGUANHRFSIVZSR-UHFFFAOYSA-N -1 0 381.457 3.106 50 0 GGAARM Cc1nn(C(F)F)c(C)c1S(=O)(=O)[N-]c1ccn(Cc2cccc(F)c2)n1 ZINC000002804606 570517360 /nfs/dbraw/zinc/51/73/60/570517360.db2.gz DGINCBKZQNWYTN-UHFFFAOYSA-N -1 0 399.398 3.080 50 0 GGAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000002804884 570517683 /nfs/dbraw/zinc/51/76/83/570517683.db2.gz IGXNGBUTHGIGIJ-UHFFFAOYSA-N -1 0 393.900 3.044 50 0 GGAARM O=C([O-])COc1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000008189201 570523493 /nfs/dbraw/zinc/52/34/93/570523493.db2.gz MPCSHNRAIDKPAG-UHFFFAOYSA-N -1 0 380.356 3.248 50 0 GGAARM O=C([O-])c1ccccc1CC(=O)Nc1cc(C(=O)N2CCCC2)ccc1Cl ZINC000071283975 570524183 /nfs/dbraw/zinc/52/41/83/570524183.db2.gz BKPANURPGOZLEP-UHFFFAOYSA-N -1 0 386.835 3.455 50 0 GGAARM COc1ccc(NC(=O)CCCn2c(=O)c3ccccc3[n-]c2=S)cc1OC ZINC000002971412 570524165 /nfs/dbraw/zinc/52/41/65/570524165.db2.gz TVOMJXWOHOTGKQ-UHFFFAOYSA-N -1 0 399.472 3.495 50 0 GGAARM O=C([O-])[C@H](O)[C@@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000253186028 570528044 /nfs/dbraw/zinc/52/80/44/570528044.db2.gz RCCHOIFXNCAKGF-JLTOFOAXSA-N -1 0 381.428 3.093 50 0 GGAARM O=C([O-])[C@@H](O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000253186031 570528067 /nfs/dbraw/zinc/52/80/67/570528067.db2.gz RCCHOIFXNCAKGF-XOBRGWDASA-N -1 0 381.428 3.093 50 0 GGAARM O=C([O-])[C@H](O)[C@H]1CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000253186029 570528093 /nfs/dbraw/zinc/52/80/93/570528093.db2.gz RCCHOIFXNCAKGF-VBKZILBWSA-N -1 0 381.428 3.093 50 0 GGAARM CCN1c2ccc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3)c3cccc(c23)C1=O ZINC000008715843 570537820 /nfs/dbraw/zinc/53/78/20/570537820.db2.gz CBPXBCVQCOZQPF-UHFFFAOYSA-N -1 0 396.424 3.319 50 0 GGAARM COC(=O)C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])c1ccc(SC)cc1 ZINC000245253932 570579203 /nfs/dbraw/zinc/57/92/03/570579203.db2.gz UAXITHCRUDBIMA-OAGGEKHMSA-N -1 0 379.478 3.020 50 0 GGAARM COc1ccccc1[N-]S(=O)(=O)c1c(C)nn(-c2ccc(F)cc2)c1C ZINC000036353467 570635042 /nfs/dbraw/zinc/63/50/42/570635042.db2.gz GZKGYIXKXJDTCC-UHFFFAOYSA-N -1 0 375.425 3.438 50 0 GGAARM COc1ccccc1-c1nc(CC(=O)NCc2cccc(C(=O)[O-])c2)cs1 ZINC000036357820 570638488 /nfs/dbraw/zinc/63/84/88/570638488.db2.gz XFZCKYZHJAIQOL-UHFFFAOYSA-N -1 0 382.441 3.376 50 0 GGAARM O=C([O-])CCC(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000012390297 570642583 /nfs/dbraw/zinc/64/25/83/570642583.db2.gz TZHJAHHYRULGQH-QGZVFWFLSA-N -1 0 380.429 3.234 50 0 GGAARM COc1cccc(Cn2c(C)c3c(cc2=O)[n-]n(-c2ccc(Cl)cc2)c3=O)c1 ZINC000012323303 570642749 /nfs/dbraw/zinc/64/27/49/570642749.db2.gz WPIWAXZFQDQWLA-UHFFFAOYSA-N -1 0 395.846 3.499 50 0 GGAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc(-c2ccc(F)cc2)nn1C ZINC000012427790 570657781 /nfs/dbraw/zinc/65/77/81/570657781.db2.gz JKRPKOXTONOMSF-UHFFFAOYSA-N -1 0 379.388 3.175 50 0 GGAARM Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4cccnc4)[C@@H]3C2=O)c1 ZINC000229816878 570666735 /nfs/dbraw/zinc/66/67/35/570666735.db2.gz MEXIFCKJJODSBW-PWRODBHTSA-N -1 0 385.423 3.441 50 0 GGAARM CCOc1ccc(CCNC(=O)c2c([O-])c3ccccc3[nH]c2=O)cc1OCC ZINC000012416052 570669987 /nfs/dbraw/zinc/66/99/87/570669987.db2.gz MHVXSBZNEWGNKK-UHFFFAOYSA-N -1 0 396.443 3.004 50 0 GGAARM CCOC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000072325103 570673396 /nfs/dbraw/zinc/67/33/96/570673396.db2.gz UMPGTJNBGUPLKC-OAHLLOKOSA-N -1 0 395.411 3.090 50 0 biogenic GGAARM CCOC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1c([O-])c2ccccc2[nH]c1=O ZINC000072325379 570673630 /nfs/dbraw/zinc/67/36/30/570673630.db2.gz YQNRDIRGQNFUNM-AWEZNQCLSA-N -1 0 383.400 3.033 50 0 biogenic GGAARM CCOC(=O)C[C@@H](c1ccc(OC)c(OC)c1)c1c([O-])c2ccccc2[nH]c1=O ZINC000072326110 570673995 /nfs/dbraw/zinc/67/39/95/570673995.db2.gz GCXMHRGTRIZFOX-HNNXBMFYSA-N -1 0 397.427 3.336 50 0 biogenic GGAARM O=C([O-])[C@@]1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCCOC1 ZINC000685945064 570675846 /nfs/dbraw/zinc/67/58/46/570675846.db2.gz ROPSOULNRQHBBZ-JOCHJYFZSA-N -1 0 381.428 3.407 50 0 GGAARM CC(C)(CNc1cccc(Cl)c1)NC(=O)c1cccc(NCC(=O)[O-])c1 ZINC000055182899 570686262 /nfs/dbraw/zinc/68/62/62/570686262.db2.gz DACHCRXXABIGTA-UHFFFAOYSA-N -1 0 375.856 3.457 50 0 GGAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000117997130 570698759 /nfs/dbraw/zinc/69/87/59/570698759.db2.gz BVEHJVDGBLGYCN-FQEVSTJZSA-N -1 0 389.411 3.170 50 0 GGAARM CCOC(=O)[C@@]([N-]c1ccccc1F)(NC(=O)c1ccccc1)C(F)(F)F ZINC000003138032 570707438 /nfs/dbraw/zinc/70/74/38/570707438.db2.gz KICYSEYCCKGACH-QGZVFWFLSA-N -1 0 384.329 3.489 50 0 GGAARM Cc1ccc([C@H]2CC(c3ccc4c(c3)OCO4)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000058196740 570718601 /nfs/dbraw/zinc/71/86/01/570718601.db2.gz DJJFTGQIIHKGJK-QGZVFWFLSA-N -1 0 380.400 3.266 50 0 GGAARM O=C([O-])CCC/C=C\C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O ZINC000013589951 570761049 /nfs/dbraw/zinc/76/10/49/570761049.db2.gz HNPFPERDNWXAGS-NFVOFSAMSA-N -1 0 390.520 3.319 50 0 in-vitro GGAARM Cc1cc2c(c(=O)n1C)[C@H](c1ccc(-c3ccc(C(=O)[O-])cc3)o1)CC(=O)O2 ZINC000524729672 570765525 /nfs/dbraw/zinc/76/55/25/570765525.db2.gz DGRBOVBZGQOWNW-AWEZNQCLSA-N -1 0 379.368 3.093 50 0 biogenic GGAARM O=C([O-])c1ccccc1-c1c(-c2ccccc2)ncn1[C@@H]1CCS(=O)(=O)C1 ZINC000065407613 570767075 /nfs/dbraw/zinc/76/70/75/570767075.db2.gz IBOGRFRZIYFAGG-OAHLLOKOSA-N -1 0 382.441 3.275 50 0 GGAARM Cc1oc(-c2ccco2)nc1COc1cccc(N2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000067490409 570780385 /nfs/dbraw/zinc/78/03/85/570780385.db2.gz RUAQJMYXWUBPQV-ZDUSSCGKSA-N -1 0 382.372 3.260 50 0 GGAARM Cc1n[nH]c(C)c1[C@H](NC(=O)C1(Nc2ccc(C)cc2)CCCCC1)C(=O)[O-] ZINC000067688899 570786398 /nfs/dbraw/zinc/78/63/98/570786398.db2.gz IHICQSBWJAZILZ-SFHVURJKSA-N -1 0 384.480 3.392 50 0 GGAARM CCn1nc(C(=O)[O-])c2c1CCN(C(=O)c1ccc(-c3ccc(C)cc3)o1)C2 ZINC000067872892 570795664 /nfs/dbraw/zinc/79/56/64/570795664.db2.gz WHPZVPYGWLRALI-UHFFFAOYSA-N -1 0 379.416 3.368 50 0 GGAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000309777626 570797539 /nfs/dbraw/zinc/79/75/39/570797539.db2.gz CUEKEGNVZMTOHX-JOCHJYFZSA-N -1 0 381.428 3.359 50 0 GGAARM COC[C@]1(C(=O)[O-])CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000309777627 570797706 /nfs/dbraw/zinc/79/77/06/570797706.db2.gz CUEKEGNVZMTOHX-QFIPXVFZSA-N -1 0 381.428 3.359 50 0 GGAARM CCOC(=O)[C@@]1(C)C=C(Nc2ccc(C(=O)[O-])cc2)C(=O)N1c1ccccc1 ZINC000001825942 570820034 /nfs/dbraw/zinc/82/00/34/570820034.db2.gz KIINBVKKUZIAIO-OAQYLSRUSA-N -1 0 380.400 3.049 50 0 GGAARM O=C([O-])c1ccc(NC(=O)c2cccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)cc1 ZINC000004681061 570828576 /nfs/dbraw/zinc/82/85/76/570828576.db2.gz GKOJNFFVPXCUTM-QZTJIDSGSA-N -1 0 390.395 3.093 50 0 GGAARM O=C([O-])[C@]1(Cc2ccccc2F)CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000071405598 570832869 /nfs/dbraw/zinc/83/28/69/570832869.db2.gz OLBGMBNKUDIFJZ-NRFANRHFSA-N -1 0 385.391 3.104 50 0 GGAARM C/C(=C/C(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cc(C)on2)cc1)C(=O)[O-] ZINC000037018967 570833358 /nfs/dbraw/zinc/83/33/58/570833358.db2.gz ULQYAZHRZWFWFJ-CUZBXDDWSA-N -1 0 389.433 3.072 50 0 GGAARM O=C([O-])CCCn1cc(NC(=O)c2cccc(COCC(F)(F)F)c2)cn1 ZINC000004694890 570840839 /nfs/dbraw/zinc/84/08/39/570840839.db2.gz MQJUINXOOYECIW-UHFFFAOYSA-N -1 0 385.342 3.079 50 0 GGAARM O=C([O-])c1cc(-c2cccc(-n3cccn3)c2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000071613920 570841396 /nfs/dbraw/zinc/84/13/96/570841396.db2.gz OXOCQQGJACYNDL-UHFFFAOYSA-N -1 0 397.456 3.022 50 0 GGAARM O=C([O-])CCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000071624160 570841718 /nfs/dbraw/zinc/84/17/18/570841718.db2.gz QWHLFJJLRVOHTM-UHFFFAOYSA-N -1 0 399.443 3.033 50 0 GGAARM CCCOc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000004698566 570842893 /nfs/dbraw/zinc/84/28/93/570842893.db2.gz IRHZEFYWQJZNST-QGZVFWFLSA-N -1 0 381.425 3.109 50 0 GGAARM O=C([O-])c1cc(-c2ccncc2F)cc(S(=O)(=O)N2CCCCCC2)c1 ZINC000071721454 570844104 /nfs/dbraw/zinc/84/41/04/570844104.db2.gz AVZRIWSIZCKPDQ-UHFFFAOYSA-N -1 0 378.425 3.151 50 0 GGAARM O=C(c1cc(=O)[nH][n-]1)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000071746558 570845177 /nfs/dbraw/zinc/84/51/77/570845177.db2.gz VFMUISOXZZEBNS-SFHVURJKSA-N -1 0 377.444 3.179 50 0 GGAARM Cc1c(-c2nccn2Cc2ccc(C(=O)[O-])s2)c(=O)n(-c2ccccc2)n1C ZINC000071746990 570845266 /nfs/dbraw/zinc/84/52/66/570845266.db2.gz SFXOEPBSPWZRKW-UHFFFAOYSA-N -1 0 394.456 3.156 50 0 GGAARM O=C([O-])[C@@H](C[C@@H]1CCOC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000226811544 570848054 /nfs/dbraw/zinc/84/80/54/570848054.db2.gz WMXXWGFTNHLUAL-VBKZILBWSA-N -1 0 381.428 3.405 50 0 GGAARM Cc1cc(C)nc(-n2nc3[nH]cc4c(c-3c2=O)C[C@H](c2ccccc2)CC4=O)n1 ZINC000102752673 570862059 /nfs/dbraw/zinc/86/20/59/570862059.db2.gz FMHPDQAKVCBCJE-HNNXBMFYSA-N -1 0 385.427 3.446 50 0 GGAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 ZINC000102810659 570864876 /nfs/dbraw/zinc/86/48/76/570864876.db2.gz CZFZDDYZDVLPCP-SFHVURJKSA-N -1 0 390.399 3.127 50 0 GGAARM COc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccccc3)cnn21 ZINC000102810723 570864975 /nfs/dbraw/zinc/86/49/75/570864975.db2.gz FXQABJWRJXZPTA-KRWDZBQOSA-N -1 0 390.399 3.127 50 0 GGAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccc(F)cc3)cnn2[C@@H](c2ccccc2F)C1 ZINC000102820692 570865882 /nfs/dbraw/zinc/86/58/82/570865882.db2.gz DWRMBKVFDWNJKD-QGZVFWFLSA-N -1 0 396.353 3.397 50 0 GGAARM COc1ccc(F)c(C(=O)N2CC[C@H](Cc3cccc(C(=O)[O-])c3)C2)c1F ZINC000072143409 570870651 /nfs/dbraw/zinc/87/06/51/570870651.db2.gz KSJKKYLQHKZSIX-CYBMUJFWSA-N -1 0 375.371 3.376 50 0 GGAARM Cc1nc(C2CC2)ncc1C(=O)N1CCC(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000072145106 570871128 /nfs/dbraw/zinc/87/11/28/570871128.db2.gz ITHWRHQLRRDSLF-UHFFFAOYSA-N -1 0 379.460 3.456 50 0 GGAARM C[C@H]1Cc2cccc3c2n1c(=O)c(C(=O)NCCc1cccc(Cl)c1)c3[O-] ZINC000170624727 570880852 /nfs/dbraw/zinc/88/08/52/570880852.db2.gz PJWSLHLJDHMXSQ-LBPRGKRZSA-N -1 0 382.847 3.450 50 0 GGAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccccn2)c(Cl)c1 ZINC000071285337 570888352 /nfs/dbraw/zinc/88/83/52/570888352.db2.gz MFCHTQUFZGJQLX-CABCVRRESA-N -1 0 387.823 3.283 50 0 GGAARM CC[C@H](Oc1ccccc1)c1nnc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)s1 ZINC000071286076 570888390 /nfs/dbraw/zinc/88/83/90/570888390.db2.gz KFCYNKIKHHPRKN-RWMBFGLXSA-N -1 0 375.450 3.364 50 0 GGAARM COC(=O)c1ccc(-c2ccc(C=C(Sc3nc(C)n[nH]3)C(=O)[O-])o2)cc1 ZINC000005721337 570903354 /nfs/dbraw/zinc/90/33/54/570903354.db2.gz ORHOSDZWUXQBCG-OQLLNIDSSA-N -1 0 385.401 3.378 50 0 GGAARM O=C([O-])c1cccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c1 ZINC000004577008 570903854 /nfs/dbraw/zinc/90/38/54/570903854.db2.gz BKXNISDBIRMTHQ-UHFFFAOYSA-N -1 0 380.400 3.180 50 0 GGAARM Cc1nc2sc([C@H](c3ccc(F)cc3)N3C[C@@H](C)O[C@H](C)C3)c([O-])n2n1 ZINC000023157511 570920537 /nfs/dbraw/zinc/92/05/37/570920537.db2.gz ZONACRCSPZISRT-HFAKWTLXSA-N -1 0 376.457 3.143 50 0 GGAARM COc1cccc([C@H](c2sc3nc(C)nn3c2[O-])N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000023157891 570920828 /nfs/dbraw/zinc/92/08/28/570920828.db2.gz SSWVLZVKMZTSHP-MQIPJXDCSA-N -1 0 388.493 3.012 50 0 GGAARM O=C(c1csc([N-]S(=O)(=O)c2ccccc2)n1)N1CCc2ccccc21 ZINC000012628011 570928170 /nfs/dbraw/zinc/92/81/70/570928170.db2.gz SHNJVMIUSSSFBA-UHFFFAOYSA-N -1 0 385.470 3.147 50 0 GGAARM Cc1nc2sc([C@@H](c3ccc(F)cc3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000017144207 570928480 /nfs/dbraw/zinc/92/84/80/570928480.db2.gz ZONACRCSPZISRT-JRPNMDOOSA-N -1 0 376.457 3.143 50 0 GGAARM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C(=O)[O-])c1cnn(C)c1 ZINC000226781680 570936701 /nfs/dbraw/zinc/93/67/01/570936701.db2.gz XLIZBJKJZLQENH-HXUWFJFHSA-N -1 0 391.427 3.427 50 0 GGAARM CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](C(=O)[O-])c1cnn(C)c1 ZINC000226781686 570936769 /nfs/dbraw/zinc/93/67/69/570936769.db2.gz XLIZBJKJZLQENH-FQEVSTJZSA-N -1 0 391.427 3.427 50 0 GGAARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=C1C[C@@H](c2cccs2)NN1 ZINC000017029300 570937911 /nfs/dbraw/zinc/93/79/11/570937911.db2.gz QYHOVZLTAWGGDX-CDZMIXDFSA-N -1 0 388.836 3.318 50 0 GGAARM CC[C@H](C)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-] ZINC000002096636 570941343 /nfs/dbraw/zinc/94/13/43/570941343.db2.gz VGXCIBPQEKJWIO-IXBGWNDUSA-N -1 0 389.448 3.101 50 0 biogenic GGAARM Cc1c2oc3c(c2cc2c(C)c(CC(=O)N[C@@H](C)C(=O)[O-])c(=O)oc12)CCCC3 ZINC000002102574 570942106 /nfs/dbraw/zinc/94/21/06/570942106.db2.gz JBBWJTWWKIIEMQ-LBPRGKRZSA-N -1 0 397.427 3.167 50 0 biogenic GGAARM COc1ccc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=NCCS2)cc1OC ZINC000005441459 570947573 /nfs/dbraw/zinc/94/75/73/570947573.db2.gz QSEUXIIIAQJIFL-KRWDZBQOSA-N -1 0 375.446 3.338 50 0 biogenic GGAARM CCCNC(=O)Cc1nc(=O)c2snc(-c3cccc(C(F)(F)F)c3)c2[n-]1 ZINC000585138552 570950510 /nfs/dbraw/zinc/95/05/10/570950510.db2.gz AOUMHPSYJLTALE-UHFFFAOYSA-N -1 0 396.394 3.134 50 0 GGAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2cnn(C[C@@H]3COc4ccccc4O3)c2)c1 ZINC000208000091 570957191 /nfs/dbraw/zinc/95/71/91/570957191.db2.gz UPYQYEJPQBLDKG-QGZVFWFLSA-N -1 0 399.472 3.141 50 0 GGAARM CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(CCC)cc(=O)oc2c1)C(=O)[O-] ZINC000002153265 570973059 /nfs/dbraw/zinc/97/30/59/570973059.db2.gz QOMGFEQIZGTBER-CXAGYDPISA-N -1 0 389.448 3.272 50 0 biogenic GGAARM Cc1oc2cc3oc(=O)c(CCC(=O)NCCCC(=O)[O-])c(C)c3cc2c1C ZINC000002155280 570973443 /nfs/dbraw/zinc/97/34/43/570973443.db2.gz OMJGLDLUOFJXDL-UHFFFAOYSA-N -1 0 385.416 3.378 50 0 biogenic GGAARM O=C([O-])[C@H](O)C1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1 ZINC000725240585 570974861 /nfs/dbraw/zinc/97/48/61/570974861.db2.gz PENZOPQDRUIPBT-HXUWFJFHSA-N -1 0 381.428 3.093 50 0 GGAARM C[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(c3ccccc3C(=O)[O-])C(=O)N21 ZINC000008489398 570975920 /nfs/dbraw/zinc/97/59/20/570975920.db2.gz AJQRWQROQKHODQ-PIGZYNQJSA-N -1 0 375.384 3.321 50 0 GGAARM O=C([O-])CC[C@H](NC(=O)c1cc(N2CCCC2=O)ccc1F)c1ccccc1 ZINC000139418775 600839505 /nfs/dbraw/zinc/83/95/05/600839505.db2.gz RLHWVSOPENYYOE-SFHVURJKSA-N -1 0 384.407 3.288 50 0 GGAARM COc1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)cc(Cl)c1OCC(C)C ZINC000532259353 600959933 /nfs/dbraw/zinc/95/99/33/600959933.db2.gz BXRZNBLFFANEKH-UHFFFAOYSA-N -1 0 399.871 3.089 50 0 GGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(I)c(C)c2)c1 ZINC000096305734 655030660 /nfs/dbraw/zinc/03/06/60/655030660.db2.gz HDQQMXHZAOZICA-UHFFFAOYSA-N -1 0 388.230 3.104 50 0 GGAARM O=C([O-])[C@H](Cc1ncccn1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002385676 1398309379 /nfs/dbraw/zinc/30/93/79/1398309379.db2.gz ZYEBSBDLCHRWNS-IBGZPJMESA-N -1 0 389.411 3.011 50 0 GGAARM O=S(=O)([N-]c1ncn(Cc2ccc(F)cc2)n1)c1ccc2ccccc2c1 ZINC000002776741 1398319057 /nfs/dbraw/zinc/31/90/57/1398319057.db2.gz MXVFFTCNOKPZBE-UHFFFAOYSA-N -1 0 382.420 3.420 50 0 GGAARM CCn1ncc(S(=O)(=O)[N-]c2ccn(Cc3c(F)cccc3Cl)n2)c1C ZINC000002804931 1398319439 /nfs/dbraw/zinc/31/94/39/1398319439.db2.gz KYUSJLREZKEIRS-UHFFFAOYSA-N -1 0 397.863 3.050 50 0 GGAARM CCCCCn1c(=O)c2ccc(C(=O)NC[C@H]3CCCO3)cc2[n-]c1=S ZINC000003631124 1398374923 /nfs/dbraw/zinc/37/49/23/1398374923.db2.gz QYLKMFNUQOCQFV-CQSZACIVSA-N -1 0 375.494 3.158 50 0 GGAARM CC(C)c1ccc(C(=O)C[C@@H](C(=O)[O-])N2CCN(Oc3ccccc3)CC2)cc1 ZINC000004118411 1398380755 /nfs/dbraw/zinc/38/07/55/1398380755.db2.gz SNNFWRDIPWHKEG-NRFANRHFSA-N -1 0 396.487 3.448 50 0 GGAARM CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc4nncn4n3)c2)s1 ZINC000004270251 1398387388 /nfs/dbraw/zinc/38/73/88/1398387388.db2.gz PVZUDVLESOSNTK-UHFFFAOYSA-N -1 0 385.474 3.216 50 0 GGAARM CCc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)c(=O)[n-]2)cc1 ZINC000004317373 1398392585 /nfs/dbraw/zinc/39/25/85/1398392585.db2.gz IIKHEEAYDPYKOI-UHFFFAOYSA-N -1 0 380.473 3.461 50 0 GGAARM COC(=O)c1ccc(NC(=O)c2c([O-])c3ccccc3n(CC(C)C)c2=O)cc1 ZINC000005563318 1398453668 /nfs/dbraw/zinc/45/36/68/1398453668.db2.gz HFSRBMCWQMNPHL-UHFFFAOYSA-N -1 0 394.427 3.402 50 0 GGAARM CCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C(=O)OC)cc2)c1=O ZINC000005904463 1398491048 /nfs/dbraw/zinc/49/10/48/1398491048.db2.gz FESKKVLRVYRGAF-UHFFFAOYSA-N -1 0 380.400 3.156 50 0 GGAARM CC(C)C(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2C1 ZINC000008977058 1398850586 /nfs/dbraw/zinc/85/05/86/1398850586.db2.gz BKVAAPVHTOCASE-UHFFFAOYSA-N -1 0 376.453 3.167 50 0 GGAARM CC(Nc1ccc(N(C)C)cc1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000008974785 1398850634 /nfs/dbraw/zinc/85/06/34/1398850634.db2.gz YNAWMEOMYDFHKB-NBVRZTHBSA-N -1 0 378.432 3.030 50 0 GGAARM Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2)sc1C(=O)NCc1ccco1 ZINC000008978877 1398851215 /nfs/dbraw/zinc/85/12/15/1398851215.db2.gz KZQLITXBKGADBL-UHFFFAOYSA-N -1 0 391.474 3.084 50 0 GGAARM CC(Nc1ccc(N(C)C)cc1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000008994419 1398851529 /nfs/dbraw/zinc/85/15/29/1398851529.db2.gz HMQPGOGBFYFLFX-NBVRZTHBSA-N -1 0 378.432 3.030 50 0 GGAARM O=C1[N-]C(=O)[C@]2(Cc3cccc(F)c3N3CCC[C@@H]32)C(=O)N1c1ccccc1 ZINC000008996051 1398851576 /nfs/dbraw/zinc/85/15/76/1398851576.db2.gz VGPPNMJOTXACEX-IIBYNOLFSA-N -1 0 379.391 3.460 50 0 GGAARM O=C1[N-]C(=O)[C@@]2(Cc3cccc(F)c3N3CCC[C@@H]32)C(=O)N1c1ccccc1 ZINC000008996052 1398851668 /nfs/dbraw/zinc/85/16/68/1398851668.db2.gz VGPPNMJOTXACEX-IERDGZPVSA-N -1 0 379.391 3.460 50 0 GGAARM Cc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc(C)ccc4N(C)C3)C2=O)c(C)c1 ZINC000009087566 1398853759 /nfs/dbraw/zinc/85/37/59/1398853759.db2.gz NFPZUBGRVIOXRH-JOCHJYFZSA-N -1 0 377.444 3.078 50 0 GGAARM CCOc1ccc(NC(CC)=C2C(=O)[N-]C(=O)N(c3ccccc3)C2=O)cc1 ZINC000009397381 1398857914 /nfs/dbraw/zinc/85/79/14/1398857914.db2.gz LGXWSYPAKULPSP-ISLYRVAYSA-N -1 0 379.416 3.444 50 0 GGAARM Cc1coc2cc3oc(=O)c(CCC(=O)N4CCC[C@@H](C(=O)[O-])C4)c(C)c3cc12 ZINC000012892095 1399064486 /nfs/dbraw/zinc/06/44/86/1399064486.db2.gz STVITWUSWOLPAB-CQSZACIVSA-N -1 0 397.427 3.412 50 0 biogenic GGAARM COc1cccc(-c2nc(CC(=O)NCC3CCC(C(=O)[O-])CC3)cs2)c1 ZINC000020731974 1399352188 /nfs/dbraw/zinc/35/21/88/1399352188.db2.gz VBSWPSMMYULNMM-UHFFFAOYSA-N -1 0 388.489 3.368 50 0 GGAARM CCN1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(Cl)cc2)CC1 ZINC000022458829 1399465559 /nfs/dbraw/zinc/46/55/59/1399465559.db2.gz BTIVDEJBYPHZLT-HNNXBMFYSA-N -1 0 391.928 3.185 50 0 GGAARM CCc1nc2sc([C@@H](c3ccc(C)cc3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022578080 1399479179 /nfs/dbraw/zinc/47/91/79/1399479179.db2.gz QXULODGLVHYUCT-QGZVFWFLSA-N -1 0 385.537 3.094 50 0 GGAARM CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022577812 1399479236 /nfs/dbraw/zinc/47/92/36/1399479236.db2.gz BGRCCCKTYXFWNS-OAHLLOKOSA-N -1 0 391.928 3.049 50 0 GGAARM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(C)n3)cc2)cc1 ZINC000027825410 1400096946 /nfs/dbraw/zinc/09/69/46/1400096946.db2.gz SKWKRMARIWWOBE-UHFFFAOYSA-N -1 0 397.456 3.452 50 0 GGAARM C[C@@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1 ZINC000057119376 1407522991 /nfs/dbraw/zinc/52/29/91/1407522991.db2.gz SNRMYAQCUZOVEN-CQSZACIVSA-N -1 0 398.488 3.378 50 0 GGAARM COc1ccc(OC)c(-n2cc(C(=O)[O-])c3c2[C@@H](C(F)(F)F)CC(=O)N3)c1 ZINC000066091442 1408781510 /nfs/dbraw/zinc/78/15/10/1408781510.db2.gz BFMAPMCJQGDCLI-JTQLQIEISA-N -1 0 384.310 3.181 50 0 GGAARM COc1ccc(OC)c(-n2cc(C(=O)[O-])c3c2[C@H](C(F)(F)F)CC(=O)N3)c1 ZINC000066091441 1408781593 /nfs/dbraw/zinc/78/15/93/1408781593.db2.gz BFMAPMCJQGDCLI-SNVBAGLBSA-N -1 0 384.310 3.181 50 0 GGAARM O=C([O-])c1n[nH]cc1CN1CCc2onc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000067770501 1409226304 /nfs/dbraw/zinc/22/63/04/1409226304.db2.gz WFJCPBVTNYWSLO-UHFFFAOYSA-N -1 0 392.337 3.340 50 0 GGAARM COc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3[C@H](C(=O)[O-])C3(C)C)cc2)cc1 ZINC000071280209 1409823079 /nfs/dbraw/zinc/82/30/79/1409823079.db2.gz FPHASLRBCOCHIU-IAGOWNOFSA-N -1 0 382.416 3.243 50 0 GGAARM Clc1cc2c(cc1-c1nccn1-c1ccc(Oc3nnn[n-]3)cc1)OCO2 ZINC000072174015 1423413290 /nfs/dbraw/zinc/41/32/90/1423413290.db2.gz IETGBFNTDKWHPA-UHFFFAOYSA-N -1 0 382.767 3.227 50 0 GGAARM O=C(c1ccccc1-c1nn[n-]n1)N1CCc2[nH]c3c(cccc3Cl)c2C1 ZINC000072430187 1423788043 /nfs/dbraw/zinc/78/80/43/1423788043.db2.gz QZYLYQRGKMYEBV-UHFFFAOYSA-N -1 0 378.823 3.200 50 0 GGAARM O=C(Nc1ccc(Oc2nn[n-]n2)cc1)c1ccc(N2CCCC2)c(Cl)c1 ZINC000952986795 1427619943 /nfs/dbraw/zinc/61/99/43/1427619943.db2.gz GKTNJCJMBHKPIS-UHFFFAOYSA-N -1 0 384.827 3.498 50 0 GGAARM CC(C)C[C@@H](NC(=O)CCn1ccc2ccc(Br)cc21)C(=O)[O-] ZINC000206213398 1433353576 /nfs/dbraw/zinc/35/35/76/1433353576.db2.gz PSMTZSNYYXCXJS-CQSZACIVSA-N -1 0 381.270 3.409 50 0 GGAARM CC(C)C[C@@H](NC(=O)CCn1ccc2cc(Br)ccc21)C(=O)[O-] ZINC000206212717 1433353613 /nfs/dbraw/zinc/35/36/13/1433353613.db2.gz NWRHGGNYKDKHEN-CQSZACIVSA-N -1 0 381.270 3.409 50 0 GGAARM CSCC[C@@H](NC(=O)CCn1ccc2c1cccc2Br)C(=O)[O-] ZINC000206411370 1433353772 /nfs/dbraw/zinc/35/37/72/1433353772.db2.gz PALYYKRTVVWMSO-CYBMUJFWSA-N -1 0 399.310 3.116 50 0 GGAARM COC(=O)C[C@H](c1ccccc1OCc1ccccn1)c1c([O-])cc(C)oc1=O ZINC000218038582 1433364690 /nfs/dbraw/zinc/36/46/90/1433364690.db2.gz VNNYUCTVRYWZJI-QGZVFWFLSA-N -1 0 395.411 3.323 50 0 biogenic GGAARM CC1(C)CC(=O)c2ccc3c(c2O1)[C@@H](c1ccccc1OCC(=O)[O-])CC(=O)O3 ZINC000217901671 1433364711 /nfs/dbraw/zinc/36/47/11/1433364711.db2.gz JIWCDDYBZASUCH-CQSZACIVSA-N -1 0 396.395 3.335 50 0 biogenic GGAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCc1c[nH]c2ccccc12 ZINC000004089066 956870051 /nfs/dbraw/zinc/87/00/51/956870051.db2.gz IAEZPMDWRDZQSV-FQEVSTJZSA-N -1 0 375.428 3.394 50 0 biogenic GGAARM COCCN(Cc1ccc(C)s1)C(=O)N[C@H](C(=O)[O-])c1cccc(C)c1 ZINC000426430651 231220838 /nfs/dbraw/zinc/22/08/38/231220838.db2.gz IIZKLBRMLMVGHY-KRWDZBQOSA-N -1 0 376.478 3.349 50 0 GGAARM O=C(NCc1n[nH]c(=O)[n-]1)c1cc(-c2ccc(Cl)cc2)nc2ccccc21 ZINC000426361937 231208807 /nfs/dbraw/zinc/20/88/07/231208807.db2.gz LGTCHSIPKVBIDW-UHFFFAOYSA-N -1 0 379.807 3.309 50 0 GGAARM O=C(NCc1n[nH]c(=O)[n-]1)c1cc(-c2ccccc2)nc2ccc(Cl)cc21 ZINC000426397312 231213799 /nfs/dbraw/zinc/21/37/99/231213799.db2.gz ARQDLXAQBKQONS-UHFFFAOYSA-N -1 0 379.807 3.309 50 0 GGAARM C[C@H](O)c1cccc(-c2cccc(C(=O)NC(C)(C)c3n[n-]c(=N)s3)c2)c1 ZINC000426512126 231232081 /nfs/dbraw/zinc/23/20/81/231232081.db2.gz LJVYOKGVQLFEQI-LBPRGKRZSA-N -1 0 382.489 3.336 50 0 GGAARM COc1cc(C(=O)[O-])cc(C(=O)N(Cc2ccsc2)C[C@H]2CCCO2)c1 ZINC000426511799 231232793 /nfs/dbraw/zinc/23/27/93/231232793.db2.gz SVKYNOSWYMFJQH-MRXNPFEDSA-N -1 0 375.446 3.276 50 0 GGAARM O=C([O-])c1ccccc1NC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000018247444 210217979 /nfs/dbraw/zinc/21/79/79/210217979.db2.gz XDMHCXLGYRKVNG-IYBDPMFKSA-N -1 0 390.395 3.093 50 0 GGAARM Cc1ccc(C)c(OCc2ccc(C(=O)[N-]N3C(=O)[C@H]4CCCC[C@@H]4C3=O)o2)c1 ZINC000018173578 210215193 /nfs/dbraw/zinc/21/51/93/210215193.db2.gz WLLLREPZDYEALI-IRXDYDNUSA-N -1 0 396.443 3.295 50 0 GGAARM O=S(=O)([N-]c1nc2ccccc2nc1NC[C@@H]1CCCO1)c1ccccc1 ZINC000017251913 210208614 /nfs/dbraw/zinc/20/86/14/210208614.db2.gz YKFHSAMRNRHZNL-AWEZNQCLSA-N -1 0 384.461 3.022 50 0 GGAARM CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cc(C)ccc3OC)cc21 ZINC000017247926 210208218 /nfs/dbraw/zinc/20/82/18/210208218.db2.gz YRKUJRLTRYXYFD-UHFFFAOYSA-N -1 0 388.489 3.494 50 0 GGAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NC[C@H]2CCCO2)cc1 ZINC000017208765 210208055 /nfs/dbraw/zinc/20/80/55/210208055.db2.gz JUEPKUHJQUGKCT-OAHLLOKOSA-N -1 0 398.488 3.330 50 0 GGAARM COCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cccc(C)c1 ZINC000017207972 210207989 /nfs/dbraw/zinc/20/79/89/210207989.db2.gz TYNJXTDUBRRECI-UHFFFAOYSA-N -1 0 386.477 3.187 50 0 GGAARM COC(=O)c1c(-c2ccc(OC)cc2OC)csc1NC(=O)CCC(=O)[O-] ZINC000017080345 210203908 /nfs/dbraw/zinc/20/39/08/210203908.db2.gz DJZFWCFFPSFDLM-UHFFFAOYSA-N -1 0 393.417 3.022 50 0 GGAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCCC2 ZINC000017079335 210203323 /nfs/dbraw/zinc/20/33/23/210203323.db2.gz QHWZZLAAZQPQBO-OLZOCXBDSA-N -1 0 388.489 3.125 50 0 GGAARM NC(=O)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000017079672 210203349 /nfs/dbraw/zinc/20/33/49/210203349.db2.gz UOTUSLWQGGSRGR-HBGGEXNNSA-N -1 0 390.505 3.191 50 0 GGAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)[C@@H](C(=O)[O-])C1 ZINC000017079699 210202944 /nfs/dbraw/zinc/20/29/44/210202944.db2.gz HWYRXKAWTRCOJC-IIMNLJJBSA-N -1 0 390.505 3.358 50 0 GGAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)Nc1sccc1C(=O)NC1CCCC1 ZINC000017079670 210202897 /nfs/dbraw/zinc/20/28/97/210202897.db2.gz UPASAQBCVPZHFN-TUHYSUIHSA-N -1 0 390.505 3.496 50 0 GGAARM O=C([O-])CCC(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCCC2 ZINC000017079640 210202619 /nfs/dbraw/zinc/20/26/19/210202619.db2.gz YPABCYNLKYVRSW-UHFFFAOYSA-N -1 0 390.461 3.343 50 0 GGAARM O=C([O-])CCCC(=O)Nc1sc2c(c1C(=O)NC1CCCCC1)CCC2 ZINC000017077423 210201589 /nfs/dbraw/zinc/20/15/89/210201589.db2.gz ZXVOPYDBDLOPFL-UHFFFAOYSA-N -1 0 378.494 3.493 50 0 GGAARM C[C@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CC1)CC[C@@H](C)C2 ZINC000017077428 210201608 /nfs/dbraw/zinc/20/16/08/210201608.db2.gz QBRSFWUEENTNLE-MNOVXSKESA-N -1 0 378.494 3.205 50 0 GGAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCC2 ZINC000017077424 210200774 /nfs/dbraw/zinc/20/07/74/210200774.db2.gz BYLVRGWMDKNGMM-LLVKDONJSA-N -1 0 378.494 3.349 50 0 GGAARM CN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccccc3Br)ccc21 ZINC000016916658 210198878 /nfs/dbraw/zinc/19/88/78/210198878.db2.gz ILBVCEZROONXJW-UHFFFAOYSA-N -1 0 395.278 3.159 50 0 GGAARM O=C1[C@H]2CCCC[C@@H]2C(=O)N1N=c1nc2c(c(C(F)(F)F)[n-]1)CCCCC2 ZINC000016275789 210186849 /nfs/dbraw/zinc/18/68/49/210186849.db2.gz AURZHSGPAXPGDR-QWRGUYRKSA-N -1 0 382.386 3.266 50 0 GGAARM CC(C)C(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)N(CCC(=O)[O-])C3=O)cc1 ZINC000013843379 210094426 /nfs/dbraw/zinc/09/44/26/210094426.db2.gz MELWZCCFHABXQS-UHFFFAOYSA-N -1 0 396.399 3.144 50 0 GGAARM C[C@H](CCc1ccco1)NC(=O)c1ccc2nc([N-]S(C)(=O)=O)sc2c1 ZINC000013731028 210086335 /nfs/dbraw/zinc/08/63/35/210086335.db2.gz REKQQIDJWQIXMA-LLVKDONJSA-N -1 0 393.490 3.012 50 0 GGAARM CC1(C)Cc2c(sc3nc(=O)n4nc(COc5ccccc5)[n-]c4c23)CO1 ZINC000013569946 210068860 /nfs/dbraw/zinc/06/88/60/210068860.db2.gz DGVGWNATXKSFAL-UHFFFAOYSA-N -1 0 382.445 3.063 50 0 GGAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000013320937 210057796 /nfs/dbraw/zinc/05/77/96/210057796.db2.gz QKJIRAHGDSYUCQ-KGLIPLIRSA-N -1 0 383.275 3.309 50 0 GGAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000013320395 210057575 /nfs/dbraw/zinc/05/75/75/210057575.db2.gz HKOBFZHYQZVGBZ-NRERDWFFSA-N -1 0 384.476 3.388 50 0 GGAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000013320934 210056647 /nfs/dbraw/zinc/05/66/47/210056647.db2.gz QKJIRAHGDSYUCQ-KBPBESRZSA-N -1 0 383.275 3.309 50 0 GGAARM Cn1c(SCC(=O)Nc2cccc(C(=O)[O-])c2)nnc1-c1ccccc1F ZINC000013346394 210059908 /nfs/dbraw/zinc/05/99/08/210059908.db2.gz RWAUAQWJGOMCGC-UHFFFAOYSA-N -1 0 386.408 3.050 50 0 GGAARM COc1ccc(NC(=O)CSc2nc(=O)c3sccc3[n-]2)c(OC)c1 ZINC000012986818 210042401 /nfs/dbraw/zinc/04/24/01/210042401.db2.gz MHLXJOBWAHEFMG-UHFFFAOYSA-N -1 0 377.447 3.145 50 0 GGAARM C/C(=C/C(=O)Nc1ccc(S[C@H](C)C(=O)Nc2nccs2)cc1)C(=O)[O-] ZINC000037018959 209989834 /nfs/dbraw/zinc/98/98/34/209989834.db2.gz LWZRHOPKWVJDPJ-DWOQACPDSA-N -1 0 391.474 3.232 50 0 GGAARM O=C([O-])c1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)cc1 ZINC000012632096 209989422 /nfs/dbraw/zinc/98/94/22/209989422.db2.gz GKOJNFFVPXCUTM-ROUUACIJSA-N -1 0 390.395 3.093 50 0 GGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)c1 ZINC000008715838 209794968 /nfs/dbraw/zinc/79/49/68/209794968.db2.gz NAINNRLTTMMLSD-UHFFFAOYSA-N -1 0 398.440 3.248 50 0 GGAARM CC(C)OC(=O)c1cc(NC(=O)CCCC(=O)[O-])cc(C(=O)OC(C)C)c1 ZINC000005834108 209616400 /nfs/dbraw/zinc/61/64/00/209616400.db2.gz DFKXJMFTJYZUOU-UHFFFAOYSA-N -1 0 379.409 3.010 50 0 GGAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(C(N)=O)c1-c1ccccc1 ZINC000004892005 209540423 /nfs/dbraw/zinc/54/04/23/209540423.db2.gz KYOOXYDEMYCELY-ZIAGYGMSSA-N -1 0 384.457 3.428 50 0 GGAARM COc1cc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c(C(=O)[O-])cc1OC ZINC000004828498 209531564 /nfs/dbraw/zinc/53/15/64/209531564.db2.gz PDKUGNWWPLIKOR-SNVBAGLBSA-N -1 0 379.796 3.461 50 0 GGAARM C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1cnn(CCCC(=O)[O-])c1 ZINC000004697931 209514028 /nfs/dbraw/zinc/51/40/28/209514028.db2.gz MITUJBONWBTJHY-JTQLQIEISA-N -1 0 386.235 3.461 50 0 GGAARM CCCOc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000004698567 209513290 /nfs/dbraw/zinc/51/32/90/209513290.db2.gz IRHZEFYWQJZNST-KRWDZBQOSA-N -1 0 381.425 3.109 50 0 GGAARM COC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccc(OC)cc1)CCCC2 ZINC000004677600 209510035 /nfs/dbraw/zinc/51/00/35/209510035.db2.gz XEIIUYUCJIXJNJ-UHFFFAOYSA-N -1 0 381.475 3.223 50 0 GGAARM CCOc1ccc(CCNC(=O)[C@@H]2CC(C)=CC[C@@H]2C(=O)[O-])cc1OCC ZINC000004601058 209503373 /nfs/dbraw/zinc/50/33/73/209503373.db2.gz JLDZZDJAVLQKOA-DLBZAZTESA-N -1 0 375.465 3.200 50 0 GGAARM Cc1oc2cc3oc(=O)c(CC(=O)N4CCC[C@H]4C(=O)[O-])c(C)c3cc2c1C ZINC000004062290 209461377 /nfs/dbraw/zinc/46/13/77/209461377.db2.gz NITDUPUIOBPNPJ-INIZCTEOSA-N -1 0 383.400 3.083 50 0 biogenic GGAARM Cc1ccc(C)c(N2C(=O)c3cccc4c(N)c(S(=O)(=O)[O-])cc(c43)C2=O)c1 ZINC000003045308 209408787 /nfs/dbraw/zinc/40/87/87/209408787.db2.gz SOAZCKCESFSJIE-UHFFFAOYSA-N -1 0 396.424 3.086 50 0 GGAARM C[C@H](Cn1cc(Br)cn1)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000002794736 209385544 /nfs/dbraw/zinc/38/55/44/209385544.db2.gz MIUMRDKIJYXPMR-MRVPVSSYSA-N -1 0 386.633 3.272 50 0 GGAARM Cc1nn(C[C@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2)c(C)c1Br ZINC000002795378 209385315 /nfs/dbraw/zinc/38/53/15/209385315.db2.gz VMTSVXQHCNLSTR-VIFPVBQESA-N -1 0 380.242 3.235 50 0 GGAARM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1 ZINC000002905828 209397081 /nfs/dbraw/zinc/39/70/81/209397081.db2.gz XZJRZVQYGHGEML-UHFFFAOYSA-N -1 0 387.417 3.045 50 0 GGAARM O=S(=O)([N-]NC(=S)Nc1cccc(Cl)c1Cl)c1ccc(F)cc1 ZINC000002852864 209391823 /nfs/dbraw/zinc/39/18/23/209391823.db2.gz YXCNEBXPNLKTRL-UHFFFAOYSA-N -1 0 394.280 3.312 50 0 GGAARM Cc1cc(I)ccc1[N-]S(=O)(=O)c1cccs1 ZINC000002851130 209391334 /nfs/dbraw/zinc/39/13/34/209391334.db2.gz INLUJOGJNZVLMN-UHFFFAOYSA-N -1 0 379.244 3.462 50 0 GGAARM CCn1cc(S(=O)(=O)[N-]c2cnn(Cc3cccc4ccccc43)c2)cn1 ZINC000002804105 209388495 /nfs/dbraw/zinc/38/84/95/209388495.db2.gz CPWLQNQADSARFP-UHFFFAOYSA-N -1 0 381.461 3.102 50 0 GGAARM Cc1nn(C(F)F)c(C)c1S(=O)(=O)[N-]c1cnn(Cc2ccccc2F)c1 ZINC000002804637 209388680 /nfs/dbraw/zinc/38/86/80/209388680.db2.gz TXDXKFMOUNPJDF-UHFFFAOYSA-N -1 0 399.398 3.080 50 0 GGAARM CCc1ccc(OCn2cc([N-]S(=O)(=O)c3ccc(F)cc3)cn2)cc1 ZINC000002804656 209387634 /nfs/dbraw/zinc/38/76/34/209387634.db2.gz NZVXDUJJDDXFBV-UHFFFAOYSA-N -1 0 375.425 3.422 50 0 GGAARM COc1ccc(-c2cnn(C)c2NC(=O)c2ccccc2C(=O)[O-])cc1OC ZINC000002510538 209368578 /nfs/dbraw/zinc/36/85/78/209368578.db2.gz AVMRHYSCDIGTQJ-UHFFFAOYSA-N -1 0 381.388 3.055 50 0 GGAARM Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1ccn(C)n1)CC[C@H](C(C)(C)C)C3 ZINC000002778508 209383215 /nfs/dbraw/zinc/38/32/15/209383215.db2.gz DUDQPUMFIHEZRY-LBPRGKRZSA-N -1 0 399.520 3.035 50 0 GGAARM CC(C)c1nnc(NC(=O)C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc2)s1 ZINC000002751041 209382847 /nfs/dbraw/zinc/38/28/47/209382847.db2.gz WLSOALHKVQCBFQ-NSHDSACASA-N -1 0 386.399 3.410 50 0 GGAARM NC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CCCCCC2 ZINC000002763978 209382132 /nfs/dbraw/zinc/38/21/32/209382132.db2.gz VHMOGCXEKBECKN-NEPJUHHUSA-N -1 0 378.494 3.336 50 0 GGAARM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)o1 ZINC000002737380 209380996 /nfs/dbraw/zinc/38/09/96/209380996.db2.gz GTUIRHXSNYGQST-UHFFFAOYSA-N -1 0 386.433 3.048 50 0 GGAARM Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)c1 ZINC000002709299 209377914 /nfs/dbraw/zinc/37/79/14/209377914.db2.gz RSHUIQFZVYSPFK-UHFFFAOYSA-N -1 0 382.445 3.147 50 0 GGAARM COCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000002408888 209362607 /nfs/dbraw/zinc/36/26/07/209362607.db2.gz WUCNYSBFFCEBPV-UHFFFAOYSA-N -1 0 386.477 3.106 50 0 GGAARM CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)c1ccccc1C(=O)[O-] ZINC000002374201 209360509 /nfs/dbraw/zinc/36/05/09/209360509.db2.gz DDKXEQUBPVQPLV-UHFFFAOYSA-N -1 0 382.372 3.304 50 0 GGAARM COc1cc([N-]S(=O)(=O)c2c(C)nn(C)c2Cl)cc(C(F)(F)F)c1 ZINC000002151907 209348459 /nfs/dbraw/zinc/34/84/59/209348459.db2.gz XCYRTFBAOZOARX-UHFFFAOYSA-N -1 0 383.779 3.210 50 0 GGAARM CCOC(=O)[C@]1(C)C=C(Nc2cccc(C(=O)[O-])c2)C(=O)N1c1ccccc1 ZINC000002342225 209357783 /nfs/dbraw/zinc/35/77/83/209357783.db2.gz KIFNHVWJZBJDNX-NRFANRHFSA-N -1 0 380.400 3.049 50 0 GGAARM CCOC(=O)[C@@]1(C)C=C(Nc2cccc(C(=O)[O-])c2)C(=O)N1c1ccccc1 ZINC000002342223 209357415 /nfs/dbraw/zinc/35/74/15/209357415.db2.gz KIFNHVWJZBJDNX-OAQYLSRUSA-N -1 0 380.400 3.049 50 0 GGAARM O=C(Nc1ccc(Br)cc1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000002319892 209356085 /nfs/dbraw/zinc/35/60/85/209356085.db2.gz MTMOWYGQAXRHAR-UHFFFAOYSA-N -1 0 385.217 3.278 50 0 GGAARM CCCOc1cccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2OC)c1 ZINC000002223563 209351171 /nfs/dbraw/zinc/35/11/71/209351171.db2.gz LPBOTUODWIAPBB-UHFFFAOYSA-N -1 0 388.445 3.309 50 0 GGAARM Cc1oc2cc3oc(=O)c(CCC(=O)N4CCC[C@@H]4C(=O)[O-])c(C)c3cc2c1C ZINC000002154489 209348108 /nfs/dbraw/zinc/34/81/08/209348108.db2.gz UYXRPVYJRIEHMN-QGZVFWFLSA-N -1 0 397.427 3.473 50 0 GGAARM COc1cc2oc(=O)c(CC(=O)NCCCCCC(=O)[O-])c(C)c2cc1Cl ZINC000002120976 209347496 /nfs/dbraw/zinc/34/74/96/209347496.db2.gz VXMBDOPQAJZXDG-UHFFFAOYSA-N -1 0 395.839 3.067 50 0 biogenic GGAARM CC[C@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)[O-] ZINC000002102200 209347393 /nfs/dbraw/zinc/34/73/93/209347393.db2.gz LJUQQAQFWQGEAX-INIZCTEOSA-N -1 0 397.427 3.248 50 0 biogenic GGAARM CCCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])c12 ZINC000002119501 209346960 /nfs/dbraw/zinc/34/69/60/209346960.db2.gz WKEPWXJHRRAXSQ-HNNXBMFYSA-N -1 0 389.448 3.048 50 0 biogenic GGAARM CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCCCC(=O)[O-])ccc12 ZINC000002100406 209346648 /nfs/dbraw/zinc/34/66/48/209346648.db2.gz YTYMUJNMYCTKTN-CQSZACIVSA-N -1 0 389.448 3.192 50 0 biogenic GGAARM CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc12 ZINC000002095910 209345993 /nfs/dbraw/zinc/34/59/93/209345993.db2.gz VREHEELJZXHYGF-BBRMVZONSA-N -1 0 389.448 3.047 50 0 biogenic GGAARM CCC[C@@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)[O-] ZINC000002098796 209345826 /nfs/dbraw/zinc/34/58/26/209345826.db2.gz IQNFKLXOJMZJNC-MRXNPFEDSA-N -1 0 385.416 3.376 50 0 biogenic GGAARM CCCCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000001770717 209339170 /nfs/dbraw/zinc/33/91/70/209339170.db2.gz BYJRJNSXUPWIBM-UHFFFAOYSA-N -1 0 378.454 3.243 50 0 GGAARM COc1ccc([C@H](CC(=O)[O-])c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000001704044 209337670 /nfs/dbraw/zinc/33/76/70/209337670.db2.gz GUSXBPIONWQUKJ-AWEZNQCLSA-N -1 0 376.405 3.336 50 0 GGAARM O=C(O[C@H]1C[C@H]([N-]C(=O)C(F)(F)F)c2cc3c(cc21)OCO3)c1cccs1 ZINC000001399356 209326635 /nfs/dbraw/zinc/32/66/35/209326635.db2.gz LFDFBEIBQHLALV-QWRGUYRKSA-N -1 0 399.346 3.498 50 0 GGAARM Cc1ccc(-n2ncc3c2ncn([N-]C(=O)c2cc4ccccc4o2)c3=O)cc1C ZINC000010252174 209324307 /nfs/dbraw/zinc/32/43/07/209324307.db2.gz LDMDJTOLNUCUPC-UHFFFAOYSA-N -1 0 399.410 3.329 50 0 GGAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)NC1CCCCCC1 ZINC000009828685 209318884 /nfs/dbraw/zinc/31/88/84/209318884.db2.gz ZYYIEIGQOFCFFR-UHFFFAOYSA-N -1 0 393.534 3.325 50 0 GGAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(=O)NC3CCCCC3)cs2)cc1 ZINC000009828563 209319031 /nfs/dbraw/zinc/31/90/31/209319031.db2.gz SEOUDDZSEBAREC-UHFFFAOYSA-N -1 0 393.534 3.244 50 0 GGAARM O=C1c2ccccc2N[C@H](c2ccccc2)N1[N-]S(=O)(=O)c1ccccc1 ZINC000001441626 209328388 /nfs/dbraw/zinc/32/83/88/209328388.db2.gz ZTQWHZCHQRNPHY-IBGZPJMESA-N -1 0 379.441 3.147 50 0 GGAARM O=C1c2ccccc2N[C@@H](c2ccccc2F)N1[N-]S(=O)(=O)c1ccccc1 ZINC000001441629 209327823 /nfs/dbraw/zinc/32/78/23/209327823.db2.gz LMGHOLPHLFEJFE-LJQANCHMSA-N -1 0 397.431 3.286 50 0 GGAARM O=C([O-])c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1N1CCCCC1 ZINC000001203890 209313383 /nfs/dbraw/zinc/31/33/83/209313383.db2.gz WQCWBJPOCCQJEH-UHFFFAOYSA-N -1 0 386.901 3.203 50 0 GGAARM COc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1OC ZINC000001160181 209309013 /nfs/dbraw/zinc/30/90/13/209309013.db2.gz WURJFJUDQMNXLA-UHFFFAOYSA-N -1 0 394.836 3.182 50 0 GGAARM COc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000001166022 209309135 /nfs/dbraw/zinc/30/91/35/209309135.db2.gz SIRJMONMJAOSTJ-VGOFMYFVSA-N -1 0 376.771 3.247 50 0 GGAARM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(C)c(Cl)c1 ZINC000001159497 209308789 /nfs/dbraw/zinc/30/87/89/209308789.db2.gz JMPNMMYKHLJKKL-UHFFFAOYSA-N -1 0 378.837 3.482 50 0 GGAARM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000001154498 209307797 /nfs/dbraw/zinc/30/77/97/209307797.db2.gz KFDRRUWYXVIMBX-UHFFFAOYSA-N -1 0 386.385 3.031 50 0 GGAARM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)cc1 ZINC000001148059 209307013 /nfs/dbraw/zinc/30/70/13/209307013.db2.gz GNJDYNFJVVZHMJ-UHFFFAOYSA-N -1 0 399.852 3.091 50 0 GGAARM COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000001115893 209302356 /nfs/dbraw/zinc/30/23/56/209302356.db2.gz NSWBTZAKTGJJJK-UHFFFAOYSA-N -1 0 383.429 3.143 50 0 GGAARM CCC1C(=O)N=C(SCC(=O)N(c2ccccc2)c2ccccc2)N=C1[O-] ZINC000001118987 209303152 /nfs/dbraw/zinc/30/31/52/209303152.db2.gz WCILQZMVYSNMRN-UHFFFAOYSA-N -1 0 381.457 3.495 50 0 GGAARM Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1C ZINC000001119225 209302063 /nfs/dbraw/zinc/30/20/63/209302063.db2.gz PMYFFALRUZSZPL-UHFFFAOYSA-N -1 0 382.445 3.220 50 0 GGAARM CC(C)CCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1 ZINC000001082468 209298722 /nfs/dbraw/zinc/29/87/22/209298722.db2.gz WYGORBHDYPSVMO-UHFFFAOYSA-N -1 0 381.384 3.388 50 0 GGAARM CC(C)CCN1C(=O)c2ccc(C(=O)Nc3ccc(CC(=O)[O-])cc3)cc2C1=O ZINC000001075309 209296545 /nfs/dbraw/zinc/29/65/45/209296545.db2.gz JYDMJIUBLGIPNT-UHFFFAOYSA-N -1 0 394.427 3.208 50 0 GGAARM CSc1nc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)COC4=O)cc2s1 ZINC000001060024 209295195 /nfs/dbraw/zinc/29/51/95/209295195.db2.gz QWKNFBYBTCUALA-UHFFFAOYSA-N -1 0 392.483 3.489 50 0 GGAARM O=C1[N-]C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(F)cc2)N1 ZINC000001053387 209293482 /nfs/dbraw/zinc/29/34/82/209293482.db2.gz GPMXZFHISUXIRH-RIYZIHGNSA-N -1 0 391.196 3.348 50 0 GGAARM CC(C)(CC(=O)[O-])CC(=O)N1CCN(c2nc3cc(Cl)ccc3s2)CC1 ZINC000001031039 209290632 /nfs/dbraw/zinc/29/06/32/209290632.db2.gz XJTVKIXBNJVCQN-UHFFFAOYSA-N -1 0 395.912 3.489 50 0 GGAARM O=C([O-])CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 ZINC000000993360 209287861 /nfs/dbraw/zinc/28/78/61/209287861.db2.gz ZERWOUNRNBZMSG-UHFFFAOYSA-N -1 0 389.791 3.183 50 0 GGAARM CC(=O)[N-]S(=O)(=O)c1cnccc1Sc1cccc(C(F)(F)F)c1 ZINC000000987887 209286600 /nfs/dbraw/zinc/28/66/00/209286600.db2.gz GNWSYZVTRIXEGP-UHFFFAOYSA-N -1 0 376.381 3.076 50 0 GGAARM Cc1ccc(Sc2ccncc2S(=O)(=O)[N-]C(=O)NC(C)(C)C)cc1 ZINC000000987888 209285649 /nfs/dbraw/zinc/28/56/49/209285649.db2.gz XXFAPPULBKNJOO-UHFFFAOYSA-N -1 0 379.507 3.328 50 0 GGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)no1 ZINC000000945077 209282212 /nfs/dbraw/zinc/28/22/12/209282212.db2.gz ICRVFYURSOLOAI-UHFFFAOYSA-N -1 0 375.381 3.175 50 0 GGAARM O=C([O-])CN1C(=O)c2cccc3c2c1c(Br)cc3Br ZINC000000939866 209280809 /nfs/dbraw/zinc/28/08/09/209280809.db2.gz JIOHBVYJPBAOKF-UHFFFAOYSA-N -1 0 385.011 3.410 50 0 GGAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc1 ZINC000000940633 209280390 /nfs/dbraw/zinc/28/03/90/209280390.db2.gz DKHUPTVWPWJNOH-UHFFFAOYSA-N -1 0 396.424 3.383 50 0 GGAARM CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccccc1 ZINC000000917472 209279529 /nfs/dbraw/zinc/27/95/29/209279529.db2.gz SPAVQOZORXRNAP-GOSISDBHSA-N -1 0 396.472 3.410 50 0 GGAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 ZINC000000898185 209277370 /nfs/dbraw/zinc/27/73/70/209277370.db2.gz BRIHYYQXPXUVNC-UHFFFAOYSA-N -1 0 387.244 3.071 50 0 GGAARM COc1ccc2nc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)sc2c1 ZINC000000892695 209277783 /nfs/dbraw/zinc/27/77/83/209277783.db2.gz HCNNOCKFPVJTGT-UHFFFAOYSA-N -1 0 377.447 3.064 50 0 GGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)no1 ZINC000000839075 209271014 /nfs/dbraw/zinc/27/10/14/209271014.db2.gz RQUZPQSJKAUTFF-KPKJPENVSA-N -1 0 383.429 3.436 50 0 GGAARM O=C([O-])CCC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1 ZINC000000831471 209270239 /nfs/dbraw/zinc/27/02/39/209270239.db2.gz VQUZAZZFWIUWMG-UHFFFAOYSA-N -1 0 376.206 3.483 50 0 GGAARM O=C([O-])COc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1 ZINC000000814742 209268640 /nfs/dbraw/zinc/26/86/40/209268640.db2.gz WNKXNLNUMZRORE-UHFFFAOYSA-N -1 0 380.356 3.248 50 0 GGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccccc1Cl ZINC000000800949 209266917 /nfs/dbraw/zinc/26/69/17/209266917.db2.gz IBZCORCVLVIEFC-UHFFFAOYSA-N -1 0 388.836 3.183 50 0 GGAARM O=C([O-])c1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)cc1 ZINC000000754860 209264082 /nfs/dbraw/zinc/26/40/82/209264082.db2.gz OAYXEAJWZVUKQG-UHFFFAOYSA-N -1 0 396.424 3.438 50 0 GGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)n1 ZINC000000652119 209254936 /nfs/dbraw/zinc/25/49/36/209254936.db2.gz WUEDPDZKOLWRRN-UHFFFAOYSA-N -1 0 388.474 3.208 50 0 GGAARM O=C(Nc1ccccc1)C(=C([O-])c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000000640414 209253980 /nfs/dbraw/zinc/25/39/80/209253980.db2.gz WQOXKJJLPYRVQN-HXUWFJFHSA-N -1 0 379.437 3.351 50 0 GGAARM CN1c2cc([N-]S(=O)(=O)c3ccccc3F)ccc2OCC(C)(C)C1=O ZINC000009169820 209250824 /nfs/dbraw/zinc/25/08/24/209250824.db2.gz MPRQYAQCGBNGAT-UHFFFAOYSA-N -1 0 378.425 3.008 50 0 GGAARM CN1c2cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc2OCC(C)(C)C1=O ZINC000009170042 209249566 /nfs/dbraw/zinc/24/95/66/209249566.db2.gz FNUKKWQKVIQQFV-UHFFFAOYSA-N -1 0 396.415 3.147 50 0 GGAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)NC(=O)C(C)(C)CO2 ZINC000009173419 209249726 /nfs/dbraw/zinc/24/97/26/209249726.db2.gz AGTFOXBZNMOKEK-UHFFFAOYSA-N -1 0 390.461 3.162 50 0 GGAARM CC1(C)COc2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc2NC1=O ZINC000009168663 209248679 /nfs/dbraw/zinc/24/86/79/209248679.db2.gz DOHLWZAYIBPKCM-UHFFFAOYSA-N -1 0 380.853 3.498 50 0 GGAARM CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCCCCCC(=O)[O-])c12 ZINC000004029941 209231310 /nfs/dbraw/zinc/23/13/10/209231310.db2.gz IWOZUBVJLZJOCY-UHFFFAOYSA-N -1 0 389.448 3.194 50 0 biogenic GGAARM CCC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)[O-] ZINC000002104220 209228964 /nfs/dbraw/zinc/22/89/64/209228964.db2.gz BQELEOPOQYXWBX-MRXNPFEDSA-N -1 0 385.416 3.458 50 0 biogenic GGAARM CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)NCCCCCC(=O)[O-])ccc12 ZINC000002137340 209229028 /nfs/dbraw/zinc/22/90/28/209229028.db2.gz GPOSOKOHUKCGOL-CQSZACIVSA-N -1 0 389.448 3.274 50 0 biogenic GGAARM CCCn1c2ccccc2c([O-])c(C(=O)Nc2cc([N+](C)=O)ccc2[O-])c1=O ZINC000299738357 209226644 /nfs/dbraw/zinc/22/66/44/209226644.db2.gz ZNDGUUOTJNLYTM-UHFFFAOYSA-O -1 0 382.396 3.115 50 0 GGAARM O=C(Cn1ccc2c1cccc2Br)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238901385 209212916 /nfs/dbraw/zinc/21/29/16/209212916.db2.gz LUBGKHNSUNGGAD-JOCQHMNTSA-N -1 0 393.281 3.411 50 0 GGAARM Cc1nc2sc([C@H](c3ccc(F)c(F)c3)N3C[C@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000227779784 209186715 /nfs/dbraw/zinc/18/67/15/209186715.db2.gz KBGHXNMBHPWURM-YHAQOWFVSA-N -1 0 394.447 3.282 50 0 GGAARM COC(=O)C[C@@H](c1coc2ccc(Cl)cc2c1=O)c1c([O-])cc(C)oc1=O ZINC000217991216 209185637 /nfs/dbraw/zinc/18/56/37/209185637.db2.gz COBPMAGIGGWOOI-NSHDSACASA-N -1 0 390.775 3.109 50 0 biogenic GGAARM CCCOC(=O)c1c([N-]S(=O)(=O)c2cn(C)nc2C)sc2c1CCCC2 ZINC000002804219 212062893 /nfs/dbraw/zinc/06/28/93/212062893.db2.gz ZOINITIDASGCKW-UHFFFAOYSA-N -1 0 397.522 3.036 50 0 GGAARM Cc1nonc1CN(C)Cc1cc(-c2ccc(F)cc2)ccc1OCC(=O)[O-] ZINC000299775353 212034955 /nfs/dbraw/zinc/03/49/55/212034955.db2.gz DSPALRXMMMWITQ-UHFFFAOYSA-N -1 0 385.395 3.280 50 0 GGAARM CCc1nc2sc([C@@H](c3ccc(F)cc3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000022854359 211781568 /nfs/dbraw/zinc/78/15/68/211781568.db2.gz CLGVVCAPRHWFPN-BFQNTYOBSA-N -1 0 390.484 3.397 50 0 GGAARM O=C([O-])[C@@H](Cc1ccc(O)cc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000014113250 211704804 /nfs/dbraw/zinc/70/48/04/211704804.db2.gz HFUFDNHIPXIWPH-HXUWFJFHSA-N -1 0 375.424 3.336 50 0 GGAARM Cc1coc2cc3oc(=O)c(CCC(=O)N4CCC[C@H](C(=O)[O-])C4)c(C)c3cc12 ZINC000012892103 211690900 /nfs/dbraw/zinc/69/09/00/211690900.db2.gz STVITWUSWOLPAB-AWEZNQCLSA-N -1 0 397.427 3.412 50 0 biogenic GGAARM CCCn1c2ccccc2c([O-])c(C(=O)NCc2ccc(OC)c(OC)c2)c1=O ZINC000100621148 211606297 /nfs/dbraw/zinc/60/62/97/211606297.db2.gz UEFBBMRZSJITOF-UHFFFAOYSA-N -1 0 396.443 3.064 50 0 GGAARM O=C(Nc1nccs1)c1c([O-])c2ccccc2n(Cc2ccccc2)c1=O ZINC000100630012 211607776 /nfs/dbraw/zinc/60/77/76/211607776.db2.gz VISVQJMGTTXFOX-UHFFFAOYSA-N -1 0 377.425 3.464 50 0 GGAARM O=C([O-])/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Br ZINC000004823398 211549658 /nfs/dbraw/zinc/54/96/58/211549658.db2.gz KARCWJIHYZRGEU-NTUHNPAUSA-N -1 0 390.189 3.033 50 0 GGAARM Cc1oc2cc3oc(=O)c(CC(=O)N4CCC(C(=O)[O-])CC4)c(C)c3cc2c1C ZINC000002097951 211513407 /nfs/dbraw/zinc/51/34/07/211513407.db2.gz NINYXPKLAIPKPV-UHFFFAOYSA-N -1 0 397.427 3.330 50 0 biogenic GGAARM O=C(Cc1csc([N-]c2ncccn2)n1)Nc1nc(-c2cccnc2)cs1 ZINC000049029370 211458348 /nfs/dbraw/zinc/45/83/48/211458348.db2.gz UPPJYTQIAHVDAO-UHFFFAOYSA-N -1 0 395.473 3.376 50 0 GGAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cc(C)ccc4C)c=3c2=O)cc1Cl ZINC000101417896 211401018 /nfs/dbraw/zinc/40/10/18/211401018.db2.gz HKJXTJIJQMMCNG-QZTJIDSGSA-N -1 0 398.850 3.459 50 0 GGAARM O=c1c2[n-][nH]n(Cc3ccccc3Cl)c=2c(=O)n1-c1ccc(Cl)cc1 ZINC000101271884 211397282 /nfs/dbraw/zinc/39/72/82/211397282.db2.gz ZBCKAZLUKVNXJG-GJZGRUSLSA-N -1 0 375.215 3.487 50 0 GGAARM O=c1c2[n-][nH]n(Cc3cccc(C(F)(F)F)c3)c=2c(=O)n1-c1ccc(F)cc1 ZINC000101167246 211396678 /nfs/dbraw/zinc/39/66/78/211396678.db2.gz UJWQBMHPPCCLGU-GJZGRUSLSA-N -1 0 392.312 3.338 50 0 GGAARM O=c1c2[n-][nH]n(Cc3cccc(C(F)(F)F)c3)c=2c(=O)n1-c1ccc(F)cc1 ZINC000101167244 211395936 /nfs/dbraw/zinc/39/59/36/211395936.db2.gz UJWQBMHPPCCLGU-LSDHHAIUSA-N -1 0 392.312 3.338 50 0 GGAARM Cc1[n-]n(-c2nc(C)c(Cc3ccccc3)c(=O)[nH]2)c(=O)c1Cc1ccccc1 ZINC000100925531 211393793 /nfs/dbraw/zinc/39/37/93/211393793.db2.gz IWFIZCPINGFINF-UHFFFAOYSA-N -1 0 386.455 3.047 50 0 GGAARM CC(=O)N1CCc2ccccc2[C@H]1c1c(=O)[n-]c(=S)n(-c2ccccc2)c1O ZINC000100930771 211393510 /nfs/dbraw/zinc/39/35/10/211393510.db2.gz AMISPSLVYTTXRB-SFHVURJKSA-N -1 0 393.468 3.095 50 0 GGAARM Cc1ccc(C)c(OCc2ccc(C(=O)[N-]N3C(=O)[C@@H]4CCCC[C@H]4C3=O)o2)c1 ZINC000100840627 211392109 /nfs/dbraw/zinc/39/21/09/211392109.db2.gz WLLLREPZDYEALI-IAGOWNOFSA-N -1 0 396.443 3.295 50 0 GGAARM CCOC(=O)c1ccc(NC(=O)c2c([O-])c3ccccc3n(CC)c2=O)cc1 ZINC000100534685 211388500 /nfs/dbraw/zinc/38/85/00/211388500.db2.gz RPBJLUCQIHWDPH-UHFFFAOYSA-N -1 0 380.400 3.156 50 0 GGAARM COc1ccc(-c2c(C)[n-]n3c2nc(CSc2nnc(C)s2)cc3=O)cc1 ZINC000100071907 211382698 /nfs/dbraw/zinc/38/26/98/211382698.db2.gz ZUZGCRIGDDUEFD-UHFFFAOYSA-N -1 0 399.501 3.459 50 0 GGAARM O=C(NC[C@H](c1cccnc1)N1CCCCC1)c1cc(=O)c2cccc(F)c2[n-]1 ZINC000097528850 211367422 /nfs/dbraw/zinc/36/74/22/211367422.db2.gz ZGWVNSPDDLLSSE-LJQANCHMSA-N -1 0 394.450 3.019 50 0 GGAARM O=C(NC[C@@H](c1cccnc1)N1CCCCC1)c1cc(=O)c2cccc(F)c2[n-]1 ZINC000097528849 211366517 /nfs/dbraw/zinc/36/65/17/211366517.db2.gz ZGWVNSPDDLLSSE-IBGZPJMESA-N -1 0 394.450 3.019 50 0 GGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000096171178 211316158 /nfs/dbraw/zinc/31/61/58/211316158.db2.gz WQSRITYEPZUVCE-UHFFFAOYSA-N -1 0 390.230 3.406 50 0 GGAARM Cc1ccc(SCc2ccc(C(=O)N3Cc4nc[nH]c4C[C@@H]3C(=O)[O-])o2)cc1 ZINC000096166386 211315936 /nfs/dbraw/zinc/31/59/36/211315936.db2.gz HNYWOCBSQMDQRP-QGZVFWFLSA-N -1 0 397.456 3.255 50 0 GGAARM O=C([O-])[C@@]12CN(C(=O)c3cccc(Cl)c3F)C[C@@H]1c1ccccc1OC2 ZINC000096161841 211313464 /nfs/dbraw/zinc/31/34/64/211313464.db2.gz YLZNOEIQPBWRTN-BFUOFWGJSA-N -1 0 375.783 3.182 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)c2ccc3nc(C)c(C)nc3c2)sc1CC(C)C ZINC000095477751 211249081 /nfs/dbraw/zinc/24/90/81/211249081.db2.gz BZRMNHXCBGNMAT-UHFFFAOYSA-N -1 0 398.488 3.362 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)c2n[nH]c3ccccc32)sc1-c1cccc(F)c1 ZINC000095479937 211248642 /nfs/dbraw/zinc/24/86/42/211248642.db2.gz FHRRWDXTKRGIIJ-UHFFFAOYSA-N -1 0 396.403 3.286 50 0 GGAARM Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095358626 211224253 /nfs/dbraw/zinc/22/42/53/211224253.db2.gz IRWWQXUGWGNYKB-GOSISDBHSA-N -1 0 392.459 3.373 50 0 GGAARM CCn1c(C)cc(C)c(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)c1=O ZINC000095359214 211223945 /nfs/dbraw/zinc/22/39/45/211223945.db2.gz KNVIXRKYCWVPJZ-SFHVURJKSA-N -1 0 382.460 3.203 50 0 GGAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3ccccc3-c3nc[nH]n3)C2)c1 ZINC000095352853 211221816 /nfs/dbraw/zinc/22/18/16/211221816.db2.gz PBFGCZRHACWNLZ-INIZCTEOSA-N -1 0 376.416 3.190 50 0 GGAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)CCc3ccc4c(c3)OCO4)C2)c1 ZINC000095382008 211232994 /nfs/dbraw/zinc/23/29/94/211232994.db2.gz IHMBUZNAQYQDJU-GOSISDBHSA-N -1 0 381.428 3.452 50 0 GGAARM CCc1nc(C)ccc1OCC(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095379268 211231192 /nfs/dbraw/zinc/23/11/92/211231192.db2.gz FONHNKRIEFXQLX-GOSISDBHSA-N -1 0 382.460 3.436 50 0 GGAARM CC(=O)c1c(C)nn(CCC(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)c1C ZINC000095368226 211227770 /nfs/dbraw/zinc/22/77/70/211227770.db2.gz MYSGWWXFYWUXQX-IBGZPJMESA-N -1 0 397.475 3.197 50 0 GGAARM COc1ccc(CC(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)c(OC)c1 ZINC000095362127 211225803 /nfs/dbraw/zinc/22/58/03/211225803.db2.gz WSGKONLENWTDPM-GOSISDBHSA-N -1 0 383.444 3.351 50 0 GGAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)Cn3ccc(=O)c4ccccc43)C2)cc1 ZINC000095365347 211224847 /nfs/dbraw/zinc/22/48/47/211224847.db2.gz ATFDUNSDNMODQL-SFHVURJKSA-N -1 0 390.439 3.106 50 0 GGAARM Cc1cc(F)c([C@H](C(=O)[O-])N2CCN(Cc3ccccn3)CC2)cc1Cl ZINC000095355730 211221599 /nfs/dbraw/zinc/22/15/99/211221599.db2.gz LSGBJZHDLSKCGC-GOSISDBHSA-N -1 0 377.847 3.126 50 0 GGAARM Cc1[nH]c(=O)c(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)c(C)c1Cl ZINC000095353577 211220858 /nfs/dbraw/zinc/22/08/58/211220858.db2.gz VAWMXJXAWKKYDG-OAHLLOKOSA-N -1 0 388.851 3.363 50 0 GGAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(-c3cnco3)cc2)C[C@H]1c1cccc(F)c1 ZINC000092027965 211215100 /nfs/dbraw/zinc/21/51/00/211215100.db2.gz AVADWAYMRNRYNM-ZWKOTPCHSA-N -1 0 380.375 3.421 50 0 GGAARM Cc1ccc(C(=O)N2CCCn3nc(CCC(=O)[O-])cc3C2)cc1-n1cccc1 ZINC000091602979 211198789 /nfs/dbraw/zinc/19/87/89/211198789.db2.gz SYKJBNICHFUWRX-UHFFFAOYSA-N -1 0 392.459 3.046 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)c2cnn(-c3ccccc3)c2C)sc1CC(C)C ZINC000079501544 211158426 /nfs/dbraw/zinc/15/84/26/211158426.db2.gz OAANFAXCFFFHJF-UHFFFAOYSA-N -1 0 398.488 3.297 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)c2n[nH]c3ccccc32)sc1Cc1ccccc1 ZINC000079492803 211158240 /nfs/dbraw/zinc/15/82/40/211158240.db2.gz MOSHVUUDOVSENR-UHFFFAOYSA-N -1 0 392.440 3.071 50 0 GGAARM COc1ccccc1-c1nc(CC(=O)N[C@H](C(=O)[O-])c2ccccc2)cs1 ZINC000080357939 211157392 /nfs/dbraw/zinc/15/73/92/211157392.db2.gz YYNJNCLHDWILMG-SFHVURJKSA-N -1 0 382.441 3.303 50 0 GGAARM Cc1nn(C)cc1[C@H]1SCC(=O)Nc2c1c(C)nn2-c1ccc(C(=O)[O-])cc1 ZINC000079473275 211156831 /nfs/dbraw/zinc/15/68/31/211156831.db2.gz QBFFZWJZBQRLSH-QGZVFWFLSA-N -1 0 397.460 3.345 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)c2n[nH]c3ccccc32)sc1-c1ccccc1 ZINC000079479753 211156835 /nfs/dbraw/zinc/15/68/35/211156835.db2.gz CQUDROGODIKCAB-UHFFFAOYSA-N -1 0 378.413 3.147 50 0 GGAARM CCCc1nnc(N2CCC(Oc3ccccc3OC)(C(=O)[O-])CC2)s1 ZINC000082120319 211162641 /nfs/dbraw/zinc/16/26/41/211162641.db2.gz ZCDNGVNRACCWKN-UHFFFAOYSA-N -1 0 377.466 3.002 50 0 GGAARM Cc1ncc(CN2CCC(Oc3ccc4ccccc4c3)(C(=O)[O-])CC2)cn1 ZINC000082121268 211162747 /nfs/dbraw/zinc/16/27/47/211162747.db2.gz XBUXQQXRVZWREH-UHFFFAOYSA-N -1 0 377.444 3.436 50 0 GGAARM O=C([O-])c1ccc(C[C@H]2CCN(C(=O)c3cccc(Cn4cccn4)c3)C2)cc1 ZINC000072453820 211119932 /nfs/dbraw/zinc/11/99/32/211119932.db2.gz VMDQOGBDKGNFSK-LJQANCHMSA-N -1 0 389.455 3.334 50 0 GGAARM Cc1c2cccc(C)c2n(C)c1C(=O)N1CCCn2nc(CCC(=O)[O-])cc2C1 ZINC000072430589 211118529 /nfs/dbraw/zinc/11/85/29/211118529.db2.gz CEPSCCWIXAKQMU-UHFFFAOYSA-N -1 0 394.475 3.055 50 0 GGAARM COc1cc(-c2n[nH]cc2-c2nc3cc(C(=O)[O-])ccc3[nH]2)cc(OC)c1OC ZINC000072426285 211117417 /nfs/dbraw/zinc/11/74/17/211117417.db2.gz BABVFHAUAQZREL-UHFFFAOYSA-N -1 0 394.387 3.344 50 0 GGAARM Cc1ccc(C(=O)N2CCC(C(=O)[O-])(n3ccc(-c4ccco4)n3)CC2)s1 ZINC000072407518 211114798 /nfs/dbraw/zinc/11/47/98/211114798.db2.gz PTYMXINHSHCFSO-UHFFFAOYSA-N -1 0 385.445 3.229 50 0 GGAARM COC(=O)C[C@@H](c1ccc(-c2cccc(C(=O)[O-])c2)o1)c1c(O)cc(C)[nH]c1=O ZINC000072405530 211114342 /nfs/dbraw/zinc/11/43/42/211114342.db2.gz CKHQJXGXWABWMO-AWEZNQCLSA-N -1 0 397.383 3.042 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)c2sc(-n3cccc3)nc2C)sc1C(C)C ZINC000072401301 211112405 /nfs/dbraw/zinc/11/24/05/211112405.db2.gz YVWKOPKPFQHIGZ-UHFFFAOYSA-N -1 0 390.490 3.283 50 0 GGAARM CC(C)c1nccn1-c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCCCCC2)c1 ZINC000072168277 211079515 /nfs/dbraw/zinc/07/95/15/211079515.db2.gz JHYMYVYJMWCIJI-UHFFFAOYSA-N -1 0 391.493 3.259 50 0 GGAARM Cc1ccc(C(=O)[O-])c(N2CCC(=O)N(Cc3ccc(F)cc3)[C@@H](C(C)C)C2)n1 ZINC000071479622 211049975 /nfs/dbraw/zinc/04/99/75/211049975.db2.gz CMLOVEXDJONSSL-LJQANCHMSA-N -1 0 399.466 3.491 50 0 GGAARM COc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)cc2)cc1 ZINC000071280208 211041956 /nfs/dbraw/zinc/04/19/56/211041956.db2.gz FPHASLRBCOCHIU-DLBZAZTESA-N -1 0 382.416 3.243 50 0 GGAARM CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000071286071 211044460 /nfs/dbraw/zinc/04/44/60/211044460.db2.gz BMVCMYWHQHLEIR-QZTJIDSGSA-N -1 0 380.444 3.254 50 0 GGAARM COCc1nn2c(nccc2-c2c([O-])cc(C)oc2=O)c1-c1ccc(F)cc1 ZINC000071287459 211044317 /nfs/dbraw/zinc/04/43/17/211044317.db2.gz OCVLHRICIRWTNG-UHFFFAOYSA-N -1 0 381.363 3.316 50 0 GGAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cc(C(=O)NC2CCCC2)ccc1Cl ZINC000071284000 211044407 /nfs/dbraw/zinc/04/44/07/211044407.db2.gz UQNCOXBWHBBSGS-CABCVRRESA-N -1 0 378.856 3.308 50 0 GGAARM COc1ccc(NC(=O)C2CCC2)c(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000071287255 211044065 /nfs/dbraw/zinc/04/40/65/211044065.db2.gz TYVUFLKBIJBHOH-UHFFFAOYSA-N -1 0 382.416 3.313 50 0 GGAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(C(=O)Nc2ccccn2)c(Cl)c1 ZINC000071285336 211043802 /nfs/dbraw/zinc/04/38/02/211043802.db2.gz MFCHTQUFZGJQLX-GJZGRUSLSA-N -1 0 387.823 3.283 50 0 GGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(-c3cnc4n3CCC4)c2)c1 ZINC000090655148 211034718 /nfs/dbraw/zinc/03/47/18/211034718.db2.gz USVDSLDAXQYCEY-UHFFFAOYSA-N -1 0 399.472 3.314 50 0 GGAARM O=C([O-])c1cc(N2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)nc2ccccc21 ZINC000067846882 211024052 /nfs/dbraw/zinc/02/40/52/211024052.db2.gz XPMYKGYHKGEUOU-KBXCAEBGSA-N -1 0 392.411 3.017 50 0 GGAARM O=C([O-])CSc1nnc([C@H](O)c2ccccc2)n1-c1ccccc1Cl ZINC000067755211 211018525 /nfs/dbraw/zinc/01/85/25/211018525.db2.gz JEJJRGVCFPRECJ-OAHLLOKOSA-N -1 0 375.837 3.179 50 0 GGAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)C1(Nc2ccc(C)cc2)CCCCC1)C(=O)[O-] ZINC000067688900 211016527 /nfs/dbraw/zinc/01/65/27/211016527.db2.gz IHICQSBWJAZILZ-GOSISDBHSA-N -1 0 384.480 3.392 50 0 GGAARM O=C([O-])c1ccc2c(c1)S[C@@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)N2 ZINC000061718256 210929350 /nfs/dbraw/zinc/92/93/50/210929350.db2.gz KUWPXGYPWUAJFD-AWEZNQCLSA-N -1 0 376.821 3.480 50 0 GGAARM COc1ccc(CCn2cc(Oc3ccccc3)c(=O)c(C(=O)[O-])c2)cc1O ZINC000055198382 210883039 /nfs/dbraw/zinc/88/30/39/210883039.db2.gz SYUOWIADQGIPAV-UHFFFAOYSA-N -1 0 381.384 3.296 50 0 GGAARM O=C([O-])CNc1ccccc1C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000055211299 210884246 /nfs/dbraw/zinc/88/42/46/210884246.db2.gz COYWVUGCXYUELP-KRWDZBQOSA-N -1 0 392.415 3.210 50 0 GGAARM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]c1ccc(OC)cc1OC ZINC000044893529 210815883 /nfs/dbraw/zinc/81/58/83/210815883.db2.gz KBVDVXSWKHJOSV-UHFFFAOYSA-N -1 0 391.854 3.006 50 0 GGAARM COc1ccc(-c2nc(C)c(C(=O)N[C@@H](CCSC)C(=O)[O-])s2)cc1 ZINC000040312774 210784877 /nfs/dbraw/zinc/78/48/77/210784877.db2.gz HGSKSAXSGDSINM-ZDUSSCGKSA-N -1 0 380.491 3.063 50 0 biogenic GGAARM O=C([O-])[C@H](NC(=O)Cn1ccc2c1cccc2Br)c1ccccc1 ZINC000040266438 210783132 /nfs/dbraw/zinc/78/31/32/210783132.db2.gz ZRWJEFAKKFSCNA-QGZVFWFLSA-N -1 0 387.233 3.346 50 0 GGAARM CCOC(=O)C[C@H](c1ccc2c(c1)OCO2)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000072325260 210746786 /nfs/dbraw/zinc/74/67/86/210746786.db2.gz AYBXOVPBDCIPQW-CQSZACIVSA-N -1 0 381.384 3.048 50 0 biogenic GGAARM O=C([O-])[C@H]1CCCN(C(=O)CCn2ccc3ccc(Br)cc32)C1 ZINC000020744670 210359269 /nfs/dbraw/zinc/35/92/69/210359269.db2.gz YGSBIQNLZKMHQX-ZDUSSCGKSA-N -1 0 379.254 3.117 50 0 GGAARM CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])c2c[nH]c3cccc(Cl)c32)CC1 ZINC000020739188 210358641 /nfs/dbraw/zinc/35/86/41/210358641.db2.gz LWOXMCSZKXIAMS-INIZCTEOSA-N -1 0 393.871 3.500 50 0 GGAARM COc1cccc(-c2nc(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cs2)c1 ZINC000020724138 210358060 /nfs/dbraw/zinc/35/80/60/210358060.db2.gz WMBGMLHXYPCJIL-SFHVURJKSA-N -1 0 396.468 3.173 50 0 GGAARM O=C([O-])[C@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(Cc2ccccn2)CC1 ZINC000020725779 210356698 /nfs/dbraw/zinc/35/66/98/210356698.db2.gz KKBVYFNKWRAGDG-IBGZPJMESA-N -1 0 384.867 3.160 50 0 GGAARM COC(=O)c1sc2cc(NC(=O)c3nn(C)cc3C(=O)[O-])ccc2c1Cl ZINC000020616129 210354012 /nfs/dbraw/zinc/35/40/12/210354012.db2.gz DBMFRVHRYFAXMT-UHFFFAOYSA-N -1 0 393.808 3.025 50 0 GGAARM CCOc1ccccc1-n1c2nc(C3CC3)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000020615234 210353296 /nfs/dbraw/zinc/35/32/96/210353296.db2.gz OMJVNXDWNHSDQC-UHFFFAOYSA-N -1 0 383.429 3.044 50 0 GGAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)cs2)n1 ZINC000020614424 210352635 /nfs/dbraw/zinc/35/26/35/210352635.db2.gz WVJQGHDQABUOBX-UHFFFAOYSA-N -1 0 386.477 3.295 50 0 GGAARM Cc1cccc(-n2c(=S)[n-]c(=O)c3c2NCN(CCc2ccccc2)C3)n1 ZINC000020567565 210348854 /nfs/dbraw/zinc/34/88/54/210348854.db2.gz ROYOFJBDTLLIPV-UHFFFAOYSA-N -1 0 379.489 3.026 50 0 GGAARM Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N3CCC[C@H]3C(=O)[O-])c(C)c21 ZINC000008765039 221056927 /nfs/dbraw/zinc/05/69/27/221056927.db2.gz VPCJZRISJYJWBC-HNNXBMFYSA-N -1 0 397.427 3.391 50 0 biogenic GGAARM CC[C@H](C)NC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000009828501 221092215 /nfs/dbraw/zinc/09/22/15/221092215.db2.gz VKHNWPPFTPSZTR-JTQLQIEISA-N -1 0 387.914 3.055 50 0 GGAARM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(c1ccc3cc(Cl)ccc3n1)CC2 ZINC000082115455 136173754 /nfs/dbraw/zinc/17/37/54/136173754.db2.gz BJZPJLIVBHRKQO-KRWDZBQOSA-N -1 0 387.867 3.180 50 0 GGAARM CN1CC2(CCN(c3ccc(C(=O)[O-])cn3)CC2)C[C@H](c2ccccc2)C1=O ZINC000091755999 136177023 /nfs/dbraw/zinc/17/70/23/136177023.db2.gz XFPVRVPLOUPDPY-GOSISDBHSA-N -1 0 379.460 3.012 50 0 GGAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)cc1 ZINC000095354393 136177967 /nfs/dbraw/zinc/17/79/67/136177967.db2.gz PWSOUBJORWXTLH-FQEVSTJZSA-N -1 0 394.471 3.241 50 0 GGAARM Cc1cc(C)cc(N2CCN(c3cc(C(=O)[O-])c4ccccc4n3)CC2=O)c1 ZINC000095501736 136179973 /nfs/dbraw/zinc/17/99/73/136179973.db2.gz SZRZDUBPXCDCGZ-UHFFFAOYSA-N -1 0 375.428 3.403 50 0 GGAARM Cc1ccc(C(=O)[O-])c(N2CCC[C@H](c3nccn3Cc3cscn3)C2)n1 ZINC000095521486 136181327 /nfs/dbraw/zinc/18/13/27/136181327.db2.gz WBMUYBZWMPPWGL-AWEZNQCLSA-N -1 0 383.477 3.174 50 0 GGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(N3CCCCC3=O)c2)c1 ZINC000005330022 136194736 /nfs/dbraw/zinc/19/47/36/136194736.db2.gz ADLOGULTHABURY-UHFFFAOYSA-N -1 0 390.461 3.022 50 0 GGAARM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCCC3=O)c2)c(OC)c1 ZINC000005330060 136194794 /nfs/dbraw/zinc/19/47/94/136194794.db2.gz YUNMETZEDGHPIM-UHFFFAOYSA-N -1 0 390.461 3.022 50 0 GGAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCCCC2=O)cc1 ZINC000005329761 136194797 /nfs/dbraw/zinc/19/47/97/136194797.db2.gz PROHLAJSBKJPRI-UHFFFAOYSA-N -1 0 378.425 3.152 50 0 GGAARM [O-]c1c([C@@H](c2ccco2)N2CCN(c3ccc(F)cc3)CC2)sc2ncnn12 ZINC000022610121 136204252 /nfs/dbraw/zinc/20/42/52/136204252.db2.gz DNRARCGVHFUZHE-MRXNPFEDSA-N -1 0 399.451 3.140 50 0 GGAARM O=C([O-])Cn1ccc([C@H]2CCCN(C(=O)c3ccc4cccc(Cl)c4n3)C2)n1 ZINC000426550333 534510170 /nfs/dbraw/zinc/51/01/70/534510170.db2.gz ANOKXWSJBYJXBE-AWEZNQCLSA-N -1 0 398.850 3.189 50 0 GGAARM CC[C@H](C)[C@@H](NC(=O)[C@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-] ZINC000253483638 521850405 /nfs/dbraw/zinc/85/04/05/521850405.db2.gz VGXCIBPQEKJWIO-RMLVOYDJSA-N -1 0 389.448 3.101 50 0 GGAARM CCOc1ccc(-n2c(=O)c([C@H]3OC(=O)c4ccccc43)c([O-])[nH]c2=S)cc1 ZINC000101086723 528359135 /nfs/dbraw/zinc/35/91/35/528359135.db2.gz SUBIQVJNJOMVCI-INIZCTEOSA-N -1 0 396.424 3.259 50 0 GGAARM CCC(NCCc1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000101043246 535227230 /nfs/dbraw/zinc/22/72/30/535227230.db2.gz CELONGYBCCCECG-HTXNQAPBSA-N -1 0 377.444 3.074 50 0 GGAARM COc1ccccc1OC1(C(=O)[O-])CCN(c2ncnc3ccsc32)CC1 ZINC000082108453 537088239 /nfs/dbraw/zinc/08/82/39/537088239.db2.gz XTQHDAHHBGDWNJ-UHFFFAOYSA-N -1 0 385.445 3.203 50 0 GGAARM Cc1nc([N-]S(=O)(=O)c2ccc(C)cc2)sc1NC(=O)NC(C)(C)C ZINC000005684177 551098170 /nfs/dbraw/zinc/09/81/70/551098170.db2.gz ZBYNVYOOOKRQOW-UHFFFAOYSA-N -1 0 382.511 3.481 50 0 GGAARM O=C([O-])c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21 ZINC000004534389 560198550 /nfs/dbraw/zinc/19/85/50/560198550.db2.gz BZTDTCNHAFUJOG-UHFFFAOYSA-N -1 0 376.320 3.364 50 0 in-vitro GGAARM COc1ccc(OCC(=O)Nc2ccc(Br)cc2C(=O)[O-])cc1 ZINC000000704751 564180350 /nfs/dbraw/zinc/18/03/50/564180350.db2.gz VQTRBZUMMFAILB-UHFFFAOYSA-N -1 0 380.194 3.173 50 0 GGAARM O=C([O-])[C@@H](CC(=O)NCc1ccccc1)Cc1ccc(Br)cc1 ZINC000000847474 564181325 /nfs/dbraw/zinc/18/13/25/564181325.db2.gz JGKOYXHYXWPGNN-OAHLLOKOSA-N -1 0 376.250 3.399 50 0 GGAARM O=C([O-])C1(c2ccccc2)CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000001050172 564182377 /nfs/dbraw/zinc/18/23/77/564182377.db2.gz RUKVZKQCIHJKQR-UHFFFAOYSA-N -1 0 379.865 3.147 50 0 GGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000000982663 564182675 /nfs/dbraw/zinc/18/26/75/564182675.db2.gz VMNPWJSDISVGEK-UHFFFAOYSA-N -1 0 378.269 3.329 50 0 GGAARM O=C([O-])c1cccc(NC(=S)NC(=O)c2ccccc2Br)c1 ZINC000001156266 564183291 /nfs/dbraw/zinc/18/32/91/564183291.db2.gz VQFFIECCJGKROZ-UHFFFAOYSA-N -1 0 379.235 3.274 50 0 GGAARM O=C([O-])c1cccc(NC(=S)NC(=O)c2cccc(Br)c2)c1 ZINC000001156223 564183673 /nfs/dbraw/zinc/18/36/73/564183673.db2.gz YEWPFKSVYAKUJB-UHFFFAOYSA-N -1 0 379.235 3.274 50 0 GGAARM Cc1c(Cl)cccc1NC(=O)c1sc2[nH]c(=O)c(C(=O)[O-])cc2c1N ZINC000002293585 564186411 /nfs/dbraw/zinc/18/64/11/564186411.db2.gz RSTQGWJEISZSQV-UHFFFAOYSA-N -1 0 377.809 3.084 50 0 GGAARM O=C(Cc1cccs1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000002988201 564192643 /nfs/dbraw/zinc/19/26/43/564192643.db2.gz IODBJTUHECDVRK-UHFFFAOYSA-N -1 0 379.488 3.187 50 0 GGAARM CCOC(=O)[C@@]([N-]c1cc(Cl)ccc1OC)(NC(=O)CC)C(F)(F)F ZINC000003103131 564193204 /nfs/dbraw/zinc/19/32/04/564193204.db2.gz SEAGXDZHVFMAHH-CQSZACIVSA-N -1 0 382.766 3.108 50 0 GGAARM O=C([O-])[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000003296681 564194872 /nfs/dbraw/zinc/19/48/72/564194872.db2.gz KOMUHJORPRFIMB-AWEZNQCLSA-N -1 0 386.256 3.194 50 0 GGAARM C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000003885931 564199971 /nfs/dbraw/zinc/19/99/71/564199971.db2.gz KCAKWPXWVUQRAX-JTQLQIEISA-N -1 0 396.262 3.287 50 0 GGAARM N=C1NC(=O)/C(=C/c2cc(Br)c([O-])c(Br)c2)S1 ZINC000004188729 564201400 /nfs/dbraw/zinc/20/14/00/564201400.db2.gz JQNVJDMZFWGJNA-CLTKARDFSA-N -1 0 378.045 3.056 50 0 GGAARM O=S(=O)([N-]c1cccc(-c2ccc3nncn3n2)c1)c1ccc(Cl)s1 ZINC000004270252 564202216 /nfs/dbraw/zinc/20/22/16/564202216.db2.gz ZFFHDYAIXHWZEL-UHFFFAOYSA-N -1 0 391.865 3.307 50 0 GGAARM Cc1cccc(NC(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)c1C ZINC000004306487 564202606 /nfs/dbraw/zinc/20/26/06/564202606.db2.gz ZMGACYDNPXIYBS-UHFFFAOYSA-N -1 0 375.475 3.146 50 0 GGAARM [O-]C(c1cccs1)=C1[C@H](c2ccccc2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000004387911 564202824 /nfs/dbraw/zinc/20/28/24/564202824.db2.gz ZQBQEESSCRTKOY-HUBLWGQQSA-N -1 0 386.420 3.017 50 0 GGAARM COC(=O)c1cc(Br)ccc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000004660772 564205105 /nfs/dbraw/zinc/20/51/05/564205105.db2.gz QZUANJJOESQWNE-UHFFFAOYSA-N -1 0 384.251 3.345 50 0 GGAARM CCOc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000004618990 564205164 /nfs/dbraw/zinc/20/51/64/564205164.db2.gz BOKQPJNHCCCCOO-INIZCTEOSA-N -1 0 383.853 3.233 50 0 GGAARM O=C([O-])c1ccccc1NC(=S)NC(=O)c1cccc(Br)c1 ZINC000004674151 564205354 /nfs/dbraw/zinc/20/53/54/564205354.db2.gz HNISYHBAKXSLLR-UHFFFAOYSA-N -1 0 379.235 3.274 50 0 GGAARM Cc1ccc(CN(CC(=O)[O-])S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000004954369 564210737 /nfs/dbraw/zinc/21/07/37/564210737.db2.gz YMCFWBZBVAMMJZ-UHFFFAOYSA-N -1 0 398.278 3.033 50 0 GGAARM CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)cc1 ZINC000005051557 564211866 /nfs/dbraw/zinc/21/18/66/564211866.db2.gz ZXISCDSSOYCZNO-UHFFFAOYSA-N -1 0 376.503 3.445 50 0 GGAARM O=C([O-])CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 ZINC000006320848 564222314 /nfs/dbraw/zinc/22/23/14/564222314.db2.gz BMCOTYQMJCRKBS-UHFFFAOYSA-N -1 0 392.235 3.408 50 0 GGAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCSCc1cccc(Cl)c1 ZINC000006268605 564222417 /nfs/dbraw/zinc/22/24/17/564222417.db2.gz ZSYNMEOKNPHCFU-UHFFFAOYSA-N -1 0 398.937 3.375 50 0 GGAARM CCc1ccc(S(=O)(=O)[N-]c2ncn(Cc3ccccc3Cl)n2)cc1 ZINC000006502329 564224017 /nfs/dbraw/zinc/22/40/17/564224017.db2.gz UYTSFUDEOUVULT-UHFFFAOYSA-N -1 0 376.869 3.343 50 0 GGAARM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)cs2)no1 ZINC000006681807 564227259 /nfs/dbraw/zinc/22/72/59/564227259.db2.gz LUXALJCCBNISAC-UHFFFAOYSA-N -1 0 377.447 3.406 50 0 GGAARM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3cccc(F)c3)cs2)no1 ZINC000006681811 564227377 /nfs/dbraw/zinc/22/73/77/564227377.db2.gz DZNLRKJOOOVMMT-UHFFFAOYSA-N -1 0 381.410 3.237 50 0 GGAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(C(C)=O)cc1 ZINC000007052402 564231672 /nfs/dbraw/zinc/23/16/72/564231672.db2.gz XGJDXEVXWIBWSC-UHFFFAOYSA-N -1 0 384.251 3.461 50 0 GGAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(C(C)=O)c1 ZINC000007056248 564231737 /nfs/dbraw/zinc/23/17/37/564231737.db2.gz ZZHMTMTXJLWSRU-UHFFFAOYSA-N -1 0 384.251 3.461 50 0 GGAARM O=C1NC(=O)C(=Cc2cc(Br)c([O-])c(Br)c2)S1 ZINC000012428278 564268345 /nfs/dbraw/zinc/26/83/45/564268345.db2.gz MFIRMNDQUFKHHE-CLTKARDFSA-N -1 0 379.029 3.241 50 0 GGAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(Br)c(C)c1 ZINC000009002271 564251372 /nfs/dbraw/zinc/25/13/72/564251372.db2.gz ABURRBRWYYYUOB-UHFFFAOYSA-N -1 0 390.280 3.406 50 0 GGAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)C(C)C)CC3)s1 ZINC000008977094 564251600 /nfs/dbraw/zinc/25/16/00/564251600.db2.gz VXIBHYJCIAAFTJ-UHFFFAOYSA-N -1 0 378.519 3.398 50 0 GGAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc(F)c(Br)c2)cc1 ZINC000009482629 564252996 /nfs/dbraw/zinc/25/29/96/564252996.db2.gz VUNAUSZIXAOVHC-UHFFFAOYSA-N -1 0 387.230 3.407 50 0 GGAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1ccccc1OC ZINC000009646366 564254313 /nfs/dbraw/zinc/25/43/13/564254313.db2.gz IOBISXBZVDCZHU-UHFFFAOYSA-N -1 0 377.443 3.497 50 0 GGAARM Cc1cccc(C)c1NC(=O)CSC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000009530236 564254391 /nfs/dbraw/zinc/25/43/91/564254391.db2.gz KKECWYOVCFZDOW-UHFFFAOYSA-N -1 0 375.475 3.146 50 0 GGAARM C[C@@H](NC(=O)c1csc([N-]S(=O)(=O)c2cccs2)n1)c1ccccc1 ZINC000011693220 564264572 /nfs/dbraw/zinc/26/45/72/564264572.db2.gz UTWUULRKTUUBNY-LLVKDONJSA-N -1 0 393.515 3.496 50 0 GGAARM COc1ccccc1NC(=O)c1csc([N-]S(=O)(=O)c2cccs2)n1 ZINC000012627878 564269421 /nfs/dbraw/zinc/26/94/21/564269421.db2.gz MGRKEBKDFHJYNN-UHFFFAOYSA-N -1 0 395.487 3.266 50 0 GGAARM CC[C@@H](C)[C@H](NC(=O)CCn1ccc2ccc(Br)cc21)C(=O)[O-] ZINC000020760605 564307913 /nfs/dbraw/zinc/30/79/13/564307913.db2.gz YNWGLOXWWQORGX-BZNIZROVSA-N -1 0 381.270 3.409 50 0 biogenic GGAARM CCc1nc2sc([C@H](c3ccccc3Cl)N3CCOCC3)c([O-])n2n1 ZINC000022854174 564319831 /nfs/dbraw/zinc/31/98/31/564319831.db2.gz PJVPVFBVMWPTGD-AWEZNQCLSA-N -1 0 378.885 3.134 50 0 GGAARM CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCOCC3)c([O-])n2n1 ZINC000022854187 564320441 /nfs/dbraw/zinc/32/04/41/564320441.db2.gz UYPTVKVTFQWFFW-AWEZNQCLSA-N -1 0 378.885 3.134 50 0 GGAARM CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCOCC3)c([O-])n2n1 ZINC000022854184 564320446 /nfs/dbraw/zinc/32/04/46/564320446.db2.gz SFEUKLVAHLFRHY-CQSZACIVSA-N -1 0 378.885 3.134 50 0 GGAARM CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCOCC3)c([O-])n2n1 ZINC000022854190 564320452 /nfs/dbraw/zinc/32/04/52/564320452.db2.gz UYPTVKVTFQWFFW-CQSZACIVSA-N -1 0 378.885 3.134 50 0 GGAARM CSCC[C@H](NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1)C(=O)[O-] ZINC000036293912 564417768 /nfs/dbraw/zinc/41/77/68/564417768.db2.gz GNMGSZDDDTYUJL-INIZCTEOSA-N -1 0 399.921 3.492 50 0 GGAARM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2cc(Br)ccc12)C(=O)[O-] ZINC000040566509 564428047 /nfs/dbraw/zinc/42/80/47/564428047.db2.gz MIRGNBUFSULZAZ-ZDUSSCGKSA-N -1 0 383.242 3.451 50 0 GGAARM CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2c1cccc2Br)C(=O)[O-] ZINC000040566517 564428206 /nfs/dbraw/zinc/42/82/06/564428206.db2.gz XQVLODKGIHVFTP-GFCCVEGCSA-N -1 0 383.242 3.451 50 0 GGAARM COc1ccc(NC(=O)CSc2nc(=O)c3sccc3[n-]2)cc1Cl ZINC000051317236 564563630 /nfs/dbraw/zinc/56/36/30/564563630.db2.gz MEPFQANIHYDOQI-UHFFFAOYSA-N -1 0 381.866 3.377 50 0 GGAARM O=C([O-])c1cc(I)ccc1NC(=O)Cc1ccccc1 ZINC000059410280 564693403 /nfs/dbraw/zinc/69/34/03/564693403.db2.gz CPPDZZZMMYMNDK-UHFFFAOYSA-N -1 0 381.169 3.171 50 0 GGAARM O=C([O-])c1ccc2c(c1)S[C@H](CC(=O)Nc1cccc(Cl)c1)C(=O)N2 ZINC000061719252 564707861 /nfs/dbraw/zinc/70/78/61/564707861.db2.gz PHOSOYPZBKZUAD-CQSZACIVSA-N -1 0 376.821 3.480 50 0 GGAARM [O-]C(c1cccs1)=C1[C@@H](c2ccccc2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000103159702 564943944 /nfs/dbraw/zinc/94/39/44/564943944.db2.gz ZQBQEESSCRTKOY-YWPYICTPSA-N -1 0 386.420 3.017 50 0 GGAARM O=C([O-])c1ccc(F)c(NC(=O)c2cnc3ccc(Br)cn32)c1 ZINC000390822241 565558721 /nfs/dbraw/zinc/55/87/21/565558721.db2.gz AEPVTKGAQIWWJJ-UHFFFAOYSA-N -1 0 378.157 3.186 50 0 GGAARM COc1ccccc1S(=O)(=O)[N-]c1ccc([S@](=O)C(F)(F)F)cc1 ZINC000685939546 567312388 /nfs/dbraw/zinc/31/23/88/567312388.db2.gz LGFJCESTPKRYEM-QHCPKHFHSA-N -1 0 379.381 3.123 50 0 GGAARM O=C([O-])[C@@H](NC(=O)c1cnc(C2CC2)s1)c1ccc(Br)cc1 ZINC000531998253 567691995 /nfs/dbraw/zinc/69/19/95/567691995.db2.gz KACHPEXMVOEQFF-LBPRGKRZSA-N -1 0 381.251 3.339 50 0 GGAARM CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCCC2)cc1OC ZINC000022625984 570222436 /nfs/dbraw/zinc/22/24/36/570222436.db2.gz DMSCXNVKGYKCBC-MRXNPFEDSA-N -1 0 388.493 3.397 50 0 GGAARM Cc1cc(C)cc(NC(=O)C2CCN(c3nc4[n-]cnc(=O)c4s3)CC2)c1 ZINC000048987457 570256369 /nfs/dbraw/zinc/25/63/69/570256369.db2.gz CRXBTVYEUBKLJG-UHFFFAOYSA-N -1 0 383.477 3.264 50 0 GGAARM Cc1cc(C)nc([N-]c2nc(CC(=O)Nc3ccc4c(c3)OCCO4)cs2)n1 ZINC000049029490 570260381 /nfs/dbraw/zinc/26/03/81/570260381.db2.gz VTXFNQKWQZNJJB-UHFFFAOYSA-N -1 0 397.460 3.246 50 0 GGAARM O=C([O-])[C@H]1Cc2[nH]cnc2[C@H](c2ccc(F)cc2)N1C(=S)Nc1ccccc1 ZINC000022628268 570264693 /nfs/dbraw/zinc/26/46/93/570264693.db2.gz DYVXCFIFPGCDFU-AEFFLSMTSA-N -1 0 396.447 3.347 50 0 GGAARM CCOc1cc(C(=O)Nc2nnc(-c3ccno3)o2)cc(OCC)c1OCC ZINC000012234514 570276217 /nfs/dbraw/zinc/27/62/17/570276217.db2.gz BOMYMWBHODVCPP-UHFFFAOYSA-N -1 0 388.380 3.173 50 0 GGAARM CC(=O)Oc1ccc(NC(=O)COc2cccc3ccccc32)c(C(=O)[O-])c1 ZINC000004826962 570295365 /nfs/dbraw/zinc/29/53/65/570295365.db2.gz ZNLHKUPVBNVNST-UHFFFAOYSA-N -1 0 379.368 3.481 50 0 GGAARM COCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c1 ZINC000002864272 570312190 /nfs/dbraw/zinc/31/21/90/570312190.db2.gz IZLSKMNDOPHERE-UHFFFAOYSA-N -1 0 396.896 3.134 50 0 GGAARM COCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1 ZINC000002866349 570312650 /nfs/dbraw/zinc/31/26/50/570312650.db2.gz YMJNIHSOHZMORC-UHFFFAOYSA-N -1 0 396.896 3.134 50 0 GGAARM CN1C(=O)N[C@H](c2ccccc2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F ZINC000033416084 570312975 /nfs/dbraw/zinc/31/29/75/570312975.db2.gz SDDKJSUCARZMKN-XJKCOSOUSA-N -1 0 384.379 3.194 50 0 GGAARM CSCC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000002944274 570319209 /nfs/dbraw/zinc/31/92/09/570319209.db2.gz XOCPVFBNIIAYDD-QGZVFWFLSA-N -1 0 386.473 3.183 50 0 GGAARM O=C([O-])c1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 ZINC000002952629 570319863 /nfs/dbraw/zinc/31/98/63/570319863.db2.gz JWCDZTHSSRAEJU-UHFFFAOYSA-N -1 0 396.424 3.438 50 0 GGAARM CC(C)C[C@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000002983244 570322714 /nfs/dbraw/zinc/32/27/14/570322714.db2.gz GPTKNCYGSSZLCN-BSKAQADGSA-N -1 0 380.444 3.073 50 0 GGAARM COc1ccc(/C=C2/N=C(SCC(=O)[O-])N(Cc3ccccc3)C2=O)cc1 ZINC000003277946 570335416 /nfs/dbraw/zinc/33/54/16/570335416.db2.gz IKPIHMNXILVOAO-GZTJUZNOSA-N -1 0 382.441 3.252 50 0 GGAARM Cc1cccc(Nc2nnc(SCC(=O)N3CCC(C(=O)[O-])CC3)s2)c1 ZINC000003291105 570335832 /nfs/dbraw/zinc/33/58/32/570335832.db2.gz QVOAXPTULOVNQT-UHFFFAOYSA-N -1 0 392.506 3.005 50 0 GGAARM O=C([O-])CCC(=O)N1N=C(c2ccc(F)cc2)C[C@H]1c1ccc2nccnc2c1 ZINC000011692695 570340563 /nfs/dbraw/zinc/34/05/63/570340563.db2.gz MDLWWUUUWLSFOG-IBGZPJMESA-N -1 0 392.390 3.311 50 0 GGAARM Cc1cc(C)cc(NC(=O)CSC2=Nc3ccc(F)cc3S(=O)(=O)[N-]2)c1 ZINC000004853621 570348437 /nfs/dbraw/zinc/34/84/37/570348437.db2.gz DCYWXTZVURMLLD-UHFFFAOYSA-N -1 0 393.465 3.285 50 0 GGAARM CO[C@](c1ccccc1)(c1ccc(F)cc1)[C@H](Oc1nccc(C)n1)C(=O)[O-] ZINC000006320241 570378526 /nfs/dbraw/zinc/37/85/26/570378526.db2.gz MBEXHHZGFKRMCL-WIYYLYMNSA-N -1 0 382.391 3.346 50 0 GGAARM CO[C@](c1ccccc1)(c1ccc(F)cc1)[C@@H](Oc1nccc(C)n1)C(=O)[O-] ZINC000006320239 570378607 /nfs/dbraw/zinc/37/86/07/570378607.db2.gz MBEXHHZGFKRMCL-GHTZIAJQSA-N -1 0 382.391 3.346 50 0 GGAARM CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004521276 570381430 /nfs/dbraw/zinc/38/14/30/570381430.db2.gz DYSBKEOCHROEGX-HNNXBMFYSA-N -1 0 380.441 3.061 50 0 GGAARM Cc1[nH][nH]c(=O)c1C(c1ccc(-c2ccccc2C(=O)[O-])o1)c1c(C)[nH][nH]c1=O ZINC000004540535 570382955 /nfs/dbraw/zinc/38/29/55/570382955.db2.gz CAWIUJLJCIJYAF-UHFFFAOYSA-N -1 0 394.387 3.299 50 0 GGAARM COc1ccc(Cl)cc1NC(=O)c1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000004593125 570386371 /nfs/dbraw/zinc/38/63/71/570386371.db2.gz HLDXEZPNSCXOIF-UHFFFAOYSA-N -1 0 376.796 3.404 50 0 GGAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@@H](C(=O)[O-])C1 ZINC000004651488 570389692 /nfs/dbraw/zinc/38/96/92/570389692.db2.gz VKEVUPIIATWBTD-STQMWFEESA-N -1 0 376.478 3.112 50 0 GGAARM CCOC(=O)c1cc(CC)sc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)[O-] ZINC000004652207 570389785 /nfs/dbraw/zinc/38/97/85/570389785.db2.gz CIDROYNIYJXIBO-PKIAMQTDSA-N -1 0 377.462 3.339 50 0 GGAARM CCOc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cc1OC ZINC000004705127 570396164 /nfs/dbraw/zinc/39/61/64/570396164.db2.gz PSHLMWNOFBKWAJ-UHFFFAOYSA-N -1 0 386.448 3.241 50 0 GGAARM CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000004725279 570398246 /nfs/dbraw/zinc/39/82/46/570398246.db2.gz PGJVHPHCIWSPOX-ODMWJAAVSA-N -1 0 389.451 3.378 50 0 GGAARM CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)[N-]c2cccnc2)o1 ZINC000035597578 570400264 /nfs/dbraw/zinc/40/02/64/570400264.db2.gz OQYYEAVBOKAANE-UHFFFAOYSA-N -1 0 389.458 3.450 50 0 GGAARM COc1ccccc1CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000004756971 570403810 /nfs/dbraw/zinc/40/38/10/570403810.db2.gz AZDBTRABLXEMOL-UHFFFAOYSA-N -1 0 396.468 3.426 50 0 GGAARM COc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)sc3=O)=Nc3ccccc3N2)cc1 ZINC000035622689 570404252 /nfs/dbraw/zinc/40/42/52/570404252.db2.gz ZOOMZKCPTDRUCM-HNNXBMFYSA-N -1 0 395.440 3.189 50 0 GGAARM O=C(c1cccc(S(=O)(=O)[N-]c2ccccn2)c1)N1CCCc2ccccc21 ZINC000004809564 570407070 /nfs/dbraw/zinc/40/70/70/570407070.db2.gz ILLPHRBIMBRISX-UHFFFAOYSA-N -1 0 393.468 3.475 50 0 GGAARM CC[C@@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC000004866152 570413539 /nfs/dbraw/zinc/41/35/39/570413539.db2.gz GZVYHDKHVKVGQQ-FZKQIMNGSA-N -1 0 384.432 3.177 50 0 GGAARM O=C(C1CC1)N1CCCc2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc21 ZINC000005099562 570416468 /nfs/dbraw/zinc/41/64/68/570416468.db2.gz GGDJYTBVMFVTIQ-UHFFFAOYSA-N -1 0 392.427 3.455 50 0 GGAARM O=C(NC[C@@H]1CCCO1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000005050696 570426506 /nfs/dbraw/zinc/42/65/06/570426506.db2.gz IKXVQARHPUXVDI-HNNXBMFYSA-N -1 0 394.880 3.050 50 0 GGAARM O=C(NC[C@H]1CCCO1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000005050698 570426522 /nfs/dbraw/zinc/42/65/22/570426522.db2.gz IKXVQARHPUXVDI-OAHLLOKOSA-N -1 0 394.880 3.050 50 0 GGAARM COC([O-])=NC(=O)c1c(C)c(C)sc1NC(=O)c1ccc(N(C)C)cc1 ZINC000005145074 570426635 /nfs/dbraw/zinc/42/66/35/570426635.db2.gz WTUGMWBTNOIZHZ-UHFFFAOYSA-N -1 0 375.450 3.179 50 0 GGAARM COc1cc(NC(=O)COc2ccc(Cl)cc2C)c(C(=O)[O-])cc1OC ZINC000005065410 570428109 /nfs/dbraw/zinc/42/81/09/570428109.db2.gz MJNBXPUWNMISSG-UHFFFAOYSA-N -1 0 379.796 3.381 50 0 GGAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc2c3c(c1)CCCN3C(=O)[C@@H]2C ZINC000005153793 570429443 /nfs/dbraw/zinc/42/94/43/570429443.db2.gz YFRRRHRVMUOXJL-CYBMUJFWSA-N -1 0 386.473 3.201 50 0 GGAARM CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000026771889 570437111 /nfs/dbraw/zinc/43/71/11/570437111.db2.gz SVKUVJVFUWNETR-XEKQOVJPSA-N -1 0 389.448 3.128 50 0 GGAARM CC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000005157355 570438280 /nfs/dbraw/zinc/43/82/80/570438280.db2.gz TWSLCQBUOKIILH-MJGOQNOKSA-N -1 0 395.846 3.280 50 0 GGAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c3cc2c1C ZINC000011866854 570441869 /nfs/dbraw/zinc/44/18/69/570441869.db2.gz LKLYOPXZOOVPBE-IBGZPJMESA-N -1 0 385.416 3.232 50 0 GGAARM COc1cccc(C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2nnn[n-]2)c1 ZINC000005485656 570442210 /nfs/dbraw/zinc/44/22/10/570442210.db2.gz JRFMGXSGASOMMR-OAHLLOKOSA-N -1 0 391.353 3.192 50 0 GGAARM COc1ccccc1Oc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000005753071 570455570 /nfs/dbraw/zinc/45/55/70/570455570.db2.gz JBEFGVKJNHLKKB-MRXNPFEDSA-N -1 0 393.461 3.265 50 0 GGAARM O=C([N-]S(=O)(=O)c1ccccc1)Nc1ncccc1OCc1ccccc1 ZINC000006057237 570465289 /nfs/dbraw/zinc/46/52/89/570465289.db2.gz CKEBWZMNSRNXQM-UHFFFAOYSA-N -1 0 383.429 3.171 50 0 GGAARM O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc(O)c3)[C@@H]2C(=O)N1c1ccccc1 ZINC000138266221 570486405 /nfs/dbraw/zinc/48/64/05/570486405.db2.gz WBFBHGZYXQPKOV-PCCBWWKXSA-N -1 0 386.407 3.443 50 0 GGAARM O=C([O-])CCC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000006741601 570491498 /nfs/dbraw/zinc/49/14/98/570491498.db2.gz UAKVTBUKTIQOAM-UHFFFAOYSA-N -1 0 386.473 3.360 50 0 GGAARM O=C([O-])c1ccc2c(c1)S[C@@H](CC(=O)Nc1ccc(F)c(F)c1F)C(=O)N2 ZINC000061718148 570501065 /nfs/dbraw/zinc/50/10/65/570501065.db2.gz IAMWAPUUQNKRBS-LBPRGKRZSA-N -1 0 396.346 3.244 50 0 GGAARM COc1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2)nn1 ZINC000005204258 570506112 /nfs/dbraw/zinc/50/61/12/570506112.db2.gz KAWBPKVARPJDFG-UHFFFAOYSA-N -1 0 377.372 3.231 50 0 GGAARM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)c(C)c1 ZINC000002709552 570506563 /nfs/dbraw/zinc/50/65/63/570506563.db2.gz GHKBJMDVNDESPL-UHFFFAOYSA-N -1 0 396.472 3.455 50 0 GGAARM CC[C@@H](NC(=O)Cc1c(C)c2c3oc(C)c(C)c3c(C)cc2oc1=O)C(=O)[O-] ZINC000006624218 570508438 /nfs/dbraw/zinc/50/84/38/570508438.db2.gz HUAXKTQWJRYZNV-CQSZACIVSA-N -1 0 385.416 3.295 50 0 biogenic GGAARM CN1C(=O)N[C@H](c2ccccc2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F ZINC000006625609 570509785 /nfs/dbraw/zinc/50/97/85/570509785.db2.gz SDDKJSUCARZMKN-ZENOOKHLSA-N -1 0 384.379 3.194 50 0 GGAARM CCOc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCCC2)cc1 ZINC000006653274 570520756 /nfs/dbraw/zinc/52/07/56/570520756.db2.gz KUZPKFBKBPKEQN-UHFFFAOYSA-N -1 0 398.488 3.430 50 0 GGAARM CCCCNC(=O)CCCCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3 ZINC000002974368 570524596 /nfs/dbraw/zinc/52/45/96/570524596.db2.gz QBBDWIJZMPUUBY-UHFFFAOYSA-N -1 0 391.493 3.264 50 0 GGAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)c1 ZINC000000851583 570533856 /nfs/dbraw/zinc/53/38/56/570533856.db2.gz VUQSFSHMYPPDOB-UHFFFAOYSA-N -1 0 396.424 3.438 50 0 GGAARM O=C(CSc1nc2c(c(=O)[nH]1)CCCC2)Nc1ccccc1C(F)(F)F ZINC000008587327 570534770 /nfs/dbraw/zinc/53/47/70/570534770.db2.gz JQXKKAQDWZPCKB-UHFFFAOYSA-N -1 0 383.395 3.398 50 0 GGAARM COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc2c(c(=O)[nH]1)CCCC2 ZINC000008587357 570534966 /nfs/dbraw/zinc/53/49/66/570534966.db2.gz SRWHJQXVPCQBSQ-SNVBAGLBSA-N -1 0 393.896 3.430 50 0 GGAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1)N1CCOCC1 ZINC000002825626 570535878 /nfs/dbraw/zinc/53/58/78/570535878.db2.gz IOONMEPYJIYLMC-UHFFFAOYSA-N -1 0 396.468 3.113 50 0 GGAARM Nc1nc(SCC(=O)[O-])nc2sc3c(c21)CCN(Cc1ccccc1)C3 ZINC000022034277 570537704 /nfs/dbraw/zinc/53/77/04/570537704.db2.gz AYJOUUDHOYOLFR-UHFFFAOYSA-N -1 0 386.502 3.009 50 0 GGAARM CCc1nc2sc([C@H](c3ccc(F)cc3)N3C[C@@H](C)O[C@H](C)C3)c([O-])n2n1 ZINC000036104908 570541693 /nfs/dbraw/zinc/54/16/93/570541693.db2.gz CLGVVCAPRHWFPN-HSMVNMDESA-N -1 0 390.484 3.397 50 0 GGAARM Cc1ccccc1NC(=O)N(C)CCc1noc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000034927262 570548273 /nfs/dbraw/zinc/54/82/73/570548273.db2.gz GXOBAAYJDLZICZ-UHFFFAOYSA-N -1 0 380.404 3.450 50 0 GGAARM O=c1cc(CSc2ncccn2)nc2[n-]c(SCc3ccccc3)nn21 ZINC000009303623 570554648 /nfs/dbraw/zinc/55/46/48/570554648.db2.gz BJSGWAPHOHYYMM-UHFFFAOYSA-N -1 0 382.474 3.205 50 0 GGAARM O=C([O-])c1ccc(N[C@@H](NC(=O)c2cccs2)C(=O)c2ccccc2)cc1 ZINC000005331595 570555577 /nfs/dbraw/zinc/55/55/77/570555577.db2.gz DQEMPXUVVBXIII-SFHVURJKSA-N -1 0 380.425 3.497 50 0 GGAARM CCc1nc2sc([C@H](c3ccc(OC)c(OC)c3)N3CCCC3)c([O-])n2n1 ZINC000022853011 570556399 /nfs/dbraw/zinc/55/63/99/570556399.db2.gz HKQIYIYHFMWVEJ-INIZCTEOSA-N -1 0 388.493 3.261 50 0 GGAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1 ZINC000036558986 570565232 /nfs/dbraw/zinc/56/52/32/570565232.db2.gz DKKRXSGHPZBHGX-JEBQAFNWSA-N -1 0 380.510 3.158 50 0 GGAARM CCCOc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c2ccccc12 ZINC000011566068 570576455 /nfs/dbraw/zinc/57/64/55/570576455.db2.gz PKBULHIUMIQWLL-UHFFFAOYSA-N -1 0 377.462 3.114 50 0 GGAARM Cc1cccc(-n2cc(CN(C)Cc3n[nH]c(=O)[n-]3)c(-c3cccc(F)c3)n2)c1 ZINC000012051380 570600844 /nfs/dbraw/zinc/60/08/44/570600844.db2.gz VDDOZCDGGVMPJA-UHFFFAOYSA-N -1 0 392.438 3.030 50 0 GGAARM COc1ccc(-c2noc(CCCC(=O)Nc3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000033000085 570617344 /nfs/dbraw/zinc/61/73/44/570617344.db2.gz PFKOAZANECJSOQ-UHFFFAOYSA-N -1 0 381.388 3.405 50 0 GGAARM O=C([O-])CCC(=O)N1N=C(c2ccsc2)C[C@H]1c1ccc2nccnc2c1 ZINC000012390298 570642849 /nfs/dbraw/zinc/64/28/49/570642849.db2.gz TZHJAHHYRULGQH-KRWDZBQOSA-N -1 0 380.429 3.234 50 0 GGAARM COc1ccc2c(c1)c([C@@H](C(=O)[O-])[N@H+]1C[C@H](C)C[C@H](C)C1)cn2CCC(=O)[O-] ZINC000036369967 570646750 /nfs/dbraw/zinc/64/67/50/570646750.db2.gz CVZYCCJMVMSEJF-MNVSYLFESA-N -1 0 388.464 3.228 50 0 biogenic GGAARM CC1CCN(c2ccc(C(=O)[O-])cc2S(=O)(=O)N2CCC(C)CC2)CC1 ZINC000045795958 570649028 /nfs/dbraw/zinc/64/90/28/570649028.db2.gz NOCJNKJYPDFXEG-UHFFFAOYSA-N -1 0 380.510 3.042 50 0 GGAARM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)o1 ZINC000005579370 570658943 /nfs/dbraw/zinc/65/89/43/570658943.db2.gz FMWXOKVOCVLXPJ-JXMROGBWSA-N -1 0 387.417 3.337 50 0 GGAARM Cc1ccc(-n2cc(CN(C)Cc3n[nH]c(=O)[n-]3)c(-c3ccc(F)cc3)n2)cc1 ZINC000012437790 570662552 /nfs/dbraw/zinc/66/25/52/570662552.db2.gz YXVCSHYYAMRAIH-UHFFFAOYSA-N -1 0 392.438 3.030 50 0 GGAARM CCOC(=O)C[C@H](c1ccc(OC)c(OC)c1)c1c([O-])c2ccccc2[nH]c1=O ZINC000072326112 570674143 /nfs/dbraw/zinc/67/41/43/570674143.db2.gz GCXMHRGTRIZFOX-OAHLLOKOSA-N -1 0 397.427 3.336 50 0 biogenic GGAARM O=C(c1ccco1)N1CCc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1 ZINC000008977151 570684124 /nfs/dbraw/zinc/68/41/24/570684124.db2.gz YCBYCKJAVLYCSN-UHFFFAOYSA-N -1 0 388.470 3.340 50 0 GGAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)c1c(C)onc1-c1ccccc1Cl ZINC000055255861 570689203 /nfs/dbraw/zinc/68/92/03/570689203.db2.gz CXKGCCKVEBRPAH-UHFFFAOYSA-N -1 0 388.811 3.454 50 0 GGAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)c1cccc(-c2nc3ccccc3[nH]2)c1 ZINC000055306901 570690740 /nfs/dbraw/zinc/69/07/40/570690740.db2.gz OMSAZIOSSHJGGQ-UHFFFAOYSA-N -1 0 389.415 3.380 50 0 GGAARM Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)c1 ZINC000000878789 570692149 /nfs/dbraw/zinc/69/21/49/570692149.db2.gz CFCICXMGVPYTEL-UHFFFAOYSA-N -1 0 396.472 3.455 50 0 GGAARM CCSc1nnc(-c2ccccc2NC(=O)c2cccc3c2OCC3)c(=O)[n-]1 ZINC000055402438 570694397 /nfs/dbraw/zinc/69/43/97/570694397.db2.gz JOPZEDWWZUAXQU-UHFFFAOYSA-N -1 0 394.456 3.131 50 0 GGAARM Cc1cccc2[nH]c([C@@H]3CCCN3C(=O)c3ccccc3NCC(=O)[O-])nc21 ZINC000055414506 570695423 /nfs/dbraw/zinc/69/54/23/570695423.db2.gz SBUUGSMBYCBLBK-KRWDZBQOSA-N -1 0 378.432 3.345 50 0 GGAARM CCOc1ccc(/C=C(/NC(=O)c2ccccc2OC)C(=O)[O-])cc1OCC ZINC000012660318 570696421 /nfs/dbraw/zinc/69/64/21/570696421.db2.gz CWGNIQMMXHIKBP-FOWTUZBSSA-N -1 0 385.416 3.348 50 0 GGAARM CCOc1cc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c(OCC)cc1C ZINC000004626104 570703197 /nfs/dbraw/zinc/70/31/97/570703197.db2.gz OPINCUIGWQUTSU-UHFFFAOYSA-N -1 0 375.450 3.470 50 0 GGAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)s1 ZINC000000939851 570731076 /nfs/dbraw/zinc/73/10/76/570731076.db2.gz IMZIKXHQNPRFLZ-UHFFFAOYSA-N -1 0 394.522 3.420 50 0 GGAARM COc1ccc(-c2nc(CC(=O)N[C@H](C(=O)[O-])c3ccccc3)cs2)cc1 ZINC000036575986 570741476 /nfs/dbraw/zinc/74/14/76/570741476.db2.gz SOEGTNMKKPYABA-SFHVURJKSA-N -1 0 382.441 3.303 50 0 GGAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)N2CCCCC2)cc1 ZINC000065364497 570760964 /nfs/dbraw/zinc/76/09/64/570760964.db2.gz DAWIDBSVJDDQJY-UHFFFAOYSA-N -1 0 392.452 3.261 50 0 GGAARM O=C([O-])c1cc(S(=O)(=O)N2CCS[C@H](c3ccccc3)CC2)ccc1F ZINC000206990120 570764020 /nfs/dbraw/zinc/76/40/20/570764020.db2.gz WJLSQEIOJBYCRY-KRWDZBQOSA-N -1 0 395.477 3.393 50 0 GGAARM Cn1cc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccccc5)coc-4c32)cn1 ZINC000524731203 570766147 /nfs/dbraw/zinc/76/61/47/570766147.db2.gz NQZJQTDYCKICOZ-AWEZNQCLSA-N -1 0 388.379 3.340 50 0 biogenic GGAARM COc1cc2c(cc1OC)[C@H](NC(=O)c1c(=O)[nH]c3ccccc3c1[O-])CC2 ZINC000524734869 570772320 /nfs/dbraw/zinc/77/23/20/570772320.db2.gz SBALISXWHGMRIS-OAHLLOKOSA-N -1 0 380.400 3.081 50 0 GGAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(-c2ccc(N3CCCC3)nn2)c1 ZINC000036656640 570781603 /nfs/dbraw/zinc/78/16/03/570781603.db2.gz RVQNNEBZPQOHCQ-UHFFFAOYSA-N -1 0 399.476 3.149 50 0 GGAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3F)cc2)c1C ZINC000005924780 570804182 /nfs/dbraw/zinc/80/41/82/570804182.db2.gz NZHUASSDAPRJME-UHFFFAOYSA-N -1 0 389.408 3.484 50 0 GGAARM O=c1c2[n-][nH]n(Cc3cccc(C(F)(F)F)c3)c=2c(=O)n1-c1ccc(F)cc1 ZINC000004483491 570805157 /nfs/dbraw/zinc/80/51/57/570805157.db2.gz UJWQBMHPPCCLGU-HUUCEWRRSA-N -1 0 392.312 3.338 50 0 GGAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)CSc2nc3ccccc3o2)cc1 ZINC000004653861 570806737 /nfs/dbraw/zinc/80/67/37/570806737.db2.gz HYGCSHWVGQTQNO-HNNXBMFYSA-N -1 0 386.429 3.261 50 0 GGAARM CCC(NCCc1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000005977406 570810643 /nfs/dbraw/zinc/81/06/43/570810643.db2.gz PNGWIDSVGDZQCQ-HNENSFHCSA-N -1 0 377.444 3.074 50 0 GGAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cc(C)ccc4C)c=3c2=O)cc1Cl ZINC000101417891 570822725 /nfs/dbraw/zinc/82/27/25/570822725.db2.gz HKJXTJIJQMMCNG-ZWKOTPCHSA-N -1 0 398.850 3.459 50 0 GGAARM CC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000014223842 570831534 /nfs/dbraw/zinc/83/15/34/570831534.db2.gz VVGDEMSJYDJKHM-UHFFFAOYSA-N -1 0 384.461 3.248 50 0 GGAARM C/C(=C/C(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2nccs2)cc1)C(=O)[O-] ZINC000037018957 570833157 /nfs/dbraw/zinc/83/31/57/570833157.db2.gz LWZRHOPKWVJDPJ-JUDLJHIGSA-N -1 0 391.474 3.232 50 0 GGAARM C[C@@H]1CCC[C@@H](NC(=S)N[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)[C@H]1C ZINC000102628181 570855092 /nfs/dbraw/zinc/85/50/92/570855092.db2.gz IHOUTULNJLPZEY-JKIFEVAISA-N -1 0 397.610 3.466 50 0 GGAARM Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cccnc3)[C@@H]2C1=O ZINC000102730675 570859440 /nfs/dbraw/zinc/85/94/40/570859440.db2.gz OKIOGBUHXQLPFA-PCCBWWKXSA-N -1 0 385.423 3.441 50 0 GGAARM O=C([O-])C1=Nc2c(C(=O)Nc3cccc(F)c3)cnn2[C@H](c2ccccc2F)C1 ZINC000102810852 570865321 /nfs/dbraw/zinc/86/53/21/570865321.db2.gz XGSYOGBERTWXPU-KRWDZBQOSA-N -1 0 396.353 3.397 50 0 GGAARM COC(=O)C[C@@H](NC(=O)CCC(=O)[O-])c1ccc(F)c(Oc2ccccc2)c1 ZINC000004550613 570896778 /nfs/dbraw/zinc/89/67/78/570896778.db2.gz AWTYLCIJESKGFS-MRXNPFEDSA-N -1 0 389.379 3.203 50 0 GGAARM CCn1c2ncc(C(=O)[O-])cc2nc1-c1ccc([C@H](C)N2CCOCC2)cc1 ZINC000534656082 570915705 /nfs/dbraw/zinc/91/57/05/570915705.db2.gz KTBSJTPCDMWQJH-AWEZNQCLSA-N -1 0 380.448 3.210 50 0 GGAARM COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000023157296 570920193 /nfs/dbraw/zinc/92/01/93/570920193.db2.gz IGYFOWGPMVMYAL-MQIPJXDCSA-N -1 0 388.493 3.012 50 0 GGAARM COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000023157294 570920301 /nfs/dbraw/zinc/92/03/01/570920301.db2.gz IGYFOWGPMVMYAL-OZVIIMIRSA-N -1 0 388.493 3.012 50 0 GGAARM COc1cccc([C@@H](c2sc3nc(C)nn3c2[O-])N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000023157889 570920926 /nfs/dbraw/zinc/92/09/26/570920926.db2.gz SSWVLZVKMZTSHP-OZVIIMIRSA-N -1 0 388.493 3.012 50 0 GGAARM CCCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(CC)cc(=O)oc2c1C)C(=O)[O-] ZINC000004046642 570924990 /nfs/dbraw/zinc/92/49/90/570924990.db2.gz MBSGLPJJKZLHQA-BBRMVZONSA-N -1 0 389.448 3.191 50 0 biogenic GGAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ncn(Cc3cccc(F)c3)n2)c1C ZINC000017079308 570926982 /nfs/dbraw/zinc/92/69/82/570926982.db2.gz CVTBPDRJDBLVAU-UHFFFAOYSA-N -1 0 388.468 3.500 50 0 GGAARM Cc1nc2sc([C@@H](c3ccccc3F)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000017144236 570928630 /nfs/dbraw/zinc/92/86/30/570928630.db2.gz KAFKJQQPXJZZJI-JRPNMDOOSA-N -1 0 376.457 3.143 50 0 GGAARM O=C([O-])[C@@H](Cc1ncccn1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000226811748 570936745 /nfs/dbraw/zinc/93/67/45/570936745.db2.gz ZYEBSBDLCHRWNS-LJQANCHMSA-N -1 0 389.411 3.011 50 0 GGAARM Cc1oc2c(cc3c(C)c(CCC(=O)N[C@@H](C)C(=O)[O-])c(=O)oc3c2C)c1C ZINC000002100711 570942199 /nfs/dbraw/zinc/94/21/99/570942199.db2.gz DKQWZWFPKLPPNN-LBPRGKRZSA-N -1 0 385.416 3.295 50 0 biogenic GGAARM Cc1coc2cc3oc(=O)c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c3cc12 ZINC000002104808 570946697 /nfs/dbraw/zinc/94/66/97/570946697.db2.gz UHYNCVMESAJNRK-INIZCTEOSA-N -1 0 385.416 3.314 50 0 biogenic GGAARM CCC[C@H](NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002105179 570946729 /nfs/dbraw/zinc/94/67/29/570946729.db2.gz XYQYCALRXSYJIZ-INIZCTEOSA-N -1 0 385.416 3.376 50 0 biogenic GGAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)N[C@@H](C)C(=O)[O-])oc1c3CCCC1 ZINC000002105583 570948187 /nfs/dbraw/zinc/94/81/87/570948187.db2.gz LVDVELPSMYNOFP-LBPRGKRZSA-N -1 0 397.427 3.248 50 0 biogenic GGAARM CCOc1ccc(S(=O)(=O)[N-]C(=O)N(C)Cc2cc3ccccc3o2)cc1 ZINC000001273700 570952617 /nfs/dbraw/zinc/95/26/17/570952617.db2.gz BTBSPVAKPPANLF-UHFFFAOYSA-N -1 0 388.445 3.362 50 0 GGAARM COc1ccc(CNC(=O)Cc2c(C)c3cc(Cl)c([O-])cc3oc2=O)cc1 ZINC000004742959 570956807 /nfs/dbraw/zinc/95/68/07/570956807.db2.gz IINCMTQFPHZBFR-UHFFFAOYSA-N -1 0 387.819 3.328 50 0 GGAARM CCC12CN3CC(CC)(CN(C1)C3c1cn(CCC(=O)[O-])c3ccccc13)C2=O ZINC000032123768 570963470 /nfs/dbraw/zinc/96/34/70/570963470.db2.gz GIBVPQBEMPJJED-UHFFFAOYSA-N -1 0 395.503 3.121 50 0 biogenic GGAARM CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000002148454 570972250 /nfs/dbraw/zinc/97/22/50/570972250.db2.gz GDLHEECSLQKGOI-SRBZOADZSA-N -1 0 389.448 3.047 50 0 biogenic GGAARM CCCC[C@H](NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)[O-] ZINC000002152960 570973038 /nfs/dbraw/zinc/97/30/38/570973038.db2.gz HFMIDTLQURAZSF-INIZCTEOSA-N -1 0 385.416 3.458 50 0 biogenic GGAARM O=C([N-]c1ccc(Cl)cc1)c1c(C(=O)Nc2ccc(Cl)cc2)no[n+]1[O-] ZINC000004776119 570979510 /nfs/dbraw/zinc/97/95/10/570979510.db2.gz PQPJKLTXGLIYMF-UHFFFAOYSA-N -1 0 393.186 3.119 50 0 GGAARM COC(=O)[C@]([N-]C(=O)C(F)(F)F)(c1c(C)[nH]c2ccccc21)C(F)(F)F ZINC000004776758 570984845 /nfs/dbraw/zinc/98/48/45/570984845.db2.gz XRLCSDRCGCVJAB-CYBMUJFWSA-N -1 0 382.260 3.085 50 0 GGAARM CC1(C)CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C(=O)[O-])CO1 ZINC000725240743 570994789 /nfs/dbraw/zinc/99/47/89/570994789.db2.gz ZTEUKEQTBSTKNW-LJQANCHMSA-N -1 0 381.428 3.500 50 0 GGAARM COc1ccc(-c2cc(C(=O)N[C@@H](C)C(=O)[O-])c3ccccc3n2)cc1OC ZINC000040309997 597009185 /nfs/dbraw/zinc/00/91/85/597009185.db2.gz HGHRQEIEQLDTLM-LBPRGKRZSA-N -1 0 380.400 3.122 50 0 biogenic GGAARM O=C([O-])CC[C@@H](NC(=O)c1cc(N2CCCC2=O)ccc1F)c1ccccc1 ZINC000139418648 600839423 /nfs/dbraw/zinc/83/94/23/600839423.db2.gz RLHWVSOPENYYOE-GOSISDBHSA-N -1 0 384.407 3.288 50 0 GGAARM COCc1oc2ccc([N-]S(=O)(=O)c3cccs3)cc2c1C(=O)OC ZINC000001135715 1398301368 /nfs/dbraw/zinc/30/13/68/1398301368.db2.gz PTJDZYMAFMXADW-UHFFFAOYSA-N -1 0 381.431 3.228 50 0 GGAARM CSCC[C@H](NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1)C(=O)[O-] ZINC000004089019 1398380013 /nfs/dbraw/zinc/38/00/13/1398380013.db2.gz NTJKURAXZRNXPI-KRWDZBQOSA-N -1 0 397.452 3.396 50 0 biogenic GGAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 ZINC000004270508 1398388422 /nfs/dbraw/zinc/38/84/22/1398388422.db2.gz UUCZSIMAEZFWBV-UHFFFAOYSA-N -1 0 386.473 3.112 50 0 GGAARM CCOc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3)[n-]c2=O)cc1 ZINC000004317290 1398392575 /nfs/dbraw/zinc/39/25/75/1398392575.db2.gz JBNCXJAEFRJOMH-UHFFFAOYSA-N -1 0 396.472 3.298 50 0 GGAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000004810246 1398403872 /nfs/dbraw/zinc/40/38/72/1398403872.db2.gz ZAXMGUJWDUXQID-MOPGFXCFSA-N -1 0 380.444 3.446 50 0 GGAARM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc21 ZINC000008768723 1398846135 /nfs/dbraw/zinc/84/61/35/1398846135.db2.gz YJNUHQRIAZOEML-UHFFFAOYSA-N -1 0 380.416 3.455 50 0 GGAARM CCC(Nc1cc(OC)ccc1OC)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000008969518 1398850867 /nfs/dbraw/zinc/85/08/67/1398850867.db2.gz LODYCBMTXNEDRM-OBGWFSINSA-N -1 0 395.415 3.063 50 0 GGAARM CCC(Nc1ccc(NC(C)=O)cc1)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000008994945 1398851657 /nfs/dbraw/zinc/85/16/57/1398851657.db2.gz VRAMPRLHSFXQCE-ISLYRVAYSA-N -1 0 398.463 3.132 50 0 GGAARM COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4ccccc4N4CCC[C@@H]43)C2=O)cc1 ZINC000009016146 1398852066 /nfs/dbraw/zinc/85/20/66/1398852066.db2.gz XJEGMQBLQAUOMZ-GCJKJVERSA-N -1 0 391.427 3.330 50 0 biogenic GGAARM COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4ccccc4N4CCC[C@@H]43)C2=O)cc1 ZINC000009016145 1398852134 /nfs/dbraw/zinc/85/21/34/1398852134.db2.gz XJEGMQBLQAUOMZ-XMSQKQJNSA-N -1 0 391.427 3.330 50 0 biogenic GGAARM CCC(NNc1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000009087850 1398853733 /nfs/dbraw/zinc/85/37/33/1398853733.db2.gz LUUUXPHCAVOEFA-WUKNDPDISA-N -1 0 380.404 3.399 50 0 GGAARM Cc1sc2[nH]c(SCC(=O)Nc3cccc(C(=O)[O-])c3)nc(=O)c2c1C ZINC000009169326 1398854512 /nfs/dbraw/zinc/85/45/12/1398854512.db2.gz ORANHBYVJOBPJF-UHFFFAOYSA-N -1 0 389.458 3.030 50 0 GGAARM Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cccc(C(=O)[O-])c2)C1=O ZINC000009233086 1398855265 /nfs/dbraw/zinc/85/52/65/1398855265.db2.gz FRILDRSTDDARMX-MHWRWJLKSA-N -1 0 396.424 3.368 50 0 GGAARM Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)[N-]C(=O)N(c2c(C)cc(C)cc2C)C1=O ZINC000009359548 1398857535 /nfs/dbraw/zinc/85/75/35/1398857535.db2.gz YRFCFNJYODSOHX-QHCPKHFHSA-N -1 0 391.471 3.182 50 0 GGAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)N(C)CCc1ccccn1 ZINC000009421978 1398858267 /nfs/dbraw/zinc/85/82/67/1398858267.db2.gz BKGKLIQIPYVQFJ-UHFFFAOYSA-N -1 0 386.835 3.099 50 0 GGAARM Cc1[nH]nc(-c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)s2)c1C ZINC000009686802 1398863746 /nfs/dbraw/zinc/86/37/46/1398863746.db2.gz OEHAUMUZELPBLH-UHFFFAOYSA-N -1 0 391.474 3.327 50 0 GGAARM O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000012360657 1399039985 /nfs/dbraw/zinc/03/99/85/1399039985.db2.gz LQJQYLPKLBSANF-ZNMIVQPWSA-N -1 0 386.477 3.042 50 0 GGAARM O=C([O-])C1CCC(CNC(=O)Cc2csc(-c3ccccc3F)n2)CC1 ZINC000020721635 1399351938 /nfs/dbraw/zinc/35/19/38/1399351938.db2.gz SHMOTKWDADWQIA-UHFFFAOYSA-N -1 0 376.453 3.499 50 0 GGAARM O=C([N-]S(=O)(=O)c1ccccc1Cl)Nc1ccccc1OC(F)F ZINC000022016182 1399431735 /nfs/dbraw/zinc/43/17/35/1399431735.db2.gz CZOVOUUFNKGFJB-UHFFFAOYSA-N -1 0 376.768 3.452 50 0 GGAARM CCN1CCN([C@H](c2ccco2)c2sc3nc(-c4ccco4)nn3c2[O-])CC1 ZINC000022577436 1399479076 /nfs/dbraw/zinc/47/90/76/1399479076.db2.gz OQAWCUAWQLVTCJ-OAHLLOKOSA-N -1 0 399.476 3.076 50 0 GGAARM CCc1nc2sc([C@H](c3ccccc3Cl)N3CCN(C)CC3)c([O-])n2n1 ZINC000022577806 1399479277 /nfs/dbraw/zinc/47/92/77/1399479277.db2.gz LVMYEXCANWIJGI-HNNXBMFYSA-N -1 0 391.928 3.049 50 0 GGAARM Cc1ccc(NC(=O)C[C@@H](SCC(=O)Nc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000027825375 1400097019 /nfs/dbraw/zinc/09/70/19/1400097019.db2.gz VUBKADRRSIPZMV-MRXNPFEDSA-N -1 0 390.436 3.288 50 0 GGAARM Cc1ccc(NC(=O)C[C@H](SCC(=O)Nc2ccc(F)cc2)C(=O)[O-])cc1 ZINC000027825384 1400097179 /nfs/dbraw/zinc/09/71/79/1400097179.db2.gz VUBKADRRSIPZMV-INIZCTEOSA-N -1 0 390.436 3.288 50 0 GGAARM C[C@H]1CCCCN1C(=O)c1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1 ZINC000057119377 1407523261 /nfs/dbraw/zinc/52/32/61/1407523261.db2.gz SNRMYAQCUZOVEN-AWEZNQCLSA-N -1 0 398.488 3.378 50 0 GGAARM CC[C@H](C)[C@H](NC(=O)CCn1ccc2c1cccc2Br)C(=O)[O-] ZINC000071745151 1409823868 /nfs/dbraw/zinc/82/38/68/1409823868.db2.gz AAUYDHONFRIVEV-ZBEGNZNMSA-N -1 0 381.270 3.409 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)Cn2ccc3c2cccc3OC)sc1C(C)C ZINC000079486600 1409978617 /nfs/dbraw/zinc/97/86/17/1409978617.db2.gz XQFUSXJVEWCQFM-UHFFFAOYSA-N -1 0 387.461 3.077 50 0 GGAARM COC(=O)C[C@H](c1ccc(-c2cccc(C(=O)[O-])c2)o1)c1oc(C)cc(=O)c1O ZINC000096113783 1410323287 /nfs/dbraw/zinc/32/32/87/1410323287.db2.gz WCFZTAMJWUTFFS-CQSZACIVSA-N -1 0 398.367 3.307 50 0 biogenic GGAARM Cc1c(-c2ccccc2)nn2c1ncc(C(=O)Nc1cccc(C(=O)[O-])c1)c2N ZINC000105892549 1411129131 /nfs/dbraw/zinc/12/91/31/1411129131.db2.gz VQDRNQFIEZCPFW-UHFFFAOYSA-N -1 0 387.399 3.068 50 0 GGAARM O=C(c1ccccc1-c1nn[n-]n1)N1CCC[C@@H](CCc2ccccc2F)C1 ZINC000071415740 1423378502 /nfs/dbraw/zinc/37/85/02/1423378502.db2.gz JEIWKDRDJMCFDM-HNNXBMFYSA-N -1 0 379.439 3.491 50 0 GGAARM Cc1c2cc(Cl)c(OCc3nn[n-]n3)cc2oc(=O)c1Cc1ccccc1 ZINC000002450594 1424474718 /nfs/dbraw/zinc/47/47/18/1424474718.db2.gz MEOQOYMAWZMAEP-UHFFFAOYSA-N -1 0 382.807 3.438 50 0 GGAARM C[C@H](c1ccc(C(=O)Nc2ccc(Oc3nnn[n-]3)cc2)o1)[NH+]1CCCCC1 ZINC000952979754 1424976992 /nfs/dbraw/zinc/97/69/92/1424976992.db2.gz RNOVXZORABJYNR-CYBMUJFWSA-N -1 0 382.424 3.384 50 0 GGAARM O=C([O-])C1(Oc2ccc(Cl)cc2)CCN(C(=O)CCc2cccnc2)CC1 ZINC000199352104 1433352812 /nfs/dbraw/zinc/35/28/12/1433352812.db2.gz HQDUAFWVFDXJAN-UHFFFAOYSA-N -1 0 388.851 3.192 50 0 GGAARM CC1(C)CC(=O)c2ccc3c(c2O1)[C@H](c1ccccc1OCC(=O)[O-])CC(=O)O3 ZINC000217901628 1433364556 /nfs/dbraw/zinc/36/45/56/1433364556.db2.gz JIWCDDYBZASUCH-AWEZNQCLSA-N -1 0 396.395 3.335 50 0 biogenic GGAARM CC[C@@](CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)(OC)c1ccccc1 ZINC000227685042 1433370142 /nfs/dbraw/zinc/37/01/42/1433370142.db2.gz YLGNPOYYKRPTCB-YYWHXJBOSA-N -1 0 393.549 3.253 50 0 GGAARM CC[C@](CNS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)(OC)c1ccccc1 ZINC000227685049 1433370351 /nfs/dbraw/zinc/37/03/51/1433370351.db2.gz YLGNPOYYKRPTCB-DZFGPLHGSA-N -1 0 393.549 3.253 50 0 GGAARM COc1ccccc1C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1nnn[n-]1 ZINC000005486139 1446798496 /nfs/dbraw/zinc/79/84/96/1446798496.db2.gz WLQZTVQBKUWRON-AWEZNQCLSA-N -1 0 391.353 3.192 50 0 GGAARM O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000003874282 956868905 /nfs/dbraw/zinc/86/89/05/956868905.db2.gz JBYHBQIDTNHWJF-FQEVSTJZSA-N -1 0 381.453 3.328 50 0 GGAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)CCC(=O)N3CCCCCC3)C2)cc1 ZINC000095352628 230976225 /nfs/dbraw/zinc/97/62/25/230976225.db2.gz QCTHWFWIJGTEHL-IBGZPJMESA-N -1 0 386.492 3.274 50 0 GGAARM Cc1nn2c(nc1=O)-c1ccccc1N[C@]2(/C=C/c1ccc(Cl)cc1)C(=O)[O-] ZINC000408525825 231050173 /nfs/dbraw/zinc/05/01/73/231050173.db2.gz RWGYGISFIBSWAT-CFGKVWFZSA-N -1 0 394.818 3.143 50 0 GGAARM C[C@@H](CC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@@]21C ZINC000257347741 222779783 /nfs/dbraw/zinc/77/97/83/222779783.db2.gz SHUYNJFEXPRUGR-RNFLZUAJSA-N -1 0 394.552 3.059 50 0 GGAARM C[C@@H](CC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]21C ZINC000257347740 222780036 /nfs/dbraw/zinc/78/00/36/222780036.db2.gz SHUYNJFEXPRUGR-QUOUFOCXSA-N -1 0 394.552 3.059 50 0 GGAARM CSc1nnc2c(n1)O[C@H](c1ccccc1OCC(=O)[O-])Nc1ccccc1-2 ZINC000001514897 212249371 /nfs/dbraw/zinc/24/93/71/212249371.db2.gz LOYVMKNCYVUVJI-QGZVFWFLSA-N -1 0 396.428 3.227 50 0 GGAARM O=C1c2ccccc2N[C@@H](c2ccccc2)N1[N-]S(=O)(=O)c1ccccc1 ZINC000001441627 212245260 /nfs/dbraw/zinc/24/52/60/212245260.db2.gz ZTQWHZCHQRNPHY-LJQANCHMSA-N -1 0 379.441 3.147 50 0 GGAARM O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)OCc1ccccc1 ZINC000009762031 212239428 /nfs/dbraw/zinc/23/94/28/212239428.db2.gz LABHHJYYUGKVIW-UHFFFAOYSA-N -1 0 396.877 3.287 50 0 GGAARM O=C1c2ccccc2N[C@H](c2cccs2)N1[N-]S(=O)(=O)c1ccccc1 ZINC000001441642 212244433 /nfs/dbraw/zinc/24/44/33/212244433.db2.gz PVYZHEUTIULHJH-KRWDZBQOSA-N -1 0 385.470 3.208 50 0 GGAARM Cc1noc([N-]S(=O)(=O)c2ccc(N[C@H]3OC(=O)c4ccccc43)cc2)c1C ZINC000001414962 212243606 /nfs/dbraw/zinc/24/36/06/212243606.db2.gz PNHPHVGLHJXOBL-SFHVURJKSA-N -1 0 399.428 3.373 50 0 GGAARM O=C1NCCCc2c3c(cc(Br)c([O-])c3Br)oc21 ZINC000001423155 212243043 /nfs/dbraw/zinc/24/30/43/212243043.db2.gz AJBFRFDRURUSAE-UHFFFAOYSA-N -1 0 375.016 3.339 50 0 GGAARM COc1ccc(S(=O)(=O)Nc2ccc(OCC(=O)[O-])cc2)c2ccccc12 ZINC000001427450 212242755 /nfs/dbraw/zinc/24/27/55/212242755.db2.gz AYCSIHGRLOULLG-UHFFFAOYSA-N -1 0 387.413 3.113 50 0 GGAARM O=C(O[C@@H]1C[C@H]([N-]C(=O)C(F)(F)F)c2cc3c(cc21)OCO3)c1cccs1 ZINC000001399357 212242327 /nfs/dbraw/zinc/24/23/27/212242327.db2.gz LFDFBEIBQHLALV-WDEREUQCSA-N -1 0 399.346 3.498 50 0 GGAARM Cc1ccc(NC(=O)Cc2csc([N-]S(=O)(=O)c3ccccc3)n2)cc1 ZINC000009829537 212235541 /nfs/dbraw/zinc/23/55/41/212235541.db2.gz ACWLCSOGHYYHIZ-UHFFFAOYSA-N -1 0 387.486 3.434 50 0 GGAARM [O-]C(c1cccs1)=C1[C@H](c2cccs2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000001314446 212235416 /nfs/dbraw/zinc/23/54/16/212235416.db2.gz XMMPUZPGAPNETH-KWBADKCTSA-N -1 0 392.449 3.078 50 0 GGAARM CCCn1c(=O)c(C(=O)Nc2ccsc2C(=O)OC)c([O-])c2ccccc21 ZINC000001288686 212234522 /nfs/dbraw/zinc/23/45/22/212234522.db2.gz JYOUTYFJYLYQHU-UHFFFAOYSA-N -1 0 386.429 3.218 50 0 GGAARM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000001127151 212220025 /nfs/dbraw/zinc/22/00/25/212220025.db2.gz LDBRNPORLIZBIF-UHFFFAOYSA-N -1 0 376.253 3.098 50 0 GGAARM Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)n2C)cc1 ZINC000001148538 212222866 /nfs/dbraw/zinc/22/28/66/212222866.db2.gz WENGLYBXQXVWHY-UHFFFAOYSA-N -1 0 382.445 3.220 50 0 GGAARM CC1=CC(=C2C(=O)[N-]C(=O)NC2=O)C=C(C(F)(F)F)N1Cc1ccccc1 ZINC000001147244 212222901 /nfs/dbraw/zinc/22/29/01/212222901.db2.gz SPYNGOGANWGWIE-UHFFFAOYSA-N -1 0 377.322 3.355 50 0 GGAARM Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)n2C)c1 ZINC000001141953 212222062 /nfs/dbraw/zinc/22/20/62/212222062.db2.gz RDPLIQUCYHLIBJ-UHFFFAOYSA-N -1 0 382.445 3.220 50 0 GGAARM CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Br)c1O[C@H](C)CC ZINC000001093474 212216860 /nfs/dbraw/zinc/21/68/60/212216860.db2.gz NLPPXAWAXMCPPW-SZJBZFAYSA-N -1 0 383.242 3.205 50 0 GGAARM COc1ccc(C(=O)Nc2ccccc2)cc1S(=O)(=O)[N-]c1cc(C)on1 ZINC000001116804 212219419 /nfs/dbraw/zinc/21/94/19/212219419.db2.gz IKLSOEPTALVFOD-UHFFFAOYSA-N -1 0 387.417 3.045 50 0 GGAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccco3)cc2)c1C ZINC000001117116 212218625 /nfs/dbraw/zinc/21/86/25/212218625.db2.gz ULEAKUAKXZTCRY-JXMROGBWSA-N -1 0 387.417 3.337 50 0 GGAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000001019560 212206261 /nfs/dbraw/zinc/20/62/61/212206261.db2.gz KWJZSNHRUQYPRV-ROUUACIJSA-N -1 0 392.455 3.265 50 0 GGAARM COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000000952698 212200252 /nfs/dbraw/zinc/20/02/52/212200252.db2.gz HLHPAWUTLXSMQX-UHFFFAOYSA-N -1 0 389.458 3.205 50 0 GGAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000001019561 212205254 /nfs/dbraw/zinc/20/52/54/212205254.db2.gz KWJZSNHRUQYPRV-MSOLQXFVSA-N -1 0 392.455 3.265 50 0 GGAARM CCOC(=O)[N-]S(=O)(=O)c1cnccc1Nc1cccc(C(F)(F)F)c1 ZINC000000987816 212202900 /nfs/dbraw/zinc/20/29/00/212202900.db2.gz INZIXSXWHAVVFS-UHFFFAOYSA-N -1 0 389.355 3.279 50 0 GGAARM O=S(=O)([N-]c1nnc(C(F)(F)F)s1)c1ccc(Br)cc1 ZINC000000986244 212202429 /nfs/dbraw/zinc/20/24/29/212202429.db2.gz VIWDEGWJZAJZNR-UHFFFAOYSA-N -1 0 388.190 3.120 50 0 GGAARM O=C([O-])c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 ZINC000000991292 212202273 /nfs/dbraw/zinc/20/22/73/212202273.db2.gz VTVIDRCEJYXOGS-UHFFFAOYSA-N -1 0 386.363 3.438 50 0 GGAARM CCOc1ccc(N[C@H]2SC(=O)N(Cc3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000001018904 212206311 /nfs/dbraw/zinc/20/63/11/212206311.db2.gz DCUVCSLUHINRMH-INIZCTEOSA-N -1 0 386.429 3.417 50 0 GGAARM O=C([O-])c1ccccc1NC1=C(Cl)C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000000946322 212198970 /nfs/dbraw/zinc/19/89/70/212198970.db2.gz MPNYGWJBVDPBJY-UHFFFAOYSA-N -1 0 377.183 3.474 50 0 GGAARM O=C([O-])c1cccc(NC2=C(Cl)C(=O)N(c3ccc(Cl)cc3)C2=O)c1 ZINC000000946321 212199001 /nfs/dbraw/zinc/19/90/01/212199001.db2.gz ILKWXCNMIXGSRK-UHFFFAOYSA-N -1 0 377.183 3.474 50 0 GGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3c(F)cccc3F)cc2)no1 ZINC000000945088 212197979 /nfs/dbraw/zinc/19/79/79/212197979.db2.gz PUBBAINBAHQQDA-UHFFFAOYSA-N -1 0 393.371 3.314 50 0 GGAARM O=C(CCCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000917572 212195486 /nfs/dbraw/zinc/19/54/86/212195486.db2.gz ZQSAXJFAPXRMTE-UHFFFAOYSA-N -1 0 396.472 3.239 50 0 GGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(Cl)cc1 ZINC000000851999 212189807 /nfs/dbraw/zinc/18/98/07/212189807.db2.gz KBRNRODMIUBDFT-UHFFFAOYSA-N -1 0 388.836 3.183 50 0 GGAARM O=C([O-])c1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)cc1 ZINC000000855896 212189642 /nfs/dbraw/zinc/18/96/42/212189642.db2.gz LECNVFAJPSSHGC-UHFFFAOYSA-N -1 0 381.409 3.470 50 0 GGAARM O=C([N-]S(=O)(=O)c1ccccc1Cl)Nc1ccn(-c2ccccc2)n1 ZINC000000828899 212187553 /nfs/dbraw/zinc/18/75/53/212187553.db2.gz HIPUGURJBJGMFQ-UHFFFAOYSA-N -1 0 376.825 3.036 50 0 GGAARM O=C([O-])c1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)c1 ZINC000000754840 212179944 /nfs/dbraw/zinc/17/99/44/212179944.db2.gz ABZSGEXLJUOXER-UHFFFAOYSA-N -1 0 396.424 3.438 50 0 GGAARM COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000000814197 212183868 /nfs/dbraw/zinc/18/38/68/212183868.db2.gz KRVICACSJWJPQI-UHFFFAOYSA-N -1 0 387.417 3.045 50 0 GGAARM O=C([O-])c1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)cc1 ZINC000000811310 212183936 /nfs/dbraw/zinc/18/39/36/212183936.db2.gz QWDQHXAFPWBCCP-QGOAFFKASA-N -1 0 376.368 3.387 50 0 GGAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)nn(-c3ccccc3)c2C)cc1 ZINC000000812410 212183610 /nfs/dbraw/zinc/18/36/10/212183610.db2.gz ARKKDNWYJTWCHW-UHFFFAOYSA-N -1 0 384.461 3.248 50 0 GGAARM CCOC(=O)C1CCN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])CC1 ZINC000000799499 212182217 /nfs/dbraw/zinc/18/22/17/212182217.db2.gz RPUXDCXAIQGLCS-UHFFFAOYSA-N -1 0 381.428 3.467 50 0 GGAARM O=C([O-])c1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000000752482 212179689 /nfs/dbraw/zinc/17/96/89/212179689.db2.gz GTBMUTLCUKMTJR-UHFFFAOYSA-N -1 0 386.363 3.438 50 0 GGAARM CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)s1 ZINC000000755074 212179230 /nfs/dbraw/zinc/17/92/30/212179230.db2.gz RIXDXDJYMYXHBD-UHFFFAOYSA-N -1 0 388.474 3.154 50 0 GGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(F)cc1 ZINC000000663378 212171059 /nfs/dbraw/zinc/17/10/59/212171059.db2.gz BSWBUBIXAPWDCK-UHFFFAOYSA-N -1 0 377.422 3.335 50 0 GGAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@H](C)CC)cc1 ZINC000000665479 212170434 /nfs/dbraw/zinc/17/04/34/212170434.db2.gz NBVFMPOWRMVMRD-CQSZACIVSA-N -1 0 376.478 3.414 50 0 GGAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000000627510 212165853 /nfs/dbraw/zinc/16/58/53/212165853.db2.gz JLLQRJMHANEIOZ-IRXDYDNUSA-N -1 0 380.444 3.446 50 0 GGAARM Nc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCCCC2)cc1 ZINC000000638901 212167848 /nfs/dbraw/zinc/16/78/48/212167848.db2.gz PISYDPWKEWIDJD-UHFFFAOYSA-N -1 0 383.477 3.003 50 0 GGAARM CC1(C)COc2cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc2NC1=O ZINC000009168875 212163257 /nfs/dbraw/zinc/16/32/57/212163257.db2.gz YXHMEIHHRNDVHP-UHFFFAOYSA-N -1 0 382.388 3.123 50 0 GGAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)s1 ZINC000009170028 212164814 /nfs/dbraw/zinc/16/48/14/212164814.db2.gz LHEPDZRWLWZBGC-UHFFFAOYSA-N -1 0 394.518 3.493 50 0 GGAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C(N)=O)c1=O ZINC000100701480 212157598 /nfs/dbraw/zinc/15/75/98/212157598.db2.gz ZFGSFFRHWKXHIV-UHFFFAOYSA-N -1 0 393.443 3.249 50 0 biogenic GGAARM O=C([O-])[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000002583785 212146299 /nfs/dbraw/zinc/14/62/99/212146299.db2.gz JBYHBQIDTNHWJF-HXUWFJFHSA-N -1 0 381.453 3.328 50 0 in-vitro GGAARM CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCCCCC(=O)[O-])ccc12 ZINC000002137338 212145220 /nfs/dbraw/zinc/14/52/20/212145220.db2.gz GPOSOKOHUKCGOL-AWEZNQCLSA-N -1 0 389.448 3.274 50 0 biogenic GGAARM CC(C)COc1ccc(C(=O)N/C(=C/c2ccc3c(c2)OCO3)C(=O)[O-])cc1 ZINC000000877335 212143247 /nfs/dbraw/zinc/14/32/47/212143247.db2.gz XILQAKHRDQLJSJ-RQZCQDPDSA-N -1 0 383.400 3.306 50 0 biogenic GGAARM C[C@H]1Cc2cccc3c2n1c(=O)c(C(=O)NCCc1ccc(Cl)cc1)c3[O-] ZINC000299738279 212142531 /nfs/dbraw/zinc/14/25/31/212142531.db2.gz QNKJGMGLDFJSHM-LBPRGKRZSA-N -1 0 382.847 3.450 50 0 GGAARM C[C@@H]1Cc2cccc3c2n1c(=O)c(C(=O)NCCc1ccc(Cl)cc1)c3[O-] ZINC000299738278 212142169 /nfs/dbraw/zinc/14/21/69/212142169.db2.gz QNKJGMGLDFJSHM-GFCCVEGCSA-N -1 0 382.847 3.450 50 0 GGAARM O=C(Cc1csc(-c2ccccc2F)n1)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000245256760 212134683 /nfs/dbraw/zinc/13/46/83/212134683.db2.gz SHMOTKWDADWQIA-JOCQHMNTSA-N -1 0 376.453 3.499 50 0 GGAARM COc1ccc(-c2nc(CC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)cs2)cc1 ZINC000238950709 212133493 /nfs/dbraw/zinc/13/34/93/212133493.db2.gz ZLNKEHLSTMJTEV-CTYIDZIISA-N -1 0 388.489 3.368 50 0 GGAARM Cc1nc2sc([C@H](c3ccccc3F)N3C[C@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000227779727 212115969 /nfs/dbraw/zinc/11/59/69/212115969.db2.gz KAFKJQQPXJZZJI-PGUXBMHVSA-N -1 0 376.457 3.143 50 0 GGAARM COC(=O)C[C@H](c1coc2ccc(Cl)cc2c1=O)c1c([O-])cc(C)oc1=O ZINC000217991288 212113097 /nfs/dbraw/zinc/11/30/97/212113097.db2.gz COBPMAGIGGWOOI-LLVKDONJSA-N -1 0 390.775 3.109 50 0 biogenic GGAARM Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000334160947 212107355 /nfs/dbraw/zinc/10/73/55/212107355.db2.gz PLDSPANMGJZYSP-GOSISDBHSA-N -1 0 397.862 3.393 50 0 GGAARM CCOC(=O)c1c(C)c(I)[nH]c1C(=O)OC(C)(C)C ZINC000000638814 212099522 /nfs/dbraw/zinc/09/95/22/212099522.db2.gz LYZAXIZGUPQXFA-UHFFFAOYSA-N -1 0 379.194 3.060 50 0 GGAARM O=C([O-])COc1ccc(NC(=O)c2cccc(I)c2)cc1 ZINC000001064910 220475943 /nfs/dbraw/zinc/47/59/43/220475943.db2.gz UAUORWUDPWASDD-UHFFFAOYSA-N -1 0 397.168 3.007 50 0 GGAARM CC(=O)N[C@H](CS[C@H](CC(=O)c1ccc(C)cc1)c1ccco1)C(=O)[O-] ZINC000001896359 220500666 /nfs/dbraw/zinc/50/06/66/220500666.db2.gz YOGOGWMOYMTWKT-CRAIPNDOSA-N -1 0 375.446 3.225 50 0 GGAARM CCCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-] ZINC000002098074 220502957 /nfs/dbraw/zinc/50/29/57/220502957.db2.gz UIAFHEIBYFAFLF-ZBFHGGJFSA-N -1 0 389.448 3.245 50 0 biogenic GGAARM Cc1c2oc3c(c2cc2c(C)c(CC(=O)NCCC(=O)[O-])c(=O)oc12)CCCC3 ZINC000002104070 220503558 /nfs/dbraw/zinc/50/35/58/220503558.db2.gz LJWMGHXEDDQAQZ-UHFFFAOYSA-N -1 0 397.427 3.168 50 0 biogenic GGAARM O=C1O[C@@H](Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c2ccccc21 ZINC000002201663 220509165 /nfs/dbraw/zinc/50/91/65/220509165.db2.gz DVVYOICMFQPQIE-OAHLLOKOSA-N -1 0 387.442 3.225 50 0 GGAARM CC(C)OC(=O)c1c(N)n(-c2cccc(C(=O)[O-])c2)c2nc3ccccc3nc12 ZINC000002214135 220512096 /nfs/dbraw/zinc/51/20/96/220512096.db2.gz KHOAHAFKHDBBEX-UHFFFAOYSA-N -1 0 390.399 3.419 50 0 GGAARM COC(=O)c1c(-c2ccco2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000002486648 220539405 /nfs/dbraw/zinc/53/94/05/220539405.db2.gz YAWARYLQJLDONP-WDEREUQCSA-N -1 0 375.402 3.400 50 0 GGAARM O=C([O-])Cn1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1=O ZINC000002568204 220543397 /nfs/dbraw/zinc/54/33/97/220543397.db2.gz FFXBMPRBLHRCQW-UHFFFAOYSA-N -1 0 390.395 3.294 50 0 GGAARM COc1ccc(/C=C(/NC(=O)c2ccc(Br)cc2)C(=O)[O-])cc1 ZINC000002903887 220581736 /nfs/dbraw/zinc/58/17/36/220581736.db2.gz ODLQIZNPLJYFPZ-XNTDXEJSSA-N -1 0 376.206 3.313 50 0 GGAARM CCOC(=O)[C@]1(Nc2ccccc2C(=O)[O-])Sc2cc(C)ccc2NC1=O ZINC000003097829 220602795 /nfs/dbraw/zinc/60/27/95/220602795.db2.gz UFWCTXFXBYZUDJ-LJQANCHMSA-N -1 0 386.429 3.109 50 0 GGAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1C ZINC000003135953 220606457 /nfs/dbraw/zinc/60/64/57/220606457.db2.gz VEDVMDIRHNBTLQ-UHFFFAOYSA-N -1 0 385.445 3.273 50 0 GGAARM CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC000004241811 220696711 /nfs/dbraw/zinc/69/67/11/220696711.db2.gz VDAYHHAPFFLENF-AWEZNQCLSA-N -1 0 388.386 3.384 50 0 GGAARM CCOc1ccc(S(=O)(=O)N2CCC(c3ccccc3)CC2)cc1C(=O)[O-] ZINC000004107594 220682471 /nfs/dbraw/zinc/68/24/71/220682471.db2.gz BRXFWBZYIASROL-UHFFFAOYSA-N -1 0 389.473 3.352 50 0 GGAARM COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c(C(=O)OC)c1C ZINC000004148419 220686258 /nfs/dbraw/zinc/68/62/58/220686258.db2.gz WCDNEIJBGKEOTO-UHFFFAOYSA-N -1 0 397.474 3.047 50 0 GGAARM COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)[O-])cc1OC ZINC000004173415 220690140 /nfs/dbraw/zinc/69/01/40/220690140.db2.gz VIAZDFKDHOMFDW-AWEZNQCLSA-N -1 0 388.445 3.308 50 0 GGAARM O=C([O-])c1cccc(-n2cccc2/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c1 ZINC000004675354 220745422 /nfs/dbraw/zinc/74/54/22/220745422.db2.gz GGQCGXMSBSPBFC-UYRXBGFRSA-N -1 0 387.395 3.268 50 0 GGAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C(N)=O)c1-c1ccccc1 ZINC000004891997 220784433 /nfs/dbraw/zinc/78/44/33/220784433.db2.gz KYOOXYDEMYCELY-KGLIPLIRSA-N -1 0 384.457 3.428 50 0 GGAARM NC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCCCC2 ZINC000004894264 220784933 /nfs/dbraw/zinc/78/49/33/220784933.db2.gz DIBZRFNZKOOPEM-RYUDHWBXSA-N -1 0 376.478 3.112 50 0 GGAARM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1cc(Cl)ccc1OC ZINC000004845585 220774432 /nfs/dbraw/zinc/77/44/32/220774432.db2.gz PBONEGQTUNGEHA-UHFFFAOYSA-N -1 0 394.836 3.182 50 0 GGAARM O=C([O-])c1ccc(NC(=S)NC(=O)c2ccc(Br)cc2)cc1 ZINC000004845380 220774608 /nfs/dbraw/zinc/77/46/08/220774608.db2.gz BFFJMCGTSTVAPG-UHFFFAOYSA-N -1 0 379.235 3.274 50 0 GGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccc(OC)cc3)C2)cc1 ZINC000004856277 220778231 /nfs/dbraw/zinc/77/82/31/220778231.db2.gz QEDYFXWEZZCDMU-LJQANCHMSA-N -1 0 382.416 3.246 50 0 biogenic GGAARM CCCOc1ccc(-c2cccc([N-]S(=O)(=O)c3c(C)noc3C)c2)nn1 ZINC000005150639 220835869 /nfs/dbraw/zinc/83/58/69/220835869.db2.gz CZUTXRNVTZOCFT-UHFFFAOYSA-N -1 0 388.449 3.338 50 0 GGAARM COc1ccc(-c2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2)nn1 ZINC000005204240 220844144 /nfs/dbraw/zinc/84/41/44/220844144.db2.gz DIUJBWIQPIVDOX-UHFFFAOYSA-N -1 0 377.372 3.231 50 0 GGAARM COC(=O)c1c(NC(=O)CCC(=O)[O-])sc(C)c1-c1ccc(OC)cc1 ZINC000006184232 220922809 /nfs/dbraw/zinc/92/28/09/220922809.db2.gz QOVVORANFJVZIY-UHFFFAOYSA-N -1 0 377.418 3.322 50 0 GGAARM CCC(NCCc1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000006419626 220934178 /nfs/dbraw/zinc/93/41/78/220934178.db2.gz CELONGYBCCCECG-ZPHPHTNESA-N -1 0 377.444 3.074 50 0 GGAARM C[C@@H]1CCC[C@@H](NC(=S)N[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)[C@@H]1C ZINC000006468258 220936104 /nfs/dbraw/zinc/93/61/04/220936104.db2.gz IHOUTULNJLPZEY-CKEIUWERSA-N -1 0 397.610 3.466 50 0 GGAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1 ZINC000006659279 220948492 /nfs/dbraw/zinc/94/84/92/220948492.db2.gz ARZJFKNSGYKJPF-UONOGXRCSA-N -1 0 398.381 3.148 50 0 GGAARM CCOc1ccc(S(=O)(=O)N(CC(=O)[O-])Cc2ccccc2)cc1Cl ZINC000007881291 221015888 /nfs/dbraw/zinc/01/58/88/221015888.db2.gz HEHBVKDHWQWBFX-UHFFFAOYSA-N -1 0 383.853 3.014 50 0 GGAARM Cc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc(C)ccc4N(C)C3)C2=O)c(C)c1 ZINC000009087567 221069778 /nfs/dbraw/zinc/06/97/78/221069778.db2.gz NFPZUBGRVIOXRH-QFIPXVFZSA-N -1 0 377.444 3.078 50 0 GGAARM COC(=O)c1ccccc1-c1ccc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])o1 ZINC000009242609 221075805 /nfs/dbraw/zinc/07/58/05/221075805.db2.gz CYVWMKGRFJREAV-OQLLNIDSSA-N -1 0 385.401 3.378 50 0 GGAARM COc1ccc(CCc2nnc([N-]S(=O)(=O)Cc3ccccc3)s2)cc1 ZINC000009356469 221079547 /nfs/dbraw/zinc/07/95/47/221079547.db2.gz VDEQHKDBDKSRBX-UHFFFAOYSA-N -1 0 389.502 3.274 50 0 GGAARM COc1cc(C[C@@H](C(=O)Nc2cccc3ccccc32)c2nnn[n-]2)ccc1O ZINC000009434383 221081220 /nfs/dbraw/zinc/08/12/20/221081220.db2.gz MGYOOUMHMSZKPF-MRXNPFEDSA-N -1 0 389.415 3.032 50 0 GGAARM COc1cc(C[C@H](C(=O)Nc2cccc3ccccc32)c2nnn[n-]2)ccc1O ZINC000009434382 221081998 /nfs/dbraw/zinc/08/19/98/221081998.db2.gz MGYOOUMHMSZKPF-INIZCTEOSA-N -1 0 389.415 3.032 50 0 GGAARM CCC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(CC)s3)cc2C1 ZINC000008976990 221067058 /nfs/dbraw/zinc/06/70/58/221067058.db2.gz FBASTIVKNYLQJD-UHFFFAOYSA-N -1 0 378.519 3.406 50 0 GGAARM CCC(=O)N1CCc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2C1 ZINC000008976958 221067194 /nfs/dbraw/zinc/06/71/94/221067194.db2.gz KCENPAYNEXIBNM-UHFFFAOYSA-N -1 0 380.416 3.060 50 0 GGAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000008991795 221067727 /nfs/dbraw/zinc/06/77/27/221067727.db2.gz CBFUYRYTELKSHQ-IBGZPJMESA-N -1 0 392.459 3.148 50 0 GGAARM CC[C@@H](C)[C@H](NC(=O)[C@@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-] ZINC000011866803 221133019 /nfs/dbraw/zinc/13/30/19/221133019.db2.gz VGXCIBPQEKJWIO-VMDBXTETSA-N -1 0 389.448 3.101 50 0 GGAARM Cc1coc2cc3oc(=O)c(CC(=O)N[C@H](CC(C)C)C(=O)[O-])c(C)c3cc12 ZINC000011865669 221133502 /nfs/dbraw/zinc/13/35/02/221133502.db2.gz UHYNCVMESAJNRK-MRXNPFEDSA-N -1 0 385.416 3.314 50 0 GGAARM COc1ccc(-c2nc(CC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])cs2)cc1 ZINC000011866057 221133950 /nfs/dbraw/zinc/13/39/50/221133950.db2.gz KMLGSFPBIVNDRO-SFHVURJKSA-N -1 0 396.468 3.173 50 0 GGAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3s2)cc1NC(C)=O ZINC000011615553 221118729 /nfs/dbraw/zinc/11/87/29/221118729.db2.gz GNMMJJOVKTZQCS-UHFFFAOYSA-N -1 0 377.447 3.064 50 0 GGAARM O=C([O-])c1ccc(N2C(=S)N=NC2c2cncc(Br)c2)cc1 ZINC000012322065 221181268 /nfs/dbraw/zinc/18/12/68/221181268.db2.gz QWZPNOGCSBMPEO-UHFFFAOYSA-N -1 0 377.223 3.079 50 0 GGAARM COc1cc(C2=NN(C(C)=O)[C@H](c3ccc(C(=O)[O-])cc3)C2)cc(OC)c1OC ZINC000012249753 221173178 /nfs/dbraw/zinc/17/31/78/221173178.db2.gz CGMKOKGHCDWUHE-KRWDZBQOSA-N -1 0 398.415 3.108 50 0 GGAARM O=C1[N-]C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)N1 ZINC000012374462 221186312 /nfs/dbraw/zinc/18/63/12/221186312.db2.gz GPMXZFHISUXIRH-ZSOIEALJSA-N -1 0 391.196 3.348 50 0 GGAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cc1csc(-c2ccccc2F)n1 ZINC000012389113 221187636 /nfs/dbraw/zinc/18/76/36/221187636.db2.gz WOZKBIZWHKBSNP-KRWDZBQOSA-N -1 0 384.432 3.304 50 0 GGAARM Cc1c(-c2cc(C(F)(F)F)c3c(C4CC4)nn(CC(=O)[O-])c3n2)cnn1C ZINC000012395266 221188858 /nfs/dbraw/zinc/18/88/58/221188858.db2.gz LCNIDHHPFQJUCC-UHFFFAOYSA-N -1 0 379.342 3.121 50 0 GGAARM COc1ccccc1NC(=O)c1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000012628043 221215566 /nfs/dbraw/zinc/21/55/66/221215566.db2.gz UAWJPVGKNDGOLH-UHFFFAOYSA-N -1 0 389.458 3.205 50 0 GGAARM Cc1cccc(NC(=O)CSC2=NC(=O)C(Cc3ccccc3)C([O-])=N2)c1 ZINC000012628836 221215861 /nfs/dbraw/zinc/21/58/61/221215861.db2.gz CLPNNXOBFODYRG-UHFFFAOYSA-N -1 0 381.457 3.106 50 0 GGAARM COc1cccc(NC(=O)c2csc([N-]S(=O)(=O)c3ccccc3)n2)c1 ZINC000012628046 221216017 /nfs/dbraw/zinc/21/60/17/221216017.db2.gz LXMCHUXNAXRIJI-UHFFFAOYSA-N -1 0 389.458 3.205 50 0 GGAARM COc1ccc(-c2nc(C)c(C(=O)N[C@H](CC(C)C)C(=O)[O-])s2)cc1OC ZINC000012941034 221249099 /nfs/dbraw/zinc/24/90/99/221249099.db2.gz GRKLFFXYTMGEEM-CYBMUJFWSA-N -1 0 392.477 3.365 50 0 GGAARM Cc1ccc(C(O)=C2[C@H](c3ccc(C)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000012946403 221249248 /nfs/dbraw/zinc/24/92/48/221249248.db2.gz MOXGFSXLIUBXOG-TXPKVOOTSA-N -1 0 392.377 3.407 50 0 GGAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000013320394 221265486 /nfs/dbraw/zinc/26/54/86/221265486.db2.gz HKOBFZHYQZVGBZ-BURPLHJFSA-N -1 0 384.476 3.388 50 0 GGAARM O=S(=O)([N-]c1ccc(Br)cn1)c1ccc(Br)cc1 ZINC000013331871 221266100 /nfs/dbraw/zinc/26/61/00/221266100.db2.gz QGAGMEUKMHTEFA-UHFFFAOYSA-N -1 0 392.072 3.407 50 0 GGAARM Cc1nc2sc([C@H](c3cccc(F)c3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000013150448 221263055 /nfs/dbraw/zinc/26/30/55/221263055.db2.gz IEVXCZBUXQZCHV-RWSFTLGLSA-N -1 0 376.457 3.143 50 0 GGAARM Cc1nc2sc([C@@H](c3cccc(F)c3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000013150449 221263109 /nfs/dbraw/zinc/26/31/09/221263109.db2.gz IEVXCZBUXQZCHV-JRPNMDOOSA-N -1 0 376.457 3.143 50 0 GGAARM CCn1ccc(-c2cc(C(=O)[O-])n3nc4nc(C(F)(F)F)cc(C)c4c3n2)n1 ZINC000013645356 221278446 /nfs/dbraw/zinc/27/84/46/221278446.db2.gz AQFIBDHLZADXDQ-UHFFFAOYSA-N -1 0 390.325 3.186 50 0 GGAARM COc1ccc(-c2nc(C)c(C(=O)N3CCC(C(=O)[O-])CC3)s2)cc1OC ZINC000013425668 221268483 /nfs/dbraw/zinc/26/84/83/221268483.db2.gz GDUMQSNCCIJJDO-UHFFFAOYSA-N -1 0 390.461 3.073 50 0 GGAARM COc1ccc(CC(=O)NCc2n[n-]c(=S)n2-c2cccc(Cl)c2)cc1 ZINC000013524439 221272137 /nfs/dbraw/zinc/27/21/37/221272137.db2.gz IUXFQUGQZYOUFY-UHFFFAOYSA-N -1 0 388.880 3.451 50 0 GGAARM C/C(=C/C(=O)Nc1ccc(SCCC(=O)Nc2cc(C)on2)cc1)C(=O)[O-] ZINC000013579237 221274018 /nfs/dbraw/zinc/27/40/18/221274018.db2.gz MXXYBHPAIBKHLG-LUAWRHEFSA-N -1 0 389.433 3.073 50 0 GGAARM C/C(=C/C(=O)Nc1ccc(SCC(=O)N2CCc3ccccc32)cc1)C(=O)[O-] ZINC000013579279 221274797 /nfs/dbraw/zinc/27/47/97/221274797.db2.gz UNLICZDTUYCGQA-OWBHPGMISA-N -1 0 396.468 3.337 50 0 GGAARM CCc1c([O-])nc(SCC(=O)Nc2ccccc2)n(-c2ccccc2)c1=O ZINC000013774968 221288506 /nfs/dbraw/zinc/28/85/06/221288506.db2.gz UCPVGEKGWDGSFP-UHFFFAOYSA-N -1 0 381.457 3.231 50 0 GGAARM O=C([O-])c1cccc(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)c1 ZINC000013798980 221289724 /nfs/dbraw/zinc/28/97/24/221289724.db2.gz IHXPBZYKWITPFM-WOJGMQOQSA-N -1 0 388.404 3.415 50 0 GGAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(=O)C1CC1)CC2 ZINC000013696958 221281957 /nfs/dbraw/zinc/28/19/57/221281957.db2.gz FKEIECSNJGHMOJ-UHFFFAOYSA-N -1 0 386.473 3.104 50 0 GGAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CC2)CC3)s1 ZINC000013696965 221282608 /nfs/dbraw/zinc/28/26/08/221282608.db2.gz NSGSWHFADYLYOF-UHFFFAOYSA-N -1 0 376.503 3.410 50 0 GGAARM COc1c(I)cc(Br)cc1/C=C/C(=O)[O-] ZINC000013747789 221287032 /nfs/dbraw/zinc/28/70/32/221287032.db2.gz CJSRFFLBONOPGP-NSCUHMNNSA-N -1 0 382.979 3.160 50 0 GGAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000013737127 221287523 /nfs/dbraw/zinc/28/75/23/221287523.db2.gz QAKXQCLBWONOIG-HZPDHXFCSA-N -1 0 397.302 3.305 50 0 GGAARM O=C(CSc1nc([O-])cc(=O)n1-c1ccccc1)Nc1ccc(Cl)cc1 ZINC000013956813 221294003 /nfs/dbraw/zinc/29/40/03/221294003.db2.gz MIFFYVXHRKWOBW-UHFFFAOYSA-N -1 0 387.848 3.322 50 0 GGAARM O=C([O-])CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1 ZINC000013815368 221290952 /nfs/dbraw/zinc/29/09/52/221290952.db2.gz FOBVMYJQWZOGGJ-XYRJXBATSA-N -1 0 386.488 3.304 50 0 in-vitro GGAARM COC(=O)c1c(SCC(=O)NCc2ccc(C)cc2)[n-]c2ccccc2c1=O ZINC000015731528 221342671 /nfs/dbraw/zinc/34/26/71/221342671.db2.gz KMWRBAXBTLHJAO-UHFFFAOYSA-N -1 0 396.468 3.032 50 0 GGAARM CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000015837769 221346385 /nfs/dbraw/zinc/34/63/85/221346385.db2.gz PGJVHPHCIWSPOX-NMBAIYOOSA-N -1 0 389.451 3.378 50 0 GGAARM Cc1ccc(CS(=O)(=O)[N-]c2ccccc2C(=O)NCc2cccnc2)cc1 ZINC000016579719 221367011 /nfs/dbraw/zinc/36/70/11/221367011.db2.gz SLQIWHIFSRXOLA-UHFFFAOYSA-N -1 0 395.484 3.262 50 0 GGAARM Cc1nc2sc([C@@H](c3ccc(F)c(F)c3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000017144191 221379494 /nfs/dbraw/zinc/37/94/94/221379494.db2.gz KBGHXNMBHPWURM-HFBDOXOYSA-N -1 0 394.447 3.282 50 0 GGAARM Cc1nc2sc([C@H](c3ccccc3F)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000017144234 221380114 /nfs/dbraw/zinc/38/01/14/221380114.db2.gz KAFKJQQPXJZZJI-RWSFTLGLSA-N -1 0 376.457 3.143 50 0 GGAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NC[C@H]2CCCO2)c1 ZINC000017247678 221382305 /nfs/dbraw/zinc/38/23/05/221382305.db2.gz RISSBMBXWCQJPF-OAHLLOKOSA-N -1 0 398.488 3.330 50 0 GGAARM CCc1nc2sc([C@H](c3cccc(F)c3)N3C[C@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000016690152 221369279 /nfs/dbraw/zinc/36/92/79/221369279.db2.gz XBNWGJNHMHCLNG-MKBNYLNASA-N -1 0 390.484 3.397 50 0 GGAARM COc1ccc(Cl)cc1Nc1nc(=O)c(-c2ccc(OC)c(OC)c2)n[n-]1 ZINC000016777505 221371094 /nfs/dbraw/zinc/37/10/94/221371094.db2.gz RVKCRXSPXJUGHI-UHFFFAOYSA-N -1 0 388.811 3.255 50 0 GGAARM Cc1ccc(NC(=O)Cc2sc(Nc3ccc(C(=O)[O-])cc3)nc2O)cc1 ZINC000016938725 221373249 /nfs/dbraw/zinc/37/32/49/221373249.db2.gz CYOWJAQYALTZTK-OAHLLOKOSA-N -1 0 383.429 3.132 50 0 GGAARM O=S(=O)([N-]c1nc2ccccc2nc1NC[C@@H]1CCCO1)c1cccs1 ZINC000016956084 221374005 /nfs/dbraw/zinc/37/40/05/221374005.db2.gz PTZSACGIMBRBRA-LBPRGKRZSA-N -1 0 390.490 3.083 50 0 GGAARM C[C@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCC2 ZINC000017077425 221375706 /nfs/dbraw/zinc/37/57/06/221375706.db2.gz BYLVRGWMDKNGMM-NSHDSACASA-N -1 0 378.494 3.349 50 0 GGAARM COC(=O)c1cccc([N-]S(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000017078680 221377462 /nfs/dbraw/zinc/37/74/62/221377462.db2.gz BRZNANQJIKETKD-UHFFFAOYSA-N -1 0 385.445 3.077 50 0 GGAARM NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000017078454 221377605 /nfs/dbraw/zinc/37/76/05/221377605.db2.gz RYQCKDJRVXFCPB-CABCVRRESA-N -1 0 384.457 3.043 50 0 GGAARM NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000017078456 221377769 /nfs/dbraw/zinc/37/77/69/221377769.db2.gz RYQCKDJRVXFCPB-HUUCEWRRSA-N -1 0 384.457 3.043 50 0 GGAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCCC2 ZINC000017079333 221377843 /nfs/dbraw/zinc/37/78/43/221377843.db2.gz QHWZZLAAZQPQBO-STQMWFEESA-N -1 0 388.489 3.125 50 0 GGAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1sccc1C(=O)N1CCCCC1 ZINC000017079689 221378241 /nfs/dbraw/zinc/37/82/41/221378241.db2.gz SUODQAYZEGIDAO-BGHVQYPCSA-N -1 0 390.505 3.450 50 0 GGAARM CCOC(=O)c1c2ccc(C(C)(C)C)cc2sc1NC(=O)COCC(=O)[O-] ZINC000017080370 221378413 /nfs/dbraw/zinc/37/84/13/221378413.db2.gz NRCZUZSBUWHMLW-UHFFFAOYSA-N -1 0 393.461 3.415 50 0 GGAARM CCc1c(C)sc2[n-]c(=S)n(CCn3cc(Br)cn3)c(=O)c12 ZINC000017081658 221378674 /nfs/dbraw/zinc/37/86/74/221378674.db2.gz OXFKZOVDQRBNAF-UHFFFAOYSA-N -1 0 399.339 3.277 50 0 GGAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)Nc1sccc1C(=O)N1CCCCC1 ZINC000017079691 221378975 /nfs/dbraw/zinc/37/89/75/221378975.db2.gz SUODQAYZEGIDAO-GMEATFMZSA-N -1 0 390.505 3.450 50 0 GGAARM Cc1nnc(Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c2ccccc12 ZINC000018062888 221386617 /nfs/dbraw/zinc/38/66/17/221386617.db2.gz RBYDBRIGYSSDKN-UHFFFAOYSA-N -1 0 397.485 3.361 50 0 GGAARM O=C(CSc1nc([O-])cc(=O)[nH]1)N1c2ccccc2CCc2ccccc21 ZINC000018183146 221389064 /nfs/dbraw/zinc/38/90/64/221389064.db2.gz YCAOQQLWCMGMTC-UHFFFAOYSA-N -1 0 379.441 3.031 50 0 GGAARM O=C([O-])c1cccnc1S[C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000019781657 221452110 /nfs/dbraw/zinc/45/21/10/221452110.db2.gz DBBGNZNRWGZZSC-GFCCVEGCSA-N -1 0 396.346 3.223 50 0 GGAARM O=C([O-])c1ccc(-n2nnnc2SCC(=O)c2ccc(Cl)s2)cc1 ZINC000019852291 221459896 /nfs/dbraw/zinc/45/98/96/221459896.db2.gz XBZGVARNCQDGCB-UHFFFAOYSA-N -1 0 380.838 3.050 50 0 GGAARM CN(C)c1nccnc1N1CCC(Oc2ccc3ccccc3c2)(C(=O)[O-])CC1 ZINC000082162046 136174209 /nfs/dbraw/zinc/17/42/09/136174209.db2.gz MXXCLVZYFOAJAQ-UHFFFAOYSA-N -1 0 392.459 3.198 50 0 GGAARM CN1CC2(CCN(c3ccc(C(=O)[O-])cn3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091756001 136177134 /nfs/dbraw/zinc/17/71/34/136177134.db2.gz XFPVRVPLOUPDPY-SFHVURJKSA-N -1 0 379.460 3.012 50 0 GGAARM O=C([O-])c1ccc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cc1 ZINC000095080280 136177681 /nfs/dbraw/zinc/17/76/81/136177681.db2.gz VYXONEXRZMHYRY-UHFFFAOYSA-N -1 0 376.416 3.422 50 0 GGAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)cc1 ZINC000095354394 136177847 /nfs/dbraw/zinc/17/78/47/136177847.db2.gz PWSOUBJORWXTLH-HXUWFJFHSA-N -1 0 394.471 3.241 50 0 GGAARM Cc1ccc(C(=O)[O-])c(N2CCC(c3nccn3Cc3ccncc3)CC2)n1 ZINC000095504507 136180055 /nfs/dbraw/zinc/18/00/55/136180055.db2.gz PPRRWLOHPCVAEN-UHFFFAOYSA-N -1 0 377.448 3.112 50 0 GGAARM O=C([O-])c1nc(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)ccc1Cl ZINC000095519542 136181014 /nfs/dbraw/zinc/18/10/14/136181014.db2.gz IAXZDNXBAJVSRT-HNNXBMFYSA-N -1 0 397.866 3.457 50 0 GGAARM COc1ccccc1NC(=S)C1=C([O-])c2ccccc2N(C)S1(=O)=O ZINC000100911045 136189243 /nfs/dbraw/zinc/18/92/43/136189243.db2.gz USGFHJIKJYWWPQ-UHFFFAOYSA-N -1 0 376.459 3.141 50 0 GGAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCCCC[C@H]32)C(=O)N1c1ccccc1 ZINC000247939367 136192978 /nfs/dbraw/zinc/19/29/78/136192978.db2.gz OYGSHAXVUFVUJJ-WMZHIEFXSA-N -1 0 389.455 3.261 50 0 GGAARM O=c1c2cc(N3CCOCC3)ccc2[n-]c(=S)n1Cc1ccccc1Cl ZINC000002975995 136193552 /nfs/dbraw/zinc/19/35/52/136193552.db2.gz BCCQQXXPCKTTTC-UHFFFAOYSA-N -1 0 387.892 3.224 50 0 GGAARM O=c1c2cc(N3CCOCC3)ccc2[n-]c(=S)n1Cc1cccc(Cl)c1 ZINC000002975988 136193624 /nfs/dbraw/zinc/19/36/24/136193624.db2.gz WQDYBTXXCWHBMF-UHFFFAOYSA-N -1 0 387.892 3.224 50 0 GGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(N3CCCCC3=O)cc2)c1 ZINC000005329756 136194773 /nfs/dbraw/zinc/19/47/73/136194773.db2.gz VBZIBSPUAUIZDK-UHFFFAOYSA-N -1 0 390.461 3.022 50 0 GGAARM [O-]c1c([C@H](c2ccco2)N2CCN(c3ccccc3F)CC2)sc2ncnn12 ZINC000022610109 136204292 /nfs/dbraw/zinc/20/42/92/136204292.db2.gz AVDJLOYGLHGGRF-INIZCTEOSA-N -1 0 399.451 3.140 50 0 GGAARM Cc1nc2sc([C@@H](c3ccccc3Cl)N3CCC(O)CC3)c([O-])n2n1 ZINC000022627652 221565219 /nfs/dbraw/zinc/56/52/19/221565219.db2.gz VWACPIUTAGLZKK-CQSZACIVSA-N -1 0 378.885 3.004 50 0 GGAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000036293786 221849402 /nfs/dbraw/zinc/84/94/02/221849402.db2.gz CVJZWTUKGIONTK-HNNXBMFYSA-N -1 0 381.837 3.370 50 0 GGAARM O=C([O-])CCn1cc([C@H](C(=O)[O-])[NH+]2CCCC2)c2ccc(Br)cc21 ZINC000036354952 221854007 /nfs/dbraw/zinc/85/40/07/221854007.db2.gz IPSAJEJUVORWSE-MRXNPFEDSA-N -1 0 395.253 3.100 50 0 GGAARM Cc1cc(C)nc([N-]c2nc(C(=O)NCCOc3ccc(F)cc3)cs2)n1 ZINC000049032265 221995342 /nfs/dbraw/zinc/99/53/42/221995342.db2.gz UFISIKPLVPEUGO-UHFFFAOYSA-N -1 0 387.440 3.241 50 0 GGAARM O=C([O-])c1ccc2c(c1)n(Cc1cc(-c3ccccn3)no1)c(=O)n2CC1CC1 ZINC000055199695 222018049 /nfs/dbraw/zinc/01/80/49/222018049.db2.gz MPCSCDYVZZTKIC-UHFFFAOYSA-N -1 0 390.399 3.010 50 0 GGAARM COc1ccc(F)cc1[C@@H](C(=O)[O-])N(Cc1cccnc1)Cc1cccnc1 ZINC000055183314 222018127 /nfs/dbraw/zinc/01/81/27/222018127.db2.gz QJWCHJIGIDKEPM-FQEVSTJZSA-N -1 0 381.407 3.452 50 0 GGAARM Cc1cccc(CNC(=O)c2ccccc2NC(=O)CCc2cc(=O)[n-]o2)c1 ZINC000055404364 222022635 /nfs/dbraw/zinc/02/26/35/222022635.db2.gz HIQKOGSUIDBXAQ-UHFFFAOYSA-N -1 0 379.416 3.190 50 0 GGAARM Cc1ccc([C@@H]2CC(c3ccc4c(c3)OCO4)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000058196739 222043608 /nfs/dbraw/zinc/04/36/08/222043608.db2.gz DJJFTGQIIHKGJK-KRWDZBQOSA-N -1 0 380.400 3.266 50 0 GGAARM O=C([O-])c1ccc2c(c1)S[C@@H](CC(=O)Nc1ccccc1Cl)C(=O)N2 ZINC000061721103 222062751 /nfs/dbraw/zinc/06/27/51/222062751.db2.gz WHJMKCNHMLDJCH-AWEZNQCLSA-N -1 0 376.821 3.480 50 0 GGAARM O=C([O-])c1cc(-n2ccc(-c3ccccc3)n2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000071749632 222189270 /nfs/dbraw/zinc/18/92/70/222189270.db2.gz RORGSLUHBKYDPM-UHFFFAOYSA-N -1 0 397.456 3.022 50 0 GGAARM O=C([O-])CSc1nnc([C@@H](O)c2ccccc2)n1-c1cccc(Cl)c1 ZINC000065453273 222130627 /nfs/dbraw/zinc/13/06/27/222130627.db2.gz WQESXYMRKFVQBE-HNNXBMFYSA-N -1 0 375.837 3.179 50 0 GGAARM Cc1ccc(F)c2cc(C)c(N3CCC[C@H](Cn4cc(C(=O)[O-])nn4)C3)nc12 ZINC000067446535 222146871 /nfs/dbraw/zinc/14/68/71/222146871.db2.gz QFYPWLUNMYEBTN-AWEZNQCLSA-N -1 0 383.427 3.197 50 0 GGAARM Cc1cccc2cc(C(=O)N3CCC(c4cc(CC(=O)[O-])n[nH]4)CC3)c(C)nc12 ZINC000067847433 222163591 /nfs/dbraw/zinc/16/35/91/222163591.db2.gz BASBLBAUHTWZHG-UHFFFAOYSA-N -1 0 392.459 3.222 50 0 GGAARM Cc1ccccc1-c1cc(O)c2c(c1)CN(Cc1c[nH]nc1C(=O)[O-])CCO2 ZINC000067983368 222171307 /nfs/dbraw/zinc/17/13/07/222171307.db2.gz COZPICWKTZRYCF-UHFFFAOYSA-N -1 0 379.416 3.184 50 0 GGAARM CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000070666332 222176455 /nfs/dbraw/zinc/17/64/55/222176455.db2.gz TZFHJIZXNQCLMF-UHFFFAOYSA-N -1 0 396.399 3.233 50 0 biogenic GGAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCC2)c1 ZINC000071288464 222180005 /nfs/dbraw/zinc/18/00/05/222180005.db2.gz LQVGIZSCYPGZAS-GJZGRUSLSA-N -1 0 378.856 3.308 50 0 GGAARM Cc1ccc(C(=O)[O-])c(N2CCC(=O)N(Cc3ccc(F)cc3)[C@H](C(C)C)C2)n1 ZINC000071479621 222184757 /nfs/dbraw/zinc/18/47/57/222184757.db2.gz CMLOVEXDJONSSL-IBGZPJMESA-N -1 0 399.466 3.491 50 0 GGAARM O=C(c1cc(=O)[nH][n-]1)N1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000071762790 222193998 /nfs/dbraw/zinc/19/39/98/222193998.db2.gz YUNNHOVCQDJYIU-UHFFFAOYSA-N -1 0 399.454 3.217 50 0 GGAARM COc1ccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)N3CCCCCC3)c2)cn1 ZINC000072137432 222210031 /nfs/dbraw/zinc/21/00/31/222210031.db2.gz IVXIVJOBEMHBHA-UHFFFAOYSA-N -1 0 390.461 3.020 50 0 GGAARM Cc1cc2ncn(-c3cc(C(=O)[O-])cc(S(=O)(=O)N4CCCC4)c3)c2cc1C ZINC000072158079 222213137 /nfs/dbraw/zinc/21/31/37/222213137.db2.gz HRTFZVJDMOLFIE-UHFFFAOYSA-N -1 0 399.472 3.125 50 0 GGAARM CCOC(=O)C[C@@H](c1ccc(OC)cc1OC)c1c([O-])c2ccccc2[nH]c1=O ZINC000072326009 222227307 /nfs/dbraw/zinc/22/73/07/222227307.db2.gz UFZLYQSWLAMTNY-INIZCTEOSA-N -1 0 397.427 3.336 50 0 biogenic GGAARM Cc1c2ccc(C)cc2oc1C(=O)N1CCCn2nc(CCC(=O)[O-])cc2C1 ZINC000072421199 222257722 /nfs/dbraw/zinc/25/77/22/222257722.db2.gz HKVDXQZKVOBYIJ-UHFFFAOYSA-N -1 0 381.432 3.309 50 0 GGAARM Cc1nc(CCNC(=O)Cc2c(C)[nH]c3c2cc(C)cc3C)sc1C(=O)[O-] ZINC000095506446 222339475 /nfs/dbraw/zinc/33/94/75/222339475.db2.gz ZWIDBYGONFLYCL-UHFFFAOYSA-N -1 0 385.489 3.458 50 0 GGAARM CCOc1ccc(-c2ccnc(NCCn3cc(Cl)cn3)n2)cc1C(=O)[O-] ZINC000077338039 222277621 /nfs/dbraw/zinc/27/76/21/222277621.db2.gz JWGKAZXPWLSOGE-UHFFFAOYSA-N -1 0 387.827 3.203 50 0 GGAARM CCOc1ccc(-c2ccnc(NCCc3c(C)n[nH]c3C)n2)cc1C(=O)[O-] ZINC000077287561 222277934 /nfs/dbraw/zinc/27/79/34/222277934.db2.gz NLRDTLHJUDDUBX-UHFFFAOYSA-N -1 0 381.436 3.235 50 0 GGAARM CC(C)Oc1ccc2c(c1)n(CC(F)(F)F)nc2[N-]S(=O)(=O)C1CC1 ZINC000077388874 222281648 /nfs/dbraw/zinc/28/16/48/222281648.db2.gz ULTLPDJCWXYFBY-UHFFFAOYSA-N -1 0 377.388 3.290 50 0 GGAARM CCc1ncc(CN2CCC(Oc3ccc(Cl)cc3)(C(=O)[O-])CC2)cn1 ZINC000077541170 222285209 /nfs/dbraw/zinc/28/52/09/222285209.db2.gz CBAJZKLCCGPKEC-UHFFFAOYSA-N -1 0 375.856 3.191 50 0 GGAARM Cc1nn(C)cc1[C@@H]1SCC(=O)Nc2c1c(C)nn2-c1ccc(C(=O)[O-])cc1 ZINC000079473282 222305094 /nfs/dbraw/zinc/30/50/94/222305094.db2.gz QBFFZWJZBQRLSH-KRWDZBQOSA-N -1 0 397.460 3.345 50 0 GGAARM CCCOc1ccc(-c2nsc([N-]C(=O)c3csnn3)n2)cc1OC ZINC000080343721 222306696 /nfs/dbraw/zinc/30/66/96/222306696.db2.gz XYZZRAMESVQDMK-UHFFFAOYSA-N -1 0 377.451 3.106 50 0 GGAARM CC(C)(C)c1cc(CN2CCC(Oc3ccccc3F)(C(=O)[O-])CC2)[nH]n1 ZINC000082087695 222308106 /nfs/dbraw/zinc/30/81/06/222308106.db2.gz VMQGEBCIOLTHSX-UHFFFAOYSA-N -1 0 375.444 3.345 50 0 GGAARM COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cccs3)C2)c1 ZINC000095532110 222354897 /nfs/dbraw/zinc/35/48/97/222354897.db2.gz HHBYOHHMIXEPCN-INIZCTEOSA-N -1 0 388.445 3.308 50 0 GGAARM O=C([O-])[C@H]1[C@H]2CC(=O)C[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095743244 222359328 /nfs/dbraw/zinc/35/93/28/222359328.db2.gz CJRUPEXNZOFRTP-YIILKADPSA-N -1 0 391.423 3.300 50 0 GGAARM CN(C)c1cccc(-c2c3c(cc(=O)n2C)[n-]n(-c2ccccc2Cl)c3=O)c1 ZINC000095670835 222359379 /nfs/dbraw/zinc/35/93/79/222359379.db2.gz RGYQPQARIQKJKH-UHFFFAOYSA-N -1 0 394.862 3.404 50 0 investigational GGAARM COC(=O)N1CCc2ccc([N-]S(=O)(=O)c3cccc4cccnc43)cc2C1 ZINC000096103695 222380604 /nfs/dbraw/zinc/38/06/04/222380604.db2.gz KXZBYPRJHOUQCO-UHFFFAOYSA-N -1 0 397.456 3.160 50 0 GGAARM COC(=O)C[C@@H](c1ccccc1)c1c([O-])nc2ccc(C(F)(F)F)cn2c1=O ZINC000096116874 222383130 /nfs/dbraw/zinc/38/31/30/222383130.db2.gz CIYJQMDZULVWKV-ZDUSSCGKSA-N -1 0 392.333 3.114 50 0 GGAARM Cc1ccc(SCc2ccc(C(=O)N3Cc4nc[nH]c4C[C@H]3C(=O)[O-])o2)cc1 ZINC000096166387 222395125 /nfs/dbraw/zinc/39/51/25/222395125.db2.gz HNYWOCBSQMDQRP-KRWDZBQOSA-N -1 0 397.456 3.255 50 0 GGAARM CC(C)Cn1c2ccccc2c([O-])c(C(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000100692849 222461213 /nfs/dbraw/zinc/46/12/13/222461213.db2.gz WFTYISSGVVXAGF-UHFFFAOYSA-N -1 0 394.427 3.022 50 0 GGAARM CCCn1c2ccccc2c([O-])c(C(=O)NCCc2ccc(OC)cc2)c1=O ZINC000100812199 222463601 /nfs/dbraw/zinc/46/36/01/222463601.db2.gz YAYMYODUTXMMTH-UHFFFAOYSA-N -1 0 380.444 3.098 50 0 GGAARM CCC(NCCC1=CCCCC1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000101070923 222466547 /nfs/dbraw/zinc/46/65/47/222466547.db2.gz ZLCOEAOQQBILOL-VHEBQXMUSA-N -1 0 381.476 3.409 50 0 GGAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cc(C)ccc4C)c=3c2=O)cc1 ZINC000101167671 222468853 /nfs/dbraw/zinc/46/88/53/222468853.db2.gz WLYKRQPYXANLHV-MOPGFXCFSA-N -1 0 378.432 3.196 50 0 GGAARM CCOC(=O)c1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@@H](C)C4)cc1 ZINC000170624665 222559561 /nfs/dbraw/zinc/55/95/61/222559561.db2.gz CWCZDJYGLMWJAP-LBPRGKRZSA-N -1 0 392.411 3.253 50 0 GGAARM CC(=O)N1N=C(c2c([O-])cc(C)oc2=O)C[C@H]1c1ccc(Br)cc1 ZINC000170625905 222560024 /nfs/dbraw/zinc/56/00/24/222560024.db2.gz LTLIQYADUSRGSZ-AWEZNQCLSA-N -1 0 391.221 3.114 50 0 GGAARM CC(C)(C)OC(=O)N1CCN(c2c(F)cccc2C(F)(F)F)C[C@H]1C(=O)[O-] ZINC000169725621 534837809 /nfs/dbraw/zinc/83/78/09/534837809.db2.gz JLECZOSWCBTWMT-LBPRGKRZSA-N -1 0 392.349 3.355 50 0 GGAARM O=C([O-])c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1N1CCCCC1 ZINC000000778839 526355962 /nfs/dbraw/zinc/35/59/62/526355962.db2.gz PHWNOFUQPAIJQX-UHFFFAOYSA-N -1 0 398.868 3.100 50 0 GGAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccccc2Br)C[C@H]1C(=O)[O-] ZINC000042783167 526427605 /nfs/dbraw/zinc/42/76/05/526427605.db2.gz HVVBIRKDQLEGAX-JQWIXIFHSA-N -1 0 386.242 3.291 50 0 GGAARM CC(=O)c1ccc(OCC(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)cc1 ZINC000095356627 527323202 /nfs/dbraw/zinc/32/32/02/527323202.db2.gz AOUKRKOLEKKKLE-LJQANCHMSA-N -1 0 381.428 3.372 50 0 GGAARM CC(=O)c1ccc(OCC(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)cc1 ZINC000095356626 527324253 /nfs/dbraw/zinc/32/42/53/527324253.db2.gz AOUKRKOLEKKKLE-IBGZPJMESA-N -1 0 381.428 3.372 50 0 GGAARM CCOC(=O)c1csc(=NC(=O)c2nc(C)sc2Cc2ccccc2)[n-]1 ZINC000095480907 528331716 /nfs/dbraw/zinc/33/17/16/528331716.db2.gz GZLPPMDQPOOQSL-UHFFFAOYSA-N -1 0 387.486 3.350 50 0 GGAARM CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000006243946 528470315 /nfs/dbraw/zinc/47/03/15/528470315.db2.gz IIYGRERHSHHIIB-UHFFFAOYSA-N -1 0 382.869 3.289 50 0 GGAARM CCOc1ccccc1N1CCN(C(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])CC1 ZINC000006714328 528736708 /nfs/dbraw/zinc/73/67/08/528736708.db2.gz ZRQXDLYCJMEUDM-ZWKOTPCHSA-N -1 0 386.492 3.181 50 0 GGAARM CC1(C)CN(C(=O)c2ccc(N3CC(=O)N=C3[O-])cc2)C[C@@H]1c1ccccc1 ZINC000426362106 529105163 /nfs/dbraw/zinc/10/51/63/529105163.db2.gz XIDNROUGJZVNRV-GOSISDBHSA-N -1 0 377.444 3.009 50 0 GGAARM CCC(NCCc1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000101057489 535226628 /nfs/dbraw/zinc/22/66/28/535226628.db2.gz PNGWIDSVGDZQCQ-VHEBQXMUSA-N -1 0 377.444 3.074 50 0 GGAARM CCOC(=O)Cc1csc([N-]S(=O)(=O)c2ccc3ccccc3c2)n1 ZINC000000826221 564180820 /nfs/dbraw/zinc/18/08/20/564180820.db2.gz JJWLUBGKRMKXNK-UHFFFAOYSA-N -1 0 376.459 3.203 50 0 GGAARM CCSc1nnc([N-]S(=O)(=O)c2ccc(Br)cc2)s1 ZINC000000996580 564182671 /nfs/dbraw/zinc/18/26/71/564182671.db2.gz VMFKNTWBBPIGBW-UHFFFAOYSA-N -1 0 380.314 3.213 50 0 GGAARM O=C([O-])c1cccc(NC(=S)NC(=O)c2ccc(Br)cc2)c1 ZINC000001158616 564183408 /nfs/dbraw/zinc/18/34/08/564183408.db2.gz DWCCZURFESFYGN-UHFFFAOYSA-N -1 0 379.235 3.274 50 0 GGAARM Cc1ccc(Cl)cc1NC(=O)c1sc2[nH]c(=O)c(C(=O)[O-])cc2c1N ZINC000002367806 564187654 /nfs/dbraw/zinc/18/76/54/564187654.db2.gz LKVFCIZZVXYSSL-UHFFFAOYSA-N -1 0 377.809 3.084 50 0 GGAARM O=C([O-])CSc1nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2o1 ZINC000002656617 564188587 /nfs/dbraw/zinc/18/85/87/564188587.db2.gz FSOHVUYTPPUSFM-UHFFFAOYSA-N -1 0 398.849 3.459 50 0 GGAARM COc1ccc2nc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)sc2c1 ZINC000002735257 564189462 /nfs/dbraw/zinc/18/94/62/564189462.db2.gz CRDFGDAAOHGVGS-UHFFFAOYSA-N -1 0 380.447 3.123 50 0 GGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccnc1Cl ZINC000002737821 564189682 /nfs/dbraw/zinc/18/96/82/564189682.db2.gz XHMWVORBZCFBSG-UHFFFAOYSA-N -1 0 394.865 3.245 50 0 GGAARM CCn1cc([N-]S(=O)(=O)c2cccs2)c(C(=O)Nc2ccccc2)n1 ZINC000002794529 564190317 /nfs/dbraw/zinc/19/03/17/564190317.db2.gz CHYDKDFIERZMFD-UHFFFAOYSA-N -1 0 376.463 3.018 50 0 GGAARM Cc1nn(C[C@@H](C)C(=O)Nc2ccc(C(=O)[O-])cc2)c(C)c1Br ZINC000002795377 564190637 /nfs/dbraw/zinc/19/06/37/564190637.db2.gz VMTSVXQHCNLSTR-SECBINFHSA-N -1 0 380.242 3.235 50 0 GGAARM O=S(=O)([N-]c1nc2ccccc2nc1OCC(F)(F)F)c1cccs1 ZINC000003168552 564193129 /nfs/dbraw/zinc/19/31/29/564193129.db2.gz IMTZHQYHBSJCHG-UHFFFAOYSA-N -1 0 389.380 3.433 50 0 GGAARM CCOC(=O)[C@]([N-]c1cc(Cl)ccc1OC)(NC(=O)CC)C(F)(F)F ZINC000003103130 564193533 /nfs/dbraw/zinc/19/35/33/564193533.db2.gz SEAGXDZHVFMAHH-AWEZNQCLSA-N -1 0 382.766 3.108 50 0 GGAARM CCCCOc1ccc(S(=O)(=O)[N-]NC(=S)Nc2ccccc2)cc1 ZINC000004047825 564199939 /nfs/dbraw/zinc/19/99/39/564199939.db2.gz XBAVOJLJIMZTRX-UHFFFAOYSA-N -1 0 379.507 3.045 50 0 GGAARM C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000003885930 564199963 /nfs/dbraw/zinc/19/99/63/564199963.db2.gz KCAKWPXWVUQRAX-SNVBAGLBSA-N -1 0 396.262 3.287 50 0 GGAARM CC(C)(C)c1nnc([N-]S(=O)(=O)c2ccc(Br)cc2)s1 ZINC000003991810 564200112 /nfs/dbraw/zinc/20/01/12/564200112.db2.gz JFDPJKJDOIBOSV-UHFFFAOYSA-N -1 0 376.301 3.399 50 0 GGAARM CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000004241764 564200963 /nfs/dbraw/zinc/20/09/63/564200963.db2.gz UDCVKKOJQFQQIJ-CQSZACIVSA-N -1 0 399.285 3.128 50 0 GGAARM CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2ccccc2Br)CC1 ZINC000004241760 564201465 /nfs/dbraw/zinc/20/14/65/564201465.db2.gz LAOOWVCIPRHIPL-CQSZACIVSA-N -1 0 399.285 3.128 50 0 GGAARM O=c1c2[n-][nH]n(Cc3ccccc3Cl)c=2c(=O)n1-c1ccc(Cl)cc1 ZINC000004483663 564203547 /nfs/dbraw/zinc/20/35/47/564203547.db2.gz ZBCKAZLUKVNXJG-CABCVRRESA-N -1 0 375.215 3.487 50 0 GGAARM CCOc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)ccc1OC(=O)c1cccs1 ZINC000004556460 564203960 /nfs/dbraw/zinc/20/39/60/564203960.db2.gz JIHHGXRPBUHILB-ABAIWWIYSA-N -1 0 379.459 3.154 50 0 GGAARM CCOc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1OC(=O)c1cccs1 ZINC000004556458 564204201 /nfs/dbraw/zinc/20/42/01/564204201.db2.gz JIHHGXRPBUHILB-NHYWBVRUSA-N -1 0 379.459 3.154 50 0 GGAARM CCOc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000004618989 564204792 /nfs/dbraw/zinc/20/47/92/564204792.db2.gz BOKQPJNHCCCCOO-MRXNPFEDSA-N -1 0 383.853 3.233 50 0 GGAARM Cc1cccc(N2C(=O)C[C@@H](Sc3ncccc3C(=O)[O-])C2=O)c1Cl ZINC000004866814 564208189 /nfs/dbraw/zinc/20/81/89/564208189.db2.gz XHWCDNSCLOKJCJ-GFCCVEGCSA-N -1 0 376.821 3.166 50 0 GGAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000005126709 564213883 /nfs/dbraw/zinc/21/38/83/564213883.db2.gz WPNNKBBQGATAFA-UHFFFAOYSA-N -1 0 384.251 3.427 50 0 GGAARM Cc1cc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)ccc1Br ZINC000006269303 564222222 /nfs/dbraw/zinc/22/22/22/564222222.db2.gz GRUHMFASTUPCDX-UHFFFAOYSA-N -1 0 383.267 3.381 50 0 GGAARM O=S(=O)([N-]c1nc2c(s1)CCCC2)c1ccc(Br)s1 ZINC000006352482 564223369 /nfs/dbraw/zinc/22/33/69/564223369.db2.gz XYQDKTLOPLGKSW-UHFFFAOYSA-N -1 0 379.326 3.069 50 0 GGAARM CCc1ccc(NC(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1 ZINC000006918559 564230311 /nfs/dbraw/zinc/23/03/11/564230311.db2.gz JEJDEFSPQPOTLG-UHFFFAOYSA-N -1 0 375.475 3.091 50 0 GGAARM CSc1cccc(NC(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)c1 ZINC000006918586 564230368 /nfs/dbraw/zinc/23/03/68/564230368.db2.gz QJGUCNRJQVOFHC-UHFFFAOYSA-N -1 0 393.515 3.251 50 0 GGAARM Cc1ccc(NC(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)c(Cl)c1 ZINC000006918571 564230373 /nfs/dbraw/zinc/23/03/73/564230373.db2.gz GWMJLCCCEHURKX-UHFFFAOYSA-N -1 0 395.893 3.491 50 0 GGAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000009002275 564251428 /nfs/dbraw/zinc/25/14/28/564251428.db2.gz AEKITEJQWZAMMK-UHFFFAOYSA-N -1 0 376.253 3.098 50 0 GGAARM Cc1c(Cl)cccc1N1C(=O)C[C@@H](Sc2ncccc2C(=O)[O-])C1=O ZINC000019881712 564304289 /nfs/dbraw/zinc/30/42/89/564304289.db2.gz BJIRTCHAYNLSLR-CYBMUJFWSA-N -1 0 376.821 3.166 50 0 GGAARM O=C([O-])[C@H](NC(=O)Cn1ccc2cc(Br)ccc21)c1ccccc1 ZINC000020763613 564308070 /nfs/dbraw/zinc/30/80/70/564308070.db2.gz JDWJDCLCLMBDPQ-QGZVFWFLSA-N -1 0 387.233 3.346 50 0 biogenic GGAARM O=C([O-])c1ccc(CNC(=O)Cn2ccc3ccc(Br)cc32)cc1 ZINC000020730571 564308083 /nfs/dbraw/zinc/30/80/83/564308083.db2.gz VBOHLCDIGIMRKB-UHFFFAOYSA-N -1 0 387.233 3.418 50 0 GGAARM O=C([O-])c1ccc(CNC(=O)Cn2ccc3cc(Br)ccc32)cc1 ZINC000032103774 564397036 /nfs/dbraw/zinc/39/70/36/564397036.db2.gz MTNINCSTZGJCDS-UHFFFAOYSA-N -1 0 387.233 3.418 50 0 GGAARM O=C([O-])[C@H](Cc1ccccc1Br)NC(=O)OCc1ccccc1 ZINC000034248173 564414284 /nfs/dbraw/zinc/41/42/84/564414284.db2.gz OTRUVLWVVBIRGJ-HNNXBMFYSA-N -1 0 378.222 3.371 50 0 GGAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2N)c(Cl)cc1Cl ZINC000035327275 564415048 /nfs/dbraw/zinc/41/50/48/564415048.db2.gz QVCWWBNKBYFZHZ-UHFFFAOYSA-N -1 0 375.233 3.163 50 0 GGAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 ZINC000036293784 564417698 /nfs/dbraw/zinc/41/76/98/564417698.db2.gz CVJZWTUKGIONTK-OAHLLOKOSA-N -1 0 381.837 3.370 50 0 GGAARM CCOC(=O)Cc1csc([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)n1 ZINC000039371181 564424401 /nfs/dbraw/zinc/42/44/01/564424401.db2.gz KACQGQGBDKICBL-UHFFFAOYSA-N -1 0 395.289 3.356 50 0 GGAARM NC(=O)c1c(SCC(=O)c2ccc(Cl)cc2)sc2c1[nH]c(=O)cc2[O-] ZINC000040286676 564427279 /nfs/dbraw/zinc/42/72/79/564427279.db2.gz HCAQNXHZPGWVAE-UHFFFAOYSA-N -1 0 394.861 3.023 50 0 GGAARM CCCOc1cc(S(=O)(=O)[N-]c2ncccc2C)ccc1Br ZINC000041096143 564429376 /nfs/dbraw/zinc/42/93/76/564429376.db2.gz DQIZYSGVYFBIFJ-UHFFFAOYSA-N -1 0 385.283 3.164 50 0 GGAARM O=C([O-])CCNC(=O)c1nc(SCc2ccccc2Cl)ncc1Cl ZINC000041156835 564430177 /nfs/dbraw/zinc/43/01/77/564430177.db2.gz WIPXRIASDDZJIZ-UHFFFAOYSA-N -1 0 386.260 3.280 50 0 GGAARM Cn1c2ccsc2c([O-])c(C(=O)Nc2ccc(Br)cc2)c1=O ZINC000049409472 564551617 /nfs/dbraw/zinc/55/16/17/564551617.db2.gz HRTRCLMAWGYDQY-UHFFFAOYSA-N -1 0 379.235 3.320 50 0 GGAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)cs2)cc1 ZINC000049543983 564552017 /nfs/dbraw/zinc/55/20/17/564552017.db2.gz MSHNUMFMEYFLEP-UHFFFAOYSA-N -1 0 377.447 3.471 50 0 GGAARM O=C([O-])c1ccc2c(c1)S[C@@H](CC(=O)Nc1cccc(Cl)c1)C(=O)N2 ZINC000061719253 564708202 /nfs/dbraw/zinc/70/82/02/564708202.db2.gz PHOSOYPZBKZUAD-AWEZNQCLSA-N -1 0 376.821 3.480 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)c2cc(-c3cccs3)[nH]n2)sc1C(C)C ZINC000095472989 564900442 /nfs/dbraw/zinc/90/04/42/564900442.db2.gz OMMLRWZJQXYDNV-UHFFFAOYSA-N -1 0 376.463 3.179 50 0 GGAARM CCOC(=O)C(C(=O)OCC)=C([O-])c1ccc(Cl)c(Br)c1 ZINC000096300514 564900899 /nfs/dbraw/zinc/90/08/99/564900899.db2.gz MLSLMTZLAZTCNK-UHFFFAOYSA-N -1 0 377.618 3.028 50 0 GGAARM O=C(Nc1cccc(Br)c1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621269 564914767 /nfs/dbraw/zinc/91/47/67/564914767.db2.gz VILKFSMSSAQMBR-UHFFFAOYSA-N -1 0 385.217 3.278 50 0 GGAARM Cc1nc2[n-]c(C(F)(F)F)nn2c(=O)c1Cc1ccc(Br)cc1 ZINC000101384264 564915506 /nfs/dbraw/zinc/91/55/06/564915506.db2.gz BTTDOTBLMCNKKX-UHFFFAOYSA-N -1 0 387.159 3.098 50 0 GGAARM CSCC[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)[O-] ZINC000584905913 567077473 /nfs/dbraw/zinc/07/74/73/567077473.db2.gz YLVARPTUYHTFJL-ZDUSSCGKSA-N -1 0 375.475 3.023 50 0 GGAARM Cc1oc(C)c(S(=O)(=O)N[C@@H]2CCc3sc(Cl)cc32)c1C(=O)[O-] ZINC000514638387 568278193 /nfs/dbraw/zinc/27/81/93/568278193.db2.gz ACLDDORHQUTNAY-SECBINFHSA-N -1 0 375.855 3.275 50 0 GGAARM COc1ccccc1-c1noc(CCCC(=O)Nc2cccc(C(=O)[O-])c2)n1 ZINC000019816336 570221585 /nfs/dbraw/zinc/22/15/85/570221585.db2.gz WIUPWCLSAKFPLI-UHFFFAOYSA-N -1 0 381.388 3.405 50 0 GGAARM O=C([O-])c1cc(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)ccc1Cl ZINC000020029299 570235942 /nfs/dbraw/zinc/23/59/42/570235942.db2.gz JBIYDFWYBTZGFA-UHFFFAOYSA-N -1 0 389.820 3.418 50 0 GGAARM COc1ccc(-c2nnc(NCCc3c[nH]c4ccc(C)cc34)[n-]c2=O)cc1 ZINC000004818461 570238658 /nfs/dbraw/zinc/23/86/58/570238658.db2.gz FSLRUFRFVSOZSO-UHFFFAOYSA-N -1 0 375.432 3.285 50 0 GGAARM COc1ccc2[nH]cc(CCNc3nnc(-c4ccc(F)cc4)c(=O)[n-]3)c2c1 ZINC000004818448 570238746 /nfs/dbraw/zinc/23/87/46/570238746.db2.gz SHISUQTWARUMKR-UHFFFAOYSA-N -1 0 379.395 3.116 50 0 GGAARM COCc1cc(=O)n2[n-]c(Cc3ccc(OC)cc3)c(-c3ccccc3)c2n1 ZINC000100664334 570274324 /nfs/dbraw/zinc/27/43/24/570274324.db2.gz GLVCPBDIJUATQD-UHFFFAOYSA-N -1 0 375.428 3.435 50 0 GGAARM Cc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2oc1=O ZINC000002094337 570274601 /nfs/dbraw/zinc/27/46/01/570274601.db2.gz YMWHXDPWLXIIJF-LIRRHRJNSA-N -1 0 395.411 3.119 50 0 biogenic GGAARM Cc1c2oc3c(c2cc2c(C)c(CCC(=O)NCC(=O)[O-])c(=O)oc12)CCCC3 ZINC000002107964 570274921 /nfs/dbraw/zinc/27/49/21/570274921.db2.gz WDTWGWTXNBNQSM-UHFFFAOYSA-N -1 0 397.427 3.168 50 0 biogenic GGAARM CCCn1c(=O)c(C(=O)Nc2ccsc2C(=O)OC)c([O-])c2ccccc21 ZINC000100732627 570275467 /nfs/dbraw/zinc/27/54/67/570275467.db2.gz ACNFMFMCLGXCGS-UHFFFAOYSA-N -1 0 386.429 3.218 50 0 GGAARM Cc1c(C)c2ccc(O[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)c2oc1=O ZINC000002157271 570276793 /nfs/dbraw/zinc/27/67/93/570276793.db2.gz CDKWACSMHPTBAQ-HOCLYGCPSA-N -1 0 389.448 3.101 50 0 biogenic GGAARM COc1ccc(Cc2n[n-]c(=S)n2-c2ccc(Cn3cncn3)cc2)cc1 ZINC000020745825 570279206 /nfs/dbraw/zinc/27/92/06/570279206.db2.gz SHLHSYVRIHGFRR-UHFFFAOYSA-N -1 0 378.461 3.169 50 0 GGAARM Cc1noc(C)c1CN1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(C)cc32)CC1 ZINC000020745641 570279307 /nfs/dbraw/zinc/27/93/07/570279307.db2.gz DQIAHYSICICJDD-HXUWFJFHSA-N -1 0 382.464 3.025 50 0 GGAARM Cc1nc(-n2cccc2)sc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000020761900 570279631 /nfs/dbraw/zinc/27/96/31/570279631.db2.gz JRVOGJJUEBCGAC-INIZCTEOSA-N -1 0 394.456 3.149 50 0 biogenic GGAARM CCOC(=O)[C@]([N-]c1ccc(F)cc1F)(NC(=O)c1ccco1)C(F)(F)F ZINC000002345252 570283526 /nfs/dbraw/zinc/28/35/26/570283526.db2.gz SKMQJGBRGAEDAA-HNNXBMFYSA-N -1 0 392.280 3.221 50 0 GGAARM CCOC(=O)[C@@]([N-]c1ccc(F)cc1F)(NC(=O)c1ccco1)C(F)(F)F ZINC000002345250 570283600 /nfs/dbraw/zinc/28/36/00/570283600.db2.gz SKMQJGBRGAEDAA-OAHLLOKOSA-N -1 0 392.280 3.221 50 0 GGAARM O=C([O-])C[C@H]1COc2ccccc2N1S(=O)(=O)c1ccc2ccccc2c1 ZINC000002513378 570289176 /nfs/dbraw/zinc/28/91/76/570289176.db2.gz BAEMWQSCOILBCD-INIZCTEOSA-N -1 0 383.425 3.271 50 0 GGAARM CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](O)C(=O)[O-] ZINC000002541679 570290342 /nfs/dbraw/zinc/29/03/42/570290342.db2.gz HZHTWMSZVZTEEL-VQTJNVASSA-N -1 0 383.444 3.385 50 0 GGAARM COc1cc(OC)cc(C(C)(C)OC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000002559998 570290889 /nfs/dbraw/zinc/29/08/89/570290889.db2.gz MRRFBTOYJLDDTC-SFHVURJKSA-N -1 0 387.432 3.361 50 0 GGAARM CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](O)CC(=O)[O-] ZINC000002562452 570290920 /nfs/dbraw/zinc/29/09/20/570290920.db2.gz CGAHTEKQUAIZFZ-FPOVZHCZSA-N -1 0 383.444 3.385 50 0 GGAARM COc1cc(CN(C)Cc2cnc3ccccc3n2)ccc1O[C@@H](C)C(=O)[O-] ZINC000216271399 570297880 /nfs/dbraw/zinc/29/78/80/570297880.db2.gz PHQRPWIYZWZBNN-AWEZNQCLSA-N -1 0 381.432 3.122 50 0 GGAARM COc1ccccc1N1C(=O)S/C(=C\c2ccccc2OCC(=O)[O-])C1=O ZINC000002813343 570304409 /nfs/dbraw/zinc/30/44/09/570304409.db2.gz JCZFCYVDUQZJDC-YBEGLDIGSA-N -1 0 385.397 3.400 50 0 GGAARM CC(C)C[C@@H](C(=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000002818049 570304736 /nfs/dbraw/zinc/30/47/36/570304736.db2.gz PGJVHPHCIWSPOX-LHBDJYESSA-N -1 0 389.451 3.378 50 0 GGAARM CCCCc1ccc(S(=O)(=O)[N-]NC(=S)Nc2ccc(F)cc2F)cc1 ZINC000002856183 570309778 /nfs/dbraw/zinc/30/97/78/570309778.db2.gz LUAVJAAIIASFID-UHFFFAOYSA-N -1 0 399.488 3.487 50 0 GGAARM COc1cc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)cc(OC)c1 ZINC000002887136 570316741 /nfs/dbraw/zinc/31/67/41/570316741.db2.gz BJUKUQSXVFKWCF-UHFFFAOYSA-N -1 0 398.440 3.248 50 0 GGAARM COc1ccc(N2C(=O)CC[C@@H](C(=O)[O-])[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000002944903 570319075 /nfs/dbraw/zinc/31/90/75/570319075.db2.gz HBZSNPJHTRNXPY-UZLBHIALSA-N -1 0 385.416 3.281 50 0 GGAARM O=C([O-])[C@@H](NC(=O)CCc1nc(-c2ccc3cc[nH]c3c2)no1)c1ccccc1 ZINC000218204417 570327608 /nfs/dbraw/zinc/32/76/08/570327608.db2.gz ROBUUFFKYVMDKV-IBGZPJMESA-N -1 0 390.399 3.093 50 0 GGAARM O=C([O-])c1ccccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000003196544 570332385 /nfs/dbraw/zinc/33/23/85/570332385.db2.gz ZEHVFWDMFSUWPJ-UHFFFAOYSA-N -1 0 386.363 3.438 50 0 GGAARM CNc1ccc([C@@H](C2=C([O-])COC2=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000100251674 570343691 /nfs/dbraw/zinc/34/36/91/570343691.db2.gz JZHJLZSLPYLQDG-GOSISDBHSA-N -1 0 385.416 3.255 50 0 GGAARM Cc1ccc(NC(=O)CSC2=Nc3ccc(F)cc3S(=O)(=O)[N-]2)c(C)c1 ZINC000004853619 570348424 /nfs/dbraw/zinc/34/84/24/570348424.db2.gz UAVZWCNSRGMPKT-UHFFFAOYSA-N -1 0 393.465 3.285 50 0 GGAARM COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)[O-])c(OC)c1 ZINC000004860351 570349818 /nfs/dbraw/zinc/34/98/18/570349818.db2.gz KKDCRKABMDMFKL-GOSISDBHSA-N -1 0 382.416 3.246 50 0 GGAARM COCCN1C[C@@H](Cc2ccc(-c3coc4cc([O-])ccc4c3=O)cc2)CC1=O ZINC000219288048 570351019 /nfs/dbraw/zinc/35/10/19/570351019.db2.gz UISGBFAYFHPOLI-INIZCTEOSA-N -1 0 393.439 3.203 50 0 GGAARM COCCN1C[C@H](Cc2ccc(-c3coc4cc([O-])ccc4c3=O)cc2)CC1=O ZINC000219288083 570351311 /nfs/dbraw/zinc/35/13/11/570351311.db2.gz UISGBFAYFHPOLI-MRXNPFEDSA-N -1 0 393.439 3.203 50 0 GGAARM Cc1cc(C)c(C)c(S(=O)(=O)N(C)c2ccc(OCC(=O)[O-])cc2)c1C ZINC000003884845 570353366 /nfs/dbraw/zinc/35/33/66/570353366.db2.gz XTKLSSNNGSQKGR-UHFFFAOYSA-N -1 0 377.462 3.209 50 0 GGAARM CCOC(=O)c1oc2c(C)c([O-])ccc2c(=O)c1-c1nncn1-c1ccccc1 ZINC000004058594 570356019 /nfs/dbraw/zinc/35/60/19/570356019.db2.gz CMKBGPWAWMYNPK-UHFFFAOYSA-N -1 0 391.383 3.231 50 0 GGAARM CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)CC1 ZINC000004241813 570363729 /nfs/dbraw/zinc/36/37/29/570363729.db2.gz VDAYHHAPFFLENF-CQSZACIVSA-N -1 0 388.386 3.384 50 0 GGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)cc1)C1CC1 ZINC000004411758 570374052 /nfs/dbraw/zinc/37/40/52/570374052.db2.gz GKYHGFRLPCUYHE-UHFFFAOYSA-N -1 0 382.445 3.022 50 0 GGAARM CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004521932 570381590 /nfs/dbraw/zinc/38/15/90/570381590.db2.gz DYSBKEOCHROEGX-OAHLLOKOSA-N -1 0 380.441 3.061 50 0 GGAARM COc1cc2c(cc1OC)[C@H](C(=O)[O-])[C@@H](c1ccc(SC)cc1)N(C)C2=O ZINC000004563265 570384788 /nfs/dbraw/zinc/38/47/88/570384788.db2.gz HFVAADLZVRXGFP-ZWKOTPCHSA-N -1 0 387.457 3.421 50 0 GGAARM CCOC(=O)c1c(CC)c(C)sc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000004611844 570387602 /nfs/dbraw/zinc/38/76/02/570387602.db2.gz PQUSXSFVKJVREF-WVWOOGAGSA-N -1 0 377.462 3.257 50 0 GGAARM O=C([O-])c1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccco2)cc1 ZINC000004976729 570387869 /nfs/dbraw/zinc/38/78/69/570387869.db2.gz AIRSCMFYWRSKCW-GHRIWEEISA-N -1 0 376.368 3.387 50 0 GGAARM COCCN1CCCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc21 ZINC000035588243 570402410 /nfs/dbraw/zinc/40/24/10/570402410.db2.gz WMMUCMMRIFZQPW-UHFFFAOYSA-N -1 0 382.432 3.165 50 0 GGAARM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)s1 ZINC000004750103 570402671 /nfs/dbraw/zinc/40/26/71/570402671.db2.gz FDSCIXJNUCRASJ-UHFFFAOYSA-N -1 0 388.474 3.208 50 0 GGAARM O=C(Nc1ccc2c(c1)OCO2)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000004756889 570403688 /nfs/dbraw/zinc/40/36/88/570403688.db2.gz GJPRNTOQUNJFHE-UHFFFAOYSA-N -1 0 396.424 3.468 50 0 GGAARM CCCCn1c2ccccc2c([O-])c(C(=O)NCc2ccccc2OC)c1=O ZINC000100621134 570415879 /nfs/dbraw/zinc/41/58/79/570415879.db2.gz KEKZSRROIZVKJM-UHFFFAOYSA-N -1 0 380.444 3.446 50 0 GGAARM NC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCCCC2 ZINC000004894267 570416081 /nfs/dbraw/zinc/41/60/81/570416081.db2.gz DIBZRFNZKOOPEM-VXGBXAGGSA-N -1 0 376.478 3.112 50 0 GGAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000239164952 570428243 /nfs/dbraw/zinc/42/82/43/570428243.db2.gz NFKMJDTZKAIYKS-IJLUTSLNSA-N -1 0 378.494 3.191 50 0 GGAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000239164951 570428287 /nfs/dbraw/zinc/42/82/87/570428287.db2.gz NFKMJDTZKAIYKS-GRYCIOLGSA-N -1 0 378.494 3.191 50 0 GGAARM CC[C@@H](C)[C@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000005102982 570429537 /nfs/dbraw/zinc/42/95/37/570429537.db2.gz AQDQXSSXSIVYML-WFOZFQAHSA-N -1 0 394.471 3.381 50 0 GGAARM CC(=O)N[C@H](CS[C@@H](CC(=O)c1ccc(C)cc1)c1ccco1)C(=O)[O-] ZINC000001896356 570439523 /nfs/dbraw/zinc/43/95/23/570439523.db2.gz YOGOGWMOYMTWKT-QAPCUYQASA-N -1 0 375.446 3.225 50 0 GGAARM CC(=O)N[C@@H](CS[C@@H](CC(=O)c1ccco1)c1ccc(C)cc1)C(=O)[O-] ZINC000001896364 570439539 /nfs/dbraw/zinc/43/95/39/570439539.db2.gz BRJQWYCYACSFKM-YJBOKZPZSA-N -1 0 375.446 3.225 50 0 GGAARM CCCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C(N)=O)c1=O ZINC000001907644 570441972 /nfs/dbraw/zinc/44/19/72/570441972.db2.gz HMEPBFJCFNBEGT-UHFFFAOYSA-N -1 0 393.443 3.249 50 0 GGAARM CSc1ccccc1C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000223130712 570445422 /nfs/dbraw/zinc/44/54/22/570445422.db2.gz BNMUDLGQFUXIIW-IAGOWNOFSA-N -1 0 387.457 3.073 50 0 GGAARM NC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCCCCC2 ZINC000005725568 570453591 /nfs/dbraw/zinc/45/35/91/570453591.db2.gz VHMOGCXEKBECKN-VXGBXAGGSA-N -1 0 378.494 3.336 50 0 GGAARM O=C([O-])c1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cccs2)C1=O ZINC000028296942 570457592 /nfs/dbraw/zinc/45/75/92/570457592.db2.gz PCAJRJFIRLWEGS-MDWZMJQESA-N -1 0 388.426 3.121 50 0 GGAARM CC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000005164398 570469749 /nfs/dbraw/zinc/46/97/49/570469749.db2.gz NMQDUOSWDARETR-MJGOQNOKSA-N -1 0 395.846 3.280 50 0 GGAARM CCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1 ZINC000006244058 570473972 /nfs/dbraw/zinc/47/39/72/570473972.db2.gz KFQMRIYXIAICIK-UHFFFAOYSA-N -1 0 376.478 3.334 50 0 GGAARM O=C([O-])c1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 ZINC000006276554 570475574 /nfs/dbraw/zinc/47/55/74/570475574.db2.gz BSROMFKSIHBJEK-UHFFFAOYSA-N -1 0 382.468 3.294 50 0 GGAARM Cn1c2cc(Cl)c(S(=O)(=O)[N-]c3ccc4c(c3)CCCC4)cc2oc1=O ZINC000006661882 570486740 /nfs/dbraw/zinc/48/67/40/570486740.db2.gz AKBCUSXGXADPQN-UHFFFAOYSA-N -1 0 392.864 3.465 50 0 GGAARM CCOc1ccccc1N1CCN(C(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])CC1 ZINC000006714326 570489791 /nfs/dbraw/zinc/48/97/91/570489791.db2.gz ZRQXDLYCJMEUDM-ROUUACIJSA-N -1 0 386.492 3.181 50 0 GGAARM CCOc1ccc2nc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)sc2c1 ZINC000007054995 570500552 /nfs/dbraw/zinc/50/05/52/570500552.db2.gz UQNBQCOCSDLZEN-UHFFFAOYSA-N -1 0 392.458 3.267 50 0 GGAARM O=C([O-])/C=C/C(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000002628645 570501381 /nfs/dbraw/zinc/50/13/81/570501381.db2.gz OFXBZCCQFPBYII-ZHACJKMWSA-N -1 0 381.819 3.450 50 0 GGAARM O=C([O-])CCC(=O)NCCn1c(-c2ccccc2)cs/c1=N/c1ccccc1 ZINC000002676717 570503448 /nfs/dbraw/zinc/50/34/48/570503448.db2.gz LCMHOSGIXSXQCL-XTQSDGFTSA-N -1 0 395.484 3.430 50 0 GGAARM Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N3CCC(C(=O)[O-])CC3)c(C)c21 ZINC000006624083 570508252 /nfs/dbraw/zinc/50/82/52/570508252.db2.gz PEXHVRQDLKSVDU-UHFFFAOYSA-N -1 0 397.427 3.330 50 0 biogenic GGAARM CC[C@H](NC(=O)Cc1c(C)c2c3oc(C)c(C)c3c(C)cc2oc1=O)C(=O)[O-] ZINC000006624217 570508325 /nfs/dbraw/zinc/50/83/25/570508325.db2.gz HUAXKTQWJRYZNV-AWEZNQCLSA-N -1 0 385.416 3.295 50 0 biogenic GGAARM CN1C(=O)N[C@H](c2ccccc2)C(=C([O-])c2cccs2)[C@]1(O)C(F)(F)F ZINC000006625607 570509711 /nfs/dbraw/zinc/50/97/11/570509711.db2.gz SDDKJSUCARZMKN-IOASZLSFSA-N -1 0 384.379 3.194 50 0 GGAARM CCn1cc(S(=O)(=O)[N-]c2c(C)nn(Cc3ccc(Cl)cc3)c2C)cn1 ZINC000002804939 570517735 /nfs/dbraw/zinc/51/77/35/570517735.db2.gz ZXSUQCLGFNXFHN-UHFFFAOYSA-N -1 0 393.900 3.219 50 0 GGAARM COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000036046381 570520693 /nfs/dbraw/zinc/52/06/93/570520693.db2.gz IGYFOWGPMVMYAL-XHBSWPGZSA-N -1 0 388.493 3.012 50 0 GGAARM CC1(C)[C@H](C(=O)Nc2ccc(C(=O)NC3CCCC3)c(Cl)c2)[C@@H]1C(=O)[O-] ZINC000071285887 570524503 /nfs/dbraw/zinc/52/45/03/570524503.db2.gz VFWPCOHRJNMSKQ-LSDHHAIUSA-N -1 0 378.856 3.308 50 0 GGAARM O=C(CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)NC1CCCCC1 ZINC000002975258 570525056 /nfs/dbraw/zinc/52/50/56/570525056.db2.gz PZBBSOUWLMLKNV-UHFFFAOYSA-N -1 0 389.477 3.017 50 0 GGAARM CC(NCc1cccc(F)c1)=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000006691214 570537928 /nfs/dbraw/zinc/53/79/28/570537928.db2.gz KODMDOAXKFRZTN-LFIBNONCSA-N -1 0 387.798 3.126 50 0 GGAARM CCCCCCN(C[C@@H](O)COc1cccc2ccccc21)S(=O)(=O)[O-] ZINC000022779722 570538439 /nfs/dbraw/zinc/53/84/39/570538439.db2.gz LFFSKNOWQKFDSC-QGZVFWFLSA-N -1 0 381.494 3.265 50 0 GGAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)cc1C ZINC000006703737 570544064 /nfs/dbraw/zinc/54/40/64/570544064.db2.gz PHDKUBWBGIOLLE-UHFFFAOYSA-N -1 0 388.489 3.431 50 0 GGAARM O=C([O-])c1ccc(OCc2nnc(C(=O)Nc3ccc(F)cc3F)s2)cc1 ZINC000034927253 570548058 /nfs/dbraw/zinc/54/80/58/570548058.db2.gz PMCGHPATMOFOKW-UHFFFAOYSA-N -1 0 391.355 3.346 50 0 GGAARM CCOc1ccc(S(=O)(=O)Nc2ccc(OC)c(N3CCCC3=O)c2)cc1 ZINC000005329655 570554647 /nfs/dbraw/zinc/55/46/47/570554647.db2.gz QMTIHJUYEOLPOL-UHFFFAOYSA-N -1 0 390.461 3.022 50 0 GGAARM CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855166 570557504 /nfs/dbraw/zinc/55/75/04/570557504.db2.gz SIFWHJUKXSWZJB-OAHLLOKOSA-N -1 0 392.912 3.258 50 0 GGAARM COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])cc2)cc1 ZINC000036293934 570562734 /nfs/dbraw/zinc/56/27/34/570562734.db2.gz CLTFKRIXLISUSH-SFHVURJKSA-N -1 0 377.462 3.140 50 0 GGAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cc1 ZINC000036558988 570565265 /nfs/dbraw/zinc/56/52/65/570565265.db2.gz DKKRXSGHPZBHGX-DOPJRALCSA-N -1 0 380.510 3.158 50 0 GGAARM COc1cccc(C(=O)CSc2nnc(Cc3ccccc3C)c(=O)[n-]2)c1 ZINC000036646237 570567478 /nfs/dbraw/zinc/56/74/78/570567478.db2.gz FPMJRLPEIPHQCU-UHFFFAOYSA-N -1 0 381.457 3.460 50 0 GGAARM CCOc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)[O-])cc1 ZINC000036724663 570568011 /nfs/dbraw/zinc/56/80/11/570568011.db2.gz YCJDKIWIBJAAQU-UHFFFAOYSA-N -1 0 385.445 3.422 50 0 GGAARM Cc1c(C)c2ccc(OCC(=O)N[C@@H](C(=O)[O-])c3ccccc3)c(C)c2oc1=O ZINC000006824892 570624082 /nfs/dbraw/zinc/62/40/82/570624082.db2.gz YWJHJPLLTWZKRL-LJQANCHMSA-N -1 0 395.411 3.039 50 0 GGAARM CC[C@H](Oc1ccccc1)c1nnc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)s1 ZINC000229717035 570666405 /nfs/dbraw/zinc/66/64/05/570666405.db2.gz KFCYNKIKHHPRKN-AVGNSLFASA-N -1 0 375.450 3.364 50 0 GGAARM CCC(N[C@H](C)c1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000005625212 570674389 /nfs/dbraw/zinc/67/43/89/570674389.db2.gz URKFDSIIRKYSHW-IWHJNQCMSA-N -1 0 393.443 3.293 50 0 GGAARM O=C([O-])[C@@H](Cn1cccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000685944935 570675760 /nfs/dbraw/zinc/67/57/60/570675760.db2.gz JOMKLUODADXTIR-HXUWFJFHSA-N -1 0 376.412 3.480 50 0 GGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)nc(C)n1 ZINC000003135844 570680492 /nfs/dbraw/zinc/68/04/92/570680492.db2.gz WFKXEWRYHBRJIB-UHFFFAOYSA-N -1 0 388.493 3.413 50 0 GGAARM CCc1ccccc1[N-]S(=O)(=O)c1c[nH]c2cc3cc(OC)c(OC)cc3n21 ZINC000032611948 570691025 /nfs/dbraw/zinc/69/10/25/570691025.db2.gz XECIPXAGNSZLCK-UHFFFAOYSA-N -1 0 399.472 3.157 50 0 GGAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000117997127 570698927 /nfs/dbraw/zinc/69/89/27/570698927.db2.gz BVEHJVDGBLGYCN-HXUWFJFHSA-N -1 0 389.411 3.170 50 0 GGAARM O=C([O-])c1cccc(NC(=O)Cn2c3ccccc3nc2-c2cncs2)c1 ZINC000004623984 570701079 /nfs/dbraw/zinc/70/10/79/570701079.db2.gz PZJCCTKSDQBTBE-UHFFFAOYSA-N -1 0 378.413 3.497 50 0 GGAARM CC[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])c2C(N)=O)C1 ZINC000004628699 570736262 /nfs/dbraw/zinc/73/62/62/570736262.db2.gz NFKMJDTZKAIYKS-WOPDTQHZSA-N -1 0 378.494 3.191 50 0 GGAARM O=S(=O)([N-]C[C@@H](O)c1ccc(-c2ccco2)cc1)c1c(F)cccc1F ZINC000585147837 570742110 /nfs/dbraw/zinc/74/21/10/570742110.db2.gz BITHGKHCNXTQLP-MRXNPFEDSA-N -1 0 379.384 3.237 50 0 GGAARM Cc1c2c(cc(=O)n1CCc1ccc(O)cc1)[n-]n(-c1ccc(F)cc1)c2=O ZINC000036579974 570744171 /nfs/dbraw/zinc/74/41/71/570744171.db2.gz HGFRAVZARVFHNM-UHFFFAOYSA-N -1 0 379.391 3.240 50 0 GGAARM Cc1ccc(C2=Nc3nc([N-]S(C)(=O)=O)nn3[C@@H](c3ccccc3)C2)cc1 ZINC000100876625 570778333 /nfs/dbraw/zinc/77/83/33/570778333.db2.gz GLPJUKUESVHUDI-QGZVFWFLSA-N -1 0 381.461 3.014 50 0 GGAARM Cc1ccc(C2=Nc3nc([N-]S(C)(=O)=O)nn3[C@H](c3ccccc3)C2)cc1 ZINC000100876631 570778436 /nfs/dbraw/zinc/77/84/36/570778436.db2.gz GLPJUKUESVHUDI-KRWDZBQOSA-N -1 0 381.461 3.014 50 0 GGAARM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cccs4)cc3)cn2n1 ZINC000011693575 570797621 /nfs/dbraw/zinc/79/76/21/570797621.db2.gz KGDHDXZMBUHBQA-UHFFFAOYSA-N -1 0 386.458 3.267 50 0 GGAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4C)c=3c2=O)cc1Cl ZINC000101168565 570814953 /nfs/dbraw/zinc/81/49/53/570814953.db2.gz OAWWKFBUPKAJJY-IRXDYDNUSA-N -1 0 384.823 3.150 50 0 GGAARM COc1cccc(C([O-])=CC(=O)C(=O)Nc2cc(Cl)c(OC)cc2OC)c1 ZINC000101354945 570819811 /nfs/dbraw/zinc/81/98/11/570819811.db2.gz BDILSSPAWKXILO-UHFFFAOYSA-N -1 0 391.807 3.146 50 0 GGAARM CCc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(Cl)c4)c(=O)c2=3)cc1 ZINC000101417918 570822757 /nfs/dbraw/zinc/82/27/57/570822757.db2.gz HOXPTBQYHKVMQU-ROUUACIJSA-N -1 0 398.850 3.404 50 0 GGAARM COc1ccc(CCn2cc3c(=O)n(-c4ccccc4)nc-3c(C(=O)[O-])c2)cc1 ZINC000101729777 570831744 /nfs/dbraw/zinc/83/17/44/570831744.db2.gz IIBJZKQDFIIMIV-UHFFFAOYSA-N -1 0 389.411 3.088 50 0 GGAARM CC[C@@H](Sc1nnc([N-]C(=O)c2cc(-c3ccco3)on2)s1)C(=O)OC ZINC000043939684 570841891 /nfs/dbraw/zinc/84/18/91/570841891.db2.gz DZWZGXCIGSTRLE-LLVKDONJSA-N -1 0 394.434 3.082 50 0 GGAARM O=C([O-])[C@H](C[C@@H]1CCOC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000226811548 570848081 /nfs/dbraw/zinc/84/80/81/570848081.db2.gz WMXXWGFTNHLUAL-XOBRGWDASA-N -1 0 381.428 3.405 50 0 GGAARM COc1ccccc1Cn1c(C)c2c(cc1=O)[n-]n(-c1ccc(F)cc1)c2=O ZINC000102492536 570849595 /nfs/dbraw/zinc/84/95/95/570849595.db2.gz BCRVOCBFYYCYOH-UHFFFAOYSA-N -1 0 379.391 3.349 50 0 GGAARM C[C@@H]1CCC[C@H](NC(=S)N[N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)[C@H]1C ZINC000102628184 570855070 /nfs/dbraw/zinc/85/50/70/570855070.db2.gz IHOUTULNJLPZEY-KEYYUXOJSA-N -1 0 397.610 3.466 50 0 GGAARM O=C(Cc1csc([N-]c2ncccn2)n1)NCCc1c[nH]c2ccccc12 ZINC000044227676 570872584 /nfs/dbraw/zinc/87/25/84/570872584.db2.gz GXTSAYJLEKYHIJ-UHFFFAOYSA-N -1 0 378.461 3.059 50 0 GGAARM CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CCC(=O)[O-] ZINC000003634536 570879551 /nfs/dbraw/zinc/87/95/51/570879551.db2.gz WPEZFKGHKAREEI-UHFFFAOYSA-N -1 0 377.418 3.404 50 0 GGAARM CCCCCn1c(=O)c2ccc(C(=O)NC[C@@H]3CCCO3)cc2[n-]c1=S ZINC000003631127 570879669 /nfs/dbraw/zinc/87/96/69/570879669.db2.gz QYLKMFNUQOCQFV-AWEZNQCLSA-N -1 0 375.494 3.158 50 0 GGAARM CCCOc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003765117 570883262 /nfs/dbraw/zinc/88/32/62/570883262.db2.gz WCECAJJYFLVTLP-GOSISDBHSA-N -1 0 377.462 3.278 50 0 GGAARM CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)cc1 ZINC000071286074 570888392 /nfs/dbraw/zinc/88/83/92/570888392.db2.gz BMVCMYWHQHLEIR-MSOLQXFVSA-N -1 0 380.444 3.254 50 0 GGAARM Cc1nc(NC(=O)c2cccc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])C3(C)C)c2)sc1C ZINC000071287758 570888784 /nfs/dbraw/zinc/88/87/84/570888784.db2.gz JVVGQJOEQBSRNU-KBPBESRZSA-N -1 0 387.461 3.308 50 0 GGAARM Cc1nc(NC(=O)c2cccc(NC(=O)[C@H]3[C@H](C(=O)[O-])C3(C)C)c2)sc1C ZINC000071287756 570888928 /nfs/dbraw/zinc/88/89/28/570888928.db2.gz JVVGQJOEQBSRNU-ZIAGYGMSSA-N -1 0 387.461 3.308 50 0 GGAARM O=C([O-])c1cnn(-c2nccc(-c3ccc4c(c3)OCO4)n2)c1-c1ccco1 ZINC000299788478 570895903 /nfs/dbraw/zinc/89/59/03/570895903.db2.gz PPLUTVDIZIFADQ-UHFFFAOYSA-N -1 0 376.328 3.016 50 0 GGAARM CCOc1ccc(-n2[nH][n-]c3c(=O)n(-c4cccc(SC)c4)c(=O)c2=3)cc1 ZINC000101277744 570900495 /nfs/dbraw/zinc/90/04/95/570900495.db2.gz APFHFFGQHPMICI-IRXDYDNUSA-N -1 0 382.445 3.305 50 0 GGAARM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CN(C(=O)CCC(C)C)CC3)no1 ZINC000077286737 570903467 /nfs/dbraw/zinc/90/34/67/570903467.db2.gz JRFNYEIEOQTYDA-UHFFFAOYSA-N -1 0 391.493 3.105 50 0 GGAARM CC(C)Oc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)Cc2ccccc2)cc1 ZINC000004580874 570911622 /nfs/dbraw/zinc/91/16/22/570911622.db2.gz JOQGFNSDXDJEFG-GOSISDBHSA-N -1 0 377.462 3.109 50 0 GGAARM CCCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(CC)cc(=O)oc2c1C)C(=O)[O-] ZINC000004046644 570924927 /nfs/dbraw/zinc/92/49/27/570924927.db2.gz MBSGLPJJKZLHQA-XJKSGUPXSA-N -1 0 389.448 3.191 50 0 biogenic GGAARM Cc1coc2cc3oc(=O)c(CCC(=O)N4CCC[C@H]4C(=O)[O-])c(C)c3cc12 ZINC000004063296 570928239 /nfs/dbraw/zinc/92/82/39/570928239.db2.gz XVQLNVLPHFZEJH-INIZCTEOSA-N -1 0 383.400 3.164 50 0 biogenic GGAARM COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccc2)c(=O)[n-]1 ZINC000001282212 570931843 /nfs/dbraw/zinc/93/18/43/570931843.db2.gz JOCLWVIJKIGPHU-UHFFFAOYSA-N -1 0 382.445 3.292 50 0 GGAARM CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCCCCCC(=O)[O-])ccc12 ZINC000002096102 570941354 /nfs/dbraw/zinc/94/13/54/570941354.db2.gz XOHCKINYCZVQBV-CQSZACIVSA-N -1 0 389.448 3.192 50 0 biogenic GGAARM CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000002103186 570942783 /nfs/dbraw/zinc/94/27/83/570942783.db2.gz WQCZTEYNLIZMQT-IBGZPJMESA-N -1 0 389.448 3.048 50 0 biogenic GGAARM COCCOCc1nc(=O)c2snc(-c3cccc(C(F)(F)F)c3)c2[n-]1 ZINC000585138601 570951078 /nfs/dbraw/zinc/95/10/78/570951078.db2.gz LQPQHFIBRBPPFU-UHFFFAOYSA-N -1 0 385.367 3.228 50 0 GGAARM CC(C)NC(=O)Cc1nc(=O)c2snc(-c3cccc(C(F)(F)F)c3)c2[n-]1 ZINC000585138654 570951124 /nfs/dbraw/zinc/95/11/24/570951124.db2.gz YUQPNFNWKRLGAY-UHFFFAOYSA-N -1 0 396.394 3.133 50 0 GGAARM CO[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@](C)(C(=O)[O-])C1 ZINC000521398764 570953722 /nfs/dbraw/zinc/95/37/22/570953722.db2.gz LMPQFWMCCLLYFK-JLCFBVMHSA-N -1 0 381.428 3.500 50 0 GGAARM CCCc1nnc(NC(=O)C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc2)s1 ZINC000003179105 570954999 /nfs/dbraw/zinc/95/49/99/570954999.db2.gz HYCAYDPMPYLQGT-LLVKDONJSA-N -1 0 386.399 3.239 50 0 GGAARM COc1cccc(CNC(=O)Cc2c(C)c3cc(Cl)c([O-])cc3oc2=O)c1 ZINC000004742596 570956862 /nfs/dbraw/zinc/95/68/62/570956862.db2.gz KCXMOXUSTISVPT-UHFFFAOYSA-N -1 0 387.819 3.328 50 0 GGAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2cnn(C[C@H]3COc4ccccc4O3)c2)c1 ZINC000208000132 570957209 /nfs/dbraw/zinc/95/72/09/570957209.db2.gz UPYQYEJPQBLDKG-KRWDZBQOSA-N -1 0 399.472 3.141 50 0 GGAARM COC(=O)c1sccc1S(=O)(=O)NC[C@H](c1ccco1)c1cccs1 ZINC000585146680 570975828 /nfs/dbraw/zinc/97/58/28/570975828.db2.gz BNMMCCKIUMDRJF-LLVKDONJSA-N -1 0 397.499 3.300 50 0 GGAARM CC1(C)CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C(=O)[O-])CO1 ZINC000725240742 570995366 /nfs/dbraw/zinc/99/53/66/570995366.db2.gz ZTEUKEQTBSTKNW-IBGZPJMESA-N -1 0 381.428 3.500 50 0 GGAARM COc1ccccc1[C@@H]1CN(C(=O)c2cccc(-c3ncc[nH]3)c2)C[C@H]1C(=O)[O-] ZINC000091462681 571009222 /nfs/dbraw/zinc/00/92/22/571009222.db2.gz MLRSVEIYFWKMGS-ZWKOTPCHSA-N -1 0 391.427 3.026 50 0 GGAARM COc1cc(F)c(C(=O)N2C[C@@H](c3ccccc3C)[C@H](C(=O)[O-])C2)c(F)c1 ZINC000091486243 571010366 /nfs/dbraw/zinc/01/03/66/571010366.db2.gz BHIXFDAFLPEFPS-LSDHHAIUSA-N -1 0 375.371 3.222 50 0 GGAARM COc1ccc(F)c(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](C(=O)[O-])C2)c1F ZINC000091819682 571031749 /nfs/dbraw/zinc/03/17/49/571031749.db2.gz HFEBBUAWTKEKGS-QWHCGFSZSA-N -1 0 379.334 3.053 50 0 GGAARM COc1ccccc1[C@@H]1CN(C(=O)c2ccc3cccnc3c2)C[C@H]1C(=O)[O-] ZINC000091973949 571038521 /nfs/dbraw/zinc/03/85/21/571038521.db2.gz VHRHZKQRYJTWBB-ZWKOTPCHSA-N -1 0 376.412 3.184 50 0 GGAARM COc1ccccc1[C@@H]1CN(C(=O)c2cnc3ccccc3c2)C[C@H]1C(=O)[O-] ZINC000092028186 571041539 /nfs/dbraw/zinc/04/15/39/571041539.db2.gz BNFDKDCUYWQVJD-ZWKOTPCHSA-N -1 0 376.412 3.184 50 0 GGAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)c2cccc(-n3cccn3)c2)CC1 ZINC000095356027 571052461 /nfs/dbraw/zinc/05/24/61/571052461.db2.gz BWBOWPFWVDKDBO-UHFFFAOYSA-N -1 0 375.428 3.131 50 0 GGAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C2)c1 ZINC000095358535 571053699 /nfs/dbraw/zinc/05/36/99/571053699.db2.gz BEANXIHWURORGI-MRXNPFEDSA-N -1 0 376.416 3.190 50 0 GGAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3cc(-c4ccccn4)n[nH]3)C2)c1 ZINC000095358534 571053915 /nfs/dbraw/zinc/05/39/15/571053915.db2.gz BEANXIHWURORGI-INIZCTEOSA-N -1 0 376.416 3.190 50 0 GGAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)COCC(F)(F)C(F)F)C2)c1 ZINC000095363841 571056936 /nfs/dbraw/zinc/05/69/36/571056936.db2.gz WSBIDCUXLSOTSE-CYBMUJFWSA-N -1 0 377.334 3.008 50 0 GGAARM O=C([O-])[C@@H](c1cc2ccccc2o1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000095364426 571057483 /nfs/dbraw/zinc/05/74/83/571057483.db2.gz HVUNZGXYOFKYHY-HXUWFJFHSA-N -1 0 382.391 3.042 50 0 GGAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)n[nH]3)C2)c1 ZINC000095364602 571057491 /nfs/dbraw/zinc/05/74/91/571057491.db2.gz DCKJPPKSXCXKAT-QGZVFWFLSA-N -1 0 376.416 3.190 50 0 GGAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)CN3CCc4ccccc4C3)C2)cc1 ZINC000095368192 571059329 /nfs/dbraw/zinc/05/93/29/571059329.db2.gz YRXNPNSDTFBMBI-NRFANRHFSA-N -1 0 378.472 3.149 50 0 GGAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(-n3cccn3)c2)cc1 ZINC000095368813 571059780 /nfs/dbraw/zinc/05/97/80/571059780.db2.gz MGLJKYYYFYRRBZ-IBGZPJMESA-N -1 0 379.416 3.217 50 0 GGAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3ccc(SCCO)cc3)C2)c1 ZINC000095374290 571063341 /nfs/dbraw/zinc/06/33/41/571063341.db2.gz GUNZUTNLBRGIIE-GOSISDBHSA-N -1 0 385.485 3.489 50 0 GGAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CCc3nc(-c4ccco4)no3)C2)cc1 ZINC000095380533 571067238 /nfs/dbraw/zinc/06/72/38/571067238.db2.gz LTPUCOUMFWMKJI-MRXNPFEDSA-N -1 0 395.415 3.367 50 0 GGAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3ccc(Cn4ccnc4)o3)C2)c1 ZINC000095387778 571071296 /nfs/dbraw/zinc/07/12/96/571071296.db2.gz RRERNMBDKIZEIF-QGZVFWFLSA-N -1 0 379.416 3.242 50 0 GGAARM COc1ccc(-c2cc(C(=O)N[C@H](C)C(=O)[O-])c3ccccc3n2)cc1OC ZINC000206412476 602253054 /nfs/dbraw/zinc/25/30/54/602253054.db2.gz HGHRQEIEQLDTLM-GFCCVEGCSA-N -1 0 380.400 3.122 50 0 GGAARM Cc1cc(C)nc(NC(=O)[N-]S(=O)(=O)Nc2ccc(-c3ccccc3)cc2)n1 ZINC000000754110 1398300652 /nfs/dbraw/zinc/30/06/52/1398300652.db2.gz FLROEYTWCGANRL-UHFFFAOYSA-N -1 0 397.460 3.239 50 0 GGAARM Cc1nn(-c2ccccc2)c2c1cc1c(=O)[n-]c(=O)nc-1n2-c1ccc(C)c(C)c1 ZINC000002221842 1398304548 /nfs/dbraw/zinc/30/45/48/1398304548.db2.gz ZFMYMFZSGNQUJB-UHFFFAOYSA-N -1 0 397.438 3.290 50 0 GGAARM Cc1nn(-c2ccccc2)c2c1cc1c(=O)[n-]c(=O)nc-1n2-c1ccc(C)cc1C ZINC000002258188 1398305683 /nfs/dbraw/zinc/30/56/83/1398305683.db2.gz LRDGJFYCSKLUDP-UHFFFAOYSA-N -1 0 397.438 3.290 50 0 aggregator GGAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cnn(Cc2cccc(C(F)(F)F)c2)c1 ZINC000002804945 1398319631 /nfs/dbraw/zinc/31/96/31/1398319631.db2.gz VPYQIQVRFCGWSM-UHFFFAOYSA-N -1 0 399.398 3.091 50 0 GGAARM CCc1nc2sc3c(c2c(-n2[n-]c(=O)c4ccccc4c2=O)n1)CCCC3 ZINC000002905277 1398320918 /nfs/dbraw/zinc/32/09/18/1398320918.db2.gz HSOYTKIMICFEPG-UHFFFAOYSA-N -1 0 378.457 3.125 50 0 GGAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1 ZINC000002889852 1398321304 /nfs/dbraw/zinc/32/13/04/1398321304.db2.gz IVRUFJGEKOEVND-UHFFFAOYSA-N -1 0 389.477 3.035 50 0 GGAARM CCCC[C@H](CC)CNC(=O)C[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O ZINC000002966948 1398323470 /nfs/dbraw/zinc/32/34/70/1398323470.db2.gz QFMZBTJFMFYFRS-XJKSGUPXSA-N -1 0 386.521 3.077 50 0 GGAARM COc1c(C)cc([C@H](C(=O)[O-])N2CCN(c3ccccc3C#N)CC2)cc1C ZINC000055386449 1406945554 /nfs/dbraw/zinc/94/55/54/1406945554.db2.gz GEKATVCECBUNJJ-HXUWFJFHSA-N -1 0 379.460 3.132 50 0 GGAARM O=C([O-])c1cccc(N2C(=O)c3ccc(C(=O)Oc4ccccc4)cc3C2=O)c1 ZINC000003196045 1398327823 /nfs/dbraw/zinc/32/78/23/1398327823.db2.gz GZIAUUMRTFAMMM-UHFFFAOYSA-N -1 0 387.347 3.405 50 0 GGAARM COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)[O-])cc1OC ZINC000004173417 1398382276 /nfs/dbraw/zinc/38/22/76/1398382276.db2.gz VIAZDFKDHOMFDW-CQSZACIVSA-N -1 0 388.445 3.308 50 0 GGAARM CCOc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)c(=O)[n-]1 ZINC000004317374 1398392495 /nfs/dbraw/zinc/39/24/95/1398392495.db2.gz GQKXEFQGMNFGND-UHFFFAOYSA-N -1 0 396.472 3.298 50 0 GGAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000004810247 1398404020 /nfs/dbraw/zinc/40/40/20/1398404020.db2.gz ZAXMGUJWDUXQID-OALUTQOASA-N -1 0 380.444 3.446 50 0 GGAARM COc1ccccc1N1CCN(Cc2n[n-]c(=S)n2-c2ccccc2)CC1 ZINC000004982082 1398408992 /nfs/dbraw/zinc/40/89/92/1398408992.db2.gz FCYFZOOPBPWXJL-UHFFFAOYSA-N -1 0 381.505 3.261 50 0 GGAARM CCCOC(=O)c1ccccc1NC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000005738250 1398472288 /nfs/dbraw/zinc/47/22/88/1398472288.db2.gz ACSKQENNTFFYOC-UHFFFAOYSA-N -1 0 380.400 3.063 50 0 GGAARM Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N3CCC[C@H](C(=O)[O-])C3)c(C)c21 ZINC000008764408 1398846295 /nfs/dbraw/zinc/84/62/95/1398846295.db2.gz KNXKTCHMFRNWOD-AWEZNQCLSA-N -1 0 397.427 3.330 50 0 biogenic GGAARM CCC(Nc1ccc(NC(C)=O)cc1)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000009111544 1398853906 /nfs/dbraw/zinc/85/39/06/1398853906.db2.gz OBOAGFYJHVYLAK-ISLYRVAYSA-N -1 0 392.415 3.004 50 0 GGAARM CC(C)(C)Nc1nc(Cl)nc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000012381509 1399040517 /nfs/dbraw/zinc/04/05/17/1399040517.db2.gz RXHMIBMIQGTYSM-UHFFFAOYSA-N -1 0 376.269 3.190 50 0 GGAARM Cc1ccc(-n2cc(CNCc3n[nH]c(=O)[n-]3)c(-c3ccc(F)cc3)n2)cc1 ZINC000019222634 1399328698 /nfs/dbraw/zinc/32/86/98/1399328698.db2.gz QFBHLNLNJULBHG-UHFFFAOYSA-N -1 0 378.411 3.100 50 0 GGAARM Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCN(C)CC3)c([O-])n2n1 ZINC000020216008 1399344598 /nfs/dbraw/zinc/34/45/98/1399344598.db2.gz FZTLDQWMKMBPQE-KRWDZBQOSA-N -1 0 385.537 3.265 50 0 GGAARM CCN1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2cccc(Cl)c2)CC1 ZINC000022458994 1399465753 /nfs/dbraw/zinc/46/57/53/1399465753.db2.gz CFLWTSWYDFAHMF-OAHLLOKOSA-N -1 0 391.928 3.185 50 0 GGAARM CCc1nc2sc([C@H](c3ccc(CC)cc3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022578092 1399479309 /nfs/dbraw/zinc/47/93/09/1399479309.db2.gz GRBPFWJRVJTOBD-SFHVURJKSA-N -1 0 399.564 3.348 50 0 GGAARM CCc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022577822 1399479320 /nfs/dbraw/zinc/47/93/20/1399479320.db2.gz LTOHDAHGZQFGDK-OAHLLOKOSA-N -1 0 391.928 3.049 50 0 GGAARM O=S(=O)([N-]c1ccccc1OC[C@H]1CCCCO1)c1c[nH]c2ncccc12 ZINC000057124581 1407527767 /nfs/dbraw/zinc/52/77/67/1407527767.db2.gz ZVGIETRHTHQLFT-CQSZACIVSA-N -1 0 387.461 3.312 50 0 GGAARM Cc1c([C@H]2SCC(=O)Nc3c2cnn3-c2ccc(C(=O)[O-])cc2)cnn1C ZINC000095475291 1410314048 /nfs/dbraw/zinc/31/40/48/1410314048.db2.gz ZEOCJETYEOOGJH-MRXNPFEDSA-N -1 0 383.433 3.037 50 0 GGAARM CN(Cc1csc(-c2ccccc2)n1)C(=O)c1ccccc1-c1nnn[n-]1 ZINC000072448510 1423412063 /nfs/dbraw/zinc/41/20/63/1423412063.db2.gz INYSCXKJFHGMSY-UHFFFAOYSA-N -1 0 376.445 3.262 50 0 GGAARM c1cnn(Cc2ccccc2-c2c(-c3ccccc3)ncn2Cc2nnn[n-]2)c1 ZINC000067723514 1423605402 /nfs/dbraw/zinc/60/54/02/1423605402.db2.gz IUKVNWRBPHESOO-UHFFFAOYSA-N -1 0 382.431 3.023 50 0 GGAARM O=C(c1ccccc1-c1nn[n-]n1)N1CCCC[C@@H]1CCc1cccc(O)c1 ZINC000077554811 1423923647 /nfs/dbraw/zinc/92/36/47/1423923647.db2.gz ZVMWMOXBPXFCRM-MRXNPFEDSA-N -1 0 377.448 3.200 50 0 GGAARM Cc1ccc(OC[C@@H]2CCCN(C(=O)c3ccccc3-c3nn[n-]n3)C2)cc1 ZINC000072421305 1424197566 /nfs/dbraw/zinc/19/75/66/1424197566.db2.gz YQSPOJCJKRPUGD-MRXNPFEDSA-N -1 0 377.448 3.106 50 0 GGAARM c1cc(-c2c(-c3ccccc3)ncn2CCc2nnn[n-]2)n(-c2cccnc2)c1 ZINC000067774979 1424812161 /nfs/dbraw/zinc/81/21/61/1424812161.db2.gz ZWVMZNFFBKDALA-UHFFFAOYSA-N -1 0 382.431 3.159 50 0 GGAARM COc1ccc(C[C@H](C(=O)Nc2ccc(C(C)C)cc2)c2nnn[n-]2)c(OC)c1 ZINC000006359026 1450133695 /nfs/dbraw/zinc/13/36/95/1450133695.db2.gz HYFAFFOKZFZXIK-SFHVURJKSA-N -1 0 395.463 3.305 50 0 GGAARM O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccc(N2CCC2=O)c1 ZINC000263105467 962257144 /nfs/dbraw/zinc/25/71/44/962257144.db2.gz VDGQVGBNIVYLCR-KRWDZBQOSA-N -1 0 381.432 3.021 50 0 GGAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)CCC(=O)c2cccs2)c(OC)c1 ZINC000263225738 962377790 /nfs/dbraw/zinc/37/77/90/962377790.db2.gz ANTFJIYNZZMGAB-AWEZNQCLSA-N -1 0 391.445 3.060 50 0 GGAARM Cc1cc(C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)CC[C@]3(C(=O)[O-])C2)cc(=O)[nH]1 ZINC000426571681 231242823 /nfs/dbraw/zinc/24/28/23/231242823.db2.gz WLWGQEJWKKKLOY-ZJBJCVSYSA-N -1 0 380.444 3.206 50 0 GGAARM O=C([O-])c1ccc(CNC(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)o1 ZINC000426606815 231246401 /nfs/dbraw/zinc/24/64/01/231246401.db2.gz WTJPCMSWDQDWKQ-UHFFFAOYSA-N -1 0 386.404 3.361 50 0 GGAARM Cc1ccc(NC(=O)N2CCC[C@@H](c3ccn(CC(=O)[O-])n3)C2)cc1Cl ZINC000426465471 231223079 /nfs/dbraw/zinc/22/30/79/231223079.db2.gz PAYKGDSNXFQRHW-CYBMUJFWSA-N -1 0 376.844 3.341 50 0 GGAARM COc1ccc(-c2nnc(SCC(=O)[O-])n2Cc2ccccc2)cc1OC ZINC000000644004 203844774 /nfs/dbraw/zinc/84/47/74/203844774.db2.gz XNDSDXMKQQZRCO-UHFFFAOYSA-N -1 0 385.445 3.187 50 0 GGAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 ZINC000000799317 203854981 /nfs/dbraw/zinc/85/49/81/203854981.db2.gz IMAAPPXGGBLKCQ-UHFFFAOYSA-N -1 0 387.244 3.071 50 0 GGAARM Cc1cc(C([O-])=CS(=O)(=O)c2ccccc2)cc(C)c1OC(=O)N(C)C ZINC000001400797 203906446 /nfs/dbraw/zinc/90/64/46/203906446.db2.gz AAHUMVOTCJGEFN-UHFFFAOYSA-N -1 0 375.446 3.020 50 0 GGAARM CCOC(=O)c1c(N)n(-c2ccc(C(=O)[O-])cc2)c2nc3ccccc3nc21 ZINC000001940181 203923989 /nfs/dbraw/zinc/92/39/89/203923989.db2.gz YNADDVBEPBFMAE-UHFFFAOYSA-N -1 0 376.372 3.031 50 0 GGAARM Cc1nn(C[C@H](C)C(=O)Nc2cccc(C(=O)[O-])c2)c(C)c1Br ZINC000002795561 203962734 /nfs/dbraw/zinc/96/27/34/203962734.db2.gz OVDUIENPMKAQAY-VIFPVBQESA-N -1 0 380.242 3.235 50 0 GGAARM CCn1ncc(S(=O)(=O)[N-]c2ccn(Cc3ccc(F)cc3Cl)n2)c1C ZINC000002804953 203964589 /nfs/dbraw/zinc/96/45/89/203964589.db2.gz PLBSZAQWUNTYCC-UHFFFAOYSA-N -1 0 397.863 3.050 50 0 GGAARM CCOC(=O)[C@]([N-]c1ccccc1F)(NC(=O)c1ccccc1)C(F)(F)F ZINC000003138033 203987581 /nfs/dbraw/zinc/98/75/81/203987581.db2.gz KICYSEYCCKGACH-KRWDZBQOSA-N -1 0 384.329 3.489 50 0 GGAARM O=C([O-])[C@H](CSC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000002575491 203950116 /nfs/dbraw/zinc/95/01/16/203950116.db2.gz PXKPRICKEUGRRR-INIZCTEOSA-N -1 0 389.429 3.436 50 0 GGAARM CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](O)C(=O)[O-] ZINC000002583271 203950293 /nfs/dbraw/zinc/95/02/93/203950293.db2.gz HZHTWMSZVZTEEL-WOJBJXKFSA-N -1 0 383.444 3.385 50 0 GGAARM COc1ccc(Cc2nnc(SCC(=O)Nc3cccc(C)c3)[n-]c2=O)cc1 ZINC000004317340 204038336 /nfs/dbraw/zinc/03/83/36/204038336.db2.gz RMSFFOIMURWHGZ-UHFFFAOYSA-N -1 0 396.472 3.216 50 0 GGAARM COc1cccc(NC(=O)CSc2nnc(Cc3ccc(C)cc3)c(=O)[n-]2)c1 ZINC000004317302 204038375 /nfs/dbraw/zinc/03/83/75/204038375.db2.gz DKWJPKWVFLLFNQ-UHFFFAOYSA-N -1 0 396.472 3.216 50 0 GGAARM COc1cc(OC)cc(C(C)(C)OC(=O)N[C@H](C(=O)[O-])[C@@H](C)OC(C)(C)C)c1 ZINC000004336688 204039197 /nfs/dbraw/zinc/03/91/97/204039197.db2.gz SOQQTRRWZFYKMZ-WBMJQRKESA-N -1 0 397.468 3.322 50 0 GGAARM [O-]C(c1cccs1)=C1[C@@H](c2cccs2)NC(=S)N[C@@]1(O)C(F)(F)F ZINC000004387924 204043493 /nfs/dbraw/zinc/04/34/93/204043493.db2.gz XMMPUZPGAPNETH-CWSCBRNRSA-N -1 0 392.449 3.078 50 0 GGAARM Cc1cc(Br)c(NC(=O)CSCC(=O)[O-])c(Br)c1 ZINC000003444819 204007752 /nfs/dbraw/zinc/00/77/52/204007752.db2.gz LVLZIWMSFSWAHE-UHFFFAOYSA-N -1 0 397.088 3.276 50 0 GGAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000003624756 204015044 /nfs/dbraw/zinc/01/50/44/204015044.db2.gz DHANNWBTIMDOCB-KRWDZBQOSA-N -1 0 377.824 3.450 50 0 GGAARM CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000003624346 204015713 /nfs/dbraw/zinc/01/57/13/204015713.db2.gz SJQORWBGPWVSHC-KRWDZBQOSA-N -1 0 387.432 3.438 50 0 GGAARM Cc1cc(C)c(C)c(S(=O)(=O)NC[C@@H](CC(=O)[O-])c2ccccc2)c1C ZINC000003623211 204015875 /nfs/dbraw/zinc/01/58/75/204015875.db2.gz MYMOJOAZKZTVDH-GOSISDBHSA-N -1 0 375.490 3.457 50 0 GGAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)COc2ccc(Cl)cc2)cc1 ZINC000003624755 204016006 /nfs/dbraw/zinc/01/60/06/204016006.db2.gz DHANNWBTIMDOCB-QGZVFWFLSA-N -1 0 377.824 3.450 50 0 GGAARM COC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)CCC(=O)[O-] ZINC000003634514 204017280 /nfs/dbraw/zinc/01/72/80/204017280.db2.gz LHDRRNQOUGZVSV-UHFFFAOYSA-N -1 0 393.417 3.022 50 0 GGAARM CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])c2ccccc2Br)CC1 ZINC000004241758 204034203 /nfs/dbraw/zinc/03/42/03/204034203.db2.gz LAOOWVCIPRHIPL-AWEZNQCLSA-N -1 0 399.285 3.128 50 0 GGAARM CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000004241807 204034753 /nfs/dbraw/zinc/03/47/53/204034753.db2.gz IYIQZDBAVIZZOC-CQSZACIVSA-N -1 0 388.386 3.384 50 0 GGAARM CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004262137 204036275 /nfs/dbraw/zinc/03/62/75/204036275.db2.gz BDHUTRNYBGWPBL-HNNXBMFYSA-N -1 0 380.441 3.061 50 0 biogenic,in-vitro GGAARM C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1cnn(CCCC(=O)[O-])c1 ZINC000004697932 204065338 /nfs/dbraw/zinc/06/53/38/204065338.db2.gz MITUJBONWBTJHY-SNVBAGLBSA-N -1 0 386.235 3.461 50 0 GGAARM CCOC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000004727598 204069264 /nfs/dbraw/zinc/06/92/64/204069264.db2.gz AEZPLGATRISGDK-UHFFFAOYSA-N -1 0 382.507 3.347 50 0 GGAARM O=S(=O)(Cc1ccccc1)[N-]c1nnc(CCCOc2ccccc2)s1 ZINC000004731640 204069995 /nfs/dbraw/zinc/06/99/95/204069995.db2.gz VXZPHZKFHMDAEQ-UHFFFAOYSA-N -1 0 389.502 3.492 50 0 GGAARM O=S(=O)([O-])c1nc2ccccc2n1CCOc1ccc(Br)cc1 ZINC000004810030 204077110 /nfs/dbraw/zinc/07/71/10/204077110.db2.gz QUTIVWAUXZEGBL-UHFFFAOYSA-N -1 0 397.250 3.125 50 0 GGAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000004810249 204077393 /nfs/dbraw/zinc/07/73/93/204077393.db2.gz ZAXMGUJWDUXQID-RTBURBONSA-N -1 0 380.444 3.446 50 0 GGAARM Cc1nnc(N2C(=O)c3ccc(Oc4ccc(C(=O)[O-])cc4)cc3C2=O)s1 ZINC000004824873 204079547 /nfs/dbraw/zinc/07/95/47/204079547.db2.gz FOVCOYGDYSWMHE-UHFFFAOYSA-N -1 0 381.369 3.138 50 0 GGAARM O=C([O-])CCCCCNC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000004837222 204080695 /nfs/dbraw/zinc/08/06/95/204080695.db2.gz QZKMCBHFRLKEIW-CYVLTUHYSA-N -1 0 398.434 3.358 50 0 GGAARM CCOc1ccc(Br)cc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000004869113 204085001 /nfs/dbraw/zinc/08/50/01/204085001.db2.gz MSXCNUDWZGEHNC-UHFFFAOYSA-N -1 0 378.222 3.476 50 0 GGAARM Cc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C(N)=O)c1-c1ccccc1 ZINC000004892006 204087444 /nfs/dbraw/zinc/08/74/44/204087444.db2.gz KYOOXYDEMYCELY-UONOGXRCSA-N -1 0 384.457 3.428 50 0 GGAARM Cc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(C(N)=O)c1-c1ccccc1 ZINC000004892001 204087498 /nfs/dbraw/zinc/08/74/98/204087498.db2.gz KYOOXYDEMYCELY-KBPBESRZSA-N -1 0 384.457 3.428 50 0 GGAARM CCCCOc1ccc(CNC(=O)[N-]S(=O)(=O)c2ccc(OC)cc2)cc1 ZINC000004412088 204044426 /nfs/dbraw/zinc/04/44/26/204044426.db2.gz KYUBLJPPJGWITI-UHFFFAOYSA-N -1 0 392.477 3.062 50 0 GGAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4C)c=3c2=O)cc1Cl ZINC000004483890 204046929 /nfs/dbraw/zinc/04/69/29/204046929.db2.gz OAWWKFBUPKAJJY-SJORKVTESA-N -1 0 384.823 3.150 50 0 GGAARM COc1ccc(/C=C/c2ccnc([N-]S(=O)(=O)c3ccc(N)cc3)n2)cc1 ZINC000004497829 204048642 /nfs/dbraw/zinc/04/86/42/204048642.db2.gz SLTIGRCKDMWGBM-FARCUNLSSA-N -1 0 382.445 3.039 50 0 GGAARM CC(C)(C)OC(=O)N[C@H](CCCCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004521274 204049431 /nfs/dbraw/zinc/04/94/31/204049431.db2.gz BDHUTRNYBGWPBL-OAHLLOKOSA-N -1 0 380.441 3.061 50 0 biogenic,in-vitro GGAARM Cc1[nH][nH]c(=O)c1C(c1ccc(-c2cccc(C(=O)[O-])c2)o1)c1c(C)[nH][nH]c1=O ZINC000004540538 204051031 /nfs/dbraw/zinc/05/10/31/204051031.db2.gz YEEBRLYWONMNBK-UHFFFAOYSA-N -1 0 394.387 3.299 50 0 GGAARM COc1ccc(/C=C\C(=O)Oc2ccc([C@H]3N[C@H](C(=O)[O-])CS3)cc2)cc1 ZINC000004554652 204053611 /nfs/dbraw/zinc/05/36/11/204053611.db2.gz OQTROSVEURESEK-REUPQREUSA-N -1 0 385.441 3.102 50 0 GGAARM CCOC(=O)c1[nH]c(C)c(CN(Cc2ccccc2)C(=O)CCC(=O)[O-])c1C ZINC000004594235 204056793 /nfs/dbraw/zinc/05/67/93/204056793.db2.gz AMHWCRNRRHKURC-UHFFFAOYSA-N -1 0 386.448 3.202 50 0 GGAARM CCOc1ccc(CCNC(=O)[C@H]2CC(C)=CC[C@H]2C(=O)[O-])cc1OCC ZINC000004601067 204056877 /nfs/dbraw/zinc/05/68/77/204056877.db2.gz JLDZZDJAVLQKOA-SJORKVTESA-N -1 0 375.465 3.200 50 0 GGAARM CCOc1ccc(CCNC(=O)[C@@H]2CC(C)=CC[C@H]2C(=O)[O-])cc1OCC ZINC000004601064 204057298 /nfs/dbraw/zinc/05/72/98/204057298.db2.gz JLDZZDJAVLQKOA-IAGOWNOFSA-N -1 0 375.465 3.200 50 0 GGAARM C[C@H](Sc1nnc2n(CCOc3ccccc3)c3ccccc3n12)C(=O)[O-] ZINC000004661547 204061037 /nfs/dbraw/zinc/06/10/37/204061037.db2.gz SFYQDCHXRHFNHE-ZDUSSCGKSA-N -1 0 382.445 3.328 50 0 GGAARM C/C(=C\c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000004674038 204062500 /nfs/dbraw/zinc/06/25/00/204062500.db2.gz YNRFQOPGISOSGI-CCEZHUSRSA-N -1 0 394.456 3.319 50 0 GGAARM COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCCC(=O)[O-] ZINC000004677190 204062867 /nfs/dbraw/zinc/06/28/67/204062867.db2.gz RREZRSKOVWPBSB-UHFFFAOYSA-N -1 0 386.404 3.150 50 0 GGAARM O=C([O-])CN(CCc1ccccc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000004679849 204063181 /nfs/dbraw/zinc/06/31/81/204063181.db2.gz JCUOCJVWBXQDQX-UHFFFAOYSA-N -1 0 388.272 3.311 50 0 GGAARM O=C(Nc1nccs1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000005184574 204117307 /nfs/dbraw/zinc/11/73/07/204117307.db2.gz PQVLXBFRSVGMMO-UHFFFAOYSA-N -1 0 377.422 3.335 50 0 GGAARM Cc1c(O)ccc2c(C)c(CCC(=O)Nc3ccc(CCO)cc3)c(=O)oc12 ZINC000005345626 204126531 /nfs/dbraw/zinc/12/65/31/204126531.db2.gz XWIFZQYEOMOTMT-UHFFFAOYSA-N -1 0 381.428 3.222 50 0 GGAARM CCOC(=O)Nc1ccncc1S(=O)(=O)[N-]c1cccc(OC(C)C)c1 ZINC000005729270 204148975 /nfs/dbraw/zinc/14/89/75/204148975.db2.gz RFNVMZNQLSTWOU-UHFFFAOYSA-N -1 0 379.438 3.238 50 0 GGAARM Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)[N-]C(=O)N(c2c(C)cc(C)cc2C)C1=O ZINC000005750766 204150439 /nfs/dbraw/zinc/15/04/39/204150439.db2.gz YRFCFNJYODSOHX-HSZRJFAPSA-N -1 0 391.471 3.182 50 0 GGAARM CC(NCc1ccccc1Cl)=C1C(=O)[N-]C(=O)N(c2ccccc2F)C1=O ZINC000005799056 204151479 /nfs/dbraw/zinc/15/14/79/204151479.db2.gz IRMTUEKNGGFPRA-LFIBNONCSA-N -1 0 387.798 3.126 50 0 GGAARM CC(C)CC(=O)NC(=S)Nc1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000005858297 204154754 /nfs/dbraw/zinc/15/47/54/204154754.db2.gz WRCWBQWULZDPHU-UHFFFAOYSA-N -1 0 397.547 3.408 50 0 GGAARM COc1ccc(NC(=O)[C@@]2(CC(=O)[O-])CC(/C=C/c3ccccc3)=NO2)cc1 ZINC000005451685 204133178 /nfs/dbraw/zinc/13/31/78/204133178.db2.gz PRYUSEUOYNGVIZ-CQQBXOTJSA-N -1 0 380.400 3.337 50 0 GGAARM CCc1cc2c(cc1OCC(=O)[O-])occ(-c1nncn1-c1ccccc1)c2=O ZINC000006787036 204205839 /nfs/dbraw/zinc/20/58/39/204205839.db2.gz DBYBVVWGCDDBPU-UHFFFAOYSA-N -1 0 391.383 3.067 50 0 GGAARM O=C([O-])[C@H](CSCc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006240120 204172159 /nfs/dbraw/zinc/17/21/59/204172159.db2.gz PSJIPZBGGOSGQD-HNNXBMFYSA-N -1 0 385.894 3.005 50 0 GGAARM O=S(=O)([N-]NC(=S)Nc1cc(Cl)ccc1Cl)c1ccccc1 ZINC000006885448 204220195 /nfs/dbraw/zinc/22/01/95/204220195.db2.gz FZYNVXUCCKHFRR-UHFFFAOYSA-N -1 0 376.290 3.173 50 0 GGAARM Cc1ccc(CNC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CCC3)cc1 ZINC000006700316 204192559 /nfs/dbraw/zinc/19/25/59/204192559.db2.gz QCRLWECZTRNENO-UHFFFAOYSA-N -1 0 386.473 3.279 50 0 GGAARM CC[C@H](C)[C@H](NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)C(=O)[O-] ZINC000006713320 204194217 /nfs/dbraw/zinc/19/42/17/204194217.db2.gz GTEFOGWPVOIPOB-WFASDCNBSA-N -1 0 387.402 3.036 50 0 GGAARM CC(=O)c1ccc(NC(=O)[C@@]2(CC(=O)[O-])CC(c3ccc(C)cc3)=NO2)cc1 ZINC000006719820 204194802 /nfs/dbraw/zinc/19/48/02/204194802.db2.gz GKDQUVSYHUKIGN-NRFANRHFSA-N -1 0 380.400 3.174 50 0 GGAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(Cl)c(OC)cc1OC ZINC000006916815 204224165 /nfs/dbraw/zinc/22/41/65/204224165.db2.gz SEZYIDWFUJRZIM-UHFFFAOYSA-N -1 0 391.854 3.006 50 0 GGAARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=C1C[C@H](c2cccs2)NN1 ZINC000008971056 204294078 /nfs/dbraw/zinc/29/40/78/204294078.db2.gz PBYDFOIAINOSOL-QTQPHVRFSA-N -1 0 388.836 3.318 50 0 GGAARM CCC(Nc1ccc(N(C)C)cc1)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000008974727 204295178 /nfs/dbraw/zinc/29/51/78/204295178.db2.gz WDKNTGKZWATYIR-ISLYRVAYSA-N -1 0 378.432 3.112 50 0 GGAARM COc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc(C)ccc4N(C)C3)C2=O)cc1 ZINC000009009884 204296241 /nfs/dbraw/zinc/29/62/41/204296241.db2.gz LTFIUCRPPFFKFI-OAQYLSRUSA-N -1 0 379.416 3.106 50 0 GGAARM CCC(Nc1ccc(OC)cc1OC)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000009015884 204296860 /nfs/dbraw/zinc/29/68/60/204296860.db2.gz WRTUKYZQBJHQII-OBGWFSINSA-N -1 0 395.415 3.063 50 0 GGAARM CC(Nc1ccc2c(c1)CCC2)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000009013386 204296930 /nfs/dbraw/zinc/29/69/30/204296930.db2.gz UBGOOTXYXPUCFP-XMHGGMMESA-N -1 0 375.428 3.453 50 0 GGAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(OC)c(Cl)cc2OC)cc1 ZINC000008132614 204263320 /nfs/dbraw/zinc/26/33/20/204263320.db2.gz QJDGGISOTQCUNH-UHFFFAOYSA-N -1 0 399.852 3.335 50 0 GGAARM CCn1nc([N-]S(=O)(=O)c2ccc(OC)cc2)c2cc3ccccc3nc21 ZINC000009087700 204297979 /nfs/dbraw/zinc/29/79/79/204297979.db2.gz JDCZAKZHVQNTFU-UHFFFAOYSA-N -1 0 382.445 3.414 50 0 GGAARM O=C([O-])CCC(=O)Nc1nc2n(n1)[C@H](c1ccccc1)CC(c1ccccc1)=N2 ZINC000009233162 204303576 /nfs/dbraw/zinc/30/35/76/204303576.db2.gz VGHOBLSMDZQTJI-KRWDZBQOSA-N -1 0 389.415 3.137 50 0 GGAARM Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)[N-]C(=O)N(c2cccc3ccccc32)C1=O ZINC000009245523 204304750 /nfs/dbraw/zinc/30/47/50/204304750.db2.gz SDKITPVRUVCUKQ-DEOSSOPVSA-N -1 0 399.450 3.410 50 0 GGAARM Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)[N-]C(=O)N(c2cccc3ccccc32)C1=O ZINC000009245522 204304952 /nfs/dbraw/zinc/30/49/52/204304952.db2.gz SDKITPVRUVCUKQ-XMMPIXPASA-N -1 0 399.450 3.410 50 0 GGAARM Cc1ccccc1NC(=O)CSc1nc([O-])cc(=O)n1-c1ccccc1C ZINC000009335059 204307467 /nfs/dbraw/zinc/30/74/67/204307467.db2.gz VFKHMNZWUYDVDQ-UHFFFAOYSA-N -1 0 381.457 3.286 50 0 GGAARM COc1ccc2c(c1)c([C@H](C(=O)[O-])[N@H+]1C[C@H](C)C[C@H](C)C1)cn2CCC(=O)[O-] ZINC000036369968 204321069 /nfs/dbraw/zinc/32/10/69/204321069.db2.gz CVZYCCJMVMSEJF-LAPQFRIASA-N -1 0 388.464 3.228 50 0 biogenic GGAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C)[nH]n3)s2)cc1 ZINC000009686490 204321234 /nfs/dbraw/zinc/32/12/34/204321234.db2.gz WWVYIJNMYXXSSF-UHFFFAOYSA-N -1 0 391.474 3.424 50 0 GGAARM CSCC[C@@H](NC(=O)CCn1ccc2cc(Br)ccc21)C(=O)[O-] ZINC000036576242 204322516 /nfs/dbraw/zinc/32/25/16/204322516.db2.gz LNEMUKHWDPQUFU-CYBMUJFWSA-N -1 0 399.310 3.116 50 0 GGAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Cc1csc(-c2ccccc2F)n1 ZINC000036569497 204322561 /nfs/dbraw/zinc/32/25/61/204322561.db2.gz WOZKBIZWHKBSNP-QGZVFWFLSA-N -1 0 384.432 3.304 50 0 GGAARM CCc1c([O-])nc(SCC(=O)NC2CCCCC2)n(-c2ccccc2)c1=O ZINC000009969708 204327821 /nfs/dbraw/zinc/32/78/21/204327821.db2.gz ZYLCQNJVXPTWNI-UHFFFAOYSA-N -1 0 387.505 3.042 50 0 GGAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3s2)cc1NC(C)=O ZINC000011615552 204348409 /nfs/dbraw/zinc/34/84/09/204348409.db2.gz RUIQPUQNFBEDCX-UHFFFAOYSA-N -1 0 395.437 3.203 50 0 GGAARM O=C([O-])CCC(=O)N1N=C(c2ccc(F)cc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000011692694 204351594 /nfs/dbraw/zinc/35/15/94/204351594.db2.gz MDLWWUUUWLSFOG-LJQANCHMSA-N -1 0 392.390 3.311 50 0 GGAARM Cc1coc2cc3oc(=O)c(CCC(=O)N[C@@H](C(=O)[O-])C(C)C)c(C)c3cc12 ZINC000011865396 204357786 /nfs/dbraw/zinc/35/77/86/204357786.db2.gz PYULVGRVKXCJOD-LJQANCHMSA-N -1 0 385.416 3.314 50 0 GGAARM CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])[C@H](C)CC)ccc12 ZINC000011866783 204358407 /nfs/dbraw/zinc/35/84/07/204358407.db2.gz GDLHEECSLQKGOI-YNKQFZHNSA-N -1 0 389.448 3.047 50 0 GGAARM CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])[C@H](C)CC)ccc12 ZINC000011866785 204360068 /nfs/dbraw/zinc/36/00/68/204360068.db2.gz SVKUVJVFUWNETR-VPZZIHKRSA-N -1 0 389.448 3.128 50 0 GGAARM Cc1ccc(-n2cc(CN(C)Cc3n[nH]c(=O)[n-]3)c(-c3cccc(C)c3)n2)cc1 ZINC000011934878 204362479 /nfs/dbraw/zinc/36/24/79/204362479.db2.gz RYFWEGYSRURWCV-UHFFFAOYSA-N -1 0 388.475 3.200 50 0 GGAARM CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000013364389 204488206 /nfs/dbraw/zinc/48/82/06/204488206.db2.gz OGRTVIBRWOTGHP-UHFFFAOYSA-N -1 0 396.472 3.318 50 0 GGAARM CC(C)CCn1c2n[n-]c(=S)n2c2cc(C(=O)NC3CCCC3)ccc2c1=O ZINC000013363178 204488319 /nfs/dbraw/zinc/48/83/19/204488319.db2.gz HNGRKHKTYDCKHH-UHFFFAOYSA-N -1 0 399.520 3.425 50 0 GGAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCCC2 ZINC000017079684 204606615 /nfs/dbraw/zinc/60/66/15/204606615.db2.gz KWYUYBQCBIIDEB-QWHCGFSZSA-N -1 0 390.505 3.349 50 0 GGAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCCC2 ZINC000017079685 204606959 /nfs/dbraw/zinc/60/69/59/204606959.db2.gz KWYUYBQCBIIDEB-STQMWFEESA-N -1 0 390.505 3.349 50 0 GGAARM NC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCc1ccccc1-2 ZINC000017081017 204608373 /nfs/dbraw/zinc/60/83/73/204608373.db2.gz BNIADBZZTPKISR-KGLIPLIRSA-N -1 0 396.468 3.218 50 0 GGAARM COc1ccccc1-c1noc(CCCC(=O)Nc2ccc(C(=O)[O-])cc2)n1 ZINC000019816338 204685904 /nfs/dbraw/zinc/68/59/04/204685904.db2.gz REYSLXPVGCFTEI-UHFFFAOYSA-N -1 0 381.388 3.405 50 0 GGAARM O=C([O-])CCn1cc([C@@H](C(=O)[O-])[NH+]2CCCC2)c2ccc(Br)cc21 ZINC000036354951 205014537 /nfs/dbraw/zinc/01/45/37/205014537.db2.gz IPSAJEJUVORWSE-INIZCTEOSA-N -1 0 395.253 3.100 50 0 GGAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCCCC2)c2ccc(Br)cc21 ZINC000036360393 205014845 /nfs/dbraw/zinc/01/48/45/205014845.db2.gz CJPVEYMEDQEPRI-MRXNPFEDSA-N -1 0 395.253 3.100 50 0 GGAARM CC(C)C[C@H](NC(=O)CCn1ccc2ccc(Br)cc21)C(=O)[O-] ZINC000036370105 205015190 /nfs/dbraw/zinc/01/51/90/205015190.db2.gz PSMTZSNYYXCXJS-AWEZNQCLSA-N -1 0 381.270 3.409 50 0 biogenic GGAARM CC(C)C[C@H](NC(=O)CCn1ccc2cc(Br)ccc21)C(=O)[O-] ZINC000036369950 205015330 /nfs/dbraw/zinc/01/53/30/205015330.db2.gz NWRHGGNYKDKHEN-AWEZNQCLSA-N -1 0 381.270 3.409 50 0 biogenic GGAARM C[C@@H]1C[C@H](C)C[N@H+]([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(Cl)ccc23)C1 ZINC000036366942 205015342 /nfs/dbraw/zinc/01/53/42/205015342.db2.gz PXNCHQQZUARSEF-FTLABTOESA-N -1 0 378.856 3.483 50 0 GGAARM CC[C@@H](C)[C@H](NC(=O)CCn1ccc2cc(Br)ccc21)C(=O)[O-] ZINC000036370110 205015448 /nfs/dbraw/zinc/01/54/48/205015448.db2.gz WFUFRDLDHGCTPI-BZNIZROVSA-N -1 0 381.270 3.409 50 0 biogenic GGAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 ZINC000036558983 205017201 /nfs/dbraw/zinc/01/72/01/205017201.db2.gz DKKRXSGHPZBHGX-FSPWUOQZSA-N -1 0 380.510 3.158 50 0 GGAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(COc3ccc(Br)cc3)o2)N1 ZINC000036624051 205020383 /nfs/dbraw/zinc/02/03/83/205020383.db2.gz RSCFUYATJACIHZ-JSGCOSHPSA-N -1 0 384.251 3.409 50 0 GGAARM COc1ccc([C@H]2c3nc[nH]c3CCN2C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000040310339 205023399 /nfs/dbraw/zinc/02/33/99/205023399.db2.gz UIYYITPAOAQXEA-IBGZPJMESA-N -1 0 392.415 3.296 50 0 biogenic GGAARM CCc1ccc(OCCS(=O)(=O)[N-]c2cc(NC(C)=O)ccc2OC)cc1 ZINC000070637847 205023699 /nfs/dbraw/zinc/02/36/99/205023699.db2.gz HEUGKUMHTWMMER-UHFFFAOYSA-N -1 0 392.477 3.037 50 0 GGAARM CCOC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000072325101 205031219 /nfs/dbraw/zinc/03/12/19/205031219.db2.gz UMPGTJNBGUPLKC-HNNXBMFYSA-N -1 0 395.411 3.090 50 0 biogenic GGAARM O=C([O-])c1ccc(NC(=O)N2CCc3[nH]cnc3[C@@H]2c2cccc(F)c2)cc1 ZINC000040284671 205061649 /nfs/dbraw/zinc/06/16/49/205061649.db2.gz YFXHVYVLLUJNSJ-SFHVURJKSA-N -1 0 380.379 3.427 50 0 GGAARM Cc1nn2c(ncc3c(=O)n([C@@H](C)C(=O)[O-])ccc32)c1-c1ccc(Cl)cc1 ZINC000040397645 205063335 /nfs/dbraw/zinc/06/33/35/205063335.db2.gz KYOYFTIDIFKZMI-NSHDSACASA-N -1 0 382.807 3.319 50 0 GGAARM Cc1nn2c(ncc3c(=O)n(CCC(=O)[O-])ccc32)c1-c1ccc(Cl)cc1 ZINC000040397657 205064465 /nfs/dbraw/zinc/06/44/65/205064465.db2.gz HCAUIJSQOHHOGP-UHFFFAOYSA-N -1 0 382.807 3.148 50 0 GGAARM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2c1cccc2Br)C(=O)[O-] ZINC000040566516 205067854 /nfs/dbraw/zinc/06/78/54/205067854.db2.gz XQVLODKGIHVFTP-LBPRGKRZSA-N -1 0 383.242 3.451 50 0 GGAARM Cc1cc(-c2csc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)c2)on1 ZINC000049545293 205128685 /nfs/dbraw/zinc/12/86/85/205128685.db2.gz GPKSMVGVQBVSGJ-UHFFFAOYSA-N -1 0 378.431 3.284 50 0 GGAARM COc1ccc(-c2cc(C(=O)[N-]c3nc(SC)ns3)no2)cc1OC ZINC000046086559 205104391 /nfs/dbraw/zinc/10/43/91/205104391.db2.gz MZAIHBSQFUDROX-UHFFFAOYSA-N -1 0 378.435 3.185 50 0 GGAARM CCOC(=O)C[C@@H]1CC(=O)C2=C([O-])c3c(c(Br)ccc3OC)[C@@H]2C1 ZINC000051495359 205132928 /nfs/dbraw/zinc/13/29/28/205132928.db2.gz VPGVJCKTBSSIHD-PUTJDCORSA-N -1 0 395.249 3.286 50 0 GGAARM CCOC(=O)C[C@@H]1CC(=O)C2=C([O-])c3c(c(Br)ccc3OC)[C@H]2C1 ZINC000051495354 205133661 /nfs/dbraw/zinc/13/36/61/205133661.db2.gz VPGVJCKTBSSIHD-IEVXNVSRSA-N -1 0 395.249 3.286 50 0 GGAARM O=C([O-])CNc1ccccc1C(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000055226131 205146433 /nfs/dbraw/zinc/14/64/33/205146433.db2.gz YEQYBHPSGFDACC-UHFFFAOYSA-N -1 0 396.443 3.497 50 0 GGAARM O=C(CSc1nc(=O)c2sccc2[n-]1)NCc1ccc(F)c(Cl)c1 ZINC000051317251 205131225 /nfs/dbraw/zinc/13/12/25/205131225.db2.gz RIRCFTSMBFKLGX-UHFFFAOYSA-N -1 0 383.857 3.186 50 0 GGAARM O=C([O-])c1ccc2c(c1)S[C@H](CC(=O)Nc1ccc(F)cc1F)C(=O)N2 ZINC000061717606 205181515 /nfs/dbraw/zinc/18/15/15/205181515.db2.gz KUBJWUSBXORCAH-CQSZACIVSA-N -1 0 378.356 3.105 50 0 GGAARM CC(=O)Nc1cccc(NC(=O)C[C@@H]2Sc3cc(C(=O)[O-])ccc3NC2=O)c1 ZINC000061718620 205181579 /nfs/dbraw/zinc/18/15/79/205181579.db2.gz WTIHSMAZEYLYKH-INIZCTEOSA-N -1 0 399.428 3.434 50 0 GGAARM COc1ccccc1[C@@H]1CNC(=O)c2nc(C(=O)Nc3ccccc3C)[n-]c2C1 ZINC000065375317 205232898 /nfs/dbraw/zinc/23/28/98/205232898.db2.gz PGZLPDXIQKQBTL-AWEZNQCLSA-N -1 0 390.443 3.049 50 0 GGAARM O=C([O-])c1ccccc1-c1c(-c2ccccc2)ncn1[C@H]1CCS(=O)(=O)C1 ZINC000065407615 205233419 /nfs/dbraw/zinc/23/34/19/205233419.db2.gz IBOGRFRZIYFAGG-HNNXBMFYSA-N -1 0 382.441 3.275 50 0 GGAARM O=C([O-])CSc1nnc(Cc2ccc(O)cc2)n1-c1cccc(Cl)c1 ZINC000065417511 205235225 /nfs/dbraw/zinc/23/52/25/205235225.db2.gz VFAHNSPFCDXVJI-UHFFFAOYSA-N -1 0 375.837 3.394 50 0 GGAARM CCn1nc(C(=O)[O-])c2c1CCN(C(=O)C(c1ccccc1)c1ccccc1)C2 ZINC000067692128 205253749 /nfs/dbraw/zinc/25/37/49/205253749.db2.gz ZCCMBUSHPXIARB-UHFFFAOYSA-N -1 0 389.455 3.318 50 0 GGAARM O=C([O-])c1nn(CCCc2ccccc2)c2c1CN(C(=O)c1ccccc1)CC2 ZINC000067727054 205257079 /nfs/dbraw/zinc/25/70/79/205257079.db2.gz UIMJVGIEDMATQQ-UHFFFAOYSA-N -1 0 389.455 3.413 50 0 GGAARM COC[C@H]1CCCN(C(=O)c2ccc(-c3ccc(CCC(=O)[O-])cc3)nc2)C1 ZINC000067834475 205262006 /nfs/dbraw/zinc/26/20/06/205262006.db2.gz ZEJICFMVOOIXAG-KRWDZBQOSA-N -1 0 382.460 3.264 50 0 GGAARM O=C([O-])c1n[nH]cc1CN1CCc2[nH]nc(-c3ccc(C(F)(F)F)cc3)c2C1 ZINC000067817891 205262591 /nfs/dbraw/zinc/26/25/91/205262591.db2.gz CRTKVLRKLDKALI-UHFFFAOYSA-N -1 0 391.353 3.075 50 0 GGAARM CC(C)CCn1nc(C(=O)[O-])c2c1CCN(C(=O)[C@@H]1CCc3ccccc31)C2 ZINC000067869368 205264397 /nfs/dbraw/zinc/26/43/97/205264397.db2.gz DEOPPHXOCYFJKZ-QGZVFWFLSA-N -1 0 381.476 3.242 50 0 GGAARM Cc1[nH]cnc1-c1nnc(SCC(=O)[O-])n1-c1ccccc1C(F)(F)F ZINC000067866899 205264605 /nfs/dbraw/zinc/26/46/05/205264605.db2.gz JMPBPLKNTYEYIE-UHFFFAOYSA-N -1 0 383.355 3.161 50 0 GGAARM CCN(CCc1nc2cc(C)ccc2[nH]1)C(=O)c1ccccc1NCC(=O)[O-] ZINC000067956283 205269818 /nfs/dbraw/zinc/26/98/18/205269818.db2.gz NZAWGUJPDVVZRB-UHFFFAOYSA-N -1 0 380.448 3.073 50 0 GGAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccccc2)c1C(=O)Nc1cc(F)cc(F)c1 ZINC000067349995 205246540 /nfs/dbraw/zinc/24/65/40/205246540.db2.gz CLXIJNBWMXKXRM-UHFFFAOYSA-N -1 0 392.387 3.049 50 0 GGAARM CCCCNC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccc(C(=O)[O-])cc12 ZINC000067341239 205247491 /nfs/dbraw/zinc/24/74/91/205247491.db2.gz MMAHAXHRTLQXQH-UHFFFAOYSA-N -1 0 377.447 3.212 50 0 GGAARM Cc1c(C(=O)[O-])sc2ncnc(NC3CCN(C(=O)CC(C)C)CC3)c12 ZINC000067490229 205248500 /nfs/dbraw/zinc/24/85/00/205248500.db2.gz ZMPKZMRKSRQMBW-UHFFFAOYSA-N -1 0 376.482 3.147 50 0 GGAARM O=C([O-])c1ccccc1CC(=O)Nc1cccc(C(=O)Nc2cccnc2)c1 ZINC000071286382 205280443 /nfs/dbraw/zinc/28/04/43/205280443.db2.gz LUNRZATXVBQRDM-UHFFFAOYSA-N -1 0 375.384 3.213 50 0 GGAARM O=C([O-])c1ccccc1CC(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 ZINC000071286816 205280476 /nfs/dbraw/zinc/28/04/76/205280476.db2.gz HOKOJOKDAUPEAU-UHFFFAOYSA-N -1 0 375.384 3.213 50 0 GGAARM COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000071285188 205280649 /nfs/dbraw/zinc/28/06/49/205280649.db2.gz ZNGSVQWWEJIXPX-IRXDYDNUSA-N -1 0 382.416 3.243 50 0 GGAARM O=C([O-])c1ccccc1CC(=O)Nc1cccc(C(=O)NCc2ccco2)c1 ZINC000071285748 205280756 /nfs/dbraw/zinc/28/07/56/205280756.db2.gz DTYDYRWSPKIWLT-UHFFFAOYSA-N -1 0 378.384 3.089 50 0 GGAARM COc1ccc(Cc2nnc(NC(=O)Cc3ccccc3C(=O)[O-])s2)cc1 ZINC000071288670 205280843 /nfs/dbraw/zinc/28/08/43/205280843.db2.gz JXHCAANYAIVMAV-UHFFFAOYSA-N -1 0 383.429 3.017 50 0 GGAARM CC1(C)[C@H](C(=O)Nc2ccc(Cl)c(C(=O)NC3CCCC3)c2)[C@@H]1C(=O)[O-] ZINC000071288460 205281370 /nfs/dbraw/zinc/28/13/70/205281370.db2.gz LQVGIZSCYPGZAS-LSDHHAIUSA-N -1 0 378.856 3.308 50 0 GGAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCC2)c1 ZINC000071288466 205281427 /nfs/dbraw/zinc/28/14/27/205281427.db2.gz LQVGIZSCYPGZAS-CABCVRRESA-N -1 0 378.856 3.308 50 0 GGAARM CC(=O)c1cccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)NC(C)C)c2)c1F ZINC000071750746 205291243 /nfs/dbraw/zinc/29/12/43/205291243.db2.gz CVZSAAXTPDMXFG-UHFFFAOYSA-N -1 0 379.409 3.080 50 0 GGAARM O=C([O-])c1cc(-c2ccc(-n3cccn3)cc2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000071762558 205294654 /nfs/dbraw/zinc/29/46/54/205294654.db2.gz IRAWPXPDPHQYBF-UHFFFAOYSA-N -1 0 397.456 3.022 50 0 GGAARM Cc1c(-c2ccccc2)nn2c1ncc(C(=O)Nc1ccc(C(=O)[O-])cc1)c2N ZINC000071279807 205279550 /nfs/dbraw/zinc/27/95/50/205279550.db2.gz OGQPBWWDNFUKKW-UHFFFAOYSA-N -1 0 387.399 3.237 50 0 GGAARM COc1ccc(CCc2nnc(NC(=O)Cc3ccccc3C(=O)[O-])s2)cc1 ZINC000071284270 205279866 /nfs/dbraw/zinc/27/98/66/205279866.db2.gz GWTUOVMFVZWXNO-UHFFFAOYSA-N -1 0 397.456 3.211 50 0 GGAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 ZINC000071284589 205280155 /nfs/dbraw/zinc/28/01/55/205280155.db2.gz XSBZJYZYUZUBTA-CABCVRRESA-N -1 0 387.823 3.283 50 0 GGAARM Cn1nc(-c2cccs2)cc1C(=O)N1CC[C@H](c2ccccc2C(=O)[O-])C1 ZINC000072129468 205306762 /nfs/dbraw/zinc/30/67/62/205306762.db2.gz ZPQYBPMEWYBHSA-ZDUSSCGKSA-N -1 0 381.457 3.477 50 0 GGAARM CO[C@@H](C)c1cccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)NC(C)C)c2)c1 ZINC000072132933 205307566 /nfs/dbraw/zinc/30/75/66/205307566.db2.gz JKLWBJURVLKHPL-ZDUSSCGKSA-N -1 0 377.462 3.446 50 0 GGAARM Cc1ccc(-c2cc(CN3CCCn4nc(CCC(=O)[O-])cc4C3)on2)cc1 ZINC000072429874 205351049 /nfs/dbraw/zinc/35/10/49/205351049.db2.gz FQHHIQZLVILQCT-UHFFFAOYSA-N -1 0 380.448 3.270 50 0 GGAARM CC(=O)N1CCC2(C[C@@H](C(=O)[O-])N(C(=O)c3ccc(C)c4ccccc34)C2)CC1 ZINC000072457377 205352335 /nfs/dbraw/zinc/35/23/35/205352335.db2.gz SNPMZRVDBSLNRF-FQEVSTJZSA-N -1 0 394.471 3.076 50 0 GGAARM O=C([O-])CCc1cc2n(n1)CCCN(C(=O)C1(c3ccccc3)CCCC1)C2 ZINC000072447116 205353022 /nfs/dbraw/zinc/35/30/22/205353022.db2.gz YKHRJIBIAZJCRA-UHFFFAOYSA-N -1 0 381.476 3.145 50 0 GGAARM O=C([O-])c1ccc(C[C@H]2CCN(C(=O)c3cccc(-n4cccn4)c3)C2)cc1 ZINC000072481556 205355067 /nfs/dbraw/zinc/35/50/67/205355067.db2.gz OLPKZCMIYUAZBY-QGZVFWFLSA-N -1 0 375.428 3.275 50 0 GGAARM CCCCSCc1cc(C(=O)N2CCc3[nH]cnc3[C@H]2C(=O)[O-])oc1C ZINC000072407199 205345959 /nfs/dbraw/zinc/34/59/59/205345959.db2.gz XHYHGRVAQNVFHQ-INIZCTEOSA-N -1 0 377.466 3.169 50 0 GGAARM CCCCSCc1cc(C(=O)N2CCc3[nH]cnc3[C@@H]2C(=O)[O-])oc1C ZINC000072407198 205346042 /nfs/dbraw/zinc/34/60/42/205346042.db2.gz XHYHGRVAQNVFHQ-MRXNPFEDSA-N -1 0 377.466 3.169 50 0 GGAARM COc1ccc(-c2nccn2-c2ccc(-c3nncn3C)cc2)cc1C(=O)[O-] ZINC000077556157 205365545 /nfs/dbraw/zinc/36/55/45/205365545.db2.gz GPFLTAVGLQRSCO-UHFFFAOYSA-N -1 0 375.388 3.042 50 0 GGAARM CCOc1ccc(-c2ccnc(NCc3nc(C)cc(C)n3)n2)cc1C(=O)[O-] ZINC000077523175 205365718 /nfs/dbraw/zinc/36/57/18/205365718.db2.gz FHJVIIXDCUQGGU-UHFFFAOYSA-N -1 0 379.420 3.259 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)c2cc(-c3ccccc3)nn2C)sc1C(C)C ZINC000079478550 205382245 /nfs/dbraw/zinc/38/22/45/205382245.db2.gz CVXFNVITYNRPFU-UHFFFAOYSA-N -1 0 384.461 3.128 50 0 GGAARM CC(C)(O)CCc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC000091350846 205412441 /nfs/dbraw/zinc/41/24/41/205412441.db2.gz KRYFWYGAXOJKPV-VQTJNVASSA-N -1 0 381.472 3.331 50 0 GGAARM Cc1cc(C(=O)N2C[C@@H](c3ccncc3)[C@H](C(=O)[O-])C2)c2cccc(C)c2n1 ZINC000091487031 205416742 /nfs/dbraw/zinc/41/67/42/205416742.db2.gz PEQOPFVCAPKNHH-RBUKOAKNSA-N -1 0 375.428 3.187 50 0 GGAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)Cn3ccc(=O)c4ccccc43)C2)cc1 ZINC000095365348 205445821 /nfs/dbraw/zinc/44/58/21/205445821.db2.gz ATFDUNSDNMODQL-GOSISDBHSA-N -1 0 390.439 3.106 50 0 GGAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3cc(=O)[nH]c4ccccc43)C2)c1 ZINC000095375949 205448864 /nfs/dbraw/zinc/44/88/64/205448864.db2.gz DHMCENUVNIWKOG-MRXNPFEDSA-N -1 0 376.412 3.246 50 0 GGAARM CCCn1c2ccccc2c([O-])c(C(=O)Nc2nnc(CC(C)C)s2)c1=O ZINC000100512694 205608080 /nfs/dbraw/zinc/60/80/80/205608080.db2.gz PHSATVBGBKWKAI-UHFFFAOYSA-N -1 0 386.477 3.419 50 0 GGAARM Cc1nnc(NC(=O)c2c([O-])c3ccccc3n(Cc3ccccc3)c2=O)s1 ZINC000100630017 205609121 /nfs/dbraw/zinc/60/91/21/205609121.db2.gz IAPUOUJUFZFQHU-UHFFFAOYSA-N -1 0 392.440 3.168 50 0 GGAARM COc1ccc(OC)c(-n2cc(C(=O)[O-])c3c2[C@H](c2ccncc2)CC(=O)N3)c1 ZINC000049543285 205671989 /nfs/dbraw/zinc/67/19/89/205671989.db2.gz AMQCTKJRXOXRNY-AWEZNQCLSA-N -1 0 393.399 3.062 50 0 biogenic GGAARM CCC[C@@H](NC(=O)Cc1c(C)c2c3occ(C)c3c(C)cc2oc1=O)C(=O)[O-] ZINC000006624064 205779486 /nfs/dbraw/zinc/77/94/86/205779486.db2.gz NRXRPHOHVOUGIM-CQSZACIVSA-N -1 0 385.416 3.376 50 0 biogenic GGAARM CCCc1cc(=O)n2nc(NC(=O)C(c3ccccc3)c3ccccc3)[n-]c2n1 ZINC000100650766 205804736 /nfs/dbraw/zinc/80/47/36/205804736.db2.gz GBQZWBFVAIPIGE-UHFFFAOYSA-N -1 0 387.443 3.141 50 0 GGAARM CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCOCC3)c([O-])n2n1 ZINC000022854181 205964613 /nfs/dbraw/zinc/96/46/13/205964613.db2.gz SFEUKLVAHLFRHY-AWEZNQCLSA-N -1 0 378.885 3.134 50 0 GGAARM Cc1nn(-c2nnc(C)c(=O)[n-]2)c(C)c1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000027756629 206016438 /nfs/dbraw/zinc/01/64/38/206016438.db2.gz MJGUNRQPUOMMMV-UHFFFAOYSA-N -1 0 398.492 3.036 50 0 GGAARM CC(C)(C)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@H](C(=O)[O-])O2 ZINC000226087801 206089714 /nfs/dbraw/zinc/08/97/14/206089714.db2.gz BCPVEPDWXQDIFA-QGZVFWFLSA-N -1 0 375.446 3.025 50 0 GGAARM CCSc1nnc([N-]C(=O)c2coc(NC(=O)c3ccccc3)n2)s1 ZINC000062023004 206104842 /nfs/dbraw/zinc/10/48/42/206104842.db2.gz QTHXGGRWRWRZFI-UHFFFAOYSA-N -1 0 375.435 3.143 50 0 GGAARM COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1oc(C)cc(=O)c1O ZINC000096114938 206117533 /nfs/dbraw/zinc/11/75/33/206117533.db2.gz XMWCZBQHNCUYKM-AWEZNQCLSA-N -1 0 398.367 3.307 50 0 biogenic GGAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)OC)CC3)s1 ZINC000096096300 206117580 /nfs/dbraw/zinc/11/75/80/206117580.db2.gz YUPIAZWHNRUOBC-UHFFFAOYSA-N -1 0 380.491 3.236 50 0 GGAARM COC(=O)C[C@@H](c1ccc(-c2cccc(C(=O)[O-])c2)o1)c1oc(C)cc(=O)c1O ZINC000096113782 206117842 /nfs/dbraw/zinc/11/78/42/206117842.db2.gz WCFZTAMJWUTFFS-AWEZNQCLSA-N -1 0 398.367 3.307 50 0 biogenic GGAARM O=C([O-])[C@@H]1[C@@H]2CC(=O)C[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000238789990 206124955 /nfs/dbraw/zinc/12/49/55/206124955.db2.gz CJRUPEXNZOFRTP-DYHNYNMBSA-N -1 0 391.423 3.300 50 0 GGAARM CCOC(=O)c1csc(=NC(=O)COc2cccc3c2ccn3C(C)C)[n-]1 ZINC000252481386 206138202 /nfs/dbraw/zinc/13/82/02/206138202.db2.gz CKIQQFWLWHANPP-UHFFFAOYSA-N -1 0 387.461 3.295 50 0 GGAARM COc1ccccc1OC(C)(C)C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000299756041 206185016 /nfs/dbraw/zinc/18/50/16/206185016.db2.gz AQMLQVYEEIHTFM-JOCHJYFZSA-N -1 0 383.444 3.108 50 0 GGAARM O=C([O-])c1ccnc(-c2ccnc(NCc3ccc4c(c3)OCCCO4)n2)c1 ZINC000072440565 206208863 /nfs/dbraw/zinc/20/88/63/206208863.db2.gz YOWWJWHVNAMRFM-UHFFFAOYSA-N -1 0 378.388 3.010 50 0 GGAARM CCCOc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003765118 206213714 /nfs/dbraw/zinc/21/37/14/206213714.db2.gz WCECAJJYFLVTLP-SFHVURJKSA-N -1 0 377.462 3.278 50 0 GGAARM CC[C@H](C(=O)[O-])n1nc(Br)c(Br)c1Br ZINC000059949676 206213781 /nfs/dbraw/zinc/21/37/81/206213781.db2.gz KHLBJGXDOLMWJE-GSVOUGTGSA-N -1 0 390.857 3.206 50 0 GGAARM CC[C@@H](C(=O)[O-])n1nc(Br)c(Br)c1Br ZINC000059949672 206214113 /nfs/dbraw/zinc/21/41/13/206214113.db2.gz KHLBJGXDOLMWJE-VKHMYHEASA-N -1 0 390.857 3.206 50 0 GGAARM Cc1ccc(N2C(=O)[N-]C(=O)C(=C(Nc3ccccc3)NC(C)C)C2=O)c(C)c1 ZINC000004916192 206215097 /nfs/dbraw/zinc/21/50/97/206215097.db2.gz ZORULVXLLKUXRV-HNENSFHCSA-N -1 0 392.459 3.208 50 0 GGAARM CC(NNc1cccc2ccccc21)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000005025366 533418168 /nfs/dbraw/zinc/41/81/68/533418168.db2.gz IKCBISIWCHCQQJ-XMHGGMMESA-N -1 0 386.411 3.313 50 0 GGAARM COCC[C@@]1(C(=O)[O-])CCCN(c2cc(C(C)C)nc(C(F)(F)F)n2)C1 ZINC000071767886 136166524 /nfs/dbraw/zinc/16/65/24/136166524.db2.gz GJCLEAPIEBPPRZ-INIZCTEOSA-N -1 0 375.391 3.327 50 0 GGAARM COCC[C@]1(C(=O)[O-])CCCN(c2cc(C(C)C)nc(C(F)(F)F)n2)C1 ZINC000071767887 136166594 /nfs/dbraw/zinc/16/65/94/136166594.db2.gz GJCLEAPIEBPPRZ-MRXNPFEDSA-N -1 0 375.391 3.327 50 0 GGAARM Cc1cc(C)nc(N2CCC(Oc3ccc4ncccc4c3)(C(=O)[O-])CC2)n1 ZINC000077425431 136172034 /nfs/dbraw/zinc/17/20/34/136172034.db2.gz KPLOAJBIZHJSTN-UHFFFAOYSA-N -1 0 378.432 3.144 50 0 GGAARM O=C([O-])c1cccc(N2CCC3(CC(=O)N(C/C=C/c4ccccc4)C3)CC2)n1 ZINC000095362203 136178063 /nfs/dbraw/zinc/17/80/63/136178063.db2.gz WHEYDPGMVZAQAQ-VMPITWQZSA-N -1 0 391.471 3.312 50 0 GGAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3ccc(N4CCOCC4)cc3)C2)c1 ZINC000095386570 136178767 /nfs/dbraw/zinc/17/87/67/136178767.db2.gz OXOYMNSMLXCSSX-FQEVSTJZSA-N -1 0 394.471 3.241 50 0 GGAARM Cc1ccc(C(=O)[O-])c(N2CCC(c3nccn3Cc3cccnc3)CC2)n1 ZINC000095498634 136179766 /nfs/dbraw/zinc/17/97/66/136179766.db2.gz PJZJEGKKNGUWHS-UHFFFAOYSA-N -1 0 377.448 3.112 50 0 GGAARM Cc1ccc(C(=O)[O-])c(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)n1 ZINC000095509333 136180291 /nfs/dbraw/zinc/18/02/91/136180291.db2.gz BNYCBKXMOBTYAN-INIZCTEOSA-N -1 0 377.448 3.112 50 0 GGAARM O=C([O-])c1cnc(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)c(Cl)c1 ZINC000095513194 136180802 /nfs/dbraw/zinc/18/08/02/136180802.db2.gz BZHQSJRENLQQTG-OAHLLOKOSA-N -1 0 397.866 3.457 50 0 GGAARM O=C(C1CC1)N1CCCc2cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc21 ZINC000005099574 136194445 /nfs/dbraw/zinc/19/44/45/136194445.db2.gz PHVXONSFHKOEID-UHFFFAOYSA-N -1 0 392.427 3.455 50 0 GGAARM COc1ccc([N-]S(=O)(=O)c2ccc(C)s2)cc1N1CCCCC1=O ZINC000005330220 136194679 /nfs/dbraw/zinc/19/46/79/136194679.db2.gz FAKOFAFZKBAYJA-UHFFFAOYSA-N -1 0 380.491 3.383 50 0 GGAARM Cc1nc2sc([C@H](c3cccc(F)c3)N3C[C@@H](C)O[C@H](C)C3)c([O-])n2n1 ZINC000023157394 221586866 /nfs/dbraw/zinc/58/68/66/221586866.db2.gz IEVXCZBUXQZCHV-HFAKWTLXSA-N -1 0 376.457 3.143 50 0 GGAARM C[C@H](Nc1nccc(-c2cc(C(=O)[O-])ccn2)n1)c1nncn1C1CCCC1 ZINC000072476434 222265599 /nfs/dbraw/zinc/26/55/99/222265599.db2.gz HKSZFBWDEFZXDH-LBPRGKRZSA-N -1 0 379.424 3.117 50 0 GGAARM O=C([O-])Cn1ccc([C@@H]2CCCN(C(=O)c3ccc4cccc(Cl)c4n3)C2)n1 ZINC000426550334 534508966 /nfs/dbraw/zinc/50/89/66/534508966.db2.gz ANOKXWSJBYJXBE-CQSZACIVSA-N -1 0 398.850 3.189 50 0 GGAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccncc2)cc1 ZINC000004757064 525614953 /nfs/dbraw/zinc/61/49/53/525614953.db2.gz AIRLGFJSNFFCNA-UHFFFAOYSA-N -1 0 381.457 3.121 50 0 GGAARM COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc21 ZINC000021756748 536765555 /nfs/dbraw/zinc/76/55/55/536765555.db2.gz SYZSCCKWKPQZRN-UHFFFAOYSA-N -1 0 394.880 3.066 50 0 GGAARM COc1cc(=O)c2c([O-])cc(-c3cc(OC)c(OC)c(OC)c3OC)oc-2c1 ZINC000002561257 560187927 /nfs/dbraw/zinc/18/79/27/560187927.db2.gz UQKOTVMFJYMJEP-UHFFFAOYSA-N -1 0 388.372 3.209 50 0 biogenic,in-vitro GGAARM CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)o1 ZINC000000804352 564180028 /nfs/dbraw/zinc/18/00/28/564180028.db2.gz IUOGNWLTPWLOKJ-UHFFFAOYSA-N -1 0 377.447 3.352 50 0 GGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)NC1CCCCC1 ZINC000000814483 564181451 /nfs/dbraw/zinc/18/14/51/564181451.db2.gz MDPZTYNUWFEWAM-UHFFFAOYSA-N -1 0 380.495 3.398 50 0 GGAARM O=C([O-])c1ccccc1NC1=C(Cl)C(=O)N(c2cccc(Cl)c2)C1=O ZINC000000946356 564181689 /nfs/dbraw/zinc/18/16/89/564181689.db2.gz ICYMSCKUMJAECL-UHFFFAOYSA-N -1 0 377.183 3.474 50 0 GGAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(-c2cn3c(n2)SCC3)cc1 ZINC000001032940 564182070 /nfs/dbraw/zinc/18/20/70/564182070.db2.gz JTADUBMGMMLWHV-UHFFFAOYSA-N -1 0 376.463 3.061 50 0 GGAARM CC(=O)[N-]S(=O)(=O)c1cccnc1Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000000987847 564182655 /nfs/dbraw/zinc/18/26/55/564182655.db2.gz OVXQPMKVGPFVBW-UHFFFAOYSA-N -1 0 393.774 3.322 50 0 GGAARM COc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)c(OC)c1 ZINC000001139699 564183253 /nfs/dbraw/zinc/18/32/53/564183253.db2.gz MRAMCQZDDWPNPC-UHFFFAOYSA-N -1 0 378.269 3.329 50 0 GGAARM COc1ccc(C(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)cc1Cl ZINC000001159418 564183528 /nfs/dbraw/zinc/18/35/28/564183528.db2.gz YVIATMIATBVESZ-UHFFFAOYSA-N -1 0 378.837 3.482 50 0 GGAARM O=C1NC(=O)C(=Cc2cc(Br)c([O-])c(Br)c2)S1 ZINC000001083085 564183809 /nfs/dbraw/zinc/18/38/09/564183809.db2.gz MFIRMNDQUFKHHE-XVNBXDOJSA-N -1 0 379.029 3.241 50 0 GGAARM O=C([O-])c1ccc(-n2nnnc2SCc2cccc(Br)c2)cc1 ZINC000001154019 564183830 /nfs/dbraw/zinc/18/38/30/564183830.db2.gz GQWWMGCEDLDJEG-UHFFFAOYSA-N -1 0 391.250 3.415 50 0 GGAARM O=C([O-])C[C@@H](Cc1ccc(Br)cc1)C(=O)NCc1ccccc1 ZINC000001093992 564183839 /nfs/dbraw/zinc/18/38/39/564183839.db2.gz XCYPZOHZOZHGBS-OAHLLOKOSA-N -1 0 376.250 3.399 50 0 GGAARM CO[C@](F)(C(=O)Nc1ccc(C)c(Br)c1C(=O)[O-])C(F)(F)F ZINC000002192072 564186282 /nfs/dbraw/zinc/18/62/82/564186282.db2.gz SYEXGYIUACTDDW-LLVKDONJSA-N -1 0 388.111 3.269 50 0 GGAARM O=C([O-])C[C@@]12CSc3[nH]c(=O)sc3[C@@H]1c1cc(Cl)ccc1OC2=O ZINC000002493322 564187547 /nfs/dbraw/zinc/18/75/47/564187547.db2.gz CMSUIVMSFVOWNX-ZUZCIYMTSA-N -1 0 383.834 3.120 50 0 GGAARM O=S(=O)([N-]c1ncn(Cc2ccc(Cl)cc2)n1)c1ccc(Cl)cc1 ZINC000002776601 564190310 /nfs/dbraw/zinc/19/03/10/564190310.db2.gz SNHWXIASPIWBAY-UHFFFAOYSA-N -1 0 383.260 3.434 50 0 GGAARM C[C@@H](Cn1cc(Br)cn1)C(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000002794735 564190399 /nfs/dbraw/zinc/19/03/99/564190399.db2.gz MIUMRDKIJYXPMR-QMMMGPOBSA-N -1 0 386.633 3.272 50 0 GGAARM Cc1nn(C[C@@H](C)C(=O)Nc2cccc(C(=O)[O-])c2)c(C)c1Br ZINC000002795560 564190753 /nfs/dbraw/zinc/19/07/53/564190753.db2.gz OVDUIENPMKAQAY-SECBINFHSA-N -1 0 380.242 3.235 50 0 GGAARM CCn1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3cccs3)cc2)n1 ZINC000002794289 564190815 /nfs/dbraw/zinc/19/08/15/564190815.db2.gz QRDANAINRSTRHI-UHFFFAOYSA-N -1 0 376.463 3.018 50 0 GGAARM CCOc1ccccc1N(CC(=O)[O-])S(=O)(=O)c1ccc(SC)cc1 ZINC000002871344 564191759 /nfs/dbraw/zinc/19/17/59/564191759.db2.gz OAFNNUGBBVTAHB-UHFFFAOYSA-N -1 0 381.475 3.087 50 0 GGAARM O=C([O-])CSCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000003219749 564194090 /nfs/dbraw/zinc/19/40/90/564194090.db2.gz PPBHWYGIZSHAFC-UHFFFAOYSA-N -1 0 387.280 3.329 50 0 GGAARM O=C([O-])C1CCN(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000003277453 564194270 /nfs/dbraw/zinc/19/42/70/564194270.db2.gz LXFSHIWOBZKOAF-UHFFFAOYSA-N -1 0 382.791 3.169 50 0 GGAARM O=C([O-])[C@H]1Cc2ccccc2CN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000003296682 564195365 /nfs/dbraw/zinc/19/53/65/564195365.db2.gz KOMUHJORPRFIMB-CQSZACIVSA-N -1 0 386.256 3.194 50 0 GGAARM O=C([O-])c1cc(I)ccc1NC(=O)c1ccc(F)cc1 ZINC000004179386 564201291 /nfs/dbraw/zinc/20/12/91/564201291.db2.gz VOOWVQWZFSTGPK-UHFFFAOYSA-N -1 0 385.132 3.381 50 0 GGAARM CCOC([O-])=NC(=O)c1ccsc1NC(=O)c1nc2ccccc2s1 ZINC000004275787 564202302 /nfs/dbraw/zinc/20/23/02/564202302.db2.gz ISNBJLXHBBZKSL-UHFFFAOYSA-N -1 0 375.431 3.496 50 0 in-vitro GGAARM CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(OC)c2)s1 ZINC000005329392 564215509 /nfs/dbraw/zinc/21/55/09/564215509.db2.gz JOLBMBIRFZBFEP-UHFFFAOYSA-N -1 0 380.491 3.247 50 0 GGAARM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000005976309 564220409 /nfs/dbraw/zinc/22/04/09/564220409.db2.gz VKXCMCLCXFFDPD-UHFFFAOYSA-N -1 0 375.269 3.270 50 0 GGAARM O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)Nc1ccc(F)cc1 ZINC000009761968 564254255 /nfs/dbraw/zinc/25/42/55/564254255.db2.gz FLPJANZGDXSUHB-UHFFFAOYSA-N -1 0 399.856 3.321 50 0 GGAARM C[C@H](NC(=O)c1csc([N-]S(=O)(=O)c2cccs2)n1)c1ccccc1 ZINC000011693221 564264942 /nfs/dbraw/zinc/26/49/42/564264942.db2.gz UTWUULRKTUUBNY-NSHDSACASA-N -1 0 393.515 3.496 50 0 GGAARM COc1ccc(C(=O)CSC2=Nc3ccc(Cl)cc3S(=O)(=O)[N-]2)cc1 ZINC000012361155 564267127 /nfs/dbraw/zinc/26/71/27/564267127.db2.gz DUNHCWNBHPJESB-UHFFFAOYSA-N -1 0 396.877 3.435 50 0 GGAARM O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)NCc1cccs1 ZINC000013850311 564278372 /nfs/dbraw/zinc/27/83/72/564278372.db2.gz TYIVUWJVRZBRQK-UHFFFAOYSA-N -1 0 392.527 3.469 50 0 GGAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000014257134 564281005 /nfs/dbraw/zinc/28/10/05/564281005.db2.gz QVQLCSKUOQBVAF-UHFFFAOYSA-N -1 0 390.280 3.488 50 0 GGAARM CCN1C(=O)Cc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3OC)ccc21 ZINC000017288964 564298467 /nfs/dbraw/zinc/29/84/67/564298467.db2.gz GNLBSSBFYLOXAW-UHFFFAOYSA-N -1 0 380.853 3.058 50 0 GGAARM O=C([O-])c1cc(-c2cccc(OC(F)F)c2)nc2c(Br)cnn21 ZINC000020605856 564306303 /nfs/dbraw/zinc/30/63/03/564306303.db2.gz DSHQDMUWGJSHKN-UHFFFAOYSA-N -1 0 384.136 3.458 50 0 GGAARM CSCC[C@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC000020745220 564307331 /nfs/dbraw/zinc/30/73/31/564307331.db2.gz WWCPXYQNERBSHP-ZDUSSCGKSA-N -1 0 384.910 3.329 50 0 GGAARM CSCC[C@H](NC(=O)CCn1ccc2cc(Br)ccc21)C(=O)[O-] ZINC000020762402 564307408 /nfs/dbraw/zinc/30/74/08/564307408.db2.gz LNEMUKHWDPQUFU-ZDUSSCGKSA-N -1 0 399.310 3.116 50 0 biogenic GGAARM CC(C)[C@H](NC(=O)Cc1csc(-c2cccc(Br)c2)n1)C(=O)[O-] ZINC000020745604 564307749 /nfs/dbraw/zinc/30/77/49/564307749.db2.gz XOPWFFWQSQUSLL-AWEZNQCLSA-N -1 0 397.294 3.341 50 0 GGAARM C[C@H](Oc1c(I)cc(Cl)c2cccnc21)C(=O)[O-] ZINC000022148026 564314325 /nfs/dbraw/zinc/31/43/25/564314325.db2.gz CCUYMIQZDLRWTQ-LURJTMIESA-N -1 0 377.565 3.345 50 0 GGAARM Cc1nc2sc([C@H](c3ccccc3Cl)N3CCC(O)CC3)c([O-])n2n1 ZINC000022627648 564318589 /nfs/dbraw/zinc/31/85/89/564318589.db2.gz VWACPIUTAGLZKK-AWEZNQCLSA-N -1 0 378.885 3.004 50 0 GGAARM CCc1nc2sc([C@@H](c3ccccc3Cl)N3CCOCC3)c([O-])n2n1 ZINC000022854178 564320190 /nfs/dbraw/zinc/32/01/90/564320190.db2.gz PJVPVFBVMWPTGD-CQSZACIVSA-N -1 0 378.885 3.134 50 0 GGAARM O=C([O-])CN(CC(=O)NCCc1ccc(Cl)cc1Cl)c1ccccc1 ZINC000034926526 564414942 /nfs/dbraw/zinc/41/49/42/564414942.db2.gz MGUZBNSRKZLXFA-UHFFFAOYSA-N -1 0 381.259 3.243 50 0 GGAARM O=C([O-])c1ccc(CNC(=O)Cn2ccc3c2cccc3Br)cc1 ZINC000040267366 564426826 /nfs/dbraw/zinc/42/68/26/564426826.db2.gz ACPICQBMXQKDBN-UHFFFAOYSA-N -1 0 387.233 3.418 50 0 GGAARM CSc1ccc([C@H](C(=O)[O-])N2CCN(Cc3csc(C)n3)CC2)cc1 ZINC000095388718 564899321 /nfs/dbraw/zinc/89/93/21/564899321.db2.gz VGPUOIVPOOWNQI-QGZVFWFLSA-N -1 0 377.535 3.117 50 0 GGAARM COc1ccccc1NC(=S)C1=C([O-])c2sccc2N(C)S1(=O)=O ZINC000100911017 564914952 /nfs/dbraw/zinc/91/49/52/564914952.db2.gz KSAVIAILLVKGPN-UHFFFAOYSA-N -1 0 382.488 3.202 50 0 GGAARM O=c1c2[n-][nH]n(Cc3ccccc3Cl)c=2c(=O)n1-c1ccc(Cl)cc1 ZINC000101271881 564915539 /nfs/dbraw/zinc/91/55/39/564915539.db2.gz ZBCKAZLUKVNXJG-LSDHHAIUSA-N -1 0 375.215 3.487 50 0 GGAARM CCOC(=O)C[C@@H]1CC(=O)C2=C([O-])c3c(c(Br)ccc3OC)[C@@H]2C1 ZINC000101580608 564918488 /nfs/dbraw/zinc/91/84/88/564918488.db2.gz VPGVJCKTBSSIHD-XQJJYNOISA-N -1 0 395.249 3.286 50 0 GGAARM [O-]C(c1cccs1)=C1[C@H](c2cccs2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000102140590 564925919 /nfs/dbraw/zinc/92/59/19/564925919.db2.gz XMMPUZPGAPNETH-OUJBWJOFSA-N -1 0 392.449 3.078 50 0 GGAARM Cc1ccccc1-n1c(=O)[nH]c([O-])c(Cc2c(Cl)cccc2Cl)c1=O ZINC000102401230 564929432 /nfs/dbraw/zinc/92/94/32/564929432.db2.gz TXRKLXKYFJXYNH-UHFFFAOYSA-N -1 0 377.227 3.437 50 0 GGAARM [O-]c1c(I)cc(Cl)c(F)c1I ZINC000306825743 565576528 /nfs/dbraw/zinc/57/65/28/565576528.db2.gz YMGXVCKQWUFUDF-UHFFFAOYSA-N -1 0 398.340 3.394 50 0 GGAARM O=S(=O)([N-]C[C@@H](O)c1ccc(-c2ccsc2)o1)c1c(F)cccc1F ZINC000575610119 566276134 /nfs/dbraw/zinc/27/61/34/566276134.db2.gz KMUQQKAUQMLPKW-CYBMUJFWSA-N -1 0 385.413 3.298 50 0 GGAARM Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c1 ZINC000000652125 570214301 /nfs/dbraw/zinc/21/43/01/570214301.db2.gz JGJMYNZUNBIRBW-UHFFFAOYSA-N -1 0 396.472 3.455 50 0 GGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)n1 ZINC000000671468 570215738 /nfs/dbraw/zinc/21/57/38/570215738.db2.gz SIZHFWNZQVRVIV-UHFFFAOYSA-N -1 0 396.472 3.075 50 0 GGAARM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1 ZINC000000682283 570217090 /nfs/dbraw/zinc/21/70/90/570217090.db2.gz NEPJGFBXVQMFGX-UHFFFAOYSA-N -1 0 396.472 3.455 50 0 GGAARM O=C([O-])c1ccccc1NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 ZINC000000716510 570219983 /nfs/dbraw/zinc/21/99/83/570219983.db2.gz MXHXGKJFHXHICT-UHFFFAOYSA-N -1 0 386.363 3.438 50 0 GGAARM O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(c2ccccc2OC(F)F)C1=O ZINC000000780827 570222776 /nfs/dbraw/zinc/22/27/76/570222776.db2.gz DBBWWWXXEJDEBS-CQSZACIVSA-N -1 0 393.367 3.410 50 0 GGAARM O=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000000790795 570223528 /nfs/dbraw/zinc/22/35/28/570223528.db2.gz KSUZNVGQFGQCNE-UHFFFAOYSA-N -1 0 381.457 3.454 50 0 GGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cc2ccccc2o1 ZINC000000800967 570224001 /nfs/dbraw/zinc/22/40/01/570224001.db2.gz YDVMBXCWUZIXHK-UHFFFAOYSA-N -1 0 394.412 3.276 50 0 GGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)no1 ZINC000000908338 570229446 /nfs/dbraw/zinc/22/94/46/570229446.db2.gz UEUODPFZCNWLHR-UHFFFAOYSA-N -1 0 385.445 3.355 50 0 GGAARM CC[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccccc1 ZINC000000917470 570229858 /nfs/dbraw/zinc/22/98/58/570229858.db2.gz SPAVQOZORXRNAP-SFHVURJKSA-N -1 0 396.472 3.410 50 0 GGAARM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1 ZINC000000917340 570229916 /nfs/dbraw/zinc/22/99/16/570229916.db2.gz KPWMGZMMRJFVEC-UHFFFAOYSA-N -1 0 389.458 3.205 50 0 GGAARM O=C1O[C@@H](Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c2ccccc21 ZINC000000987019 570233300 /nfs/dbraw/zinc/23/33/00/570233300.db2.gz TYARHTVRLDOZJF-GOSISDBHSA-N -1 0 381.413 3.164 50 0 GGAARM COc1ccc(NC(=O)c2cccc(NC(=O)CCCC(=O)[O-])c2)c(OC)c1 ZINC000000991827 570233622 /nfs/dbraw/zinc/23/36/22/570233622.db2.gz IXPHIUQELSUDNK-UHFFFAOYSA-N -1 0 386.404 3.150 50 0 GGAARM COc1cccc(N2C(=O)c3ccc(C(=O)Nc4ccccc4O)cc3C2=O)c1 ZINC000001023809 570235530 /nfs/dbraw/zinc/23/55/30/570235530.db2.gz JNUCQLRMRGGZKU-UHFFFAOYSA-N -1 0 388.379 3.454 50 0 GGAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 ZINC000001019559 570235565 /nfs/dbraw/zinc/23/55/65/570235565.db2.gz KWJZSNHRUQYPRV-QZTJIDSGSA-N -1 0 392.455 3.265 50 0 GGAARM CC(C)(CC(=O)[O-])CC(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000001029171 570235742 /nfs/dbraw/zinc/23/57/42/570235742.db2.gz MVWLQVMRKAHCPR-UHFFFAOYSA-N -1 0 395.912 3.489 50 0 GGAARM CCN(CC)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2OC)cc1 ZINC000001050069 570238643 /nfs/dbraw/zinc/23/86/43/570238643.db2.gz GNIPVCARHCMYIL-UHFFFAOYSA-N -1 0 378.450 3.040 50 0 GGAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 ZINC000001112005 570242704 /nfs/dbraw/zinc/24/27/04/570242704.db2.gz RCIFGQZXULCSKC-AWNIVKPZSA-N -1 0 386.473 3.287 50 0 GGAARM C[C@H](c1ccncn1)N(C)Cc1cc(-c2cccnc2)ccc1OCC(=O)[O-] ZINC000097619141 570247729 /nfs/dbraw/zinc/24/77/29/570247729.db2.gz SQEWQROUONUGLB-OAHLLOKOSA-N -1 0 378.432 3.195 50 0 GGAARM COc1cccc(-c2nc3ccccc3c(NCCCN3CCOCC3)n2)c1[O-] ZINC000020289759 570251387 /nfs/dbraw/zinc/25/13/87/570251387.db2.gz JNFATFIDMBIPEX-UHFFFAOYSA-N -1 0 394.475 3.145 50 0 GGAARM CCC(NCc1ccc(F)cc1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000020290565 570251972 /nfs/dbraw/zinc/25/19/72/570251972.db2.gz OONBRPITKAVYGE-ISLYRVAYSA-N -1 0 381.407 3.171 50 0 GGAARM Cc1ccc(-n2c(=O)c(C)c([O-])nc2SCC(=O)NC2CCCCC2)cc1 ZINC000001174838 570254047 /nfs/dbraw/zinc/25/40/47/570254047.db2.gz FKCPLEDRAFLLDB-UHFFFAOYSA-N -1 0 387.505 3.096 50 0 GGAARM Cc1cc2ncc(C(=O)N3CCC[C@@H](CCc4ccccc4C)C3)c(=O)n2[n-]1 ZINC000102313443 570256631 /nfs/dbraw/zinc/25/66/31/570256631.db2.gz TZCOOMPNBXFYNH-KRWDZBQOSA-N -1 0 378.476 3.124 50 0 GGAARM Cc1cc2ncc(C(=O)N3CCC[C@H](CCc4ccccc4C)C3)c(=O)n2[n-]1 ZINC000102313448 570256662 /nfs/dbraw/zinc/25/66/62/570256662.db2.gz TZCOOMPNBXFYNH-QGZVFWFLSA-N -1 0 378.476 3.124 50 0 GGAARM Cc1ccc(C(O)=C2[C@@H](c3ccc(F)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000001464485 570263932 /nfs/dbraw/zinc/26/39/32/570263932.db2.gz XTEXKLOHKUNMQQ-DAYGRLMNSA-N -1 0 396.340 3.238 50 0 GGAARM CCc1oc2cc(OCC(=O)[O-])ccc2c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000001507708 570264201 /nfs/dbraw/zinc/26/42/01/570264201.db2.gz COGIGXHIZUGQKN-UHFFFAOYSA-N -1 0 382.368 3.257 50 0 biogenic GGAARM COc1ccc(-c2cc(=O)n3nc(SCc4ccccc4)[n-]c3n2)cc1OC ZINC000100133417 570266955 /nfs/dbraw/zinc/26/69/55/570266955.db2.gz IKAMBTINPGSUIC-UHFFFAOYSA-N -1 0 394.456 3.394 50 0 GGAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccc(O)cc2)CC(=O)N3)c1 ZINC000049543433 570268467 /nfs/dbraw/zinc/26/84/67/570268467.db2.gz GNHYWXZGYLHBTP-MRXNPFEDSA-N -1 0 378.384 3.364 50 0 biogenic GGAARM COc1ccc(OC)c(-n2cc(C(=O)[O-])c3c2[C@@H](c2ccncc2)CC(=O)N3)c1 ZINC000049543287 570268482 /nfs/dbraw/zinc/26/84/82/570268482.db2.gz AMQCTKJRXOXRNY-CQSZACIVSA-N -1 0 393.399 3.062 50 0 biogenic GGAARM CCN1c2ccc(S(=O)(=O)Nc3ccccc3C(=O)[O-])c3cccc(c23)C1=O ZINC000001926193 570270212 /nfs/dbraw/zinc/27/02/12/570270212.db2.gz CNBCPSZIPVQUHA-UHFFFAOYSA-N -1 0 396.424 3.319 50 0 GGAARM CCOC(=O)c1ccccc1NC(=O)c1c([O-])c2ccccc2n(CC)c1=O ZINC000100543165 570273052 /nfs/dbraw/zinc/27/30/52/570273052.db2.gz IJIPALZRNBNNGE-UHFFFAOYSA-N -1 0 380.400 3.156 50 0 GGAARM Cc1c(C)c2ccc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2oc1=O ZINC000002094338 570274554 /nfs/dbraw/zinc/27/45/54/570274554.db2.gz YMWHXDPWLXIIJF-KUHUBIRLSA-N -1 0 395.411 3.119 50 0 biogenic GGAARM COc1ccc(-c2n[n-]c(=S)n2-c2ccc(Cn3cncn3)cc2)cc1OC ZINC000020719601 570276086 /nfs/dbraw/zinc/27/60/86/570276086.db2.gz XULWOPZPDXMGHA-UHFFFAOYSA-N -1 0 394.460 3.254 50 0 GGAARM COc1ccc(-c2nc(CC(=O)NCc3cccc(C(=O)[O-])c3)cs2)cc1 ZINC000020739201 570278517 /nfs/dbraw/zinc/27/85/17/570278517.db2.gz OYBYITQNGVAFIY-UHFFFAOYSA-N -1 0 382.441 3.376 50 0 GGAARM CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)CC1 ZINC000002386685 570285425 /nfs/dbraw/zinc/28/54/25/570285425.db2.gz NQRDPCITYZSTPP-CQSZACIVSA-N -1 0 388.386 3.384 50 0 GGAARM COCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000002422048 570286597 /nfs/dbraw/zinc/28/65/97/570286597.db2.gz HTWMUNYCDCOPRL-UHFFFAOYSA-N -1 0 386.477 3.187 50 0 GGAARM COC(=O)c1c(-c2ccco2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000002486650 570288212 /nfs/dbraw/zinc/28/82/12/570288212.db2.gz YAWARYLQJLDONP-QWRGUYRKSA-N -1 0 375.402 3.400 50 0 GGAARM CCCOC(=O)c1c(C)c(C(=O)OC)sc1NC(=O)c1c(C)noc1C ZINC000002486502 570288305 /nfs/dbraw/zinc/28/83/05/570288305.db2.gz OSNFAIRJMJZZHJ-UHFFFAOYSA-N -1 0 380.422 3.267 50 0 GGAARM CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H](O)C(=O)[O-] ZINC000002541677 570290355 /nfs/dbraw/zinc/29/03/55/570290355.db2.gz HZHTWMSZVZTEEL-PMACEKPBSA-N -1 0 383.444 3.385 50 0 GGAARM COc1cccc(-c2cc(C(F)(F)F)nc(N3CCC[C@@H](C(=O)[O-])C3)n2)c1 ZINC000002554458 570290592 /nfs/dbraw/zinc/29/05/92/570290592.db2.gz PNUXAUKXEVPEBB-GFCCVEGCSA-N -1 0 381.354 3.472 50 0 GGAARM COc1ccc(CSC[C@H](NC(=O)OCc2ccccc2)C(=O)[O-])cc1 ZINC000002555061 570290654 /nfs/dbraw/zinc/29/06/54/570290654.db2.gz ITIVJYICKMMKHE-KRWDZBQOSA-N -1 0 375.446 3.308 50 0 GGAARM CCOc1ccc2[nH]c(SCC(=O)Nc3ccc(O)c(C(=O)[O-])c3)nc2c1 ZINC000002787163 570302222 /nfs/dbraw/zinc/30/22/22/570302222.db2.gz UAOBQVCONBLZLW-UHFFFAOYSA-N -1 0 387.417 3.096 50 0 GGAARM COc1cc2nc(=S)n3nc(COc4ccccc4C)[nH]c3c2cc1OC ZINC000015974141 570303967 /nfs/dbraw/zinc/30/39/67/570303967.db2.gz ZHAVTFWWWPKUJB-UHFFFAOYSA-N -1 0 382.445 3.471 50 0 GGAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)cc1 ZINC000002868464 570313232 /nfs/dbraw/zinc/31/32/32/570313232.db2.gz JGBAKZWHWXDPLR-UHFFFAOYSA-N -1 0 396.424 3.438 50 0 GGAARM CC[C@@H](C)C1C(=O)N=C(SCC(=O)Nc2nc3ccccc3s2)N=C1[O-] ZINC000002885686 570316540 /nfs/dbraw/zinc/31/65/40/570316540.db2.gz RRRLHEAWNCHEAJ-SECBINFHSA-N -1 0 390.490 3.330 50 0 GGAARM COc1ccc(N2C(=O)CC[C@H](C(=O)[O-])[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000002944902 570319055 /nfs/dbraw/zinc/31/90/55/570319055.db2.gz HBZSNPJHTRNXPY-JXFKEZNVSA-N -1 0 385.416 3.281 50 0 GGAARM CC(C)C[C@@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000002983246 570322814 /nfs/dbraw/zinc/32/28/14/570322814.db2.gz GPTKNCYGSSZLCN-GDLUXTLDSA-N -1 0 380.444 3.073 50 0 GGAARM O=C([O-])[C@@H](NC(=O)CCc1nc(-c2cccc3[nH]ccc32)no1)c1ccccc1 ZINC000218271999 570329401 /nfs/dbraw/zinc/32/94/01/570329401.db2.gz CUHMLLWMAHMVCE-IBGZPJMESA-N -1 0 390.399 3.093 50 0 GGAARM Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c1 ZINC000000790906 570331941 /nfs/dbraw/zinc/33/19/41/570331941.db2.gz ULKLWKLHUOFXJY-UHFFFAOYSA-N -1 0 397.456 3.208 50 0 GGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000000792439 570335587 /nfs/dbraw/zinc/33/55/87/570335587.db2.gz OKIMKEJVKDLWRX-UHFFFAOYSA-N -1 0 383.429 3.143 50 0 GGAARM CCc1ccc(NC(=O)CSC2=Nc3ccc(F)cc3S(=O)(=O)[N-]2)cc1 ZINC000004853625 570348411 /nfs/dbraw/zinc/34/84/11/570348411.db2.gz RTDLZBJTUHVFLI-UHFFFAOYSA-N -1 0 393.465 3.230 50 0 GGAARM COc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(C(F)(F)F)cc4)c=3c2=O)cc1 ZINC000004871557 570352381 /nfs/dbraw/zinc/35/23/81/570352381.db2.gz DWCPIBPKWKHYPQ-HUUCEWRRSA-N -1 0 390.321 3.212 50 0 GGAARM COC(=O)C[C@@H](c1ccccc1)c1c(=O)nc2ccc(C(F)(F)F)cn2c1[O-] ZINC000205979311 570357378 /nfs/dbraw/zinc/35/73/78/570357378.db2.gz LKGATXAEYPJKLE-ZDUSSCGKSA-N -1 0 392.333 3.114 50 0 GGAARM O=C([O-])c1ccccc1NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 ZINC000000811308 570363763 /nfs/dbraw/zinc/36/37/63/570363763.db2.gz YSHMRNNBGVEIQB-QGOAFFKASA-N -1 0 376.368 3.387 50 0 GGAARM O=C1CCc2cc(S(=O)(=O)[N-]c3ccccc3C(F)(F)F)cc3c2N1CC3 ZINC000005153581 570429336 /nfs/dbraw/zinc/42/93/36/570429336.db2.gz MBRWEHFHMNJMGT-UHFFFAOYSA-N -1 0 396.390 3.342 50 0 GGAARM O=C([O-])c1ccc(-c2ccc(/C=c3/sc4nc5ccccc5n4c3=O)o2)cc1 ZINC000027332763 570433025 /nfs/dbraw/zinc/43/30/25/570433025.db2.gz PBRCPUKRPJYRTF-WOJGMQOQSA-N -1 0 388.404 3.415 50 0 GGAARM O=C([O-])C[C@H]1Sc2nc3c(n2[C@]1(O)c1ccccc1)-c1ccccc1OC3 ZINC000005294936 570433310 /nfs/dbraw/zinc/43/33/10/570433310.db2.gz STBJPPOOUWMWFL-UZLBHIALSA-N -1 0 380.425 3.085 50 0 GGAARM CCOC(=O)[C@]1(C)CC(=Nc2ccccc2C(=O)[O-])C(=O)N1c1ccccc1 ZINC000001823490 570436411 /nfs/dbraw/zinc/43/64/11/570436411.db2.gz SKJHLTIMOZUVFU-NRFANRHFSA-N -1 0 380.400 3.049 50 0 GGAARM Cc1oc2cc(OCC(=O)[O-])ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 ZINC000004025858 570454116 /nfs/dbraw/zinc/45/41/16/570454116.db2.gz PZJGVPHFTYFPGW-UHFFFAOYSA-N -1 0 382.368 3.393 50 0 biogenic GGAARM CCC(NCc1ccc(F)cc1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000006294058 570472691 /nfs/dbraw/zinc/47/26/91/570472691.db2.gz SFEGRXCYAZYJQE-VLGSPTGOSA-N -1 0 381.407 3.171 50 0 GGAARM CCc1nc2sc([C@H](c3ccccc3F)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000016690148 570494625 /nfs/dbraw/zinc/49/46/25/570494625.db2.gz DUUHXLWTQODZGC-OZVIIMIRSA-N -1 0 390.484 3.397 50 0 GGAARM CCc1nc2sc([C@H](c3ccccc3F)N3C[C@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000016690149 570494654 /nfs/dbraw/zinc/49/46/54/570494654.db2.gz DUUHXLWTQODZGC-MKBNYLNASA-N -1 0 390.484 3.397 50 0 GGAARM CCc1nc2sc([C@H](c3ccc(F)cc3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000016690154 570494838 /nfs/dbraw/zinc/49/48/38/570494838.db2.gz CLGVVCAPRHWFPN-OZVIIMIRSA-N -1 0 390.484 3.397 50 0 GGAARM CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccccc3)cc(=O)[nH]2)c1 ZINC000005021681 570498701 /nfs/dbraw/zinc/49/87/01/570498701.db2.gz GNSXNYVEPTZXMM-UHFFFAOYSA-N -1 0 379.441 3.370 50 0 GGAARM CCn1ccc(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CCCCCC4)n1 ZINC000002781356 570514101 /nfs/dbraw/zinc/51/41/01/570514101.db2.gz RVIJBIKFCCWTKP-UHFFFAOYSA-N -1 0 385.493 3.026 50 0 GGAARM CCOc1ccc(OCc2ccc(C(=O)[N-]n3c(C)cc(C)cc3=O)o2)cc1 ZINC000002790940 570514232 /nfs/dbraw/zinc/51/42/32/570514232.db2.gz TYRFZTPTXKDGOH-UHFFFAOYSA-N -1 0 382.416 3.420 50 0 GGAARM CCn1ncc(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CCCCCC4)c1C ZINC000002780486 570516070 /nfs/dbraw/zinc/51/60/70/570516070.db2.gz DURKITHKHJTTBZ-UHFFFAOYSA-N -1 0 399.520 3.334 50 0 GGAARM Cc1nn(C(F)F)c(C)c1S(=O)(=O)[N-]c1ccn(Cc2ccccc2C)n1 ZINC000002804573 570517318 /nfs/dbraw/zinc/51/73/18/570517318.db2.gz WLSFPXQPINOOMW-UHFFFAOYSA-N -1 0 395.435 3.249 50 0 GGAARM CC(C)CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000000860683 570533676 /nfs/dbraw/zinc/53/36/76/570533676.db2.gz AGYMWSZTWBROGU-UHFFFAOYSA-N -1 0 394.880 3.443 50 0 GGAARM COc1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1N1CCCC1=O ZINC000005329720 570554750 /nfs/dbraw/zinc/55/47/50/570554750.db2.gz KKHSKUGKKFTFNW-UHFFFAOYSA-N -1 0 378.425 3.070 50 0 GGAARM COc1ccc(S(=O)(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1F ZINC000005329550 570554854 /nfs/dbraw/zinc/55/48/54/570554854.db2.gz HPRQIPRIPPAJRW-UHFFFAOYSA-N -1 0 378.425 3.070 50 0 GGAARM [O-]c1c([C@@H](c2ccccc2)N2CCC(O)CC2)sc2nc(-c3ccco3)nn12 ZINC000022851828 570556368 /nfs/dbraw/zinc/55/63/68/570556368.db2.gz ADYLPRJCCCZAJJ-MRXNPFEDSA-N -1 0 396.472 3.303 50 0 GGAARM CCc1nc2sc([C@@H](c3cccc(F)c3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000022854350 570556822 /nfs/dbraw/zinc/55/68/22/570556822.db2.gz XBNWGJNHMHCLNG-BFQNTYOBSA-N -1 0 390.484 3.397 50 0 GGAARM CC(C)Cc1ccc(S(=O)(=O)[N-]NC(=S)N[C@H](C)c2ccccc2)cc1 ZINC000006827383 570625553 /nfs/dbraw/zinc/62/55/53/570625553.db2.gz WDBNTVPPALEAFI-OAHLLOKOSA-N -1 0 391.562 3.304 50 0 GGAARM C[C@H](NC(=O)CSc1nc([O-])cc(=O)n1-c1ccc(F)cc1)c1ccccc1 ZINC000012383867 570650424 /nfs/dbraw/zinc/65/04/24/570650424.db2.gz VIDJKMYFTPNNEZ-ZDUSSCGKSA-N -1 0 399.447 3.047 50 0 GGAARM CCn1cc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(CC(=O)[O-])c3n2)cn1 ZINC000012395264 570652594 /nfs/dbraw/zinc/65/25/94/570652594.db2.gz BOVGSOSUBSTCGB-UHFFFAOYSA-N -1 0 379.342 3.296 50 0 GGAARM COc1ccc(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CCC3)cc1 ZINC000000861763 570664932 /nfs/dbraw/zinc/66/49/32/570664932.db2.gz LODBTPPQPALKGX-UHFFFAOYSA-N -1 0 388.445 3.301 50 0 GGAARM Cn1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])n1 ZINC000685945009 570675467 /nfs/dbraw/zinc/67/54/67/570675467.db2.gz OAGAMZORUXNNOU-IBGZPJMESA-N -1 0 377.400 3.085 50 0 GGAARM O=C([O-])[C@]1(F)CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC12COC2 ZINC000399851156 570678361 /nfs/dbraw/zinc/67/83/61/570678361.db2.gz HJGQMGYYHMPJNP-JOCHJYFZSA-N -1 0 397.402 3.061 50 0 GGAARM CCOC(=O)c1oc2cc([O-])cc(O)c2c(=O)c1-c1ccc(OC)c(OC)c1 ZINC000005644657 570679318 /nfs/dbraw/zinc/67/93/18/570679318.db2.gz WFVZVTCGUDTKRI-UHFFFAOYSA-N -1 0 386.356 3.065 50 0 biogenic GGAARM O=C([O-])Cn1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 ZINC000017299883 570703457 /nfs/dbraw/zinc/70/34/57/570703457.db2.gz MPTZQGBRRCIFFC-LZYBPNLTSA-N -1 0 395.802 3.477 50 0 GGAARM O=C(Cc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000917532 570725474 /nfs/dbraw/zinc/72/54/74/570725474.db2.gz LEUVSIDIBXDMCP-UHFFFAOYSA-N -1 0 391.449 3.264 50 0 GGAARM COc1ccc(-c2nc(C)c(C(=O)N[C@@H](CC(C)C)C(=O)[O-])s2)cc1OC ZINC000012941027 570730866 /nfs/dbraw/zinc/73/08/66/570730866.db2.gz GRKLFFXYTMGEEM-ZDUSSCGKSA-N -1 0 392.477 3.365 50 0 biogenic GGAARM Cc1cc(C)c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c(C)c1 ZINC000000942081 570732038 /nfs/dbraw/zinc/73/20/38/570732038.db2.gz BZHVJGJFLJNYPI-UHFFFAOYSA-N -1 0 396.472 3.455 50 0 GGAARM O=S(=O)([N-]C[C@H](O)c1ccc(-c2ccco2)cc1)c1c(F)cccc1F ZINC000585147836 570742108 /nfs/dbraw/zinc/74/21/08/570742108.db2.gz BITHGKHCNXTQLP-INIZCTEOSA-N -1 0 379.384 3.237 50 0 GGAARM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000013470792 570755596 /nfs/dbraw/zinc/75/55/96/570755596.db2.gz HFUFDNHIPXIWPH-FQEVSTJZSA-N -1 0 375.424 3.336 50 0 GGAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cc(C)ccc4C)c=3c2=O)cc1 ZINC000101167667 570814745 /nfs/dbraw/zinc/81/47/45/570814745.db2.gz WLYKRQPYXANLHV-OALUTQOASA-N -1 0 378.432 3.196 50 0 GGAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C)c4)c=3c2=O)cc1Cl ZINC000101168585 570814970 /nfs/dbraw/zinc/81/49/70/570814970.db2.gz LOFJDGUDIWWKEU-IAGOWNOFSA-N -1 0 384.823 3.150 50 0 GGAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4C)c=3c2=O)cc1Cl ZINC000101168569 570814976 /nfs/dbraw/zinc/81/49/76/570814976.db2.gz OAWWKFBUPKAJJY-IAGOWNOFSA-N -1 0 384.823 3.150 50 0 GGAARM Cc1ccc(NC(=O)c2nnn3c2N=C(C(=O)[O-])C[C@@H]3c2ccc(C)cc2)cc1 ZINC000101353387 570819757 /nfs/dbraw/zinc/81/97/57/570819757.db2.gz YUQDMKMNRPSTNA-QGZVFWFLSA-N -1 0 389.415 3.131 50 0 GGAARM Cc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccccc4C)nnn32)cc1 ZINC000101353392 570819780 /nfs/dbraw/zinc/81/97/80/570819780.db2.gz BGPHGQCSKSXEOO-QGZVFWFLSA-N -1 0 389.415 3.131 50 0 GGAARM CCCc1ccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c(OC)c1 ZINC000014632530 570853371 /nfs/dbraw/zinc/85/33/71/570853371.db2.gz DNBSJHFXVAOLNH-GJZGRUSLSA-N -1 0 379.453 3.489 50 0 GGAARM Cc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000013788637 570901416 /nfs/dbraw/zinc/90/14/16/570901416.db2.gz QZYNECCCZCVLLP-UHFFFAOYSA-N -1 0 399.501 3.395 50 0 GGAARM COC[C@@H](C(=O)[O-])N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 ZINC000309931558 570906073 /nfs/dbraw/zinc/90/60/73/570906073.db2.gz ZIHUQPBNLZYDRK-FQEVSTJZSA-N -1 0 381.428 3.500 50 0 GGAARM CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc21 ZINC000016837562 570911490 /nfs/dbraw/zinc/91/14/90/570911490.db2.gz RODBVGHFERQEQH-UHFFFAOYSA-N -1 0 380.416 3.455 50 0 GGAARM COc1cccc([C@H](c2sc3nc(C)nn3c2[O-])N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000023157886 570920896 /nfs/dbraw/zinc/92/08/96/570920896.db2.gz SSWVLZVKMZTSHP-BFQNTYOBSA-N -1 0 388.493 3.012 50 0 GGAARM Cc1oc2cc3oc(=O)c(CCC(=O)N4CCC[C@H]4C(=O)[O-])c(C)c3cc2c1C ZINC000004062012 570927590 /nfs/dbraw/zinc/92/75/90/570927590.db2.gz UYXRPVYJRIEHMN-KRWDZBQOSA-N -1 0 397.427 3.473 50 0 biogenic GGAARM COc1ccc(NC(=O)c2csc([N-]S(=O)(=O)c3ccccc3)n2)cc1 ZINC000012628049 570928197 /nfs/dbraw/zinc/92/81/97/570928197.db2.gz ZDDFUJZWXZOLID-UHFFFAOYSA-N -1 0 389.458 3.205 50 0 GGAARM Cc1cccc(CS(=O)(=O)[N-]c2ccccc2C(=O)NCc2cccnc2)c1 ZINC000016579480 570928349 /nfs/dbraw/zinc/92/83/49/570928349.db2.gz QDULDSICTGGGNG-UHFFFAOYSA-N -1 0 395.484 3.262 50 0 GGAARM Cc1nc2sc([C@H](c3ccc(F)cc3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000017144205 570928708 /nfs/dbraw/zinc/92/87/08/570928708.db2.gz ZONACRCSPZISRT-RWSFTLGLSA-N -1 0 376.457 3.143 50 0 GGAARM COc1ccccc1CNC(=O)CCCn1c(=O)c2ccccc2[n-]c1=S ZINC000001112869 570931176 /nfs/dbraw/zinc/93/11/76/570931176.db2.gz OJSNKTXEIYQEAZ-UHFFFAOYSA-N -1 0 383.473 3.164 50 0 GGAARM Cc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(C(=O)[O-])cc1 ZINC000016740780 570932134 /nfs/dbraw/zinc/93/21/34/570932134.db2.gz MVTIPZQPMUPAFS-SFHVURJKSA-N -1 0 389.415 3.212 50 0 GGAARM CCOc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)c(=O)[n-]2)cc1 ZINC000016777143 570933043 /nfs/dbraw/zinc/93/30/43/570933043.db2.gz HSKLRRTWCXTQFK-UHFFFAOYSA-N -1 0 396.472 3.298 50 0 GGAARM COCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CCC1=CCCCC1)c2=O ZINC000002812068 570933291 /nfs/dbraw/zinc/93/32/91/570933291.db2.gz SWGRMIHMRXYNLN-UHFFFAOYSA-N -1 0 387.505 3.326 50 0 GGAARM CC(C)c1ccc(Cc2n[n-]c(NCc3ccc4c(c3)OCO4)nc2=O)cc1 ZINC000016806905 570933418 /nfs/dbraw/zinc/93/34/18/570933418.db2.gz HZDCIPFAUBTSIZ-UHFFFAOYSA-N -1 0 378.432 3.220 50 0 GGAARM COc1ccccc1NC(=O)CSc1nnc(Cc2ccc(C)cc2)c(=O)[n-]1 ZINC000016806826 570933538 /nfs/dbraw/zinc/93/35/38/570933538.db2.gz XSMMJYAVEIWPNF-UHFFFAOYSA-N -1 0 396.472 3.216 50 0 GGAARM Cc1ccc(NC(=O)Cc2sc(Nc3ccc(C(=O)[O-])cc3)nc2O)cc1 ZINC000016938723 570935234 /nfs/dbraw/zinc/93/52/34/570935234.db2.gz CYOWJAQYALTZTK-HNNXBMFYSA-N -1 0 383.429 3.132 50 0 GGAARM O=S(=O)([N-]c1nc2ccccc2nc1NC[C@H]1CCCO1)c1cccs1 ZINC000016956086 570935598 /nfs/dbraw/zinc/93/55/98/570935598.db2.gz PTZSACGIMBRBRA-GFCCVEGCSA-N -1 0 390.490 3.083 50 0 GGAARM O=C(Nc1cc(=O)nc2[n-]c(COc3ccccc3)nn21)c1cccc(Cl)c1 ZINC000016996397 570936625 /nfs/dbraw/zinc/93/66/25/570936625.db2.gz VPTHJRNQXOJVJY-UHFFFAOYSA-N -1 0 395.806 3.315 50 0 GGAARM CC(NNc1cccc2ccccc21)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000016995728 570936664 /nfs/dbraw/zinc/93/66/64/570936664.db2.gz APYKNPPLXCKDAT-RGEXLXHISA-N -1 0 392.459 3.441 50 0 GGAARM O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=C1C[C@H](c2cccs2)NN1 ZINC000017029302 570937927 /nfs/dbraw/zinc/93/79/27/570937927.db2.gz QYHOVZLTAWGGDX-QTQPHVRFSA-N -1 0 388.836 3.318 50 0 GGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCCCC2)c1 ZINC000006697476 570938338 /nfs/dbraw/zinc/93/83/38/570938338.db2.gz MJFKMQFOHCPYDY-UHFFFAOYSA-N -1 0 388.489 3.431 50 0 GGAARM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)cc1C(=O)Nc1ccccc1 ZINC000006707023 570938774 /nfs/dbraw/zinc/93/87/74/570938774.db2.gz CEFIGZIWHYZYEZ-UHFFFAOYSA-N -1 0 397.456 3.452 50 0 GGAARM CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1C(=O)NC1CC1 ZINC000017077001 570939009 /nfs/dbraw/zinc/93/90/09/570939009.db2.gz ZNMVIRKAYPUYJA-ZIAGYGMSSA-N -1 0 376.478 3.117 50 0 GGAARM O=c1c2cc(Cc3ccccc3)sc2[n-]c(=S)n1CCN1CCOCC1 ZINC000017079158 570940068 /nfs/dbraw/zinc/94/00/68/570940068.db2.gz BMDLBXKTURYYKV-UHFFFAOYSA-N -1 0 387.530 3.044 50 0 GGAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCCC2 ZINC000017079686 570940331 /nfs/dbraw/zinc/94/03/31/570940331.db2.gz KWYUYBQCBIIDEB-CHWSQXEVSA-N -1 0 390.505 3.349 50 0 GGAARM CCc1c(C)sc(NC(=O)CCCC(=O)[O-])c1C(=O)NCc1cccnc1 ZINC000017079498 570940391 /nfs/dbraw/zinc/94/03/91/570940391.db2.gz DOHVAPFQNQIKSI-UHFFFAOYSA-N -1 0 389.477 3.137 50 0 GGAARM O=C([O-])CCCC(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 ZINC000017079638 570940440 /nfs/dbraw/zinc/94/04/40/570940440.db2.gz FUJCKHXWDHVWKD-UHFFFAOYSA-N -1 0 390.461 3.343 50 0 GGAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)Nc1sccc1C(=O)N1CCCCC1 ZINC000017079690 570940470 /nfs/dbraw/zinc/94/04/70/570940470.db2.gz SUODQAYZEGIDAO-BCAXMMLOSA-N -1 0 390.505 3.450 50 0 GGAARM NC(=O)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000017079674 570940482 /nfs/dbraw/zinc/94/04/82/570940482.db2.gz UOTUSLWQGGSRGR-RLNQVHQUSA-N -1 0 390.505 3.191 50 0 GGAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1sc2c(c1C(=O)NC1CC1)CCCC2 ZINC000017079332 570940493 /nfs/dbraw/zinc/94/04/93/570940493.db2.gz QHWZZLAAZQPQBO-QWHCGFSZSA-N -1 0 388.489 3.125 50 0 GGAARM CCCC[C@@H](NC(=O)COc1ccc2c(CCC)cc(=O)oc2c1C)C(=O)[O-] ZINC000002093068 570940532 /nfs/dbraw/zinc/94/05/32/570940532.db2.gz DTNAANVQNKVHBL-MRXNPFEDSA-N -1 0 389.448 3.192 50 0 biogenic GGAARM CC[C@H](C)[C@H](NC(=O)[C@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-] ZINC000002096637 570941242 /nfs/dbraw/zinc/94/12/42/570941242.db2.gz VGXCIBPQEKJWIO-NCHVAJSOSA-N -1 0 389.448 3.101 50 0 biogenic GGAARM CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000002097908 570941290 /nfs/dbraw/zinc/94/12/90/570941290.db2.gz IPMQJGIHJMAQMC-UGSOOPFHSA-N -1 0 389.448 3.047 50 0 biogenic GGAARM NC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCc1ccccc1-2 ZINC000017081020 570941349 /nfs/dbraw/zinc/94/13/49/570941349.db2.gz BNIADBZZTPKISR-UONOGXRCSA-N -1 0 396.468 3.218 50 0 GGAARM Cc1coc2cc3oc(=O)c(CC(=O)N4CCCC[C@H]4C(=O)[O-])c(C)c3cc12 ZINC000002098399 570941662 /nfs/dbraw/zinc/94/16/62/570941662.db2.gz RISFVYSCNUHJFS-INIZCTEOSA-N -1 0 383.400 3.164 50 0 biogenic GGAARM CCCCc1cc(=O)oc2cc(OCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000002098102 570941682 /nfs/dbraw/zinc/94/16/82/570941682.db2.gz QWTOCYKCNRKJNE-RBZFPXEDSA-N -1 0 389.448 3.130 50 0 biogenic GGAARM CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000002097909 570941686 /nfs/dbraw/zinc/94/16/86/570941686.db2.gz IPMQJGIHJMAQMC-ACJLOTCBSA-N -1 0 389.448 3.047 50 0 biogenic GGAARM CCC[C@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)[O-] ZINC000002098795 570941798 /nfs/dbraw/zinc/94/17/98/570941798.db2.gz IQNFKLXOJMZJNC-INIZCTEOSA-N -1 0 385.416 3.376 50 0 biogenic GGAARM CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCCCC(=O)[O-])ccc12 ZINC000002100404 570942167 /nfs/dbraw/zinc/94/21/67/570942167.db2.gz YTYMUJNMYCTKTN-AWEZNQCLSA-N -1 0 389.448 3.192 50 0 biogenic GGAARM Cc1coc2c1cc1c(C)c(CCC(=O)NCCCC(=O)[O-])c(=O)oc1c2C ZINC000002106499 570948546 /nfs/dbraw/zinc/94/85/46/570948546.db2.gz LNNJXERVJPEENT-UHFFFAOYSA-N -1 0 385.416 3.378 50 0 biogenic GGAARM Cc1coc2cc3oc(=O)c(CC(=O)N4CCC(C(=O)[O-])CC4)c(C)c3cc12 ZINC000002106480 570948578 /nfs/dbraw/zinc/94/85/78/570948578.db2.gz UXJUFTMWUBLPNE-UHFFFAOYSA-N -1 0 383.400 3.022 50 0 biogenic GGAARM Cc1c(C)c2ccc(O[C@H](C)C(=O)NCCCCCC(=O)[O-])c(C)c2oc1=O ZINC000002107024 570948737 /nfs/dbraw/zinc/94/87/37/570948737.db2.gz OOVGZGABOJYMCZ-OAHLLOKOSA-N -1 0 389.448 3.247 50 0 biogenic GGAARM COc1cc(C(=O)Nc2c3cc(C)ccc3[nH]c2C(=O)[O-])cc(OC)c1OC ZINC000002106887 570948773 /nfs/dbraw/zinc/94/87/73/570948773.db2.gz HGZWQZUZFOCHQE-UHFFFAOYSA-N -1 0 384.388 3.453 50 0 biogenic GGAARM O=C(Nc1nccs1)c1c([O-])c2ccccc2n(Cc2ccccc2)c1=O ZINC000001259943 570950474 /nfs/dbraw/zinc/95/04/74/570950474.db2.gz HYAVIHSXSUZODN-UHFFFAOYSA-N -1 0 377.425 3.464 50 0 GGAARM CO[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@](C)(C(=O)[O-])C1 ZINC000521398765 570953785 /nfs/dbraw/zinc/95/37/85/570953785.db2.gz LMPQFWMCCLLYFK-PEBXRYMYSA-N -1 0 381.428 3.500 50 0 GGAARM COc1c2ccoc2c(OC)c2c1C([O-])=C[C@](O)(C(F)(F)C(F)(F)F)O2 ZINC000001280329 570953942 /nfs/dbraw/zinc/95/39/42/570953942.db2.gz WFLIXXGKBJIJIG-CYBMUJFWSA-N -1 0 382.237 3.301 50 0 biogenic GGAARM CCCc1nnc(NC(=O)C[C@H]([N-]C(=O)C(F)(F)F)c2ccccc2)s1 ZINC000003179103 570955002 /nfs/dbraw/zinc/95/50/02/570955002.db2.gz HYCAYDPMPYLQGT-NSHDSACASA-N -1 0 386.399 3.239 50 0 GGAARM CC[C@@H](C)n1c(=O)c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c([O-])[nH]c1=S ZINC000002126294 570958094 /nfs/dbraw/zinc/95/80/94/570958094.db2.gz OSGJRKXNIUBYKE-OQPBUACISA-N -1 0 392.433 3.272 50 0 biogenic GGAARM CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)ccc12 ZINC000252463698 570961161 /nfs/dbraw/zinc/96/11/61/570961161.db2.gz SVKUVJVFUWNETR-VLXJIEOASA-N -1 0 389.448 3.128 50 0 GGAARM CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000002146403 570971747 /nfs/dbraw/zinc/97/17/47/570971747.db2.gz AJEXICSUMPKHSO-BUXKBTBVSA-N -1 0 389.448 3.048 50 0 biogenic GGAARM O=C([O-])CSc1nnc(Cc2ccc3c(c2)OCCCO3)n1-c1ccccc1 ZINC000098086491 570992140 /nfs/dbraw/zinc/99/21/40/570992140.db2.gz IPSYDSBZFNJXIU-UHFFFAOYSA-N -1 0 397.456 3.196 50 0 GGAARM O=C(c1cnc(-c2cccs2)[nH]c1=O)N1CCc2[nH]nc(C3CCC3)c2C1 ZINC000091381925 571005317 /nfs/dbraw/zinc/00/53/17/571005317.db2.gz ZXSDRBUAAYQTQG-UHFFFAOYSA-N -1 0 381.461 3.100 50 0 GGAARM O=C([O-])[C@@H]1CN(C(=O)Cc2cc(F)c(F)c(F)c2)C[C@H]1c1cccc(F)c1 ZINC000091526629 571012587 /nfs/dbraw/zinc/01/25/87/571012587.db2.gz MWPTXKQAJGKLKF-UONOGXRCSA-N -1 0 381.325 3.112 50 0 GGAARM CSc1ccc(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@H](C(=O)[O-])C2)cc1 ZINC000091663280 571024248 /nfs/dbraw/zinc/02/42/48/571024248.db2.gz KNEYRKQFXOKLTR-JKSUJKDBSA-N -1 0 385.441 3.078 50 0 GGAARM O=C([O-])[C@@H]1CN(C(=O)c2ccccc2OC(F)F)C[C@H]1c1ccc(F)cc1 ZINC000091859595 571033744 /nfs/dbraw/zinc/03/37/44/571033744.db2.gz YQSNZRASNNCJHQ-LSDHHAIUSA-N -1 0 379.334 3.368 50 0 GGAARM CCC[C@]1(C(=O)[O-])CCCN(C(=O)C2(c3ccc(F)cc3)CCOCC2)C1 ZINC000092062083 571042976 /nfs/dbraw/zinc/04/29/76/571042976.db2.gz FBMUMNXNIYAMKW-FQEVSTJZSA-N -1 0 377.456 3.367 50 0 GGAARM COc1ccc(CC(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)cc1OC ZINC000095353776 571050902 /nfs/dbraw/zinc/05/09/02/571050902.db2.gz KRXACTGOWKRGCX-SFHVURJKSA-N -1 0 383.444 3.351 50 0 GGAARM CCc1nc(C)ccc1OCC(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095355476 571052037 /nfs/dbraw/zinc/05/20/37/571052037.db2.gz LAKPMJYARJBQFM-SFHVURJKSA-N -1 0 382.460 3.436 50 0 GGAARM Cc1cc(F)c([C@@H](C(=O)[O-])N2CCN(Cc3ccccn3)CC2)cc1Cl ZINC000095355729 571052060 /nfs/dbraw/zinc/05/20/60/571052060.db2.gz LSGBJZHDLSKCGC-SFHVURJKSA-N -1 0 377.847 3.126 50 0 GGAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3nc4ccccc4c(=O)[nH]3)C2)c1 ZINC000095358861 571053688 /nfs/dbraw/zinc/05/36/88/571053688.db2.gz TYJGQRCQFQQKDI-OAHLLOKOSA-N -1 0 377.400 3.053 50 0 GGAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)c3cnc(CN4CCCC4)s3)C2)cc1 ZINC000095360495 571054874 /nfs/dbraw/zinc/05/48/74/571054874.db2.gz IOYSQFYOHGHFHR-QGZVFWFLSA-N -1 0 399.516 3.457 50 0 GGAARM COc1ccc2c(c1)OC[C@]1(C(=O)[O-])CN(C(=O)c3cc(C)ccc3C)C[C@H]21 ZINC000095363338 571057113 /nfs/dbraw/zinc/05/71/13/571057113.db2.gz NZHAROBKVGZVAB-XMSQKQJNSA-N -1 0 381.428 3.015 50 0 GGAARM O=C([O-])c1cccc([C@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)c1 ZINC000095372828 571062216 /nfs/dbraw/zinc/06/22/16/571062216.db2.gz CIYOCDFNFBWDPZ-KRWDZBQOSA-N -1 0 377.437 3.233 50 0 GGAARM Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095378217 571065740 /nfs/dbraw/zinc/06/57/40/571065740.db2.gz AYKQUDGMBGKYAL-SFHVURJKSA-N -1 0 392.459 3.373 50 0 GGAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)c3cnc(-c4cccnc4)nc3)C2)cc1 ZINC000095379145 571066166 /nfs/dbraw/zinc/06/61/66/571066166.db2.gz ADHGHNFINJKLAL-GOSISDBHSA-N -1 0 388.427 3.257 50 0 GGAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)CCNC(=O)c3ccc(F)cc3)C2)cc1 ZINC000095379774 571066663 /nfs/dbraw/zinc/06/66/63/571066663.db2.gz KEVLKPDDEWCJFA-SFHVURJKSA-N -1 0 398.434 3.050 50 0 GGAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)c3ccccc3-c3nc[nH]n3)C2)cc1 ZINC000095381876 571068061 /nfs/dbraw/zinc/06/80/61/571068061.db2.gz KHFPCMARIDCJMW-INIZCTEOSA-N -1 0 376.416 3.190 50 0 GGAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)c3ccccc3-c3nc[nH]n3)C2)cc1 ZINC000095381877 571068193 /nfs/dbraw/zinc/06/81/93/571068193.db2.gz KHFPCMARIDCJMW-MRXNPFEDSA-N -1 0 376.416 3.190 50 0 GGAARM O=C([O-])[C@H](c1cccc(C(F)(F)F)c1)N1CCN(Cc2cccnc2)CC1 ZINC000095382411 571068617 /nfs/dbraw/zinc/06/86/17/571068617.db2.gz WNPJOUZZIDDWPV-KRWDZBQOSA-N -1 0 379.382 3.044 50 0 GGAARM Cn1nc(C(F)(F)F)cc1C(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095392384 571073549 /nfs/dbraw/zinc/07/35/49/571073549.db2.gz HYYUDHPUOZUZQB-CYBMUJFWSA-N -1 0 381.354 3.157 50 0 GGAARM COc1ccccc1OC1(C(=O)[O-])CCN(Cc2cc(C(C)(C)C)n[nH]2)CC1 ZINC000095526261 571090732 /nfs/dbraw/zinc/09/07/32/571090732.db2.gz YHCIVXMRTOUCLX-UHFFFAOYSA-N -1 0 387.480 3.214 50 0 GGAARM O=C([O-])c1ccc2c(c1)n(Cc1ccncc1)c(=O)n2Cc1ccc(F)cc1 ZINC000055369666 1406941681 /nfs/dbraw/zinc/94/16/81/1406941681.db2.gz IJUOKQHVSQIPGD-UHFFFAOYSA-N -1 0 377.375 3.132 50 0 GGAARM COc1ccc(OC)c([C@@H]2CC(c3c([O-])cc(C)oc3=O)=NCCS2)c1 ZINC000000754313 1398300690 /nfs/dbraw/zinc/30/06/90/1398300690.db2.gz ICVAADACQUVRCK-KRWDZBQOSA-N -1 0 375.446 3.338 50 0 GGAARM COc1cc([C@H]2CC(c3c([O-])cc(C)oc3=O)=NCCS2)cc(OC)c1O ZINC000000754270 1398300724 /nfs/dbraw/zinc/30/07/24/1398300724.db2.gz MBCLVSLSUKTWCG-MRXNPFEDSA-N -1 0 391.445 3.044 50 0 GGAARM COc1cc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=NCCS2)cc(OC)c1O ZINC000000754271 1398301084 /nfs/dbraw/zinc/30/10/84/1398301084.db2.gz MBCLVSLSUKTWCG-INIZCTEOSA-N -1 0 391.445 3.044 50 0 GGAARM C[C@]12c3[nH]c4ccccc4c3CCN1C(=O)N(c1ccc(C(=O)[O-])cc1)C2=O ZINC000002104294 1398304625 /nfs/dbraw/zinc/30/46/25/1398304625.db2.gz LJROTPSGSMEJCY-OAQYLSRUSA-N -1 0 375.384 3.106 50 0 GGAARM O=C(Nc1n[nH]c(Sc2ccc([N+](=O)[O-])cn2)n1)C(Cl)=C(Cl)Cl ZINC000002154193 1398304822 /nfs/dbraw/zinc/30/48/22/1398304822.db2.gz VLFDKDLZBIKCPM-UHFFFAOYSA-N -1 0 395.615 3.083 50 0 GGAARM Cc1oc2cc3oc(=O)c(CC(=O)N[C@@H](C(=O)[O-])C(C)C)c(C)c3cc2c1C ZINC000002091719 1398304960 /nfs/dbraw/zinc/30/49/60/1398304960.db2.gz LKLYOPXZOOVPBE-LJQANCHMSA-N -1 0 385.416 3.232 50 0 biogenic GGAARM CCC(=O)NC(c1c(C)[n-]n(-c2ccccc2)c1=O)(C(F)(F)F)C(F)(F)F ZINC000002260611 1398305867 /nfs/dbraw/zinc/30/58/67/1398305867.db2.gz GYBIWYVOFDBTCV-UHFFFAOYSA-N -1 0 395.303 3.320 50 0 GGAARM COc1ccccc1-n1c(=O)c2c3c(sc2nc1SCC(=O)[O-])CCC3 ZINC000002296562 1398306787 /nfs/dbraw/zinc/30/67/87/1398306787.db2.gz 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O=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=NNc1c(O)ccc2ccccc21 ZINC000008576236 1398841117 /nfs/dbraw/zinc/84/11/17/1398841117.db2.gz CNOZFYGQAXEOTD-UHFFFAOYSA-N -1 0 394.408 3.173 50 0 aggregator GGAARM CC(=O)c1ccc(NC(=O)[C@]2(CC(=O)[O-])CC(c3ccc(F)cc3)=NO2)cc1 ZINC000009041503 1398852441 /nfs/dbraw/zinc/85/24/41/1398852441.db2.gz LZYYFCJMQVOODB-HXUWFJFHSA-N -1 0 384.363 3.005 50 0 GGAARM CN1c2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2OCC(C)(C)C1=O ZINC000009165464 1398854499 /nfs/dbraw/zinc/85/44/99/1398854499.db2.gz BQMAUXOFRHVGKV-UHFFFAOYSA-N -1 0 396.415 3.147 50 0 GGAARM Cc1cc(OS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n(-c2ccccc2)n1 ZINC000011851944 1399015020 /nfs/dbraw/zinc/01/50/20/1399015020.db2.gz DQZZHADGANOKQV-UHFFFAOYSA-N -1 0 392.820 3.300 50 0 GGAARM COc1ccc(Cl)c(N2C(=O)C[C@@H](Sc3ccccc3C(=O)[O-])C2=O)c1 ZINC000018249591 1399309507 /nfs/dbraw/zinc/30/95/07/1399309507.db2.gz FUVJKIOVUAADRE-OAHLLOKOSA-N -1 0 391.832 3.471 50 0 GGAARM CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022577816 1399479109 /nfs/dbraw/zinc/47/91/09/1399479109.db2.gz BGRCCCKTYXFWNS-HNNXBMFYSA-N -1 0 391.928 3.049 50 0 GGAARM CCc1nc2sc([C@H](c3ccc(C)cc3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022578086 1399479354 /nfs/dbraw/zinc/47/93/54/1399479354.db2.gz QXULODGLVHYUCT-KRWDZBQOSA-N -1 0 385.537 3.094 50 0 GGAARM O=S(=O)([N-]c1ccccc1OC[C@@H]1CCCCO1)c1c[nH]c2ncccc12 ZINC000057124580 1407528061 /nfs/dbraw/zinc/52/80/61/1407528061.db2.gz ZVGIETRHTHQLFT-AWEZNQCLSA-N -1 0 387.461 3.312 50 0 GGAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)[C@H](C)Oc1cccc(C(F)(F)F)c1 ZINC000065491265 1408678234 /nfs/dbraw/zinc/67/82/34/1408678234.db2.gz YJOMQIYEUYXIIX-NSHDSACASA-N -1 0 385.342 3.009 50 0 GGAARM CC#CC[C@@H](C)[C@@H](O)/C=C/[C@H]1[C@@H]2c3cccc(CCCC(=O)[O-])c3O[C@@H]2C[C@@H]1O ZINC000066148128 1408785188 /nfs/dbraw/zinc/78/51/88/1408785188.db2.gz CTPOHARTNNSRSR-PUCIQUSYSA-N -1 0 398.499 3.286 50 0 GGAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2c1[C@@H](c1cnn(C)c1)SCC(=O)N2 ZINC000079483222 1409976863 /nfs/dbraw/zinc/97/68/63/1409976863.db2.gz USGTZPVOTHOVJZ-MRXNPFEDSA-N -1 0 383.433 3.037 50 0 GGAARM O=C(c1ccccc1-c1nn[n-]n1)N1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071753379 1424389097 /nfs/dbraw/zinc/38/90/97/1424389097.db2.gz AUSRCMAXZOONOB-INIZCTEOSA-N -1 0 379.439 3.491 50 0 GGAARM COc1cccc(-c2nc(C)c(C(=O)N[C@H](CCSC)C(=O)[O-])s2)c1 ZINC000206414538 1433353703 /nfs/dbraw/zinc/35/37/03/1433353703.db2.gz WBWWCINDSWPIFI-CYBMUJFWSA-N -1 0 380.491 3.063 50 0 GGAARM Cc1nc2sc([C@H](c3ccc(F)cc3)N3C[C@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000227725947 1433370158 /nfs/dbraw/zinc/37/01/58/1433370158.db2.gz ZONACRCSPZISRT-PGUXBMHVSA-N -1 0 376.457 3.143 50 0 GGAARM O=C([O-])c1cn(CCNC(=O)OCC2c3ccccc3-c3ccccc32)cn1 ZINC000231625188 1433373260 /nfs/dbraw/zinc/37/32/60/1433373260.db2.gz QLBINRVYIPNLFL-UHFFFAOYSA-N -1 0 377.400 3.120 50 0 GGAARM Cc1cccc([C@H](NC(=O)N2CCN(c3cc(C)cc(C)c3)CC2)C(=O)[O-])c1 ZINC000426597452 231244914 /nfs/dbraw/zinc/24/49/14/231244914.db2.gz VQGAZNSRZDPVJK-FQEVSTJZSA-N -1 0 381.476 3.269 50 0 GGAARM CN(C)c1ccc(C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)CC[C@]3(C(=O)[O-])C2)cn1 ZINC000426657123 529776453 /nfs/dbraw/zinc/77/64/53/529776453.db2.gz ZZQPLUGCKNYHQU-LTMIRXACSA-N -1 0 393.487 3.258 50 0 GGAARM CC(NCc1ccccc1Cl)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000005884693 209123986 /nfs/dbraw/zinc/12/39/86/209123986.db2.gz CYSQPEBPKCEJMO-GHRIWEEISA-N -1 0 383.835 3.295 50 0 GGAARM COc1ccc2[nH]cc(CCNc3nnc(Cc4ccc(F)cc4)c(=O)[n-]3)c2c1 ZINC000004818444 209120350 /nfs/dbraw/zinc/12/03/50/209120350.db2.gz WWZUEYZMKRFTFY-UHFFFAOYSA-N -1 0 393.422 3.039 50 0 GGAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1c[nH]c3ccccc13)c2=O ZINC000002135934 206249989 /nfs/dbraw/zinc/24/99/89/206249989.db2.gz JHFSJNWXDXCNRW-UHFFFAOYSA-N -1 0 379.441 3.196 50 0 biogenic GGAARM COc1ccc2[nH]c3c([n-]c(=S)n(CCCCC(=O)NC(C)C)c3=O)c2c1 ZINC000020331435 206252118 /nfs/dbraw/zinc/25/21/18/206252118.db2.gz PLIWQVORYPHGQJ-UHFFFAOYSA-N -1 0 388.493 3.244 50 0 GGAARM CCN1c2ccc([N-]S(=O)(=O)c3ccccc3F)cc2OCC(C)(C)C1=O ZINC000009166135 206306653 /nfs/dbraw/zinc/30/66/53/206306653.db2.gz ZJUCCTHYHWAPFB-UHFFFAOYSA-N -1 0 392.452 3.398 50 0 GGAARM CC1(C)COc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2NC1=O ZINC000009173238 206307369 /nfs/dbraw/zinc/30/73/69/206307369.db2.gz NXJRZYKTBVBNFC-UHFFFAOYSA-N -1 0 380.853 3.498 50 0 GGAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)(C)C)cc1OC ZINC000000645849 206312264 /nfs/dbraw/zinc/31/22/64/206312264.db2.gz PQAWIMVXNUQGFO-UHFFFAOYSA-N -1 0 392.477 3.033 50 0 GGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3)C2)cc1OC ZINC000000890329 206331502 /nfs/dbraw/zinc/33/15/02/206331502.db2.gz XHPHNVAKFRSOOF-QGZVFWFLSA-N -1 0 382.416 3.246 50 0 GGAARM CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1 ZINC000000669366 206314844 /nfs/dbraw/zinc/31/48/44/206314844.db2.gz IAUJIYUWHHZTPJ-UHFFFAOYSA-N -1 0 384.461 3.415 50 0 GGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(I)cc1 ZINC000000682331 206316940 /nfs/dbraw/zinc/31/69/40/206316940.db2.gz HHVYPVSLSOJHAX-UHFFFAOYSA-N -1 0 389.214 3.101 50 0 GGAARM O=C([O-])c1cccnc1S[C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000000887682 206331564 /nfs/dbraw/zinc/33/15/64/206331564.db2.gz DBBGNZNRWGZZSC-LBPRGKRZSA-N -1 0 396.346 3.223 50 0 GGAARM O=S(=O)([N-]c1cccnc1)c1cc(Br)ccc1Br ZINC000000781589 206320813 /nfs/dbraw/zinc/32/08/13/206320813.db2.gz DAHZBCLQFXSATN-UHFFFAOYSA-N -1 0 392.072 3.407 50 0 GGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cccc(Cl)c1 ZINC000000800948 206322888 /nfs/dbraw/zinc/32/28/88/206322888.db2.gz ODKISNHFNFYDEE-UHFFFAOYSA-N -1 0 388.836 3.183 50 0 GGAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccco2)cc1 ZINC000000802820 206323034 /nfs/dbraw/zinc/32/30/34/206323034.db2.gz UUZROGUPWOOGJA-UHFFFAOYSA-N -1 0 386.429 3.019 50 0 GGAARM COc1ccc(Cl)c(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)c1 ZINC000000801881 206323170 /nfs/dbraw/zinc/32/31/70/206323170.db2.gz FUVJKIOVUAADRE-HNNXBMFYSA-N -1 0 391.832 3.471 50 0 GGAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C(=O)CCC4)cc1 ZINC000000816421 206323624 /nfs/dbraw/zinc/32/36/24/206323624.db2.gz UFSFSBBYWNVREP-UHFFFAOYSA-N -1 0 385.397 3.451 50 0 GGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)no1 ZINC000000814481 206324114 /nfs/dbraw/zinc/32/41/14/206324114.db2.gz QAEQJUSQLPWAFM-UHFFFAOYSA-N -1 0 378.454 3.238 50 0 GGAARM O=C(/C=C/c1ccco1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000824058 206325429 /nfs/dbraw/zinc/32/54/29/206325429.db2.gz ATMMCTWXCIUMBT-VMPITWQZSA-N -1 0 375.431 3.189 50 0 GGAARM CCCC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000000860687 206329771 /nfs/dbraw/zinc/32/97/71/206329771.db2.gz JAPQIOFTOYHZPK-UHFFFAOYSA-N -1 0 380.853 3.197 50 0 GGAARM Cn1nc(-c2ccc(Cl)cc2)cc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000001033894 206343662 /nfs/dbraw/zinc/34/36/62/206343662.db2.gz AXROMLFQENPFAN-UHFFFAOYSA-N -1 0 389.824 3.078 50 0 GGAARM O=C([O-])C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCC(=O)CC1 ZINC000001081453 206351019 /nfs/dbraw/zinc/35/10/19/206351019.db2.gz SHBYYFRMCILKOK-UHFFFAOYSA-N -1 0 379.412 3.492 50 0 GGAARM O=S(=O)([N-]c1ccccn1)c1cc(Br)ccc1Br ZINC000001102558 206352683 /nfs/dbraw/zinc/35/26/83/206352683.db2.gz YWXSQZLRZAVHQO-UHFFFAOYSA-N -1 0 392.072 3.407 50 0 GGAARM O=C(Nc1cccc(Br)c1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000001300831 206371760 /nfs/dbraw/zinc/37/17/60/206371760.db2.gz XQVTXOFWSKWQCC-UHFFFAOYSA-N -1 0 385.217 3.278 50 0 GGAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)Nc1ccc(F)cc1 ZINC000009828708 206373580 /nfs/dbraw/zinc/37/35/80/206373580.db2.gz USGOVGNKFUZXLY-UHFFFAOYSA-N -1 0 391.449 3.264 50 0 GGAARM O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)Nc1ccccc1F ZINC000009761966 206376757 /nfs/dbraw/zinc/37/67/57/206376757.db2.gz REHFIDMABBGTCW-UHFFFAOYSA-N -1 0 399.856 3.321 50 0 GGAARM O=C(O[C@@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2cc3c(cc21)OCO3)c1cccs1 ZINC000001399355 206378217 /nfs/dbraw/zinc/37/82/17/206378217.db2.gz LFDFBEIBQHLALV-GHMZBOCLSA-N -1 0 399.346 3.498 50 0 GGAARM O=C(O[C@H]1C[C@@H]([N-]C(=O)C(F)(F)F)c2cc3c(cc21)OCO3)c1cccs1 ZINC000001399354 206378503 /nfs/dbraw/zinc/37/85/03/206378503.db2.gz LFDFBEIBQHLALV-MNOVXSKESA-N -1 0 399.346 3.498 50 0 GGAARM Cc1cc(C([O-])=CS(=O)(=O)c2ccc(F)cc2)cc(C)c1OC(=O)N(C)C ZINC000001403033 206379609 /nfs/dbraw/zinc/37/96/09/206379609.db2.gz SQELVLVGSZGXAX-UHFFFAOYSA-N -1 0 393.436 3.160 50 0 GGAARM CCOC(=O)c1c(C)c(C)sc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000001425988 206380763 /nfs/dbraw/zinc/38/07/63/206380763.db2.gz ATWMSOBEBPGPNI-UHFFFAOYSA-N -1 0 397.474 3.114 50 0 GGAARM CCOc1ccc(CCN2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1OCC ZINC000001421847 206381114 /nfs/dbraw/zinc/38/11/14/206381114.db2.gz UPIGFQGKHLJYHC-UHFFFAOYSA-N -1 0 383.400 3.021 50 0 GGAARM COc1cccc(N2C(=O)/C(=C/c3cc(C)n(C4CC4)c3C)C(=O)[N-]C2=S)c1 ZINC000001163652 206362428 /nfs/dbraw/zinc/36/24/28/206362428.db2.gz BBELAWLEGQTKDX-VCHYOVAHSA-N -1 0 395.484 3.280 50 0 GGAARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1C1CC1 ZINC000001161101 206362904 /nfs/dbraw/zinc/36/29/04/206362904.db2.gz ZWMZOKIJCJDYLW-LICLKQGHSA-N -1 0 383.448 3.410 50 0 GGAARM O=C([O-])c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1 ZINC000001188937 206365640 /nfs/dbraw/zinc/36/56/40/206365640.db2.gz UTQHGZMWVDCBTN-UHFFFAOYSA-N -1 0 386.363 3.438 50 0 GGAARM CSc1nnc2c(n1)O[C@@H](c1ccc(OCC(=O)[O-])cc1)Nc1ccccc1-2 ZINC000001207305 206368294 /nfs/dbraw/zinc/36/82/94/206368294.db2.gz WDTZPAHREWFMEJ-KRWDZBQOSA-N -1 0 396.428 3.227 50 0 GGAARM COC(=O)[C@]([N-]c1nc2ccccc2s1)(NC(=O)CC(C)C)C(F)(F)F ZINC000002050504 206395276 /nfs/dbraw/zinc/39/52/76/206395276.db2.gz IACOTOHRRAUKMA-OAHLLOKOSA-N -1 0 389.399 3.302 50 0 GGAARM COc1cc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)cc(OC)c1 ZINC000002055810 206397011 /nfs/dbraw/zinc/39/70/11/206397011.db2.gz UUWOTPWHXCCBTC-UHFFFAOYSA-N -1 0 384.413 3.224 50 0 GGAARM CCCc1cc(=O)oc2c(C)c(OCC(=O)NCCCCCC(=O)[O-])ccc12 ZINC000002095770 206398061 /nfs/dbraw/zinc/39/80/61/206398061.db2.gz XMGUKQBJBBHSSF-UHFFFAOYSA-N -1 0 389.448 3.194 50 0 biogenic GGAARM CCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](CCC)C(=O)[O-])ccc12 ZINC000002098358 206398153 /nfs/dbraw/zinc/39/81/53/206398153.db2.gz FCDWTWTWEDBVBX-XJKSGUPXSA-N -1 0 389.448 3.191 50 0 biogenic GGAARM Cc1coc2cc3oc(=O)c(CC(=O)N4CCCC[C@@H]4C(=O)[O-])c(C)c3cc12 ZINC000002098402 206398230 /nfs/dbraw/zinc/39/82/30/206398230.db2.gz RISFVYSCNUHJFS-MRXNPFEDSA-N -1 0 383.400 3.164 50 0 biogenic GGAARM CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-] ZINC000002098075 206398282 /nfs/dbraw/zinc/39/82/82/206398282.db2.gz UIAFHEIBYFAFLF-GDBMZVCRSA-N -1 0 389.448 3.245 50 0 biogenic GGAARM CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000002095531 206398841 /nfs/dbraw/zinc/39/88/41/206398841.db2.gz WXRJBUAEMUEPGE-RBZFPXEDSA-N -1 0 395.411 3.065 50 0 biogenic GGAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCC(=O)[O-])occ3C(C)(C)C ZINC000002112730 206399177 /nfs/dbraw/zinc/39/91/77/206399177.db2.gz MGIBXTBXQOHZMC-UHFFFAOYSA-N -1 0 385.416 3.279 50 0 biogenic GGAARM CCCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc12 ZINC000002105476 206399362 /nfs/dbraw/zinc/39/93/62/206399362.db2.gz ZKSKWALACRWCGI-KRWDZBQOSA-N -1 0 389.448 3.130 50 0 biogenic GGAARM O=C([O-])c1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000002192155 206401537 /nfs/dbraw/zinc/40/15/37/206401537.db2.gz CXFJRLWRLCMDHN-UHFFFAOYSA-N -1 0 380.400 3.180 50 0 GGAARM Cc1nn(-c2ccccc2)c2c1cc1c(=O)[n-]c(=O)nc-1n2-c1cc(C)ccc1C ZINC000002249892 206403932 /nfs/dbraw/zinc/40/39/32/206403932.db2.gz IPDLMSGRJCOZTM-UHFFFAOYSA-N -1 0 397.438 3.290 50 0 GGAARM COc1ccc2cnnc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)c2c1OC ZINC000002420468 206415687 /nfs/dbraw/zinc/41/56/87/206415687.db2.gz JVDFINSUFSEPOR-UHFFFAOYSA-N -1 0 399.428 3.076 50 0 GGAARM COC(=O)c1ccc(CSc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)cc1 ZINC000002705110 206429109 /nfs/dbraw/zinc/42/91/09/206429109.db2.gz KNBUNOSCNAVNTI-UHFFFAOYSA-N -1 0 390.442 3.070 50 0 GGAARM CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)[O-] ZINC000002583084 206422174 /nfs/dbraw/zinc/42/21/74/206422174.db2.gz DYUYEAWOUQONRU-CYBMUJFWSA-N -1 0 383.242 3.451 50 0 GGAARM CCOc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(SC)cc2)cc1 ZINC000002958621 206449910 /nfs/dbraw/zinc/44/99/10/206449910.db2.gz JEHLGPWUGZZAFN-UHFFFAOYSA-N -1 0 381.475 3.087 50 0 GGAARM O=C(Cc1ccccc1F)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000003561068 206488358 /nfs/dbraw/zinc/48/83/58/206488358.db2.gz NBGMTSPNNRMMGM-UHFFFAOYSA-N -1 0 391.449 3.264 50 0 GGAARM CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccccc3C(=O)[O-])C(=O)N21 ZINC000003882127 206494564 /nfs/dbraw/zinc/49/45/64/206494564.db2.gz GYQLQGLHLHUNQD-KRWDZBQOSA-N -1 0 389.411 3.495 50 0 biogenic GGAARM O=C([O-])c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 ZINC000004521303 206526425 /nfs/dbraw/zinc/52/64/25/206526425.db2.gz NJYVEMPWNAYQQN-UHFFFAOYSA-N -1 0 376.320 3.364 50 0 in-vitro GGAARM COC(=O)C[C@H](NC(=O)CCC(=O)[O-])c1ccc(F)c(Oc2ccccc2)c1 ZINC000004550612 206527968 /nfs/dbraw/zinc/52/79/68/206527968.db2.gz AWTYLCIJESKGFS-INIZCTEOSA-N -1 0 389.379 3.203 50 0 GGAARM CCOc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccc(F)cc1 ZINC000004571989 206530897 /nfs/dbraw/zinc/53/08/97/206530897.db2.gz BMVFXTDMANIICE-WMLDXEAASA-N -1 0 391.420 3.232 50 0 GGAARM CC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC000004866154 206563942 /nfs/dbraw/zinc/56/39/42/206563942.db2.gz GZVYHDKHVKVGQQ-SCLBCKFNSA-N -1 0 384.432 3.177 50 0 GGAARM N=C1NC(=O)/C(=C\c2cc(Br)cc(Br)c2[O-])S1 ZINC000005027257 206584768 /nfs/dbraw/zinc/58/47/68/206584768.db2.gz GEGZEZZILCEFHB-FARCUNLSSA-N -1 0 378.045 3.056 50 0 GGAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc(Br)c2)cc1 ZINC000005103050 206593033 /nfs/dbraw/zinc/59/30/33/206593033.db2.gz RWAQSBSEERHMSH-UHFFFAOYSA-N -1 0 384.251 3.037 50 0 GGAARM O=C([O-])c1ccc(C(=O)c2ccc3c(c2)C(=O)N(c2ccccc2O)C3=O)cc1 ZINC000005198074 206598484 /nfs/dbraw/zinc/59/84/84/206598484.db2.gz WQTUYBPZQXTYRZ-UHFFFAOYSA-N -1 0 387.347 3.122 50 0 GGAARM O=C([O-])c1cccc(N[C@@H](NC(=O)c2cccs2)C(=O)c2ccccc2)c1 ZINC000005331596 206606675 /nfs/dbraw/zinc/60/66/75/206606675.db2.gz RMVSVJCFVWSBRD-SFHVURJKSA-N -1 0 380.425 3.497 50 0 GGAARM O=S(=O)([N-]c1ncccn1)c1ccc(NC(=S)Nc2ccccc2)cc1 ZINC000005681606 206624131 /nfs/dbraw/zinc/62/41/31/206624131.db2.gz YNEPSFHKMHKVSJ-UHFFFAOYSA-N -1 0 385.474 3.086 50 0 GGAARM O=C([O-])C[C@@H]1COc2ccccc2N1S(=O)(=O)c1ccc2ccccc2c1 ZINC000006283660 206648372 /nfs/dbraw/zinc/64/83/72/206648372.db2.gz BAEMWQSCOILBCD-MRXNPFEDSA-N -1 0 383.425 3.271 50 0 GGAARM COc1ccc([N-]S(=O)(=O)c2nn(C)c3nc(C)c(Cl)c(C)c23)cc1 ZINC000006659097 206661780 /nfs/dbraw/zinc/66/17/80/206661780.db2.gz LBXPGJCZRBNQCH-UHFFFAOYSA-N -1 0 380.857 3.048 50 0 GGAARM O=C([O-])[C@@H](NC(=O)Cn1ccc2cc(Br)ccc21)c1ccccc1 ZINC000036569645 206799591 /nfs/dbraw/zinc/79/95/91/206799591.db2.gz JDWJDCLCLMBDPQ-KRWDZBQOSA-N -1 0 387.233 3.346 50 0 GGAARM Cc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@H](c2ccc3nccnc3c2)C1 ZINC000012407853 206892980 /nfs/dbraw/zinc/89/29/80/206892980.db2.gz KMIDOMHTIMVALS-FQEVSTJZSA-N -1 0 388.427 3.481 50 0 GGAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000013320396 206973954 /nfs/dbraw/zinc/97/39/54/206973954.db2.gz HKOBFZHYQZVGBZ-FUICEZJUSA-N -1 0 384.476 3.388 50 0 GGAARM O=C(NCc1cccnc1)c1ccccc1[N-]S(=O)(=O)Cc1ccc(F)cc1 ZINC000013997892 207008473 /nfs/dbraw/zinc/00/84/73/207008473.db2.gz WPENEZGUOLMYLN-UHFFFAOYSA-N -1 0 399.447 3.093 50 0 GGAARM COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OCC(=O)[O-] ZINC000015010504 207040073 /nfs/dbraw/zinc/04/00/73/207040073.db2.gz LOQAYIKMCGTLQF-YVLHZVERSA-N -1 0 399.424 3.395 50 0 GGAARM COc1ccc(-c2noc(CCCC(=O)Nc3ccccc3C(=O)[O-])n2)cc1 ZINC000015669617 207053224 /nfs/dbraw/zinc/05/32/24/207053224.db2.gz NXEYBRCQLIQIIY-UHFFFAOYSA-N -1 0 381.388 3.405 50 0 GGAARM COc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)cc3)[n-]c2=O)cc1 ZINC000016777007 207078130 /nfs/dbraw/zinc/07/81/30/207078130.db2.gz UISBSCBXUJIXED-UHFFFAOYSA-N -1 0 396.472 3.216 50 0 GGAARM CC[C@H](C)C1C(=O)N=C(SCC(=O)Nc2nc3ccccc3s2)N=C1[O-] ZINC000016662336 207075506 /nfs/dbraw/zinc/07/55/06/207075506.db2.gz RRRLHEAWNCHEAJ-VIFPVBQESA-N -1 0 390.490 3.330 50 0 GGAARM NC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCc1ccccc1-2 ZINC000017081481 207084813 /nfs/dbraw/zinc/08/48/13/207084813.db2.gz FSCOARKBWGDKAX-UONOGXRCSA-N -1 0 398.484 3.442 50 0 GGAARM CCCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)cc1OC ZINC000017185550 207086770 /nfs/dbraw/zinc/08/67/70/207086770.db2.gz CLYPWGGKFIYJHU-GDNBJRDFSA-N -1 0 379.434 3.385 50 0 GGAARM COc1ccc(NC(=O)CSc2nnc(Cc3ccc(C)cc3)c(=O)[n-]2)cc1 ZINC000016806830 207078933 /nfs/dbraw/zinc/07/89/33/207078933.db2.gz KODDLFXYNGKUOG-UHFFFAOYSA-N -1 0 396.472 3.216 50 0 GGAARM CCC(Nc1cccc(F)c1)=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000016956052 207079825 /nfs/dbraw/zinc/07/98/25/207079825.db2.gz QRKUNTCVHAKKMC-WUKNDPDISA-N -1 0 383.379 3.193 50 0 GGAARM O=C([O-])CCCC(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCCC2 ZINC000017077416 207081845 /nfs/dbraw/zinc/08/18/45/207081845.db2.gz JQEJBDLCODWWCX-UHFFFAOYSA-N -1 0 378.494 3.493 50 0 GGAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1sccc1C(=O)NCc1ccco1 ZINC000017076958 207081895 /nfs/dbraw/zinc/08/18/95/207081895.db2.gz NLFDSFQULPVLGO-QWHCGFSZSA-N -1 0 376.434 3.101 50 0 GGAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1sccc1C(=O)NCc1ccco1 ZINC000017076961 207082274 /nfs/dbraw/zinc/08/22/74/207082274.db2.gz NLFDSFQULPVLGO-OLZOCXBDSA-N -1 0 376.434 3.101 50 0 GGAARM C[C@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CC1)CC[C@H](C)C2 ZINC000017077429 207082643 /nfs/dbraw/zinc/08/26/43/207082643.db2.gz QBRSFWUEENTNLE-QWRGUYRKSA-N -1 0 378.494 3.205 50 0 GGAARM COc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)c(OC)c1 ZINC000017079110 207083851 /nfs/dbraw/zinc/08/38/51/207083851.db2.gz QELXUXKLNGYIRC-UHFFFAOYSA-N -1 0 387.461 3.307 50 0 GGAARM NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000017078455 207083899 /nfs/dbraw/zinc/08/38/99/207083899.db2.gz RYQCKDJRVXFCPB-GJZGRUSLSA-N -1 0 384.457 3.043 50 0 GGAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)Nc1sccc1C(=O)NC1CCCC1 ZINC000017079669 207084178 /nfs/dbraw/zinc/08/41/78/207084178.db2.gz UPASAQBCVPZHFN-DCNYZXSGSA-N -1 0 390.505 3.496 50 0 GGAARM NC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCc1ccccc1-2 ZINC000017081019 207084625 /nfs/dbraw/zinc/08/46/25/207084625.db2.gz BNIADBZZTPKISR-ZIAGYGMSSA-N -1 0 396.468 3.218 50 0 GGAARM COC(=O)c1ccsc1NC(=O)c1ccsc1NC(=O)CCCC(=O)[O-] ZINC000017081000 207084690 /nfs/dbraw/zinc/08/46/90/207084690.db2.gz LKBMHCVQYXLOOR-UHFFFAOYSA-N -1 0 396.446 3.042 50 0 GGAARM Cc1ccc(SCc2cc(=O)c3c([n-]n(-c4nc(C)cc(C)n4)c3=O)[nH]2)cc1 ZINC000018029746 207091990 /nfs/dbraw/zinc/09/19/90/207091990.db2.gz KHQBRUHJURFMPJ-UHFFFAOYSA-N -1 0 393.472 3.015 50 0 GGAARM Cc1ccccc1-n1c(=O)[nH]c([O-])c(Cc2c(Cl)cccc2Cl)c1=O ZINC000018220051 207096658 /nfs/dbraw/zinc/09/66/58/207096658.db2.gz BITOFCODWBHKHG-UHFFFAOYSA-N -1 0 377.227 3.437 50 0 GGAARM O=C([O-])COCCN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000019364230 207117996 /nfs/dbraw/zinc/11/79/96/207117996.db2.gz ZKLPARSLTMPFCP-OAQYLSRUSA-N -1 0 388.895 3.148 50 0 fda GGAARM O=C([O-])COCCN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000019364229 207118217 /nfs/dbraw/zinc/11/82/17/207118217.db2.gz ZKLPARSLTMPFCP-NRFANRHFSA-N -1 0 388.895 3.148 50 0 fda GGAARM COc1ccc(C([O-])=CS(=O)(=O)c2ccc(Br)cc2)cc1OC ZINC000019852027 207165804 /nfs/dbraw/zinc/16/58/04/207165804.db2.gz KOWZKMQKMQYGCL-UHFFFAOYSA-N -1 0 399.262 3.123 50 0 GGAARM O=C([O-])c1ccc(-n2nnnc2SCC(=O)c2cc3ccccc3o2)cc1 ZINC000019854627 207165898 /nfs/dbraw/zinc/16/58/98/207165898.db2.gz ZNYZBKRGBMJCTL-UHFFFAOYSA-N -1 0 380.385 3.082 50 0 GGAARM CC(=O)NC([N-]c1ccc(Br)cn1)(C(F)(F)F)C(F)(F)F ZINC000019944200 207172637 /nfs/dbraw/zinc/17/26/37/207172637.db2.gz NIJKDGIWOKKMOQ-UHFFFAOYSA-N -1 0 380.086 3.213 50 0 GGAARM COc1ccccc1-c1nc(CC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cs1 ZINC000020715581 207210654 /nfs/dbraw/zinc/21/06/54/207210654.db2.gz YYNJNCLHDWILMG-GOSISDBHSA-N -1 0 382.441 3.303 50 0 GGAARM COc1cccc(-c2nc(CC(=O)NCc3ccc(C(=O)[O-])cc3)cs2)c1 ZINC000020728700 207211751 /nfs/dbraw/zinc/21/17/51/207211751.db2.gz MVMDDJFTSCABHY-UHFFFAOYSA-N -1 0 382.441 3.376 50 0 GGAARM O=C([O-])CCCNC(=O)Cc1csc(-c2ccc(OC(F)(F)F)cc2)n1 ZINC000020731222 207212528 /nfs/dbraw/zinc/21/25/28/207212528.db2.gz AMVPBOWEFXHYEH-UHFFFAOYSA-N -1 0 388.367 3.232 50 0 GGAARM COc1cccc(-c2nc(CC(=O)NCc3cccc(C(=O)[O-])c3)cs2)c1 ZINC000020744805 207213449 /nfs/dbraw/zinc/21/34/49/207213449.db2.gz GNLHMCQDEMPRJL-UHFFFAOYSA-N -1 0 382.441 3.376 50 0 GGAARM Cc1c(OCC(F)(F)F)ccnc1CS(=O)(=O)c1nc2ccccc2[n-]1 ZINC000021981235 207244613 /nfs/dbraw/zinc/24/46/13/207244613.db2.gz TVMJMCGRSSSSDJ-UHFFFAOYSA-N -1 0 385.367 3.181 50 0 endogenous,world GGAARM COc1cc(/C=C2/SC(=N)NC2=O)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000023128358 207270559 /nfs/dbraw/zinc/27/05/59/207270559.db2.gz SJYNNDXWLSOEHA-CXUHLZMHSA-N -1 0 384.413 3.111 50 0 GGAARM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1C ZINC000023680304 207280965 /nfs/dbraw/zinc/28/09/65/207280965.db2.gz NNPMPMOFWUNNHT-UHFFFAOYSA-N -1 0 396.472 3.075 50 0 GGAARM Cc1c2ccccc2oc(=O)c1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000038678879 207314520 /nfs/dbraw/zinc/31/45/20/207314520.db2.gz GXTAWOZSLMFPTE-KRWDZBQOSA-N -1 0 390.395 3.008 50 0 GGAARM O=C([O-])[C@@H](NC(=O)Cn1ccc2ccc(Br)cc21)c1ccccc1 ZINC000030819447 207374855 /nfs/dbraw/zinc/37/48/55/207374855.db2.gz ZCLHEYOVYRGWFS-KRWDZBQOSA-N -1 0 387.233 3.346 50 0 GGAARM COc1ccccc1-c1nc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cs1 ZINC000032100574 207392067 /nfs/dbraw/zinc/39/20/67/207392067.db2.gz HSDKJHHHNHDKDS-KRWDZBQOSA-N -1 0 396.468 3.173 50 0 GGAARM O=C([O-])C1CCN(C(=O)CCn2ccc3cc(Br)ccc32)CC1 ZINC000032102416 207392195 /nfs/dbraw/zinc/39/21/95/207392195.db2.gz PUXCWFMFDBLFIJ-UHFFFAOYSA-N -1 0 379.254 3.117 50 0 GGAARM CCc1ccc([N-]S(=O)(=O)c2c[nH]c3cc4cc(OC)c(OC)cc4n32)cc1 ZINC000032611949 207398832 /nfs/dbraw/zinc/39/88/32/207398832.db2.gz QIXXRFSHBNHNGU-UHFFFAOYSA-N -1 0 399.472 3.157 50 0 GGAARM CN1C2=C(C(=O)N(c3ccc(C(=O)[O-])cc3)C2)[C@@H](c2ccc(Cl)cc2)NC1=O ZINC000035327555 207485154 /nfs/dbraw/zinc/48/51/54/207485154.db2.gz ZQWCUXPCIXKLPX-QGZVFWFLSA-N -1 0 397.818 3.035 50 0 GGAARM O=C([O-])C1CCN(C(=O)CCn2ccc3c2cccc3Br)CC1 ZINC000040283296 207593230 /nfs/dbraw/zinc/59/32/30/207593230.db2.gz AJSGDCGMTVSABQ-UHFFFAOYSA-N -1 0 379.254 3.117 50 0 GGAARM CSCC[C@H](NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1)C(=O)[O-] ZINC000041155333 207621144 /nfs/dbraw/zinc/62/11/44/207621144.db2.gz VLDKYKWDECXXKM-ZDUSSCGKSA-N -1 0 397.884 3.035 50 0 GGAARM Cn1c2ccsc2c([O-])c(C(=O)Nc2ccc(Br)cc2F)c1=O ZINC000049409458 207708896 /nfs/dbraw/zinc/70/88/96/207708896.db2.gz LKPFVMKTEPCNLK-UHFFFAOYSA-N -1 0 397.225 3.460 50 0 GGAARM Cc1cccc2[nH]c([C@H]3CCCN3C(=O)c3ccccc3NCC(=O)[O-])nc21 ZINC000055414508 207741436 /nfs/dbraw/zinc/74/14/36/207741436.db2.gz SBUUGSMBYCBLBK-QGZVFWFLSA-N -1 0 378.432 3.345 50 0 GGAARM O=C([O-])c1ccc2c(c1)S[C@H](CC(=O)Nc1cc(F)c(F)c(F)c1)C(=O)N2 ZINC000061718579 207788201 /nfs/dbraw/zinc/78/82/01/207788201.db2.gz JSNYVUPOMZVVSK-CYBMUJFWSA-N -1 0 396.346 3.244 50 0 GGAARM COc1ccc(-c2c3c(sc2C(=O)[O-])[C@@H](c2cnn(C)c2)CC(=O)N3)cc1 ZINC000061718002 207789516 /nfs/dbraw/zinc/78/95/16/207789516.db2.gz FNURVMSMWAKMBM-CYBMUJFWSA-N -1 0 383.429 3.330 50 0 GGAARM CC(=O)Nc1ccc(NC(=O)C[C@@H]2Sc3cc(C(=O)[O-])ccc3NC2=O)cc1 ZINC000061718343 207789543 /nfs/dbraw/zinc/78/95/43/207789543.db2.gz OXLLRWWGYGITQZ-INIZCTEOSA-N -1 0 399.428 3.434 50 0 GGAARM Cc1cccnc1C(=O)N1CCC(Oc2ccc3ncccc3c2)(C(=O)[O-])CC1 ZINC000065436035 207869027 /nfs/dbraw/zinc/86/90/27/207869027.db2.gz WIYGVFVPMRTLSG-UHFFFAOYSA-N -1 0 391.427 3.077 50 0 GGAARM Cc1ccoc1C(=O)N1CCC(Oc2ccc3ncccc3c2)(C(=O)[O-])CC1 ZINC000065455159 207871381 /nfs/dbraw/zinc/87/13/81/207871381.db2.gz HDORGICMUUZBIQ-UHFFFAOYSA-N -1 0 380.400 3.275 50 0 GGAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@@H](C(F)(F)F)CC(=O)N3)c(OC)c1 ZINC000066089457 207879468 /nfs/dbraw/zinc/87/94/68/207879468.db2.gz HHPVZKQORMJOHP-JTQLQIEISA-N -1 0 384.310 3.181 50 0 GGAARM Cc1occc1C(=O)N1CCc2c(c(C(=O)[O-])nn2CCCc2ccccc2)C1 ZINC000067771594 207907738 /nfs/dbraw/zinc/90/77/38/207907738.db2.gz IYZLDFMDUWQCTB-UHFFFAOYSA-N -1 0 393.443 3.314 50 0 GGAARM COC[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(CCC(=O)[O-])cc3)nc2)C1 ZINC000067834474 207912026 /nfs/dbraw/zinc/91/20/26/207912026.db2.gz ZEJICFMVOOIXAG-QGZVFWFLSA-N -1 0 382.460 3.264 50 0 GGAARM Cn1nc(C(=O)[O-])c2c1CCN(C(=O)c1ccccc1-c1ccccc1F)C2 ZINC000067974463 207920018 /nfs/dbraw/zinc/92/00/18/207920018.db2.gz GLINIOQOTHSSFA-UHFFFAOYSA-N -1 0 379.391 3.123 50 0 GGAARM CCCn1ncc(C(=O)N2CCC[C@@](Cc3ccc(F)cc3)(C(=O)[O-])C2)c1C ZINC000071747576 207948323 /nfs/dbraw/zinc/94/83/23/207948323.db2.gz VQQWPHUHPCACLY-NRFANRHFSA-N -1 0 387.455 3.290 50 0 GGAARM COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C ZINC000071285186 207934965 /nfs/dbraw/zinc/93/49/65/207934965.db2.gz ZNGSVQWWEJIXPX-DLBZAZTESA-N -1 0 382.416 3.243 50 0 GGAARM Cc1ccsc1-c1cc(C(=O)[O-])cc(S(=O)(=O)NCc2ccccn2)c1 ZINC000071754726 207952003 /nfs/dbraw/zinc/95/20/03/207952003.db2.gz SHPCYUCGDBVBFH-UHFFFAOYSA-N -1 0 388.470 3.295 50 0 GGAARM CO[C@H](C)c1cccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)NC(C)C)c2)c1 ZINC000072132932 207977150 /nfs/dbraw/zinc/97/71/50/207977150.db2.gz JKLWBJURVLKHPL-CYBMUJFWSA-N -1 0 377.462 3.446 50 0 GGAARM COc1cccc(-c2n[nH]cc2C(=O)N2CC[C@H](c3ccccc3C(=O)[O-])C2)c1 ZINC000072134448 207977787 /nfs/dbraw/zinc/97/77/87/207977787.db2.gz RQJTZCDKFPHUET-HNNXBMFYSA-N -1 0 391.427 3.413 50 0 GGAARM Cc1cccc([C@@H]2CCCN(C(=O)c3ccc(N4CC(=O)N=C4[O-])cc3)C2)c1 ZINC000077565192 208048883 /nfs/dbraw/zinc/04/88/83/208048883.db2.gz ULJSEHVJCLXVFH-GOSISDBHSA-N -1 0 377.444 3.071 50 0 GGAARM O=C([O-])c1nccnc1C(=O)Nc1cc(-c2ccc(-c3ccccc3)cc2)[nH]n1 ZINC000072401577 208014670 /nfs/dbraw/zinc/01/46/70/208014670.db2.gz GOUBIBCFZJYOJP-UHFFFAOYSA-N -1 0 385.383 3.484 50 0 GGAARM COc1cc(OC)c([N-]S(=O)(=O)CCOc2ccc(C)cc2)cc1Cl ZINC000072411033 208019728 /nfs/dbraw/zinc/01/97/28/208019728.db2.gz ZMJZJBHWHSKOND-UHFFFAOYSA-N -1 0 385.869 3.486 50 0 GGAARM CC(C)(C)CN1CCC[C@]2(CCN(c3nc4c(cc3C(=O)[O-])CCC4)C2)C1=O ZINC000072448065 208027116 /nfs/dbraw/zinc/02/71/16/208027116.db2.gz YBIRHVQFZIJKBU-JOCHJYFZSA-N -1 0 385.508 3.134 50 0 GGAARM Cc1ccc(C(=O)Nc2ccc3c(c2)C([O-])=Nc2cccnc2O3)c(=O)n1C ZINC000079485455 208075174 /nfs/dbraw/zinc/07/51/74/208075174.db2.gz BMNUTJASQBEYBV-UHFFFAOYSA-N -1 0 376.372 3.083 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)CCn2ccc3ccc(Cl)cc32)sc1C ZINC000079492486 208075327 /nfs/dbraw/zinc/07/53/27/208075327.db2.gz XDEBAIVDIYDRKF-UHFFFAOYSA-N -1 0 377.853 3.297 50 0 GGAARM COc1cccc([C@@H]2CN(C(=O)c3ccc(C)s3)C[C@H]2C(=O)[O-])c1OC ZINC000091781455 208138472 /nfs/dbraw/zinc/13/84/72/208138472.db2.gz SUOFRXCWLZYUOH-UONOGXRCSA-N -1 0 375.446 3.014 50 0 GGAARM Cn1cc(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)c(=O)c2ccccc21 ZINC000095354609 208159080 /nfs/dbraw/zinc/15/90/80/208159080.db2.gz FHZBNHSWMZJOFF-KRWDZBQOSA-N -1 0 390.439 3.257 50 0 GGAARM Cn1cc(C(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)c(=O)c2ccccc21 ZINC000095354610 208159138 /nfs/dbraw/zinc/15/91/38/208159138.db2.gz FHZBNHSWMZJOFF-QGZVFWFLSA-N -1 0 390.439 3.257 50 0 GGAARM O=C([O-])c1cccc(C[C@@H]2CCN(C(=O)c3ccc(-n4cccn4)cc3)C2)c1 ZINC000095359413 208160054 /nfs/dbraw/zinc/16/00/54/208160054.db2.gz WWYVGLKJVSNADR-KRWDZBQOSA-N -1 0 375.428 3.275 50 0 GGAARM CCn1c(C)cc(C)c(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)c1=O ZINC000095359215 208160097 /nfs/dbraw/zinc/16/00/97/208160097.db2.gz KNVIXRKYCWVPJZ-GOSISDBHSA-N -1 0 382.460 3.203 50 0 GGAARM Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095358625 208160601 /nfs/dbraw/zinc/16/06/01/208160601.db2.gz IRWWQXUGWGNYKB-SFHVURJKSA-N -1 0 392.459 3.373 50 0 GGAARM COc1ccc(CC(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)c(OC)c1 ZINC000095362126 208161077 /nfs/dbraw/zinc/16/10/77/208161077.db2.gz WSGKONLENWTDPM-SFHVURJKSA-N -1 0 383.444 3.351 50 0 GGAARM Cc1cc(C)n2ncc(C(=O)N3CCC[C@@H](c4ccc(C(=O)[O-])cc4)C3)c2n1 ZINC000095363555 208163140 /nfs/dbraw/zinc/16/31/40/208163140.db2.gz PAGDXTKYIFLJOE-QGZVFWFLSA-N -1 0 378.432 3.064 50 0 GGAARM CC(=O)c1c(C)nn(CCC(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)c1C ZINC000095372057 208166149 /nfs/dbraw/zinc/16/61/49/208166149.db2.gz VSYNBDULSNNQAW-IBGZPJMESA-N -1 0 397.475 3.197 50 0 GGAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CN3CCc4ccccc4C3)C2)cc1 ZINC000095368193 208166907 /nfs/dbraw/zinc/16/69/07/208166907.db2.gz YRXNPNSDTFBMBI-OAQYLSRUSA-N -1 0 378.472 3.149 50 0 GGAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)CN3CCc4ccccc4C3)C2)c1 ZINC000095376389 208168446 /nfs/dbraw/zinc/16/84/46/208168446.db2.gz IRDYJUBZGUCWTF-NRFANRHFSA-N -1 0 378.472 3.149 50 0 GGAARM CC(C)Cc1cc(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)[nH]c(=O)n1 ZINC000095378179 208170584 /nfs/dbraw/zinc/17/05/84/208170584.db2.gz VNPXGTZFHACPKH-MRXNPFEDSA-N -1 0 383.448 3.099 50 0 GGAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)CCc3ccc4c(c3)OCO4)C2)c1 ZINC000095382009 208171414 /nfs/dbraw/zinc/17/14/14/208171414.db2.gz IHMBUZNAQYQDJU-SFHVURJKSA-N -1 0 381.428 3.452 50 0 GGAARM Cc1nc2ccccn2c1CC(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095352541 208157113 /nfs/dbraw/zinc/15/71/13/208157113.db2.gz PQZPHLFHJKHFJX-GOSISDBHSA-N -1 0 377.444 3.290 50 0 GGAARM COc1ccc(CC(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)cc1OC ZINC000095391979 208179476 /nfs/dbraw/zinc/17/94/76/208179476.db2.gz FWHITEAVNXLZIC-SFHVURJKSA-N -1 0 383.444 3.351 50 0 GGAARM CC(C)c1sc(=NC(=O)CCC(=O)NC2CCCCCCC2)[nH]c1C(=O)[O-] ZINC000095472967 208189808 /nfs/dbraw/zinc/18/98/08/208189808.db2.gz UNFPETUDMGSPCJ-UHFFFAOYSA-N -1 0 395.525 3.334 50 0 GGAARM CCOc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)[O-])CC2=O)cc1 ZINC000095471848 208190507 /nfs/dbraw/zinc/19/05/07/208190507.db2.gz WTVLQTZEEHGMAW-CQSZACIVSA-N -1 0 379.416 3.040 50 0 GGAARM CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)[O-])CC2=O)cc1 ZINC000095471849 208191246 /nfs/dbraw/zinc/19/12/46/208191246.db2.gz WTVLQTZEEHGMAW-AWEZNQCLSA-N -1 0 379.416 3.040 50 0 GGAARM Cc1nn(C)c(C)c1[C@@H]1SCC(=O)Nc2c1cnn2-c1ccc(C(=O)[O-])cc1 ZINC000095474832 208193967 /nfs/dbraw/zinc/19/39/67/208193967.db2.gz ZJNDDUVVEULFSP-QGZVFWFLSA-N -1 0 397.460 3.345 50 0 GGAARM Nc1c(C(=O)Nc2cccc(C(=O)[O-])c2)cnc2c(-c3ccc(F)cc3)cnn21 ZINC000095480031 208194745 /nfs/dbraw/zinc/19/47/45/208194745.db2.gz QMVRFEJQRCBKEO-UHFFFAOYSA-N -1 0 391.362 3.068 50 0 GGAARM C[C@@H](c1ccncc1)N(C)Cc1cc(-c2ncccn2)ccc1OCC(=O)[O-] ZINC000097463553 208355225 /nfs/dbraw/zinc/35/52/25/208355225.db2.gz YHOHXMQPJPFPAM-HNNXBMFYSA-N -1 0 378.432 3.195 50 0 GGAARM C[C@@H](c1ccncn1)N(C)Cc1cc(-c2cccnc2)ccc1OCC(=O)[O-] ZINC000097619138 208358504 /nfs/dbraw/zinc/35/85/04/208358504.db2.gz SQEWQROUONUGLB-HNNXBMFYSA-N -1 0 378.432 3.195 50 0 GGAARM CCCOC(=O)c1ccccc1NC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000100551154 208377337 /nfs/dbraw/zinc/37/73/37/208377337.db2.gz ZUSGJLWWBSVTGN-UHFFFAOYSA-N -1 0 380.400 3.063 50 0 GGAARM CC(=O)c1[n-]n(-c2cccc(Cl)c2C)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000100740969 208377633 /nfs/dbraw/zinc/37/76/33/208377633.db2.gz YWDVPLBEQHJTIH-IEBWSBKVSA-N -1 0 395.846 3.280 50 0 GGAARM CCCOC(=O)c1ccc(NC(=O)c2c([O-])c3ccccc3n(C)c2=O)cc1 ZINC000100668519 208379131 /nfs/dbraw/zinc/37/91/31/208379131.db2.gz BGWQIYOLWFGCAN-UHFFFAOYSA-N -1 0 380.400 3.063 50 0 GGAARM CC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000100892397 208383141 /nfs/dbraw/zinc/38/31/41/208383141.db2.gz TWSLCQBUOKIILH-IEBWSBKVSA-N -1 0 395.846 3.280 50 0 GGAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cc(C)ccc4C)c=3c2=O)cc1 ZINC000101167674 208386595 /nfs/dbraw/zinc/38/65/95/208386595.db2.gz WLYKRQPYXANLHV-RBUKOAKNSA-N -1 0 378.432 3.196 50 0 GGAARM O=c1c2[n-][nH]n(Cc3c(F)cccc3Cl)c=2c(=O)n1-c1ccc(F)cc1 ZINC000101167834 208386742 /nfs/dbraw/zinc/38/67/42/208386742.db2.gz QBMGMCJQUISYET-HUUCEWRRSA-N -1 0 376.750 3.112 50 0 GGAARM O=c1c2[n-][nH]n(Cc3ccc(F)cc3Cl)c=2c(=O)n1-c1ccc(F)cc1 ZINC000101167805 208387271 /nfs/dbraw/zinc/38/72/71/208387271.db2.gz FPQQRMPCYHTFSG-GJZGRUSLSA-N -1 0 376.750 3.112 50 0 GGAARM CCc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(OC)c(Cl)c4)c(=O)c2=3)cc1 ZINC000101417919 208392830 /nfs/dbraw/zinc/39/28/30/208392830.db2.gz HOXPTBQYHKVMQU-QZTJIDSGSA-N -1 0 398.850 3.404 50 0 GGAARM Cc1ccccc1-n1c(=O)[nH]c([O-])c(Cc2ccc(Cl)cc2Cl)c1=O ZINC000101448935 208393649 /nfs/dbraw/zinc/39/36/49/208393649.db2.gz FFLDYGOBLQIEFQ-UHFFFAOYSA-N -1 0 377.227 3.437 50 0 GGAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cccc(-c2cn3c(n2)SCC3)c1 ZINC000043939715 208441437 /nfs/dbraw/zinc/44/14/37/208441437.db2.gz RSYRHSHCQDCVBR-UHFFFAOYSA-N -1 0 376.463 3.061 50 0 GGAARM C[C@@]12c3[nH]c4ccccc4c3CCN1C(=O)N(c1ccc(C(=O)[O-])cc1)C2=O ZINC000004064286 208534022 /nfs/dbraw/zinc/53/40/22/208534022.db2.gz LJROTPSGSMEJCY-NRFANRHFSA-N -1 0 375.384 3.106 50 0 biogenic GGAARM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(Br)s2)c1 ZINC000000665716 208706624 /nfs/dbraw/zinc/70/66/24/208706624.db2.gz ADNJBNOJDQOYGW-UHFFFAOYSA-N -1 0 390.280 3.406 50 0 GGAARM CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855164 208856763 /nfs/dbraw/zinc/85/67/63/208856763.db2.gz SIFWHJUKXSWZJB-HNNXBMFYSA-N -1 0 392.912 3.258 50 0 GGAARM Cc1nc2sc([C@@H](c3ccco3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000023158119 208864536 /nfs/dbraw/zinc/86/45/36/208864536.db2.gz IAQYPOZVARWFMG-QGZVFWFLSA-N -1 0 395.488 3.309 50 0 GGAARM CC(C)(C)c1cc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])cc(C(C)(C)C)c1O ZINC000222487360 208876486 /nfs/dbraw/zinc/87/64/86/208876486.db2.gz BPJWCLNJPLDWBY-AWEZNQCLSA-N -1 0 377.481 3.303 50 0 GGAARM COc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(C(F)(F)F)cc4)c=3c2=O)cc1 ZINC000096298810 209014069 /nfs/dbraw/zinc/01/40/69/209014069.db2.gz DWCPIBPKWKHYPQ-GJZGRUSLSA-N -1 0 390.321 3.212 50 0 GGAARM CO[C@@](c1ccccc1)(c1ccc(F)cc1)[C@@H](Oc1nccc(C)n1)C(=O)[O-] ZINC000006320240 220928387 /nfs/dbraw/zinc/92/83/87/220928387.db2.gz MBEXHHZGFKRMCL-RXVVDRJESA-N -1 0 382.391 3.346 50 0 GGAARM CC(C)(C)OC(=O)n1nc(I)c2ccc(C(=O)[O-])cc21 ZINC000098213225 209017507 /nfs/dbraw/zinc/01/75/07/209017507.db2.gz STEXIMCBUWVLIZ-UHFFFAOYSA-N -1 0 388.161 3.122 50 0 GGAARM Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000253411965 209040129 /nfs/dbraw/zinc/04/01/29/209040129.db2.gz PLDSPANMGJZYSP-SFHVURJKSA-N -1 0 397.862 3.393 50 0 GGAARM O=C(c1ccccc1[N-]S(=O)(=O)Cc1ccccc1F)N1CCCCC1 ZINC000016579578 221366398 /nfs/dbraw/zinc/36/63/98/221366398.db2.gz GBYUMKNUROHJMM-UHFFFAOYSA-N -1 0 376.453 3.394 50 0 GGAARM COCCC1(C(=O)[O-])CCN(c2cc(C(C)C)nc(C(F)(F)F)n2)CC1 ZINC000071736129 136165984 /nfs/dbraw/zinc/16/59/84/136165984.db2.gz IBSWTXFYFPAUAV-UHFFFAOYSA-N -1 0 375.391 3.327 50 0 GGAARM Cc1ccc(C(=O)[O-])c(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)n1 ZINC000095515212 136180965 /nfs/dbraw/zinc/18/09/65/136180965.db2.gz AXORCUSRBFSZCH-QGZVFWFLSA-N -1 0 377.448 3.112 50 0 GGAARM Cc1ccc(C(=O)[O-])c(N2CCC[C@@H](c3nccn3Cc3cscn3)C2)n1 ZINC000095521487 136181195 /nfs/dbraw/zinc/18/11/95/136181195.db2.gz WBMUYBZWMPPWGL-CQSZACIVSA-N -1 0 383.477 3.174 50 0 GGAARM C[C@H](Nc1ncc(C(C)(C)C(=O)[O-])c(N2CCOCC2)n1)C1CCCCC1 ZINC000096163350 136184863 /nfs/dbraw/zinc/18/48/63/136184863.db2.gz IXXZFFAVDVLZTH-AWEZNQCLSA-N -1 0 376.501 3.056 50 0 GGAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCCCC[C@H]32)C(=O)N1c1ccccc1 ZINC000247939364 136192940 /nfs/dbraw/zinc/19/29/40/136192940.db2.gz OYGSHAXVUFVUJJ-CVDCTZTESA-N -1 0 389.455 3.261 50 0 GGAARM O=c1c2cc(N3CCOCC3)ccc2[n-]c(=S)n1Cc1ccc(Cl)cc1 ZINC000002976001 136193559 /nfs/dbraw/zinc/19/35/59/136193559.db2.gz OMVBRPANJTYVJZ-UHFFFAOYSA-N -1 0 387.892 3.224 50 0 GGAARM O=c1c2ccccc2[n-]c(=S)n1CCCN1CCN(c2ccccc2F)CC1 ZINC000004792423 136194045 /nfs/dbraw/zinc/19/40/45/136194045.db2.gz NMWGRHXBVJMAHX-UHFFFAOYSA-N -1 0 398.507 3.410 50 0 GGAARM C[C@@H]1Oc2ccc(Br)cc2N(Cc2ccc(C(=O)[O-])cc2)C1=O ZINC000215852775 136203034 /nfs/dbraw/zinc/20/30/34/136203034.db2.gz HCMJQXZIKBNZMO-JTQLQIEISA-N -1 0 376.206 3.461 50 0 GGAARM C[C@H]1Oc2ccc(Br)cc2N(Cc2ccc(C(=O)[O-])cc2)C1=O ZINC000215852816 136203077 /nfs/dbraw/zinc/20/30/77/136203077.db2.gz HCMJQXZIKBNZMO-SNVBAGLBSA-N -1 0 376.206 3.461 50 0 GGAARM [O-]c1c([C@@H](c2ccco2)N2CCN(c3ccccc3)CC2)sc2ncnn12 ZINC000022610098 136204222 /nfs/dbraw/zinc/20/42/22/136204222.db2.gz LNMFNEUHDDXLHP-MRXNPFEDSA-N -1 0 381.461 3.001 50 0 GGAARM CC(C)(C)OC(=O)N1CCC(CC(=O)[O-])(NC(=O)OCc2ccccc2)CC1 ZINC000095802877 222361208 /nfs/dbraw/zinc/36/12/08/222361208.db2.gz ZHXAPZVMAFQXHF-UHFFFAOYSA-N -1 0 392.452 3.157 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)c2cc(-c3cccs3)nn2C)sc1C(C)C ZINC000079495399 524019869 /nfs/dbraw/zinc/01/98/69/524019869.db2.gz FBLYIDLFEHIJFE-UHFFFAOYSA-N -1 0 390.490 3.189 50 0 GGAARM Cc1cc(O[C@H](C)C(=O)NCCCCCC(=O)[O-])c2c(C)c(C)c(=O)oc2c1 ZINC000002153428 525382304 /nfs/dbraw/zinc/38/23/04/525382304.db2.gz PDSVDASCOOWDRM-OAHLLOKOSA-N -1 0 389.448 3.247 50 0 biogenic GGAARM CC[C@@H](C(=O)NC(C)(C)c1n[n-]c(=N)s1)n1cc(C(C)=O)c2ccccc21 ZINC000426387633 529280926 /nfs/dbraw/zinc/28/09/26/529280926.db2.gz KSZMKJQNIRGDKC-AWEZNQCLSA-N -1 0 385.493 3.111 50 0 GGAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2CC ZINC000008962380 535711787 /nfs/dbraw/zinc/71/17/87/535711787.db2.gz JYLIOSPPAXZHBZ-UHFFFAOYSA-N -1 0 388.489 3.494 50 0 GGAARM COc1ccccc1OC1(C(=O)[O-])CCN(c2cnc3ccccc3n2)CC1 ZINC000082162073 537087693 /nfs/dbraw/zinc/08/76/93/537087693.db2.gz MJPCWQPJDGRQRE-UHFFFAOYSA-N -1 0 379.416 3.141 50 0 GGAARM Cc1cc(C)n(-c2cc(C)nc([N-]S(=O)(=O)c3ccccc3Cl)n2)n1 ZINC000000754037 564180272 /nfs/dbraw/zinc/18/02/72/564180272.db2.gz MFCURADKGSBPJV-UHFFFAOYSA-N -1 0 377.857 3.042 50 0 GGAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000000755567 564180318 /nfs/dbraw/zinc/18/03/18/564180318.db2.gz WCBLOALPKIHGQH-UHFFFAOYSA-N -1 0 384.251 3.427 50 0 GGAARM O=C(COc1cccc2ccccc21)[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000001050408 564182142 /nfs/dbraw/zinc/18/21/42/564182142.db2.gz CGOFQKAITITIGH-UHFFFAOYSA-N -1 0 375.833 3.377 50 0 GGAARM COc1ccc(C([O-])=CS(=O)(=O)c2ccc(C)cc2)cc1Br ZINC000001117114 564183320 /nfs/dbraw/zinc/18/33/20/564183320.db2.gz YLONSCQSCCKTOT-UHFFFAOYSA-N -1 0 383.263 3.423 50 0 GGAARM Cc1c(NC(=S)NC(=O)COc2ccccc2Cl)cccc1C(=O)[O-] ZINC000001130175 564183391 /nfs/dbraw/zinc/18/33/91/564183391.db2.gz VEQOKIBNWJMOSV-UHFFFAOYSA-N -1 0 378.837 3.239 50 0 GGAARM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)s2)c1C ZINC000001143982 564183567 /nfs/dbraw/zinc/18/35/67/564183567.db2.gz VOCHBNVTYZVXBR-UHFFFAOYSA-N -1 0 390.280 3.406 50 0 GGAARM COc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1OC ZINC000001119624 564183804 /nfs/dbraw/zinc/18/38/04/564183804.db2.gz NIKCFAKJZUPTHQ-UHFFFAOYSA-N -1 0 378.269 3.329 50 0 GGAARM Cc1c(NC(=S)NC(=O)COc2ccc(Cl)cc2)cccc1C(=O)[O-] ZINC000001159559 564184781 /nfs/dbraw/zinc/18/47/81/564184781.db2.gz HFUCLVCTSKCQKA-UHFFFAOYSA-N -1 0 378.837 3.239 50 0 GGAARM O=C([O-])C[C@@]12CSc3[nH]c(=O)sc3[C@H]1c1cc(Cl)ccc1OC2=O ZINC000002493319 564187657 /nfs/dbraw/zinc/18/76/57/564187657.db2.gz CMSUIVMSFVOWNX-MEBBXXQBSA-N -1 0 383.834 3.120 50 0 GGAARM O=S(=O)([N-]c1ncn(Cc2ccccc2Cl)n1)c1ccc(Cl)cc1 ZINC000002777866 564190620 /nfs/dbraw/zinc/19/06/20/564190620.db2.gz HMZZSCSGMJNPQY-UHFFFAOYSA-N -1 0 383.260 3.434 50 0 GGAARM O=C([O-])COc1ccc(-c2nnn(Cc3ccc(Cl)cc3Cl)n2)cc1 ZINC000002872215 564191699 /nfs/dbraw/zinc/19/16/99/564191699.db2.gz HIERQTABCPCOFH-UHFFFAOYSA-N -1 0 379.203 3.159 50 0 GGAARM CCCCNC(=O)CCCn1c(=O)c2cc(Br)ccc2[n-]c1=S ZINC000002973724 564192722 /nfs/dbraw/zinc/19/27/22/564192722.db2.gz UVYADXLZCDTADV-UHFFFAOYSA-N -1 0 398.326 3.144 50 0 GGAARM CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000004241762 564201124 /nfs/dbraw/zinc/20/11/24/564201124.db2.gz UDCVKKOJQFQQIJ-AWEZNQCLSA-N -1 0 399.285 3.128 50 0 GGAARM CCOC(=O)N[C@]([N-]c1nc(C2CC2)cs1)(C(=O)OCC)C(F)(F)F ZINC000004558400 564204302 /nfs/dbraw/zinc/20/43/02/564204302.db2.gz ADSCMZREABQCEW-CYBMUJFWSA-N -1 0 381.376 3.000 50 0 GGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)s3)cc2)no1 ZINC000004750010 564206108 /nfs/dbraw/zinc/20/61/08/564206108.db2.gz QOLLJYJXMZIYEX-UHFFFAOYSA-N -1 0 377.447 3.406 50 0 GGAARM COc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])cc1OC ZINC000004819889 564207204 /nfs/dbraw/zinc/20/72/04/564207204.db2.gz PHKVQZHECMFPDW-UHFFFAOYSA-N -1 0 380.194 3.417 50 0 GGAARM COc1ccc(CC(=O)Nc2ccc(Br)cc2C(=O)[O-])cc1OC ZINC000004819651 564207625 /nfs/dbraw/zinc/20/76/25/564207625.db2.gz ZOMNFKNGEVFXSF-UHFFFAOYSA-N -1 0 394.221 3.346 50 0 GGAARM O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)Nc1cccc(Cl)c1 ZINC000004853637 564208705 /nfs/dbraw/zinc/20/87/05/564208705.db2.gz MOHNVTZQMUAGNT-UHFFFAOYSA-N -1 0 399.856 3.321 50 0 GGAARM O=C([O-])/C(=C\c1ccccc1)NC(=O)c1ccccc1I ZINC000005061382 564211526 /nfs/dbraw/zinc/21/15/26/564211526.db2.gz VSMPXKQYJTZCHV-GXDHUFHOSA-N -1 0 393.180 3.147 50 0 GGAARM COc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1N1CCCC1=O ZINC000005329682 564215789 /nfs/dbraw/zinc/21/57/89/564215789.db2.gz SSQVVJSHERHTJI-UHFFFAOYSA-N -1 0 380.853 3.276 50 0 GGAARM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2cc(Cl)ccc2O1 ZINC000005763569 564218720 /nfs/dbraw/zinc/21/87/20/564218720.db2.gz UDSPQMHSLVUDLL-AWEZNQCLSA-N -1 0 388.228 3.034 50 0 GGAARM O=C([O-])c1cc(N2C(=S)N=NC2c2ccc3c(c2)OCO3)ccc1Cl ZINC000006659186 564225911 /nfs/dbraw/zinc/22/59/11/564225911.db2.gz OMXKUPXCFDLPII-UHFFFAOYSA-N -1 0 375.793 3.303 50 0 GGAARM Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1C(=O)NCc1cccs1 ZINC000008977749 564251658 /nfs/dbraw/zinc/25/16/58/564251658.db2.gz AHDHUPXPJJEYRO-UHFFFAOYSA-N -1 0 393.515 3.244 50 0 GGAARM COc1ccccc1Cc1nnc([N-]S(=O)(=O)Cc2ccccc2)s1 ZINC000009096314 564252091 /nfs/dbraw/zinc/25/20/91/564252091.db2.gz LMKIBHHWNNIKEU-UHFFFAOYSA-N -1 0 375.475 3.079 50 0 GGAARM CCOC(=O)[C@@]([N-]c1nc2ccccc2s1)(NC(=O)CC)C(F)(F)F ZINC000009088197 564252106 /nfs/dbraw/zinc/25/21/06/564252106.db2.gz BPRYSYWTRQQETD-AWEZNQCLSA-N -1 0 375.372 3.056 50 0 GGAARM Cc1ccc(Cl)cc1NC(=O)CSC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000009530226 564254437 /nfs/dbraw/zinc/25/44/37/564254437.db2.gz QSFAKHBMMFTCEX-UHFFFAOYSA-N -1 0 395.893 3.491 50 0 GGAARM CCCCOc1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)ccc1Cl ZINC000011566082 564263840 /nfs/dbraw/zinc/26/38/40/564263840.db2.gz ZLIOVZAIWGHOTG-UHFFFAOYSA-N -1 0 375.874 3.004 50 0 GGAARM O=C(Nc1ccc(F)cc1)c1csc([N-]S(=O)(=O)c2cccs2)n1 ZINC000012627868 564269269 /nfs/dbraw/zinc/26/92/69/564269269.db2.gz DLTNUKPENWGZQV-UHFFFAOYSA-N -1 0 383.451 3.397 50 0 GGAARM O=C(C[C@H]1N=C(Nc2cc(Cl)cc(Cl)c2)N=C1[O-])Nc1ccccc1 ZINC000013721260 564278333 /nfs/dbraw/zinc/27/83/33/564278333.db2.gz KHIUPHFFCCCSOH-CQSZACIVSA-N -1 0 377.231 3.289 50 0 GGAARM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3C)cs2)no1 ZINC000016647883 564295226 /nfs/dbraw/zinc/29/52/26/564295226.db2.gz UOAYNKZBARTNJV-UHFFFAOYSA-N -1 0 377.447 3.406 50 0 GGAARM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)[O-] ZINC000034353164 564414290 /nfs/dbraw/zinc/41/42/90/564414290.db2.gz DYUYEAWOUQONRU-ZDUSSCGKSA-N -1 0 383.242 3.451 50 0 GGAARM O=C([O-])[C@H]1CS[C@@H](c2ccc(COc3ccc(Br)cc3)o2)N1 ZINC000036624054 564417051 /nfs/dbraw/zinc/41/70/51/564417051.db2.gz RSCFUYATJACIHZ-OCCSQVGLSA-N -1 0 384.251 3.409 50 0 GGAARM O=C([O-])[C@H]1CS[C@H](c2ccc(COc3ccc(Br)cc3)o2)N1 ZINC000036624053 564417307 /nfs/dbraw/zinc/41/73/07/564417307.db2.gz RSCFUYATJACIHZ-TZMCWYRMSA-N -1 0 384.251 3.409 50 0 GGAARM O=C([O-])CSc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 ZINC000036724665 564418273 /nfs/dbraw/zinc/41/82/73/564418273.db2.gz FHOIJKNOCRJMHY-UHFFFAOYSA-N -1 0 391.250 3.269 50 0 GGAARM O=C([O-])[C@H](Cc1cccc(Br)c1)NC(=O)OCc1ccccc1 ZINC000039957001 564425248 /nfs/dbraw/zinc/42/52/48/564425248.db2.gz ALUNPGPCGVZHIV-HNNXBMFYSA-N -1 0 378.222 3.371 50 0 GGAARM CSCC[C@H](NC(=O)CCn1ccc2c1cccc2Br)C(=O)[O-] ZINC000040309203 564426759 /nfs/dbraw/zinc/42/67/59/564426759.db2.gz PALYYKRTVVWMSO-ZDUSSCGKSA-N -1 0 399.310 3.116 50 0 biogenic GGAARM O=C([O-])CCCNC(=O)c1nc(SCc2ccc(F)cc2)ncc1Cl ZINC000041154675 564430180 /nfs/dbraw/zinc/43/01/80/564430180.db2.gz LRTRTXAZYAEJPJ-UHFFFAOYSA-N -1 0 383.832 3.156 50 0 GGAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3ccno3)cs2)cc1 ZINC000044901412 564474777 /nfs/dbraw/zinc/47/47/77/564474777.db2.gz BTQISOPCUROAIN-UHFFFAOYSA-N -1 0 378.431 3.381 50 0 GGAARM CCCSc1ncc(Cl)c(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000046086349 564494426 /nfs/dbraw/zinc/49/44/26/564494426.db2.gz FAYZGQPQDOAWDK-CYBMUJFWSA-N -1 0 379.869 3.058 50 0 GGAARM Cn1c2ccsc2c([O-])c(C(=O)Nc2cccc(Br)c2)c1=O ZINC000049409490 564551211 /nfs/dbraw/zinc/55/12/11/564551211.db2.gz LMZZUHZMCZBCJL-UHFFFAOYSA-N -1 0 379.235 3.320 50 0 GGAARM O=C([O-])c1ccc2c(c1)S[C@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)N2 ZINC000061718255 564708115 /nfs/dbraw/zinc/70/81/15/564708115.db2.gz KUWPXGYPWUAJFD-CQSZACIVSA-N -1 0 376.821 3.480 50 0 GGAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1F ZINC000068740858 564825340 /nfs/dbraw/zinc/82/53/40/564825340.db2.gz ZYDPNIBOISBZSV-UHFFFAOYSA-N -1 0 388.214 3.176 50 0 GGAARM CSCC[C@@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC000207864094 565894602 /nfs/dbraw/zinc/89/46/02/565894602.db2.gz WWCPXYQNERBSHP-CYBMUJFWSA-N -1 0 384.910 3.329 50 0 GGAARM O=S(=O)([N-]Cc1ccc([C@@H](O)c2ccco2)s1)c1c(F)cccc1F ZINC000206685690 565894710 /nfs/dbraw/zinc/89/47/10/565894710.db2.gz MYGRFFAXTWVSPZ-HNNXBMFYSA-N -1 0 385.413 3.180 50 0 GGAARM O=S(=O)([N-]C[C@H](O)c1ccc(-c2ccsc2)o1)c1c(F)cccc1F ZINC000575610120 566275556 /nfs/dbraw/zinc/27/55/56/566275556.db2.gz KMUQQKAUQMLPKW-ZDUSSCGKSA-N -1 0 385.413 3.298 50 0 GGAARM Cc1cccc(SC2CCN(C(=O)N[C@@H](C)c3n[n-]c(=N)s3)CC2)c1 ZINC000584887944 567077351 /nfs/dbraw/zinc/07/73/51/567077351.db2.gz MNMPQLLOHZIQOR-LBPRGKRZSA-N -1 0 377.539 3.286 50 0 GGAARM Cc1cccc(SC2CCN(C(=O)N[C@H](C)c3n[n-]c(=N)s3)CC2)c1 ZINC000584887943 567077590 /nfs/dbraw/zinc/07/75/90/567077590.db2.gz MNMPQLLOHZIQOR-GFCCVEGCSA-N -1 0 377.539 3.286 50 0 GGAARM COc1ccccc1S(=O)(=O)[N-]c1ccc([S@@](=O)C(F)(F)F)cc1 ZINC000685939545 567312122 /nfs/dbraw/zinc/31/21/22/567312122.db2.gz LGFJCESTPKRYEM-HSZRJFAPSA-N -1 0 379.381 3.123 50 0 GGAARM Cc1nc2sc([C@H](c3ccccc3F)N3C[C@@H](C)O[C@H](C)C3)c([O-])n2n1 ZINC000022626707 570227417 /nfs/dbraw/zinc/22/74/17/570227417.db2.gz KAFKJQQPXJZZJI-HFAKWTLXSA-N -1 0 376.457 3.143 50 0 GGAARM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)c1 ZINC000000958044 570231951 /nfs/dbraw/zinc/23/19/51/570231951.db2.gz OFXOHWLWDQPBLW-UHFFFAOYSA-N -1 0 383.429 3.143 50 0 GGAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C)cc3s2)cc1NC(C)=O ZINC000011615556 570236364 /nfs/dbraw/zinc/23/63/64/570236364.db2.gz NTPZUUAODABFEL-UHFFFAOYSA-N -1 0 391.474 3.373 50 0 GGAARM Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1NC(=O)Nc1ccccc1 ZINC000001158644 570251040 /nfs/dbraw/zinc/25/10/40/570251040.db2.gz IJQAWDODSHAPAQ-UHFFFAOYSA-N -1 0 388.474 3.318 50 0 GGAARM O=C([O-])[C@@H]1Cc2[nH]cnc2[C@@H](c2ccc(F)cc2)N1C(=S)Nc1ccccc1 ZINC000022628257 570264712 /nfs/dbraw/zinc/26/47/12/570264712.db2.gz DYVXCFIFPGCDFU-FUHWJXTLSA-N -1 0 396.447 3.347 50 0 GGAARM Cc1ccc(NC(=O)c2c([O-])c3cnn(Cc4ccccc4)c3[nH]c2=O)c(F)c1 ZINC000049411813 570266807 /nfs/dbraw/zinc/26/68/07/570266807.db2.gz HFRCWAJXBQAWHU-UHFFFAOYSA-N -1 0 392.390 3.178 50 0 GGAARM COc1cc(C(=O)[O-])ccc1-c1cccc(C(=O)NCC2(O)CCCCC2)c1 ZINC000584901394 570270785 /nfs/dbraw/zinc/27/07/85/570270785.db2.gz JQBYGAGSPWPHOO-UHFFFAOYSA-N -1 0 383.444 3.485 50 0 GGAARM Cn1c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2nc1C[NH+]1CCCC1 ZINC000006133766 570276140 /nfs/dbraw/zinc/27/61/40/570276140.db2.gz XDNVBXPALZLIPH-UHFFFAOYSA-N -1 0 388.468 3.109 50 0 GGAARM CC(C)OC(=O)c1c(N)n(-c2ccc(C(=O)[O-])cc2)c2nc3ccccc3nc12 ZINC000002212640 570279124 /nfs/dbraw/zinc/27/91/24/570279124.db2.gz LCPAKXPYNQMKNI-UHFFFAOYSA-N -1 0 390.399 3.419 50 0 GGAARM CCOC(=O)N[C@@]([N-]c1nc2ccccc2s1)(C(=O)OCC)C(F)(F)F ZINC000002217896 570279519 /nfs/dbraw/zinc/27/95/19/570279519.db2.gz BQUIXVDHQALXQA-AWEZNQCLSA-N -1 0 391.371 3.276 50 0 GGAARM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)o1 ZINC000002503245 570288822 /nfs/dbraw/zinc/28/88/22/570288822.db2.gz ILEXGDSSQIJIDN-UHFFFAOYSA-N -1 0 375.406 3.246 50 0 GGAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C1CCOCC1 ZINC000002583455 570291570 /nfs/dbraw/zinc/29/15/70/570291570.db2.gz WNRMJMFKNFPDFJ-FQEVSTJZSA-N -1 0 381.428 3.405 50 0 GGAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)CC3=CSC4=NCCCN34)C2)c1 ZINC000102855315 570293193 /nfs/dbraw/zinc/29/31/93/570293193.db2.gz WIUIUISDOBWUAZ-INIZCTEOSA-N -1 0 385.489 3.131 50 0 GGAARM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1 ZINC000002734823 570296941 /nfs/dbraw/zinc/29/69/41/570296941.db2.gz MLUQGSFYMIYZBJ-UHFFFAOYSA-N -1 0 396.472 3.075 50 0 GGAARM COCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1 ZINC000002869075 570313474 /nfs/dbraw/zinc/31/34/74/570313474.db2.gz SYFFVNXMCPCVPM-UHFFFAOYSA-N -1 0 396.896 3.134 50 0 GGAARM CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(Cl)cc32)CC1 ZINC000012321802 570313895 /nfs/dbraw/zinc/31/38/95/570313895.db2.gz YKBLBARZMLMQOU-INIZCTEOSA-N -1 0 393.871 3.500 50 0 GGAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc(NC(=O)c3ccccc3)c1)C2=O ZINC000002874089 570314221 /nfs/dbraw/zinc/31/42/21/570314221.db2.gz BUMFQDCJNODNHD-UHFFFAOYSA-N -1 0 386.363 3.438 50 0 GGAARM CCC(N[C@@H](C)c1ccccc1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000006186936 570318265 /nfs/dbraw/zinc/31/82/65/570318265.db2.gz DILCOAXBIAQYJD-MJWGMMHASA-N -1 0 377.444 3.280 50 0 GGAARM COc1ccc(N2C(=O)CC[C@H](C(=O)[O-])[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000002944904 570319188 /nfs/dbraw/zinc/31/91/88/570319188.db2.gz HBZSNPJHTRNXPY-OXJNMPFZSA-N -1 0 385.416 3.281 50 0 GGAARM O=C([O-])COc1ccc(C=C2SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1 ZINC000002960305 570320224 /nfs/dbraw/zinc/32/02/24/570320224.db2.gz NZIRUQHHDVHPKJ-YVLHZVERSA-N -1 0 397.408 3.069 50 0 GGAARM CC(C)C[C@@H](NC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000004843894 570327292 /nfs/dbraw/zinc/32/72/92/570327292.db2.gz HQBCXVGGIVSACI-CWDSQJGSSA-N -1 0 398.434 3.212 50 0 GGAARM CCOC(=O)[C@@]1(Nc2ccccc2C(=O)[O-])Sc2cc(C)ccc2NC1=O ZINC000003097830 570328305 /nfs/dbraw/zinc/32/83/05/570328305.db2.gz UFWCTXFXBYZUDJ-IBGZPJMESA-N -1 0 386.429 3.109 50 0 GGAARM O=C(CSc1nnc2sc3ccccc3n12)Nc1ccc(C(=O)[O-])cc1 ZINC000003319145 570338530 /nfs/dbraw/zinc/33/85/30/570338530.db2.gz PFPVJRMLOISWDT-UHFFFAOYSA-N -1 0 384.442 3.373 50 0 GGAARM COc1ccc(C(=O)CSc2nc3ccccc3c(C(=O)[O-])n2)c(OC)c1 ZINC000000624723 570341032 /nfs/dbraw/zinc/34/10/32/570341032.db2.gz QSTMQZOVQRNINS-UHFFFAOYSA-N -1 0 384.413 3.320 50 0 GGAARM Cc1cc(C)n2nc(S(=O)(=O)[N-]c3ccc(Oc4ccccc4)cc3)nc2n1 ZINC000035326792 570341566 /nfs/dbraw/zinc/34/15/66/570341566.db2.gz SYLGXVXKTDYAHI-UHFFFAOYSA-N -1 0 395.444 3.334 50 0 GGAARM CN1C2=C(C(=O)N(c3ccc(C(=O)[O-])cc3)C2)[C@H](c2ccc(Cl)cc2)NC1=O ZINC000035327551 570341965 /nfs/dbraw/zinc/34/19/65/570341965.db2.gz ZQWCUXPCIXKLPX-KRWDZBQOSA-N -1 0 397.818 3.035 50 0 GGAARM CCOC(=O)c1c([N-]S(=O)(=O)c2cnn(CC)c2)sc2c1CC[C@H](C)C2 ZINC000006229058 570344182 /nfs/dbraw/zinc/34/41/82/570344182.db2.gz IHSUAJDSEGLAHF-NSHDSACASA-N -1 0 397.522 3.067 50 0 GGAARM CC1=Nc2nc(NC(=O)CCCC(=O)[O-])nn2[C@@H](c2ccc(Cl)cc2)C1 ZINC000004879735 570354180 /nfs/dbraw/zinc/35/41/80/570354180.db2.gz FWPZXYUPWGXFJJ-CYBMUJFWSA-N -1 0 375.816 3.044 50 0 GGAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cccc(Oc3cnccn3)c2)cc1 ZINC000004108361 570357544 /nfs/dbraw/zinc/35/75/44/570357544.db2.gz LOMMQBAXZMWMKK-UHFFFAOYSA-N -1 0 384.417 3.088 50 0 GGAARM O=C([O-])c1nccnc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000004307499 570366862 /nfs/dbraw/zinc/36/68/62/570366862.db2.gz OYSPHLXCVNNLGZ-UHFFFAOYSA-N -1 0 380.326 3.046 50 0 GGAARM COc1cc(OC)cc(C(C)(C)OC(=O)N[C@H](C(=O)[O-])[C@H](C)OC(C)(C)C)c1 ZINC000004336687 570369384 /nfs/dbraw/zinc/36/93/84/570369384.db2.gz SOQQTRRWZFYKMZ-LRDDRELGSA-N -1 0 397.468 3.322 50 0 GGAARM COc1ccc(/C=C\C(=O)Oc2ccc([C@@H]3N[C@H](C(=O)[O-])CS3)cc2)cc1 ZINC000004554651 570383975 /nfs/dbraw/zinc/38/39/75/570383975.db2.gz OQTROSVEURESEK-XTURWGSZSA-N -1 0 385.441 3.102 50 0 GGAARM COc1ccc(/C=C\C(=O)Oc2ccc([C@@H]3N[C@@H](C(=O)[O-])CS3)cc2)cc1 ZINC000004554653 570384128 /nfs/dbraw/zinc/38/41/28/570384128.db2.gz OQTROSVEURESEK-POBYMTSZSA-N -1 0 385.441 3.102 50 0 GGAARM O=C([O-])Cn1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 ZINC000004688489 570393309 /nfs/dbraw/zinc/39/33/09/570393309.db2.gz FYGIBSRJUCZXNU-CXUHLZMHSA-N -1 0 395.802 3.477 50 0 GGAARM COc1ccc(Cl)cc1CNc1ccc(N2CCOCC2)c(C(=O)[O-])c1 ZINC000004703571 570395722 /nfs/dbraw/zinc/39/57/22/570395722.db2.gz OUZKQCSXNXDNOE-UHFFFAOYSA-N -1 0 376.840 3.496 50 0 GGAARM Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2NC[C@@H]2CCCO2)cc1 ZINC000005017267 570397000 /nfs/dbraw/zinc/39/70/00/570397000.db2.gz JUEPKUHJQUGKCT-HNNXBMFYSA-N -1 0 398.488 3.330 50 0 GGAARM CN1C(=O)N/C(=C/c2ccc(OCc3cccc(C(=O)[O-])c3)c(Cl)c2)C1=O ZINC000004723285 570397750 /nfs/dbraw/zinc/39/77/50/570397750.db2.gz TUTIASPKVIAIEH-OQLLNIDSSA-N -1 0 386.791 3.140 50 0 GGAARM COc1ccc([C@@H]2CC(c3c(=O)cc(C)oc3[O-])=NCCS2)cc1OC ZINC000137816379 570398228 /nfs/dbraw/zinc/39/82/28/570398228.db2.gz GJKQWXKPVUZFAI-KRWDZBQOSA-N -1 0 375.446 3.338 50 0 GGAARM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)o1)N1CCc2ccccc21 ZINC000035597557 570400370 /nfs/dbraw/zinc/40/03/70/570400370.db2.gz ASNMGOQMWGFAHQ-UHFFFAOYSA-N -1 0 386.404 3.422 50 0 GGAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000005074097 570411410 /nfs/dbraw/zinc/41/14/10/570411410.db2.gz FIUJJLVCDCAELT-FQEVSTJZSA-N -1 0 388.423 3.365 50 0 GGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc(OC)cc3)C2)cc1 ZINC000004856274 570412717 /nfs/dbraw/zinc/41/27/17/570412717.db2.gz QEDYFXWEZZCDMU-IBGZPJMESA-N -1 0 382.416 3.246 50 0 biogenic GGAARM CC[C@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC000004866150 570413603 /nfs/dbraw/zinc/41/36/03/570413603.db2.gz GZVYHDKHVKVGQQ-UGSOOPFHSA-N -1 0 384.432 3.177 50 0 GGAARM O=C([O-])CCCCCNC(=O)/C(=C\c1ccco1)NC(=O)/C=C/c1ccccc1 ZINC000005091244 570415091 /nfs/dbraw/zinc/41/50/91/570415091.db2.gz KLTMWLZODQIWQE-DKLJFVBZSA-N -1 0 396.443 3.211 50 0 GGAARM CCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)C)c12 ZINC000035686289 570417849 /nfs/dbraw/zinc/41/78/49/570417849.db2.gz HAAZHXBVIWPKPW-DJJJIMSYSA-N -1 0 389.448 3.047 50 0 GGAARM COC(=O)c1cn(CCCCCCCCCCC(=O)[O-])cc2c(=O)[nH]nc1-2 ZINC000524729197 570420250 /nfs/dbraw/zinc/42/02/50/570420250.db2.gz IJFPBPHCCBBQIH-UHFFFAOYSA-N -1 0 377.441 3.471 50 0 biogenic GGAARM Cc1nnc2ccc(-c3cccc([N-]S(=O)(=O)c4ccccc4F)c3)nn12 ZINC000005150922 570428492 /nfs/dbraw/zinc/42/84/92/570428492.db2.gz ZCKRSOOHKYWMIA-UHFFFAOYSA-N -1 0 383.408 3.040 50 0 GGAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)[C@H](C(=O)[O-])C1 ZINC000239309886 570429054 /nfs/dbraw/zinc/42/90/54/570429054.db2.gz HWYRXKAWTRCOJC-BIGNPOOSSA-N -1 0 390.505 3.358 50 0 GGAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)[C@H](C(=O)[O-])C1 ZINC000239309887 570429089 /nfs/dbraw/zinc/42/90/89/570429089.db2.gz HWYRXKAWTRCOJC-QCZZGDTMSA-N -1 0 390.505 3.358 50 0 GGAARM C[C@@H]1c2cc([N-]S(=O)(=O)c3cc(F)ccc3F)cc3c2N(CCC3)C1=O ZINC000005153765 570429434 /nfs/dbraw/zinc/42/94/34/570429434.db2.gz ROOMJEYLWYIKBD-SNVBAGLBSA-N -1 0 378.400 3.162 50 0 GGAARM O=C([O-])c1cccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2)c1 ZINC000005126777 570430074 /nfs/dbraw/zinc/43/00/74/570430074.db2.gz KMQNNXOMVBWSSP-QZTJIDSGSA-N -1 0 392.411 3.317 50 0 GGAARM CC(=O)N[C@@H](CS[C@H](CC(=O)c1ccc(C)cc1)c1ccco1)C(=O)[O-] ZINC000001896353 570439554 /nfs/dbraw/zinc/43/95/54/570439554.db2.gz YOGOGWMOYMTWKT-MAUKXSAKSA-N -1 0 375.446 3.225 50 0 GGAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccc2OCc2ccccc2)cc1 ZINC000005481061 570441667 /nfs/dbraw/zinc/44/16/67/570441667.db2.gz FLFHBEVIFZBTSG-UHFFFAOYSA-N -1 0 397.456 3.420 50 0 GGAARM O=C([O-])c1ccc(CNC(=O)CSc2ncnc3sc4c(c32)CCC4)cc1 ZINC000006507231 570460100 /nfs/dbraw/zinc/46/01/00/570460100.db2.gz JGSREOUDMWSQNB-UHFFFAOYSA-N -1 0 399.497 3.287 50 0 GGAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1 ZINC000006659277 570486302 /nfs/dbraw/zinc/48/63/02/570486302.db2.gz ARZJFKNSGYKJPF-KBPBESRZSA-N -1 0 398.381 3.148 50 0 GGAARM CCC[C@H](NC(=O)Cc1c(C)c2c3occ(C)c3c(C)cc2oc1=O)C(=O)[O-] ZINC000006624063 570508222 /nfs/dbraw/zinc/50/82/22/570508222.db2.gz NRXRPHOHVOUGIM-AWEZNQCLSA-N -1 0 385.416 3.376 50 0 biogenic GGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1)c1ccccc1 ZINC000002800870 570516868 /nfs/dbraw/zinc/51/68/68/570516868.db2.gz CIKFTDUDMIKARE-UHFFFAOYSA-N -1 0 388.836 3.183 50 0 GGAARM CCn1cc(S(=O)(=O)[N-]c2c(C)nn(Cc3cccc(C)c3)c2C)c(C)n1 ZINC000002792159 570517808 /nfs/dbraw/zinc/51/78/08/570517808.db2.gz VOCSNAJVEADKTJ-UHFFFAOYSA-N -1 0 387.509 3.182 50 0 GGAARM Cc1nn(CC2N=NC(=S)N2c2cnn(Cc3ccccc3)c2)cc1Cl ZINC000002808504 570519798 /nfs/dbraw/zinc/51/97/98/570519798.db2.gz VDYAKGIJSBPPNB-UHFFFAOYSA-N -1 0 385.884 3.007 50 0 GGAARM CC[C@H](Oc1ccccc1)c1nnc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)s1 ZINC000071286080 570524623 /nfs/dbraw/zinc/52/46/23/570524623.db2.gz KFCYNKIKHHPRKN-YNEHKIRRSA-N -1 0 375.450 3.364 50 0 GGAARM O=C([O-])c1ccccc1CC(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1 ZINC000071284825 570525818 /nfs/dbraw/zinc/52/58/18/570525818.db2.gz VWGQKUPHZBSPLW-UHFFFAOYSA-N -1 0 386.835 3.455 50 0 GGAARM COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nc2c(c(=O)[nH]1)CCCC2 ZINC000008587356 570534817 /nfs/dbraw/zinc/53/48/17/570534817.db2.gz SRWHJQXVPCQBSQ-JTQLQIEISA-N -1 0 393.896 3.430 50 0 GGAARM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3C)cc1 ZINC000008715842 570537859 /nfs/dbraw/zinc/53/78/59/570537859.db2.gz GTGGEXLPPWZABQ-UHFFFAOYSA-N -1 0 396.424 3.017 50 0 GGAARM CCCCCCN(C[C@H](O)COc1cccc2ccccc21)S(=O)(=O)[O-] ZINC000022779729 570538241 /nfs/dbraw/zinc/53/82/41/570538241.db2.gz LFFSKNOWQKFDSC-KRWDZBQOSA-N -1 0 381.494 3.265 50 0 GGAARM CCc1nc2sc([C@H](c3cccc(F)c3)N3C[C@@H](C)O[C@H](C)C3)c([O-])n2n1 ZINC000036104903 570541716 /nfs/dbraw/zinc/54/17/16/570541716.db2.gz XBNWGJNHMHCLNG-HSMVNMDESA-N -1 0 390.484 3.397 50 0 GGAARM COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1F ZINC000005329288 570554918 /nfs/dbraw/zinc/55/49/18/570554918.db2.gz WTDCWFBCJCIMQF-UHFFFAOYSA-N -1 0 378.425 3.070 50 0 GGAARM O=C([O-])c1cccc(N[C@H](NC(=O)c2cccs2)C(=O)c2ccccc2)c1 ZINC000005331606 570555548 /nfs/dbraw/zinc/55/55/48/570555548.db2.gz RMVSVJCFVWSBRD-GOSISDBHSA-N -1 0 380.425 3.497 50 0 GGAARM CCOc1ccc2[nH]c(SCC(=O)NCc3ccc(C(=O)[O-])cc3)nc2c1 ZINC000009526042 570559454 /nfs/dbraw/zinc/55/94/54/570559454.db2.gz XODPJOLGRGTFGH-UHFFFAOYSA-N -1 0 385.445 3.068 50 0 GGAARM CCN1C(=O)C(=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)NC1=S ZINC000036370499 570564135 /nfs/dbraw/zinc/56/41/35/570564135.db2.gz NAGRDRZORXZNKY-BOPFTXTBSA-N -1 0 382.441 3.453 50 0 GGAARM O=C([O-])C(Sc1nnc2c(n1)[nH]c1ccccc12)=C1C(=O)Nc2ccccc21 ZINC000005477714 570607605 /nfs/dbraw/zinc/60/76/05/570607605.db2.gz BMXQOMWSZDLLRX-FYWRMAATSA-N -1 0 389.396 3.046 50 0 GGAARM Cc1ccc(C(=O)[C@@H](NC(=O)c2ccco2)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000005531569 570629862 /nfs/dbraw/zinc/62/98/62/570629862.db2.gz GZGRYMWNPDNFCT-LJQANCHMSA-N -1 0 378.384 3.337 50 0 GGAARM O=C([O-])CSc1nnc(-c2ccc3c(c2)OCCCO3)n1-c1ccccc1 ZINC000064987175 570631397 /nfs/dbraw/zinc/63/13/97/570631397.db2.gz REDAYOWLKNEWAW-UHFFFAOYSA-N -1 0 383.429 3.272 50 0 GGAARM CC(C)[C@H](NC(=O)Cn1ccc2cc(OCc3ccccc3)ccc21)C(=O)[O-] ZINC000036352630 570634299 /nfs/dbraw/zinc/63/42/99/570634299.db2.gz MTVFEMFSISSPDY-NRFANRHFSA-N -1 0 380.444 3.446 50 0 GGAARM COc1ccc([N-]S(=O)(=O)c2c(C)nn(-c3ccc(F)cc3)c2C)cc1 ZINC000036359983 570642613 /nfs/dbraw/zinc/64/26/13/570642613.db2.gz VNMHVHYYTRKTKZ-UHFFFAOYSA-N -1 0 375.425 3.438 50 0 GGAARM C[C@@H]1C[C@H](C)C[N@H+]([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(Cl)ccc23)C1 ZINC000036366940 570645075 /nfs/dbraw/zinc/64/50/75/570645075.db2.gz PXNCHQQZUARSEF-IUUKEHGRSA-N -1 0 378.856 3.483 50 0 GGAARM O=C([O-])CCCCCCCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000012375201 570649088 /nfs/dbraw/zinc/64/90/88/570649088.db2.gz ZFNHFESXXDQABR-UHFFFAOYSA-N -1 0 399.509 3.332 50 0 GGAARM CCOC(=O)C[C@@H](c1cccc(OC)c1OC)c1c([O-])c2ccccc2[nH]c1=O ZINC000072325872 570673984 /nfs/dbraw/zinc/67/39/84/570673984.db2.gz KKZLZXYANOYFFQ-HNNXBMFYSA-N -1 0 397.427 3.336 50 0 biogenic GGAARM CCOC(=O)C[C@H](c1ccc(OC)cc1OC)c1c([O-])c2ccccc2[nH]c1=O ZINC000072326011 570674080 /nfs/dbraw/zinc/67/40/80/570674080.db2.gz UFZLYQSWLAMTNY-MRXNPFEDSA-N -1 0 397.427 3.336 50 0 biogenic GGAARM Cn1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])n1 ZINC000685945010 570675411 /nfs/dbraw/zinc/67/54/11/570675411.db2.gz OAGAMZORUXNNOU-LJQANCHMSA-N -1 0 377.400 3.085 50 0 GGAARM O=C([O-])[C@H](Cn1cccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000685944934 570675819 /nfs/dbraw/zinc/67/58/19/570675819.db2.gz JOMKLUODADXTIR-FQEVSTJZSA-N -1 0 376.412 3.480 50 0 GGAARM O=C([O-])c1cnc(CNC(=O)OCC2c3ccccc3-c3ccccc32)nc1 ZINC000685945113 570675842 /nfs/dbraw/zinc/67/58/42/570675842.db2.gz VZMVBKVWDIQXJP-UHFFFAOYSA-N -1 0 375.384 3.214 50 0 GGAARM Cc1occc1C(=O)Nc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000055211823 570687523 /nfs/dbraw/zinc/68/75/23/570687523.db2.gz WICFKCYMRSOJIL-SFHVURJKSA-N -1 0 378.384 3.396 50 0 GGAARM O=C([O-])CNc1ccccc1C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000055211300 570687544 /nfs/dbraw/zinc/68/75/44/570687544.db2.gz COYWVUGCXYUELP-QGZVFWFLSA-N -1 0 392.415 3.210 50 0 GGAARM O=C([O-])c1cn(CCc2n[nH]c3c2CCCC3)cc(Oc2ccccc2)c1=O ZINC000055393593 570694167 /nfs/dbraw/zinc/69/41/67/570694167.db2.gz OQKCYXGZBQMADU-UHFFFAOYSA-N -1 0 379.416 3.183 50 0 GGAARM COc1ccc(-c2nc(CC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])cs2)cc1 ZINC000036575506 570741460 /nfs/dbraw/zinc/74/14/60/570741460.db2.gz KMLGSFPBIVNDRO-GOSISDBHSA-N -1 0 396.468 3.173 50 0 GGAARM Cn1cc([C@H]2CC(=O)Oc3cc(=O)c4c(O)c(-c5ccccc5)coc-4c32)cn1 ZINC000524731204 570766123 /nfs/dbraw/zinc/76/61/23/570766123.db2.gz NQZJQTDYCKICOZ-CQSZACIVSA-N -1 0 388.379 3.340 50 0 biogenic GGAARM O=C([O-])C1(Oc2ccc(Cl)cc2)CCN(C(=O)c2cccc(O)c2)CC1 ZINC000065458764 570769671 /nfs/dbraw/zinc/76/96/71/570769671.db2.gz HEANNQJKLCTEBG-UHFFFAOYSA-N -1 0 375.808 3.184 50 0 GGAARM O=C(NC1CC1)c1ccc2nc([N-]S(=O)(=O)c3ccc(F)cc3)sc2c1 ZINC000013691063 570775811 /nfs/dbraw/zinc/77/58/11/570775811.db2.gz SBMBYCQYVZCFNH-UHFFFAOYSA-N -1 0 391.449 3.128 50 0 GGAARM C[C@@H](CCc1ccco1)NC(=O)c1ccc2nc([N-]S(C)(=O)=O)sc2c1 ZINC000013731025 570783160 /nfs/dbraw/zinc/78/31/60/570783160.db2.gz REKQQIDJWQIXMA-NSHDSACASA-N -1 0 393.490 3.012 50 0 GGAARM Cc1ccoc1C(=O)N1CCc2c(c(C(=O)[O-])nn2CCCc2ccccc2)C1 ZINC000067642752 570784268 /nfs/dbraw/zinc/78/42/68/570784268.db2.gz BEUZEMWQDCOQQF-UHFFFAOYSA-N -1 0 393.443 3.314 50 0 GGAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cc2c3c(c1)CCCN3C(=O)[C@H]2C ZINC000101078720 570794020 /nfs/dbraw/zinc/79/40/20/570794020.db2.gz YFRRRHRVMUOXJL-ZDUSSCGKSA-N -1 0 386.473 3.201 50 0 GGAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc2c3c(c1)CCCN3C(=O)[C@@H]2C ZINC000101078724 570794047 /nfs/dbraw/zinc/79/40/47/570794047.db2.gz UKMYSZVARQHUQY-LLVKDONJSA-N -1 0 390.436 3.031 50 0 GGAARM Cc1c2ccc(C)cc2oc1C(=O)N1CCC(c2cc(CC(=O)[O-])n[nH]2)CC1 ZINC000067894939 570796462 /nfs/dbraw/zinc/79/64/62/570796462.db2.gz ARSYSPLUTUPYLF-UHFFFAOYSA-N -1 0 381.432 3.420 50 0 GGAARM O=C([O-])CCC(=O)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067965185 570798639 /nfs/dbraw/zinc/79/86/39/570798639.db2.gz DQRGEYIPXDOIGE-UHFFFAOYSA-N -1 0 375.808 3.298 50 0 GGAARM CCOC(=O)CSc1n[n-]c2nc3c(c(=O)n21)[C@](C)(CC)Cc1ccccc1-3 ZINC000005675675 570799643 /nfs/dbraw/zinc/79/96/43/570799643.db2.gz NSICNSLLRUBYNC-HXUWFJFHSA-N -1 0 398.488 3.376 50 0 GGAARM Cc1ccccc1-c1ccccc1C(=O)N1CCc2c(c(C(=O)[O-])nn2C)C1 ZINC000067982626 570799963 /nfs/dbraw/zinc/79/99/63/570799963.db2.gz NWDXYZBRHBOXAQ-UHFFFAOYSA-N -1 0 375.428 3.292 50 0 GGAARM O=c1c2[n-][nH]n(Cc3ccc(F)cc3Cl)c=2c(=O)n1-c1ccc(F)cc1 ZINC000004483679 570805104 /nfs/dbraw/zinc/80/51/04/570805104.db2.gz FPQQRMPCYHTFSG-HUUCEWRRSA-N -1 0 376.750 3.112 50 0 GGAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cc(C)ccc4C)c=3c2=O)cc1Cl ZINC000004483899 570805173 /nfs/dbraw/zinc/80/51/73/570805173.db2.gz HKJXTJIJQMMCNG-MSOLQXFVSA-N -1 0 398.850 3.459 50 0 GGAARM CCOC(=O)c1[nH]c2ccc(OC)cc2c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000005683999 570808145 /nfs/dbraw/zinc/80/81/45/570808145.db2.gz QQHIIBRGXSCHKK-UHFFFAOYSA-N -1 0 392.408 3.293 50 0 GGAARM COCCCNC(=O)C1CCC(Cn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000004657964 570809186 /nfs/dbraw/zinc/80/91/86/570809186.db2.gz WRLXZSJOOSKDHP-UHFFFAOYSA-N -1 0 389.521 3.018 50 0 GGAARM Cc1ccc(NC(=O)c2nnn3c2N=C(C(=O)[O-])C[C@H]3c2ccc(C)cc2)cc1 ZINC000101353386 570819704 /nfs/dbraw/zinc/81/97/04/570819704.db2.gz YUQDMKMNRPSTNA-KRWDZBQOSA-N -1 0 389.415 3.131 50 0 GGAARM CCOC(=O)Cc1cc(=O)n2[n-]c(Cc3ccccc3)c(-c3ccccc3)c2n1 ZINC000101383508 570821336 /nfs/dbraw/zinc/82/13/36/570821336.db2.gz ORNMDRNHENRHQO-UHFFFAOYSA-N -1 0 387.439 3.386 50 0 GGAARM Cc1c2c(cc(=O)n1Cc1ccncc1)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000101375571 570821447 /nfs/dbraw/zinc/82/14/47/570821447.db2.gz ITHWEGMGALBCFW-UHFFFAOYSA-N -1 0 389.440 3.206 50 0 GGAARM Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(C(=O)[O-])cc3)C2=O)c1 ZINC000004679693 570825997 /nfs/dbraw/zinc/82/59/97/570825997.db2.gz OLGKRHFVGXYDBR-YBEGLDIGSA-N -1 0 396.424 3.368 50 0 GGAARM CC[C@H](C)n1c(=O)c([C@H]2OC(=O)c3c2ccc(OC)c3OC)c([O-])[nH]c1=S ZINC000002126295 570834919 /nfs/dbraw/zinc/83/49/19/570834919.db2.gz OSGJRKXNIUBYKE-SDBXPKJASA-N -1 0 392.433 3.272 50 0 biogenic GGAARM Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(-c2nc(C)c(C)c(=O)[nH]2)n1 ZINC000007421031 570839774 /nfs/dbraw/zinc/83/97/74/570839774.db2.gz DTAOFKXLMGJHEY-UHFFFAOYSA-N -1 0 392.246 3.440 50 0 GGAARM O=C(c1cc(=O)[nH][n-]1)N1CCO[C@H](CC(c2ccccc2)c2ccccc2)C1 ZINC000071746557 570845166 /nfs/dbraw/zinc/84/51/66/570845166.db2.gz VFMUISOXZZEBNS-GOSISDBHSA-N -1 0 377.444 3.179 50 0 GGAARM O=C([O-])[C@H](C[C@H]1CCOC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000226811559 570848119 /nfs/dbraw/zinc/84/81/19/570848119.db2.gz WMXXWGFTNHLUAL-VLIAUNLRSA-N -1 0 381.428 3.405 50 0 GGAARM O=C([O-])c1n[nH]cc1CN1CCC[C@@H](C(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000071763256 570850335 /nfs/dbraw/zinc/85/03/35/570850335.db2.gz WIABKEUCGFCJCJ-GFCCVEGCSA-N -1 0 381.354 3.222 50 0 GGAARM O=C([O-])c1ccccc1-c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)o1 ZINC000004550035 570860930 /nfs/dbraw/zinc/86/09/30/570860930.db2.gz SXUXSXSAQQRGTB-WQRHYEAKSA-N -1 0 388.404 3.415 50 0 GGAARM COc1ccc([C@H]2CC(C(=O)[O-])=Nc3c(C(=O)Nc4ccccc4)cnn32)cc1 ZINC000102810660 570864868 /nfs/dbraw/zinc/86/48/68/570864868.db2.gz CZFZDDYZDVLPCP-GOSISDBHSA-N -1 0 390.399 3.127 50 0 GGAARM O=C([O-])C1=Nc2c(C(=O)Nc3cccc(F)c3)cnn2[C@@H](c2ccccc2F)C1 ZINC000102810854 570865324 /nfs/dbraw/zinc/86/53/24/570865324.db2.gz XGSYOGBERTWXPU-QGZVFWFLSA-N -1 0 396.353 3.397 50 0 GGAARM O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000072138861 570869468 /nfs/dbraw/zinc/86/94/68/570869468.db2.gz QPEHVDDADOIBGS-KRWDZBQOSA-N -1 0 380.423 3.021 50 0 GGAARM O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1CCC[C@@H](Nc2ccc(F)cc2)C1 ZINC000072138862 570869506 /nfs/dbraw/zinc/86/95/06/570869506.db2.gz QPEHVDDADOIBGS-QGZVFWFLSA-N -1 0 380.423 3.021 50 0 GGAARM O=C([O-])c1cc(-c2cccc3ncccc32)cc(S(=O)(=O)N2CCCC2)c1 ZINC000072143838 570870321 /nfs/dbraw/zinc/87/03/21/570870321.db2.gz LYMRCEHCQMEHKD-UHFFFAOYSA-N -1 0 382.441 3.385 50 0 GGAARM CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)COc2ccccc2OC)cc1 ZINC000003623487 570878654 /nfs/dbraw/zinc/87/86/54/570878654.db2.gz YUDXUUAKOQELSB-QGZVFWFLSA-N -1 0 387.432 3.195 50 0 GGAARM Cc1ccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1 ZINC000103212180 570879694 /nfs/dbraw/zinc/87/96/94/570879694.db2.gz DRDQTRIMAZCCRT-DVOMOZLQSA-N -1 0 384.379 3.160 50 0 GGAARM COc1cc(C(=O)c2coc3ccc(OCC(=O)[O-])cc23)cc(OC)c1OC ZINC000170622149 570879784 /nfs/dbraw/zinc/87/97/84/570879784.db2.gz BHYXENPRBUVMRH-UHFFFAOYSA-N -1 0 386.356 3.153 50 0 GGAARM O=C([O-])c1ccccc1CC(=O)Nc1cc(C(=O)Nc2cccnc2)ccc1F ZINC000071284925 570887914 /nfs/dbraw/zinc/88/79/14/570887914.db2.gz ZLVZVAWEVIASNP-UHFFFAOYSA-N -1 0 393.374 3.352 50 0 GGAARM COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@H]1[C@H](C(=O)[O-])C1(C)C ZINC000071285187 570887953 /nfs/dbraw/zinc/88/79/53/570887953.db2.gz ZNGSVQWWEJIXPX-IAGOWNOFSA-N -1 0 382.416 3.243 50 0 GGAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(C(=O)NC2CCCC2)c(Cl)c1 ZINC000071285890 570888343 /nfs/dbraw/zinc/88/83/43/570888343.db2.gz VFWPCOHRJNMSKQ-CABCVRRESA-N -1 0 378.856 3.308 50 0 GGAARM CC1(C)[C@H](C(=O)Nc2ccc(C(=O)Nc3ccccn3)c(Cl)c2)[C@@H]1C(=O)[O-] ZINC000071285334 570888369 /nfs/dbraw/zinc/88/83/69/570888369.db2.gz MFCHTQUFZGJQLX-LSDHHAIUSA-N -1 0 387.823 3.283 50 0 GGAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(C(=O)Nc2ccccn2)c(Cl)c1 ZINC000071285335 570888370 /nfs/dbraw/zinc/88/83/70/570888370.db2.gz MFCHTQUFZGJQLX-HUUCEWRRSA-N -1 0 387.823 3.283 50 0 GGAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccn2)c1 ZINC000071287717 570888851 /nfs/dbraw/zinc/88/88/51/570888851.db2.gz ILNYCYSKQCXLIK-CABCVRRESA-N -1 0 387.823 3.283 50 0 GGAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(Cl)c(C(=O)NC2CCCC2)c1 ZINC000071288462 570889215 /nfs/dbraw/zinc/88/92/15/570889215.db2.gz LQVGIZSCYPGZAS-HUUCEWRRSA-N -1 0 378.856 3.308 50 0 GGAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 ZINC000013737123 570901093 /nfs/dbraw/zinc/90/10/93/570901093.db2.gz QAKXQCLBWONOIG-JKSUJKDBSA-N -1 0 397.302 3.305 50 0 GGAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(CC(=O)NC2CC2)cc1 ZINC000013849867 570902343 /nfs/dbraw/zinc/90/23/43/570902343.db2.gz MGLZCNDNGWXIIA-UHFFFAOYSA-N -1 0 388.489 3.016 50 0 GGAARM COC(=O)c1cccc(-c2ccc(C=C(Sc3nc(C)n[nH]3)C(=O)[O-])o2)c1 ZINC000005721341 570903608 /nfs/dbraw/zinc/90/36/08/570903608.db2.gz CZCHWAHOUOMZAD-OQLLNIDSSA-N -1 0 385.401 3.378 50 0 GGAARM CCc1cc2c(cc1OCC(=O)[O-])occ(-c1ccc3c(c1)OCCO3)c2=O ZINC000004026079 570904103 /nfs/dbraw/zinc/90/41/03/570904103.db2.gz BVQTZFZSCUNBKP-UHFFFAOYSA-N -1 0 382.368 3.257 50 0 biogenic GGAARM COCCn1c2ccc(C(=O)[O-])cc2nc1-c1ccc(OC)c(OC)c1OC ZINC000534589953 570905794 /nfs/dbraw/zinc/90/57/94/570905794.db2.gz GFKBEDVIJXQZEB-UHFFFAOYSA-N -1 0 386.404 3.074 50 0 GGAARM COC[C@H](C(=O)[O-])N(C(=O)OCC1c2ccccc2-c2ccccc21)C1CC1 ZINC000309931559 570905865 /nfs/dbraw/zinc/90/58/65/570905865.db2.gz ZIHUQPBNLZYDRK-HXUWFJFHSA-N -1 0 381.428 3.500 50 0 GGAARM CC(C)Oc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)Cc2ccccc2)cc1 ZINC000004580875 570911475 /nfs/dbraw/zinc/91/14/75/570911475.db2.gz JOQGFNSDXDJEFG-SFHVURJKSA-N -1 0 377.462 3.109 50 0 GGAARM O=C(CCc1csc([N-]S(=O)(=O)c2ccccc2)n1)NC1CCCCC1 ZINC000016848383 570914284 /nfs/dbraw/zinc/91/42/84/570914284.db2.gz QDIRAEVGWHPAHZ-UHFFFAOYSA-N -1 0 393.534 3.325 50 0 GGAARM CCn1c2ncc(C(=O)[O-])cc2nc1-c1ccc([C@@H](C)N2CCOCC2)cc1 ZINC000534656083 570915641 /nfs/dbraw/zinc/91/56/41/570915641.db2.gz KTBSJTPCDMWQJH-CQSZACIVSA-N -1 0 380.448 3.210 50 0 GGAARM Cc1coc2c1cc1c(C)c(CC(=O)N3CCC[C@H]3C(=O)[O-])c(=O)oc1c2C ZINC000004061894 570927636 /nfs/dbraw/zinc/92/76/36/570927636.db2.gz JLNWOVCZWIYBFU-INIZCTEOSA-N -1 0 383.400 3.083 50 0 biogenic GGAARM Cc1oc2c(cc3c(C)c(CC(=O)N4CCC[C@H]4C(=O)[O-])c(=O)oc3c2C)c1C ZINC000004062500 570928098 /nfs/dbraw/zinc/92/80/98/570928098.db2.gz FWXSKCFYMFTWNC-KRWDZBQOSA-N -1 0 397.427 3.391 50 0 biogenic GGAARM Cc1nc2sc([C@H](c3ccc(F)c(F)c3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000017144189 570928541 /nfs/dbraw/zinc/92/85/41/570928541.db2.gz KBGHXNMBHPWURM-WMFXKJRFSA-N -1 0 394.447 3.282 50 0 GGAARM Cc1coc2c1cc1c(C)c(CC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)oc1c2C ZINC000002105419 570948224 /nfs/dbraw/zinc/94/82/24/570948224.db2.gz SCMILXJLUKLGAH-KRWDZBQOSA-N -1 0 385.416 3.232 50 0 biogenic GGAARM Cc1coc2cc3oc(=O)c(CCC(=O)N4CCC(C(=O)[O-])CC4)c(C)c3cc12 ZINC000002107169 570948569 /nfs/dbraw/zinc/94/85/69/570948569.db2.gz DJVALTXFCGHFQS-UHFFFAOYSA-N -1 0 397.427 3.412 50 0 biogenic GGAARM CCOc1ccc(-n2[nH][n-]c3c(=O)n(-c4cccc(SC)c4)c(=O)c2=3)cc1 ZINC000033274057 570949467 /nfs/dbraw/zinc/94/94/67/570949467.db2.gz APFHFFGQHPMICI-SJORKVTESA-N -1 0 382.445 3.305 50 0 GGAARM CO[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@](C)(C(=O)[O-])C1 ZINC000521398766 570954343 /nfs/dbraw/zinc/95/43/43/570954343.db2.gz LMPQFWMCCLLYFK-RCDICMHDSA-N -1 0 381.428 3.500 50 0 GGAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)NCc1ccc(F)cc1 ZINC000004742951 570956854 /nfs/dbraw/zinc/95/68/54/570956854.db2.gz QWRMCSJBFLOFLG-UHFFFAOYSA-N -1 0 375.783 3.458 50 0 GGAARM CC[C@@H](C)n1c(=O)c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c([O-])[nH]c1=S ZINC000002126291 570957937 /nfs/dbraw/zinc/95/79/37/570957937.db2.gz OSGJRKXNIUBYKE-AMIZOPFISA-N -1 0 392.433 3.272 50 0 biogenic GGAARM CCCC[C@@H](NC(=O)[C@H](C)Oc1ccc2c(CCC)cc(=O)oc2c1)C(=O)[O-] ZINC000002153271 570972922 /nfs/dbraw/zinc/97/29/22/570972922.db2.gz QOMGFEQIZGTBER-SUMWQHHRSA-N -1 0 389.448 3.272 50 0 biogenic GGAARM CCCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](CCCC)C(=O)[O-])ccc12 ZINC000002156135 570973339 /nfs/dbraw/zinc/97/33/39/570973339.db2.gz ZQBBPBMHIAYIIW-KRWDZBQOSA-N -1 0 389.448 3.274 50 0 biogenic GGAARM Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NCCC(=O)[O-])oc1c3CCCC1 ZINC000002157172 570973405 /nfs/dbraw/zinc/97/34/05/570973405.db2.gz FHJNWRVBBJDQJC-UHFFFAOYSA-N -1 0 397.427 3.250 50 0 biogenic GGAARM Cc1coc2cc3oc(=O)c(CC(=O)NCCCCCC(=O)[O-])c(C)c3cc12 ZINC000002155809 570973561 /nfs/dbraw/zinc/97/35/61/570973561.db2.gz FINVULOFGDQRSW-UHFFFAOYSA-N -1 0 385.416 3.460 50 0 biogenic GGAARM C[C@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(c3ccccc3C(=O)[O-])C(=O)N21 ZINC000008490344 570975767 /nfs/dbraw/zinc/97/57/67/570975767.db2.gz AJQRWQROQKHODQ-APPDUMDISA-N -1 0 375.384 3.321 50 0 GGAARM O=C([O-])c1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O ZINC000004599140 570983010 /nfs/dbraw/zinc/98/30/10/570983010.db2.gz RGRFEPRNSJRTHK-UHFFFAOYSA-N -1 0 386.363 3.438 50 0 GGAARM O=C([O-])C[C@@]1(O)CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000725240730 570995304 /nfs/dbraw/zinc/99/53/04/570995304.db2.gz ZFORXGLBDIREBB-QFIPXVFZSA-N -1 0 381.428 3.237 50 0 GGAARM Cc1ccc(N2[N-]C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000004982628 571039316 /nfs/dbraw/zinc/03/93/16/571039316.db2.gz PIIWUSRRZLIJNR-UYRXBGFRSA-N -1 0 388.383 3.155 50 0 GGAARM Cc1ccccc1C(=O)Nc1cccc(-c2nnc(SCC(=O)[O-])n2C)c1 ZINC000002353657 1398307881 /nfs/dbraw/zinc/30/78/81/1398307881.db2.gz OPLZXSCNNNCGMZ-UHFFFAOYSA-N -1 0 382.445 3.220 50 0 GGAARM O=C([O-])[C@H](Cc1ccncn1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002383293 1398309042 /nfs/dbraw/zinc/30/90/42/1398309042.db2.gz XIIRNDKJGHFBNS-FQEVSTJZSA-N -1 0 389.411 3.011 50 0 GGAARM CCn1ncc(S(=O)(=O)[N-]c2cnn(Cc3ccc(F)cc3Cl)c2)c1C ZINC000002804921 1398319551 /nfs/dbraw/zinc/31/95/51/1398319551.db2.gz SMPACZAEKOZNLV-UHFFFAOYSA-N -1 0 397.863 3.050 50 0 GGAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1 ZINC000004810252 1398403921 /nfs/dbraw/zinc/40/39/21/1398403921.db2.gz ZAXMGUJWDUXQID-RBUKOAKNSA-N -1 0 380.444 3.446 50 0 GGAARM CCOc1ccc(NC(CC)=C2C(=O)[N-]C(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000008968568 1398850807 /nfs/dbraw/zinc/85/08/07/1398850807.db2.gz DNKGWHOPBHJAQB-VHEBQXMUSA-N -1 0 393.443 3.440 50 0 GGAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N1c1ccc(F)cc1 ZINC000008997138 1398851568 /nfs/dbraw/zinc/85/15/68/1398851568.db2.gz SSWBPOGUYBIMJC-UTKZUKDTSA-N -1 0 379.391 3.460 50 0 GGAARM CS(=O)(=O)[N-]c1nc2ccc(C(=O)Nc3ccc4[nH]ccc4c3)cc2s1 ZINC000008992058 1398851602 /nfs/dbraw/zinc/85/16/02/1398851602.db2.gz MCLSETXWUSLXHR-UHFFFAOYSA-N -1 0 386.458 3.401 50 0 GGAARM COc1ccc(N2C(=O)[N-]C(=O)[C@@]3(Cc4cc(C)ccc4N(C)C3)C2=O)cc1 ZINC000009009885 1398851649 /nfs/dbraw/zinc/85/16/49/1398851649.db2.gz LTFIUCRPPFFKFI-NRFANRHFSA-N -1 0 379.416 3.106 50 0 GGAARM CCOc1ccc(NC(C)=C2C(=O)[N-]C(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000009244371 1398855653 /nfs/dbraw/zinc/85/56/53/1398855653.db2.gz CNZNMDKGGWKQRK-JXAWBTAJSA-N -1 0 379.416 3.363 50 0 GGAARM Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000009245392 1398855690 /nfs/dbraw/zinc/85/56/90/1398855690.db2.gz ZXQHGQWZEWGNBA-NRFANRHFSA-N -1 0 397.862 3.219 50 0 GGAARM Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1 ZINC000011990517 1399023070 /nfs/dbraw/zinc/02/30/70/1399023070.db2.gz FYRPWSDSLARHOF-UHFFFAOYSA-N -1 0 396.472 3.157 50 0 GGAARM Cc1coc2cc3oc(=O)c(CC(=O)N4CCC[C@@H](C(=O)[O-])C4)c(C)c3cc12 ZINC000012895482 1399064547 /nfs/dbraw/zinc/06/45/47/1399064547.db2.gz HMYAOGSSDHMCLH-CYBMUJFWSA-N -1 0 383.400 3.022 50 0 biogenic GGAARM CCN1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(Cl)cc2)CC1 ZINC000022458835 1399465782 /nfs/dbraw/zinc/46/57/82/1399465782.db2.gz BTIVDEJBYPHZLT-OAHLLOKOSA-N -1 0 391.928 3.185 50 0 GGAARM CCc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022577827 1399479260 /nfs/dbraw/zinc/47/92/60/1399479260.db2.gz LTOHDAHGZQFGDK-HNNXBMFYSA-N -1 0 391.928 3.049 50 0 GGAARM COc1ccc(C(=O)CSC2=NC(=O)C(Cc3ccccc3)C([O-])=N2)cc1 ZINC000059294665 1407917637 /nfs/dbraw/zinc/91/76/37/1407917637.db2.gz JEIXPGMDGZMTNB-UHFFFAOYSA-N -1 0 382.441 3.050 50 0 GGAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)[C@@H](C)Oc1cccc(C(F)(F)F)c1 ZINC000065491262 1408678149 /nfs/dbraw/zinc/67/81/49/1408678149.db2.gz YJOMQIYEUYXIIX-LLVKDONJSA-N -1 0 385.342 3.009 50 0 GGAARM COc1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])C3(C)C)cc2)cc1 ZINC000071280210 1409823110 /nfs/dbraw/zinc/82/31/10/1409823110.db2.gz FPHASLRBCOCHIU-IRXDYDNUSA-N -1 0 382.416 3.243 50 0 GGAARM COCc1cc(=O)n2[n-]c(Cc3ccccc3)c(-c3ccc(OC)cc3)c2n1 ZINC000105599726 1411090998 /nfs/dbraw/zinc/09/09/98/1411090998.db2.gz ZIJBJNWPFIPAHZ-UHFFFAOYSA-N -1 0 375.428 3.435 50 0 GGAARM O=C(Nc1nnn[n-]1)c1cc(-c2cccc(Br)c2)nc2ccccc21 ZINC000002736330 1424059742 /nfs/dbraw/zinc/05/97/42/1424059742.db2.gz LDUXEQOHYUHAIA-UHFFFAOYSA-N -1 0 395.220 3.430 50 0 GGAARM O=C(c1ccccc1-c1nn[n-]n1)N1CCC[C@H](CCc2ccccc2F)C1 ZINC000071415741 1424401565 /nfs/dbraw/zinc/40/15/65/1424401565.db2.gz JEIWKDRDJMCFDM-OAHLLOKOSA-N -1 0 379.439 3.491 50 0 GGAARM O=C(c1ccccc1-c1nn[n-]n1)N1CCCC[C@H]1CCc1cccc(O)c1 ZINC000077554816 1424466585 /nfs/dbraw/zinc/46/65/85/1424466585.db2.gz ZVMWMOXBPXFCRM-INIZCTEOSA-N -1 0 377.448 3.200 50 0 GGAARM COc1ccc(NC(=O)C[C@H](c2ccccc2)n2cccc2)cc1-c1nn[n-]n1 ZINC000253407221 1424542213 /nfs/dbraw/zinc/54/22/13/1424542213.db2.gz JQVLATWWYCVFKF-GOSISDBHSA-N -1 0 388.431 3.295 50 0 GGAARM Cc1cc(C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c2ccc(F)cc2n1 ZINC000082156732 1424716083 /nfs/dbraw/zinc/71/60/83/1424716083.db2.gz IMJSBIZCFROCMP-UHFFFAOYSA-N -1 0 376.395 3.135 50 0 GGAARM Cc1ccc(OC[C@H]2CCCN(C(=O)c3ccccc3-c3nn[n-]n3)C2)cc1 ZINC000072421306 1424727868 /nfs/dbraw/zinc/72/78/68/1424727868.db2.gz YQSPOJCJKRPUGD-INIZCTEOSA-N -1 0 377.448 3.106 50 0 GGAARM CC(=O)c1cn(CCC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c2ccccc12 ZINC000206412417 1433353712 /nfs/dbraw/zinc/35/37/12/1433353712.db2.gz ZNUSRNITTUOLSF-LJQANCHMSA-N -1 0 378.428 3.046 50 0 GGAARM CC(C)C[C@@H](NC(=O)CCn1ccc2c1cccc2Br)C(=O)[O-] ZINC000206414170 1433353756 /nfs/dbraw/zinc/35/37/56/1433353756.db2.gz VWIBIQIMAOQNQH-CQSZACIVSA-N -1 0 381.270 3.409 50 0 GGAARM O=C([O-])CSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2s1 ZINC000002930595 230827395 /nfs/dbraw/zinc/82/73/95/230827395.db2.gz VZTDFPITEHSIGM-GHMZBOCLSA-N -1 0 376.459 3.153 50 0 GGAARM COc1cccc(-c2cc(C(F)(F)F)nc(N3CCC[C@H](C(=O)[O-])C3)n2)c1 ZINC000012357718 230878025 /nfs/dbraw/zinc/87/80/25/230878025.db2.gz PNUXAUKXEVPEBB-LBPRGKRZSA-N -1 0 381.354 3.472 50 0 GGAARM Cc1cnn(CCC(=O)N2C[C@@H]3C[C@@H](c4ccccc4)CC[C@]3(C(=O)[O-])C2)c1 ZINC000426378251 231209688 /nfs/dbraw/zinc/20/96/88/231209688.db2.gz URWXPGBLQLETIX-IPJJNNNSSA-N -1 0 381.476 3.079 50 0 GGAARM O=C([O-])c1cnc(-c2cccc(C(=O)N3CCO[C@@H](C4CC4)C3)c2)c(Cl)c1 ZINC000426493971 231228691 /nfs/dbraw/zinc/22/86/91/231228691.db2.gz GSMDRDFJEZBAQR-QGZVFWFLSA-N -1 0 386.835 3.351 50 0 GGAARM COc1cc(C(=O)[O-])cc(C(=O)N(Cc2ccsc2)C[C@@H]2CCCO2)c1 ZINC000426511794 231233002 /nfs/dbraw/zinc/23/30/02/231233002.db2.gz SVKYNOSWYMFJQH-INIZCTEOSA-N -1 0 375.446 3.276 50 0 GGAARM O=C([O-])[C@@]12CN(C(=O)CCCn3cccn3)C[C@@H]1C[C@@H](c1ccccc1)CC2 ZINC000426510032 231233032 /nfs/dbraw/zinc/23/30/32/231233032.db2.gz HBCNYYHBOVJGNI-IPJJNNNSSA-N -1 0 381.476 3.160 50 0 GGAARM Cc1ccc(C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)CC[C@]3(C(=O)[O-])C2)c(=O)[nH]1 ZINC000426651259 231249173 /nfs/dbraw/zinc/24/91/73/231249173.db2.gz HYPSWCSGVQLFMZ-HOIFWPIMSA-N -1 0 380.444 3.206 50 0 GGAARM COc1ccc(Nc2nc(N3CCC(Cc4ccccc4)CC3)nc(=O)[n-]2)cc1 ZINC000018033925 210213036 /nfs/dbraw/zinc/21/30/36/210213036.db2.gz FOPGJOURVCVFPT-UHFFFAOYSA-N -1 0 391.475 3.376 50 0 GGAARM O=C([O-])c1ccccc1NC(=O)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 ZINC000017987842 210212008 /nfs/dbraw/zinc/21/20/08/210212008.db2.gz XDMHCXLGYRKVNG-HOTGVXAUSA-N -1 0 390.395 3.093 50 0 GGAARM O=c1cc(CSc2nnnn2-c2ccccc2)[n-]n1-c1ccc(Cl)cc1 ZINC000017879199 210211486 /nfs/dbraw/zinc/21/14/86/210211486.db2.gz RDQWSGNXRRPEJF-UHFFFAOYSA-N -1 0 384.852 3.087 50 0 GGAARM CCN1C(=O)Cc2cc([N-]S(=O)(=O)c3ccccc3Br)ccc21 ZINC000017289046 210208276 /nfs/dbraw/zinc/20/82/76/210208276.db2.gz PTHUADFRYBRZRJ-UHFFFAOYSA-N -1 0 395.278 3.159 50 0 GGAARM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(C)ccc3OC)ccc21 ZINC000017248134 210207870 /nfs/dbraw/zinc/20/78/70/210207870.db2.gz UZQNURXDABJIKT-UHFFFAOYSA-N -1 0 388.489 3.494 50 0 GGAARM CCC(Nc1ccc(F)cc1)=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000017207801 210207752 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394.481 3.490 50 0 GGAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1sccc1C(=O)N1CCCCC1 ZINC000017079688 210203354 /nfs/dbraw/zinc/20/33/54/210203354.db2.gz SUODQAYZEGIDAO-FPCDFSMTSA-N -1 0 390.505 3.450 50 0 GGAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1sccc1C(=O)NC1CCCC1 ZINC000017079668 210203238 /nfs/dbraw/zinc/20/32/38/210203238.db2.gz UPASAQBCVPZHFN-INCPQMAJSA-N -1 0 390.505 3.496 50 0 GGAARM NC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])sc2c1CCCCC2 ZINC000017079673 210202818 /nfs/dbraw/zinc/20/28/18/210202818.db2.gz UOTUSLWQGGSRGR-FWFPMQDGSA-N -1 0 390.505 3.191 50 0 GGAARM COC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)COCC(=O)[O-] ZINC000017079905 210202660 /nfs/dbraw/zinc/20/26/60/210202660.db2.gz GMLYFTVAQCURQQ-UHFFFAOYSA-N -1 0 391.445 3.365 50 0 GGAARM Cc1c(C(=O)[O-])sc2[nH]c(=S)n(NC(=O)c3ccc(C)c(C)c3)c(=O)c12 ZINC000017079476 210202501 /nfs/dbraw/zinc/20/25/01/210202501.db2.gz RCVOMYGJLUDGQM-UHFFFAOYSA-N -1 0 389.458 3.128 50 0 GGAARM 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377.201 3.468 50 0 GGAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000013320936 210056635 /nfs/dbraw/zinc/05/66/35/210056635.db2.gz QKJIRAHGDSYUCQ-ZIAGYGMSSA-N -1 0 383.275 3.309 50 0 GGAARM COc1cc(-c2cc(C(=O)[O-])c3c(cc(OC)c(OC)c3OC)n2)ccc1O ZINC000013123452 210052058 /nfs/dbraw/zinc/05/20/58/210052058.db2.gz NRTFIPAKZBISGF-UHFFFAOYSA-N -1 0 385.372 3.340 50 0 biogenic GGAARM COc1cc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)[O-])cc(OC)c1OC ZINC000013124942 210051524 /nfs/dbraw/zinc/05/15/24/210051524.db2.gz JEOGKQLXQDOWHX-RIYZIHGNSA-N -1 0 391.807 3.221 50 0 GGAARM CCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000011566067 209875664 /nfs/dbraw/zinc/87/56/64/209875664.db2.gz LYNGFMONAJIVCD-UHFFFAOYSA-N -1 0 383.510 3.393 50 0 GGAARM O=C([O-])c1cccc(NC(=O)COc2ccc(I)cc2)c1 ZINC000009581535 209835557 /nfs/dbraw/zinc/83/55/57/209835557.db2.gz IDFZNONGOKQIKP-UHFFFAOYSA-N -1 0 397.168 3.007 50 0 GGAARM O=C([O-])CCC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)CC(c1ccccc1)=N2 ZINC000009233166 209819652 /nfs/dbraw/zinc/81/96/52/209819652.db2.gz VGHOBLSMDZQTJI-QGZVFWFLSA-N -1 0 389.415 3.137 50 0 GGAARM CN1c2ccccc2C([O-])=C(C(=O)Nc2cccc(C(F)(F)F)c2)S1(=O)=O ZINC000006002640 209626377 /nfs/dbraw/zinc/62/63/77/209626377.db2.gz QSMDIKAMOLVVKO-UHFFFAOYSA-N -1 0 398.362 3.350 50 0 GGAARM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)c2cc(Cl)ccc2O1 ZINC000005763566 209614357 /nfs/dbraw/zinc/61/43/57/209614357.db2.gz UDSPQMHSLVUDLL-CQSZACIVSA-N -1 0 388.228 3.034 50 0 GGAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)c1C ZINC000005332470 209588134 /nfs/dbraw/zinc/58/81/34/209588134.db2.gz ZNHSIAZWVGLVII-UHFFFAOYSA-N -1 0 377.447 3.406 50 0 GGAARM COc1cccc(/C=C/c2ccnc([N-]S(=O)(=O)c3ccc(N)cc3)n2)c1 ZINC000005127685 209572361 /nfs/dbraw/zinc/57/23/61/209572361.db2.gz HGIGYEKMADFOQD-VMPITWQZSA-N -1 0 382.445 3.039 50 0 GGAARM CC[C@H](C)[C@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000005102984 209571286 /nfs/dbraw/zinc/57/12/86/209571286.db2.gz AQDQXSSXSIVYML-UWGGIXMXSA-N -1 0 394.471 3.381 50 0 GGAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)c1ccccc1 ZINC000005074099 209567134 /nfs/dbraw/zinc/56/71/34/209567134.db2.gz FIUJJLVCDCAELT-HXUWFJFHSA-N -1 0 388.423 3.365 50 0 GGAARM CC(C)C[C@H](NC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1)C(=O)[O-] ZINC000004843893 209532438 /nfs/dbraw/zinc/53/24/38/209532438.db2.gz HQBCXVGGIVSACI-LJLZWOEMSA-N -1 0 398.434 3.212 50 0 GGAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)cc1Cl ZINC000004809410 209525859 /nfs/dbraw/zinc/52/58/59/209525859.db2.gz QOZTVSTYIBXBRO-UHFFFAOYSA-N -1 0 394.880 3.385 50 0 GGAARM CC(C)C[C@H](C(=O)[O-])N1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000004725277 209516493 /nfs/dbraw/zinc/51/64/93/209516493.db2.gz PGJVHPHCIWSPOX-QVDLRHOJSA-N -1 0 389.451 3.378 50 0 GGAARM O=C(NCCc1ccccc1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000004677602 209509669 /nfs/dbraw/zinc/50/96/69/209509669.db2.gz DHFVFCGCGAIUTK-UHFFFAOYSA-N -1 0 380.469 3.460 50 0 GGAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1 ZINC000004593302 209501376 /nfs/dbraw/zinc/50/13/76/209501376.db2.gz AGGDPCJHMXJUPP-GOSISDBHSA-N -1 0 384.432 3.236 50 0 GGAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccccc2Br)cc1 ZINC000004580560 209499137 /nfs/dbraw/zinc/49/91/37/209499137.db2.gz HTZYJYDKNMXLSZ-OAHLLOKOSA-N -1 0 378.222 3.404 50 0 GGAARM O=c1c2[n-][nH]n(Cc3cccc(Cl)c3)c=2c(=O)n1-c1ccc(Cl)cc1 ZINC000004483666 209489613 /nfs/dbraw/zinc/48/96/13/209489613.db2.gz OTEGVCUJSYNQQJ-CABCVRRESA-N -1 0 375.215 3.487 50 0 GGAARM O=C([O-])c1ccccc1C(=O)N1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC000004299558 209477161 /nfs/dbraw/zinc/47/71/61/209477161.db2.gz DKHUOGHSRRBYDF-UHFFFAOYSA-N -1 0 393.365 3.151 50 0 GGAARM O=C([N-]S(=O)(=O)N1CCCCC1)N1c2ccccc2CCc2ccccc21 ZINC000004108444 209465085 /nfs/dbraw/zinc/46/50/85/209465085.db2.gz AFQWANRBIJJZMH-UHFFFAOYSA-N -1 0 385.489 3.364 50 0 GGAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)COc2cc(C)ccc2C)cc1OC ZINC000003626811 209448586 /nfs/dbraw/zinc/44/85/86/209448586.db2.gz AVBYSDWWDHLWOY-INIZCTEOSA-N -1 0 387.432 3.032 50 0 GGAARM CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(OC)cc2OC)cc1 ZINC000003623751 209448303 /nfs/dbraw/zinc/44/83/03/209448303.db2.gz YHLTXFOBVQPZDH-GOSISDBHSA-N -1 0 387.432 3.438 50 0 GGAARM CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)COc2ccccc2OC)cc1 ZINC000003623489 209448383 /nfs/dbraw/zinc/44/83/83/209448383.db2.gz YUDXUUAKOQELSB-KRWDZBQOSA-N -1 0 387.432 3.195 50 0 GGAARM O=C([O-])CCCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1Cl ZINC000002980105 209403643 /nfs/dbraw/zinc/40/36/43/209403643.db2.gz PQKJZZRDLZQHSY-LGMDPLHJSA-N -1 0 386.835 3.092 50 0 GGAARM COc1ccc(/C=C(\NC(=O)c2ccccc2Br)C(=O)[O-])cc1 ZINC000002921670 209398897 /nfs/dbraw/zinc/39/88/97/209398897.db2.gz WKQOEQYHSUTBDL-GDNBJRDFSA-N -1 0 376.206 3.313 50 0 GGAARM COc1cc([N-]S(=O)(=O)c2cc(F)ccc2OC)c(OC)cc1Cl ZINC000002882171 209395314 /nfs/dbraw/zinc/39/53/14/209395314.db2.gz JLRCYIIBDXYVAT-UHFFFAOYSA-N -1 0 375.805 3.306 50 0 GGAARM CCCCOc1ccc(C(=O)N/C(=C/c2ccc3c(c2)OCO3)C(=O)[O-])cc1 ZINC000002898884 209394835 /nfs/dbraw/zinc/39/48/35/209394835.db2.gz WOYOXJRUQSOGAN-GZTJUZNOSA-N -1 0 383.400 3.450 50 0 GGAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000002804562 209388697 /nfs/dbraw/zinc/38/86/97/209388697.db2.gz NAMKXUAXZPOKAO-UHFFFAOYSA-N -1 0 393.900 3.342 50 0 GGAARM O=C([O-])c1nc2nc(-c3ccc(F)cc3)cc(C(F)(F)C(F)(F)F)n2n1 ZINC000002800116 209386427 /nfs/dbraw/zinc/38/64/27/209386427.db2.gz JQVCSONCMRVRTM-UHFFFAOYSA-N -1 0 376.216 3.283 50 0 GGAARM COc1ccc(-c2cc(C(F)F)nc(N3CCC(C(=O)[O-])CC3)n2)cc1OC ZINC000002554254 209369853 /nfs/dbraw/zinc/36/98/53/209369853.db2.gz AVAISGAUYNOMTP-UHFFFAOYSA-N -1 0 393.390 3.399 50 0 GGAARM O=C([O-])CCC(=O)Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 ZINC000002469933 209367040 /nfs/dbraw/zinc/36/70/40/209367040.db2.gz TYYZMSIQRPQFPP-UHFFFAOYSA-N -1 0 387.399 3.262 50 0 GGAARM COC(=O)c1c(-c2ccco2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000002486649 209366559 /nfs/dbraw/zinc/36/65/59/209366559.db2.gz YAWARYLQJLDONP-GHMZBOCLSA-N -1 0 375.402 3.400 50 0 GGAARM COC(=O)c1c(-c2ccco2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000002486651 209366378 /nfs/dbraw/zinc/36/63/78/209366378.db2.gz YAWARYLQJLDONP-MNOVXSKESA-N -1 0 375.402 3.400 50 0 GGAARM Cc1ccc(S(=O)(=O)[N-]c2ncn(Cc3ccc(F)cc3Cl)n2)cc1 ZINC000002781078 209383952 /nfs/dbraw/zinc/38/39/52/209383952.db2.gz WNSDVZJWEIWOPX-UHFFFAOYSA-N -1 0 380.832 3.228 50 0 GGAARM O=S(=O)([N-]c1ncn(Cc2cccc(F)c2)n1)c1ccc2ccccc2c1 ZINC000002775156 209383376 /nfs/dbraw/zinc/38/33/76/209383376.db2.gz OEIYLYBELJMHFO-UHFFFAOYSA-N -1 0 382.420 3.420 50 0 GGAARM COc1ccc(S(=O)(=O)[N-]c2cnn(Cc3ccc(Cl)cc3)c2)cc1 ZINC000002761737 209382699 /nfs/dbraw/zinc/38/26/99/209382699.db2.gz XMUBAPDMBYTWBR-UHFFFAOYSA-N -1 0 377.853 3.394 50 0 GGAARM COCCCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000002603928 209371738 /nfs/dbraw/zinc/37/17/38/209371738.db2.gz MBGBCCLPAZTXNO-UHFFFAOYSA-N -1 0 390.440 3.018 50 0 GGAARM CCCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(CCC)cc(=O)oc2c1)C(=O)[O-] ZINC000002153264 209348426 /nfs/dbraw/zinc/34/84/26/209348426.db2.gz QOMGFEQIZGTBER-DYVFJYSZSA-N -1 0 389.448 3.272 50 0 biogenic GGAARM Cc1ccc(/C=C(\NC(=O)c2ccccc2I)C(=O)[O-])o1 ZINC000002353888 209358916 /nfs/dbraw/zinc/35/89/16/209358916.db2.gz KRMPLBZEBHBAKQ-JYRVWZFOSA-N -1 0 397.168 3.048 50 0 GGAARM CCOc1cc(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)ccc1OC ZINC000002365459 209358567 /nfs/dbraw/zinc/35/85/67/209358567.db2.gz FNJBPTWDOLVMDZ-UHFFFAOYSA-N -1 0 386.448 3.241 50 0 GGAARM Cc1ccccc1OCc1nc2ccccc2c(=O)n1[N-]C(=O)c1ccco1 ZINC000002337805 209357423 /nfs/dbraw/zinc/35/74/23/209357423.db2.gz WHKWPKMESRYTPV-UHFFFAOYSA-N -1 0 375.384 3.261 50 0 GGAARM Cc1ccccc1NC(=O)CSC1=NC(=O)C(Cc2ccccc2)C([O-])=N1 ZINC000002288696 209355139 /nfs/dbraw/zinc/35/51/39/209355139.db2.gz PDXCERVETFFLIU-UHFFFAOYSA-N -1 0 381.457 3.106 50 0 GGAARM O=C([O-])/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1 ZINC000002288255 209354216 /nfs/dbraw/zinc/35/42/16/209354216.db2.gz OCRPDAKFWLZTSU-NTUHNPAUSA-N -1 0 390.189 3.033 50 0 GGAARM CCCCCCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 ZINC000002275954 209353777 /nfs/dbraw/zinc/35/37/77/209353777.db2.gz MSYMCKKOULUOPV-UHFFFAOYSA-N -1 0 389.471 3.171 50 0 GGAARM CCOC(=O)c1c(N)n(-c2cccc(C(=O)[O-])c2)c2nc3ccccc3nc21 ZINC000002255705 209352990 /nfs/dbraw/zinc/35/29/90/209352990.db2.gz RTLDFFWOUUACSQ-UHFFFAOYSA-N -1 0 376.372 3.031 50 0 GGAARM Cc1nn(-c2ccccc2)c2c1cc1c(=O)[n-]c(=O)nc-1n2-c1cccc(C)c1C ZINC000002256729 209353057 /nfs/dbraw/zinc/35/30/57/209353057.db2.gz TWCMMDYFHNLAHJ-UHFFFAOYSA-N -1 0 397.438 3.290 50 0 aggregator GGAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(SCC(=O)[O-])o1 ZINC000002213374 209350529 /nfs/dbraw/zinc/35/05/29/209350529.db2.gz GECDNJNYMZBVBU-LBPRGKRZSA-N -1 0 379.438 3.055 50 0 aggregator GGAARM COC(=O)c1[nH]c2ccc(F)cc2c1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000002196506 209349967 /nfs/dbraw/zinc/34/99/67/209349967.db2.gz OARHZVIRWWHQCE-UHFFFAOYSA-N -1 0 380.372 3.342 50 0 GGAARM CO[C@@](F)(C(=O)Nc1ccc(C)c(Br)c1C(=O)[O-])C(F)(F)F ZINC000002192071 209349532 /nfs/dbraw/zinc/34/95/32/209349532.db2.gz SYEXGYIUACTDDW-NSHDSACASA-N -1 0 388.111 3.269 50 0 GGAARM CCCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(CCC)cc(=O)oc2c1)C(=O)[O-] ZINC000002153269 209348823 /nfs/dbraw/zinc/34/88/23/209348823.db2.gz QOMGFEQIZGTBER-GUYCJALGSA-N -1 0 389.448 3.272 50 0 biogenic GGAARM Cc1c2cc3c(cc2oc(=O)c1CC(=O)NCCCC(=O)[O-])oc1c3CCCC1 ZINC000002102162 209347180 /nfs/dbraw/zinc/34/71/80/209347180.db2.gz SUBAKMGAOLONKM-UHFFFAOYSA-N -1 0 397.427 3.250 50 0 biogenic GGAARM Cc1oc2c(cc3c(C)c(CCC(=O)N(C)CC(=O)[O-])c(=O)oc3c2C)c1C ZINC000002107542 209347226 /nfs/dbraw/zinc/34/72/26/209347226.db2.gz XCCSNJUXMUCEAR-UHFFFAOYSA-N -1 0 385.416 3.248 50 0 biogenic GGAARM Cc1oc2c(cc3c(C)c(CCC(=O)NCCC(=O)[O-])c(=O)oc3c2C)c1C ZINC000002098948 209346335 /nfs/dbraw/zinc/34/63/35/209346335.db2.gz SREGGAPPVDOSBL-UHFFFAOYSA-N -1 0 385.416 3.296 50 0 biogenic GGAARM CCCC[C@H](NC(=O)[C@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-] ZINC000002098076 209345966 /nfs/dbraw/zinc/34/59/66/209345966.db2.gz UIAFHEIBYFAFLF-HOCLYGCPSA-N -1 0 389.448 3.245 50 0 biogenic GGAARM CCCCCCc1c(C)c2ccc(OCC(=O)NCC(=O)[O-])c(C)c2oc1=O ZINC000002096868 209345768 /nfs/dbraw/zinc/34/57/68/209345768.db2.gz YHYUWKKFUZDVIS-UHFFFAOYSA-N -1 0 389.448 3.112 50 0 biogenic GGAARM CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@@H](CCC)C(=O)[O-])ccc12 ZINC000002098357 209345694 /nfs/dbraw/zinc/34/56/94/209345694.db2.gz FCDWTWTWEDBVBX-CJNGLKHVSA-N -1 0 389.448 3.191 50 0 biogenic GGAARM CCCCCCc1c(C)c2ccc(O[C@@H](C)C(=O)NCC(=O)[O-])cc2oc1=O ZINC000002100545 209345731 /nfs/dbraw/zinc/34/57/31/209345731.db2.gz OPTNZIZLTOXTTL-AWEZNQCLSA-N -1 0 389.448 3.192 50 0 biogenic GGAARM CSc1nnc2c(n1)O[C@@H](c1ccccc1OCC(=O)[O-])Nc1ccccc1-2 ZINC000001514901 209332036 /nfs/dbraw/zinc/33/20/36/209332036.db2.gz LOYVMKNCYVUVJI-KRWDZBQOSA-N -1 0 396.428 3.227 50 0 GGAARM CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000001926385 209342762 /nfs/dbraw/zinc/34/27/62/209342762.db2.gz FXIPIVALMZSSDF-UHFFFAOYSA-N -1 0 396.424 3.319 50 0 GGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)n1 ZINC000001407747 209326701 /nfs/dbraw/zinc/32/67/01/209326701.db2.gz KXSNPETUEOQNBS-UHFFFAOYSA-N -1 0 383.433 3.230 50 0 GGAARM O=S(=O)([N-]c1nnc(C(F)(F)F)s1)c1cccc(C(F)(F)F)c1 ZINC000001400927 209326132 /nfs/dbraw/zinc/32/61/32/209326132.db2.gz JIEQGKOXHGRTFO-UHFFFAOYSA-N -1 0 377.291 3.377 50 0 GGAARM O=C1c2ccccc2N[C@H](c2ccccc2F)N1[N-]S(=O)(=O)c1ccccc1 ZINC000001441628 209328180 /nfs/dbraw/zinc/32/81/80/209328180.db2.gz LMGHOLPHLFEJFE-IBGZPJMESA-N -1 0 397.431 3.286 50 0 GGAARM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc3c(c2)COC3=O)o1 ZINC000001167129 209308639 /nfs/dbraw/zinc/30/86/39/209308639.db2.gz IQEIDLMNDGCJGX-WOJGMQOQSA-N -1 0 386.363 3.078 50 0 GGAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000001152794 209307945 /nfs/dbraw/zinc/30/79/45/209307945.db2.gz XCOYCWHOIHBMCP-UHFFFAOYSA-N -1 0 396.468 3.426 50 0 GGAARM CCOC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c([O-])c(Cl)c2)C1=O ZINC000001146928 209306526 /nfs/dbraw/zinc/30/65/26/209306526.db2.gz CQTRTEGNXTVKEE-YHYXMXQVSA-N -1 0 376.217 3.298 50 0 GGAARM O=C([O-])c1ccc(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 ZINC000001109269 209300561 /nfs/dbraw/zinc/30/05/61/209300561.db2.gz RQVXFYPYQJDMNE-UHFFFAOYSA-N -1 0 375.336 3.005 50 0 GGAARM Cn1c(C(=O)[O-])ccc1S(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000001029760 209290703 /nfs/dbraw/zinc/29/07/03/209290703.db2.gz DTTYOQXDWZNRKM-UHFFFAOYSA-N -1 0 384.457 3.114 50 0 GGAARM CC(C)(CC(=O)[O-])CC(=O)N1CCCN(c2c(Cl)cncc2Cl)CC1 ZINC000001032543 209290682 /nfs/dbraw/zinc/29/06/82/209290682.db2.gz XJEJXTHBTQROKZ-UHFFFAOYSA-N -1 0 388.295 3.318 50 0 GGAARM COC(=O)C1=C(Nc2ccccc2NC(=O)c2ccccc2C(=O)[O-])CSC1 ZINC000001032502 209290100 /nfs/dbraw/zinc/29/01/00/209290100.db2.gz HSJSHDCXJDEMFE-UHFFFAOYSA-N -1 0 398.440 3.223 50 0 GGAARM Cc1sc2ncn(CC(=O)[O-])c(=O)c2c1-c1ccc(Br)cc1 ZINC000000958733 209283732 /nfs/dbraw/zinc/28/37/32/209283732.db2.gz GHPPMMYZMWQTMO-UHFFFAOYSA-N -1 0 379.235 3.281 50 0 GGAARM O=C([O-])c1ccc(NC2=C(Cl)C(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000000946359 209282157 /nfs/dbraw/zinc/28/21/57/209282157.db2.gz QLKKBNNGBQVGJG-UHFFFAOYSA-N -1 0 377.183 3.474 50 0 GGAARM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)cc1C ZINC000000917327 209279471 /nfs/dbraw/zinc/27/94/71/209279471.db2.gz GSBDUBXJLASWFA-UHFFFAOYSA-N -1 0 382.445 3.147 50 0 GGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3)C2)cc1OC ZINC000000890331 209276474 /nfs/dbraw/zinc/27/64/74/209276474.db2.gz XHPHNVAKFRSOOF-KRWDZBQOSA-N -1 0 382.416 3.246 50 0 GGAARM COc1cccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)[O-])c1OC ZINC000000868455 209274995 /nfs/dbraw/zinc/27/49/95/209274995.db2.gz USJNZYIMVNTDHS-KRWDZBQOSA-N -1 0 382.416 3.246 50 0 GGAARM COc1cccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)[O-])c1OC ZINC000000868454 209274816 /nfs/dbraw/zinc/27/48/16/209274816.db2.gz USJNZYIMVNTDHS-QGZVFWFLSA-N -1 0 382.416 3.246 50 0 GGAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(Cl)cn1 ZINC000000863566 209272747 /nfs/dbraw/zinc/27/27/47/209272747.db2.gz SVLACVXPOZUJCJ-UHFFFAOYSA-N -1 0 377.647 3.307 50 0 GGAARM CCCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)CC)ccc2[O-])cc1 ZINC000000846818 209271479 /nfs/dbraw/zinc/27/14/79/209271479.db2.gz BHSDFNVOXBDUAC-UHFFFAOYSA-N -1 0 377.462 3.156 50 0 GGAARM COc1cc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c(OC)cc1Cl ZINC000000820293 209269538 /nfs/dbraw/zinc/26/95/38/209269538.db2.gz LLBJKSCLZGICBN-UHFFFAOYSA-N -1 0 384.841 3.116 50 0 GGAARM O=C([O-])c1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC000000823216 209269806 /nfs/dbraw/zinc/26/98/06/209269806.db2.gz VFQDWXIPNIMONQ-UHFFFAOYSA-N -1 0 396.424 3.438 50 0 GGAARM O=C([O-])c1cccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)c1 ZINC000000811314 209267830 /nfs/dbraw/zinc/26/78/30/209267830.db2.gz KNSDGMWRIIDMLX-QGOAFFKASA-N -1 0 376.368 3.387 50 0 GGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(F)c(F)c1 ZINC000000796098 209266553 /nfs/dbraw/zinc/26/65/53/209266553.db2.gz CIQUIPLBXFWBPQ-UHFFFAOYSA-N -1 0 395.412 3.474 50 0 GGAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@@H](c3ccco3)C2)cc1OC ZINC000000801909 209266397 /nfs/dbraw/zinc/26/63/97/209266397.db2.gz OQMRCSQVEQEXHL-OAHLLOKOSA-N -1 0 386.404 3.229 50 0 GGAARM O=C([O-])CCCC(=O)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000000781949 209265491 /nfs/dbraw/zinc/26/54/91/209265491.db2.gz PKRFRRKXACIAGA-UHFFFAOYSA-N -1 0 381.472 3.416 50 0 GGAARM COc1ccc(OC)c([C@H]2CC(c3c([O-])cc(C)oc3=O)=NCCS2)c1 ZINC000000754312 209263720 /nfs/dbraw/zinc/26/37/20/209263720.db2.gz ICVAADACQUVRCK-QGZVFWFLSA-N -1 0 375.446 3.338 50 0 GGAARM COc1cccc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=NCCS2)c1OC ZINC000000754311 209263596 /nfs/dbraw/zinc/26/35/96/209263596.db2.gz NKJWVTRBKYQDNZ-INIZCTEOSA-N -1 0 375.446 3.338 50 0 GGAARM Cc1c(NC(=O)CC2(CC(=O)[O-])CCCCC2)c(=O)n(-c2ccccc2)n1C ZINC000000778631 209264124 /nfs/dbraw/zinc/26/41/24/209264124.db2.gz PDNFZGMOBNXFPP-UHFFFAOYSA-N -1 0 385.464 3.238 50 0 GGAARM CC(=O)Nc1c(Cl)cc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1Cl ZINC000000707588 209260683 /nfs/dbraw/zinc/26/06/83/209260683.db2.gz BIYZVKCAMFTSPE-UHFFFAOYSA-N -1 0 393.182 3.451 50 0 GGAARM O=C([O-])c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c1 ZINC000000692941 209260527 /nfs/dbraw/zinc/26/05/27/209260527.db2.gz NJAOKHJDOAKHFI-UHFFFAOYSA-N -1 0 390.351 3.026 50 0 GGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1F ZINC000000704420 209260269 /nfs/dbraw/zinc/26/02/69/209260269.db2.gz YCNXAHKLHTZJIF-UHFFFAOYSA-N -1 0 377.422 3.335 50 0 GGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)n1 ZINC000000675407 209257445 /nfs/dbraw/zinc/25/74/45/209257445.db2.gz QJYIVAFRCASQCE-UHFFFAOYSA-N -1 0 382.445 3.147 50 0 GGAARM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N[C@@H](C)CC)cc1 ZINC000000665481 209256610 /nfs/dbraw/zinc/25/66/10/209256610.db2.gz NBVFMPOWRMVMRD-AWEZNQCLSA-N -1 0 376.478 3.414 50 0 GGAARM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000000640029 209254120 /nfs/dbraw/zinc/25/41/20/209254120.db2.gz TXUVTFPGNZPKOR-ZDUSSCGKSA-N -1 0 392.477 3.033 50 0 GGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2OC)c1 ZINC000000644531 209254203 /nfs/dbraw/zinc/25/42/03/209254203.db2.gz UKCZYLVLWMRZNO-UHFFFAOYSA-N -1 0 387.841 3.175 50 0 GGAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000000627512 209252012 /nfs/dbraw/zinc/25/20/12/209252012.db2.gz JLLQRJMHANEIOZ-SJORKVTESA-N -1 0 380.444 3.446 50 0 GGAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000000627505 209251904 /nfs/dbraw/zinc/25/19/04/209251904.db2.gz JLLQRJMHANEIOZ-DLBZAZTESA-N -1 0 380.444 3.446 50 0 GGAARM CCN1c2cc([N-]S(=O)(=O)c3ccccc3F)ccc2OCC(C)(C)C1=O ZINC000009170466 209250391 /nfs/dbraw/zinc/25/03/91/209250391.db2.gz MWPVCFXSKQYHNF-UHFFFAOYSA-N -1 0 392.452 3.398 50 0 GGAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCC(C)(C)C(=O)N2 ZINC000009168813 209247706 /nfs/dbraw/zinc/24/77/06/209247706.db2.gz JRWREOLCWFLZNN-UHFFFAOYSA-N -1 0 390.461 3.162 50 0 GGAARM CCc1cc(-c2n[nH]cc2-c2ccc3c(c2)OCCO3)c(O)cc1OCC(=O)[O-] ZINC000003983897 209231250 /nfs/dbraw/zinc/23/12/50/209231250.db2.gz OWUNNUOISNKWGP-UHFFFAOYSA-N -1 0 396.399 3.246 50 0 biogenic GGAARM CCC[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)[O-] ZINC000002104219 209229749 /nfs/dbraw/zinc/22/97/49/209229749.db2.gz BQELEOPOQYXWBX-INIZCTEOSA-N -1 0 385.416 3.458 50 0 biogenic GGAARM COc1cccc(-c2nc(CC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)cs2)c1 ZINC000238937398 209212599 /nfs/dbraw/zinc/21/25/99/209212599.db2.gz VBSWPSMMYULNMM-HDJSIYSDSA-N -1 0 388.489 3.368 50 0 GGAARM CC(NCc1cccc(C)c1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2C)C1=O ZINC000006382700 212069944 /nfs/dbraw/zinc/06/99/44/212069944.db2.gz SSKKZRKOBPTOJA-KNTRCKAVSA-N -1 0 377.444 3.258 50 0 GGAARM CC(NCc1cccc(C)c1)=C1C(=O)[N-]C(=O)N(c2cccc(Cl)c2)C1=O ZINC000005885286 212066986 /nfs/dbraw/zinc/06/69/86/212066986.db2.gz ALZDZSLTEBEARB-GHRIWEEISA-N -1 0 383.835 3.295 50 0 GGAARM CC(NCc1ccc(F)cc1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2C)C1=O ZINC000005800582 212066691 /nfs/dbraw/zinc/06/66/91/212066691.db2.gz MJFHZZFYVRMPDP-NBVRZTHBSA-N -1 0 381.407 3.089 50 0 GGAARM CC(C)(C)OC(=O)N[C@@H](CCC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000299804075 212041285 /nfs/dbraw/zinc/04/12/85/212041285.db2.gz WZAKXPITWXCANP-AWEZNQCLSA-N -1 0 386.489 3.392 50 0 GGAARM C[C@H](CC(=O)[O-])[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]21C ZINC000257347742 212028140 /nfs/dbraw/zinc/02/81/40/212028140.db2.gz SHUYNJFEXPRUGR-URQJABKVSA-N -1 0 394.552 3.059 50 0 GGAARM Cc1nc2sc([C@@H](c3cccc(Cl)c3F)N3CCOCC3)c([O-])n2n1 ZINC000218480989 211761256 /nfs/dbraw/zinc/76/12/56/211761256.db2.gz QPJZCGOSIKHHIK-CYBMUJFWSA-N -1 0 382.848 3.019 50 0 GGAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000006480576 211624725 /nfs/dbraw/zinc/62/47/25/211624725.db2.gz WZOGFZOFQSYJHY-UHFFFAOYSA-N -1 0 390.280 3.488 50 0 GGAARM CC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])cc1 ZINC000004673248 211620568 /nfs/dbraw/zinc/62/05/68/211620568.db2.gz WCQZBXOIIKSXAM-UHFFFAOYSA-N -1 0 377.194 3.358 50 0 GGAARM COc1ccccc1OCC(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000004724592 211619153 /nfs/dbraw/zinc/61/91/53/211619153.db2.gz LJJYFWDQVABNPG-UHFFFAOYSA-N -1 0 380.194 3.173 50 0 GGAARM CC1(C)c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(c3ccccc3C(=O)[O-])C(=O)N21 ZINC000008236900 211593101 /nfs/dbraw/zinc/59/31/01/211593101.db2.gz GYQLQGLHLHUNQD-QGZVFWFLSA-N -1 0 389.411 3.495 50 0 GGAARM COc1ccc(NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)cc1OC ZINC000002971472 211518709 /nfs/dbraw/zinc/51/87/09/211518709.db2.gz PHIRALKALFBCDM-UHFFFAOYSA-N -1 0 385.445 3.105 50 0 GGAARM CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000002156030 211513185 /nfs/dbraw/zinc/51/31/85/211513185.db2.gz SVKUVJVFUWNETR-JMERFSKESA-N -1 0 389.448 3.128 50 0 biogenic GGAARM CC[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002102947 211513224 /nfs/dbraw/zinc/51/32/24/211513224.db2.gz RMNXDEAKRQVRFK-INIZCTEOSA-N -1 0 385.416 3.376 50 0 biogenic GGAARM CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000002148452 211513508 /nfs/dbraw/zinc/51/35/08/211513508.db2.gz GDLHEECSLQKGOI-FNFWKMNBSA-N -1 0 389.448 3.047 50 0 biogenic GGAARM CCOC(=O)c1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@H](C)C4)cc1 ZINC000170624667 211488102 /nfs/dbraw/zinc/48/81/02/211488102.db2.gz CWCZDJYGLMWJAP-GFCCVEGCSA-N -1 0 392.411 3.253 50 0 GGAARM O=C(Nc1ccc(F)cc1)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O ZINC000101301750 211399399 /nfs/dbraw/zinc/39/93/99/211399399.db2.gz QNRHQNIBNSFVQK-UHFFFAOYSA-N -1 0 375.359 3.483 50 0 GGAARM O=C1[C@@H]2ON=C(c3ccc(F)cc3)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000101344555 211398614 /nfs/dbraw/zinc/39/86/14/211398614.db2.gz YWNXZCYPYAJTCA-UKRRQHHQSA-N -1 0 379.174 3.425 50 0 GGAARM O=C1[C@H]2ON=C(c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(F)c(Cl)c1 ZINC000101359352 211398480 /nfs/dbraw/zinc/39/84/80/211398480.db2.gz USLQNDYHEGTRBN-ZFWWWQNUSA-N -1 0 379.174 3.425 50 0 GGAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C)c4)c=3c2=O)cc1Cl ZINC000101168581 211396614 /nfs/dbraw/zinc/39/66/14/211396614.db2.gz LOFJDGUDIWWKEU-IRXDYDNUSA-N -1 0 384.823 3.150 50 0 GGAARM O=c1c2[n-][nH]n(Cc3cccc(Cl)c3)c=2c(=O)n1-c1ccc(Cl)cc1 ZINC000101167765 211396389 /nfs/dbraw/zinc/39/63/89/211396389.db2.gz OTEGVCUJSYNQQJ-LSDHHAIUSA-N -1 0 375.215 3.487 50 0 GGAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4C)c=3c2=O)cc1Cl ZINC000101168564 211396173 /nfs/dbraw/zinc/39/61/73/211396173.db2.gz OAWWKFBUPKAJJY-DLBZAZTESA-N -1 0 384.823 3.150 50 0 GGAARM O=c1c2[n-][nH]n(Cc3ccc(F)cc3Cl)c=2c(=O)n1-c1ccc(F)cc1 ZINC000101167809 211395951 /nfs/dbraw/zinc/39/59/51/211395951.db2.gz FPQQRMPCYHTFSG-CABCVRRESA-N -1 0 376.750 3.112 50 0 GGAARM O=C1[C@@H]2CCCC[C@H]2C(=O)N1N=c1nc2c(c(C(F)(F)F)[n-]1)CCCCC2 ZINC000101000488 211395077 /nfs/dbraw/zinc/39/50/77/211395077.db2.gz AURZHSGPAXPGDR-GHMZBOCLSA-N -1 0 382.386 3.266 50 0 GGAARM O=C1[C@@H]2CCCC[C@@H]2C(=O)N1N=c1nc2c(c(C(F)(F)F)[n-]1)CCCCC2 ZINC000101000482 211394789 /nfs/dbraw/zinc/39/47/89/211394789.db2.gz AURZHSGPAXPGDR-PHIMTYICSA-N -1 0 382.386 3.266 50 0 GGAARM CC(=O)N1CCc2ccccc2[C@@H]1c1c(=O)[n-]c(=S)n(-c2ccccc2)c1O ZINC000100930767 211394118 /nfs/dbraw/zinc/39/41/18/211394118.db2.gz AMISPSLVYTTXRB-GOSISDBHSA-N -1 0 393.468 3.095 50 0 GGAARM O=C([O-])CCC/C=C\C[C@@H]1[C@@H](/C=C/[C@@H](O)CCc2ccccc2)C(=O)C[C@@H]1O ZINC000100985377 211393903 /nfs/dbraw/zinc/39/39/03/211393903.db2.gz OAQGPAZDRCBBLD-YTCWWFNZSA-N -1 0 386.488 3.304 50 0 in-vitro GGAARM CC(=O)c1[n-]n(-c2cccc(C)c2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000100892629 211392752 /nfs/dbraw/zinc/39/27/52/211392752.db2.gz NMQDUOSWDARETR-HKUYNNGSSA-N -1 0 395.846 3.280 50 0 GGAARM O=C(Nc1ncccc1O)c1c([O-])c2ccccc2n(Cc2ccccc2)c1=O ZINC000100888994 211392780 /nfs/dbraw/zinc/39/27/80/211392780.db2.gz MYBVBIBLWKGZNI-UHFFFAOYSA-N -1 0 387.395 3.108 50 0 GGAARM CCCCn1c2ccccc2c([O-])c(C(=O)NCc2ccc(OC)cc2)c1=O ZINC000100812224 211392312 /nfs/dbraw/zinc/39/23/12/211392312.db2.gz WOGSREHFTSYVAF-UHFFFAOYSA-N -1 0 380.444 3.446 50 0 GGAARM O=C(Nc1ccc(Br)cc1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100662952 211388939 /nfs/dbraw/zinc/38/89/39/211388939.db2.gz ZMZIZYPAPHFYAW-UHFFFAOYSA-N -1 0 385.217 3.278 50 0 GGAARM Cc1ccc2nc(NC(=O)c3c([O-])c4cccc5c4n(c3=O)CC5)sc2c1 ZINC000100621339 211388461 /nfs/dbraw/zinc/38/84/61/211388461.db2.gz UTMAXPVIWNXTNZ-UHFFFAOYSA-N -1 0 377.425 3.434 50 0 GGAARM O=c1cc(CSc2nnnn2-c2ccccc2)[n-]n1-c1ccc(Cl)cc1 ZINC000100072204 211382171 /nfs/dbraw/zinc/38/21/71/211382171.db2.gz LUPGAUCLAJEVRC-UHFFFAOYSA-N -1 0 384.852 3.499 50 0 GGAARM Cc1nc(C(C)C)sc1C(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)[O-])C1 ZINC000096132559 211304962 /nfs/dbraw/zinc/30/49/62/211304962.db2.gz YQAPFVNAMWRXDY-JLTOFOAXSA-N -1 0 386.473 3.278 50 0 GGAARM COc1cccc2c1OC[C@]1(C(=O)[O-])CN(C(=O)c3cc(C)cc(C)c3)C[C@H]21 ZINC000096142075 211307760 /nfs/dbraw/zinc/30/77/60/211307760.db2.gz QAYIRPKXXRHRAG-VGOFRKELSA-N -1 0 381.428 3.015 50 0 GGAARM O=C([O-])CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1 ZINC000095616592 211282162 /nfs/dbraw/zinc/28/21/62/211282162.db2.gz AVZCPICCWKMZDT-UHFFFAOYSA-N -1 0 389.459 3.030 50 0 in-vitro GGAARM O=C([O-])[C@H]1[C@@H]2CC(=O)C[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095743246 211281725 /nfs/dbraw/zinc/28/17/25/211281725.db2.gz CJRUPEXNZOFRTP-WHIIXXIBSA-N -1 0 391.423 3.300 50 0 GGAARM Cc1ccc2nc(C)cc(C(=O)N3CC(Oc4ccc(C(=O)[O-])cc4)C3)c2c1 ZINC000095503253 211254361 /nfs/dbraw/zinc/25/43/61/211254361.db2.gz FJXODJMMDUADQO-UHFFFAOYSA-N -1 0 376.412 3.453 50 0 GGAARM Cc1nc2ccc(C(=O)N3CCc4ccccc4[C@@H]3CC(=O)[O-])cc2nc1C ZINC000095389408 211236919 /nfs/dbraw/zinc/23/69/19/211236919.db2.gz SQVVOOWXRSEITC-FQEVSTJZSA-N -1 0 375.428 3.461 50 0 GGAARM Cc1nc2ccccn2c1CC(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095352540 211221760 /nfs/dbraw/zinc/22/17/60/211221760.db2.gz PQZPHLFHJKHFJX-SFHVURJKSA-N -1 0 377.444 3.290 50 0 GGAARM Cc1nc2ccc(C(=O)N3CCc4ccccc4[C@H]3CC(=O)[O-])cc2nc1C ZINC000095389409 211236279 /nfs/dbraw/zinc/23/62/79/211236279.db2.gz SQVVOOWXRSEITC-HXUWFJFHSA-N -1 0 375.428 3.461 50 0 GGAARM O=C([O-])CCc1cc2n(n1)CCCN(Cc1ccc([C@@H]3CCCO3)s1)C2 ZINC000095383125 211234819 /nfs/dbraw/zinc/23/48/19/211234819.db2.gz JMHBEAALROKILD-KRWDZBQOSA-N -1 0 375.494 3.219 50 0 GGAARM CCc1nc(C)ccc1OCC(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095379267 211233248 /nfs/dbraw/zinc/23/32/48/211233248.db2.gz FONHNKRIEFXQLX-SFHVURJKSA-N -1 0 382.460 3.436 50 0 GGAARM Cc1cc(C)n2ncc(C(=O)N3CCC[C@@H](c4cccc(C(=O)[O-])c4)C3)c2n1 ZINC000095380114 211232570 /nfs/dbraw/zinc/23/25/70/211232570.db2.gz ISLPMPDGHBPJQA-QGZVFWFLSA-N -1 0 378.432 3.064 50 0 GGAARM O=C([O-])[C@@H](c1cccc(C(F)(F)F)c1)N1CCN(Cc2cccnc2)CC1 ZINC000095382412 211231623 /nfs/dbraw/zinc/23/16/23/211231623.db2.gz WNPJOUZZIDDWPV-QGZVFWFLSA-N -1 0 379.382 3.044 50 0 GGAARM CC(C)Cc1cc(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)[nH]c(=O)n1 ZINC000095378178 211231209 /nfs/dbraw/zinc/23/12/09/211231209.db2.gz VNPXGTZFHACPKH-INIZCTEOSA-N -1 0 383.448 3.099 50 0 GGAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3cc(=O)[nH]c4ccccc43)C2)c1 ZINC000095375948 211230722 /nfs/dbraw/zinc/23/07/22/211230722.db2.gz DHMCENUVNIWKOG-INIZCTEOSA-N -1 0 376.412 3.246 50 0 GGAARM O=C([O-])c1cccc([C@@H]2CCCN(S(=O)(=O)Cc3ccc(F)cc3)C2)c1 ZINC000095372827 211228867 /nfs/dbraw/zinc/22/88/67/211228867.db2.gz CIYOCDFNFBWDPZ-QGZVFWFLSA-N -1 0 377.437 3.233 50 0 GGAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)CN3CCc4ccccc4C3)C2)c1 ZINC000095376390 211228761 /nfs/dbraw/zinc/22/87/61/211228761.db2.gz IRDYJUBZGUCWTF-OAQYLSRUSA-N -1 0 378.472 3.149 50 0 GGAARM Cc1ccc(C)c2c(=O)cc(CN(C)Cc3nc(=O)c4sccc4[n-]3)[nH]c12 ZINC000091616467 211199049 /nfs/dbraw/zinc/19/90/49/211199049.db2.gz WEUDXEZPXVEOID-UHFFFAOYSA-N -1 0 380.473 3.075 50 0 GGAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc3sc(C)nc3c2)C1 ZINC000091616251 211197901 /nfs/dbraw/zinc/19/79/01/211197901.db2.gz LUOVMXFOSWAJIT-IBGZPJMESA-N -1 0 376.478 3.338 50 0 GGAARM O=C(c1ccc([O-])c(Cl)c1)N1C[C@H]2CC[C@@H]1CN(Cc1cscn1)C2 ZINC000091848831 211207067 /nfs/dbraw/zinc/20/70/67/211207067.db2.gz CUAHCAJVBODSBF-SWLSCSKDSA-N -1 0 377.897 3.239 50 0 GGAARM COc1ccccc1OC1(C(=O)[O-])CCN(c2nnc(C(C)C)s2)CC1 ZINC000082096558 211158883 /nfs/dbraw/zinc/15/88/83/211158883.db2.gz PTGSMKBDIPFZPS-UHFFFAOYSA-N -1 0 377.466 3.173 50 0 GGAARM CSCC[C@@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000080354812 211157642 /nfs/dbraw/zinc/15/76/42/211157642.db2.gz IQVZXNZCZUVQKS-CYBMUJFWSA-N -1 0 384.910 3.329 50 0 GGAARM CCOC(=O)c1csc(=NC(=O)CCn2ccc3c2cccc3Cl)[n-]1 ZINC000079475156 211155715 /nfs/dbraw/zinc/15/57/15/211155715.db2.gz ZFPAQGBKUMMTKY-UHFFFAOYSA-N -1 0 377.853 3.379 50 0 GGAARM COc1ccccc1OC1(C(=O)[O-])CCN(Cc2nc3ccccc3n2C)CC1 ZINC000082120596 211162654 /nfs/dbraw/zinc/16/26/54/211162654.db2.gz FWBSYJATGMNSAJ-UHFFFAOYSA-N -1 0 395.459 3.080 50 0 GGAARM CCOc1ccc(-c2ccnc(NCc3ccc4nonc4c3)n2)cc1C(=O)[O-] ZINC000077436859 211135382 /nfs/dbraw/zinc/13/53/82/211135382.db2.gz PVQFNKYWUQMLCM-UHFFFAOYSA-N -1 0 391.387 3.389 50 0 GGAARM CCOc1ccc(-c2ccnc(N(C)Cc3nncn3C(C)C)n2)cc1C(=O)[O-] ZINC000077470616 211134185 /nfs/dbraw/zinc/13/41/85/211134185.db2.gz VZFJSSKEFOCFFJ-UHFFFAOYSA-N -1 0 396.451 3.049 50 0 GGAARM CCCn1ccnc1CN1CCC(Oc2ccc(Cl)cc2)(C(=O)[O-])CC1 ZINC000077337139 211131086 /nfs/dbraw/zinc/13/10/86/211131086.db2.gz YTNKKDUGOVLRHH-UHFFFAOYSA-N -1 0 377.872 3.445 50 0 GGAARM O=C([O-])c1ccc(C[C@@H]2CCN(C(=O)c3cccc(-n4cccn4)c3)C2)cc1 ZINC000072481557 211125086 /nfs/dbraw/zinc/12/50/86/211125086.db2.gz OLPKZCMIYUAZBY-KRWDZBQOSA-N -1 0 375.428 3.275 50 0 GGAARM C[C@@H]1CCc2sc(C(=O)N3CCCn4nc(CCC(=O)[O-])cc4C3)cc2C1 ZINC000072457327 211121465 /nfs/dbraw/zinc/12/14/65/211121465.db2.gz GHSKXKBBRATZLC-CYBMUJFWSA-N -1 0 387.505 3.133 50 0 GGAARM O=C([O-])c1ccc(C[C@@H]2CCN(C(=O)c3cc(-c4ccc(O)cc4)n[nH]3)C2)cc1 ZINC000072407848 211114814 /nfs/dbraw/zinc/11/48/14/211114814.db2.gz CMWZEJYNIJPIAU-HNNXBMFYSA-N -1 0 391.427 3.185 50 0 GGAARM O=C([O-])c1ccccc1CC(=O)NCCNc1ccnc2cc(Cl)ccc21 ZINC000072401770 211112017 /nfs/dbraw/zinc/11/20/17/211112017.db2.gz NJERLBYVLAHSRM-UHFFFAOYSA-N -1 0 383.835 3.357 50 0 GGAARM O=C([O-])c1cccc(CC2CCN(C(=O)c3cccc4nccnc43)CC2)c1 ZINC000072145882 211076449 /nfs/dbraw/zinc/07/64/49/211076449.db2.gz ASALNPWQMYOCPA-UHFFFAOYSA-N -1 0 375.428 3.423 50 0 GGAARM O=C([O-])c1ccccc1[C@@H]1CCN(C(=O)c2cccc(Cn3cccn3)c2)C1 ZINC000072163120 211080289 /nfs/dbraw/zinc/08/02/89/211080289.db2.gz WYSVDFVHCYFNLT-GOSISDBHSA-N -1 0 375.428 3.259 50 0 GGAARM Nc1ncc(C(=O)N2CC[C@H](c3ccccc3C(=O)[O-])C2)c(-c2ccccc2)n1 ZINC000072158996 211077820 /nfs/dbraw/zinc/07/78/20/211077820.db2.gz GJEWVVJHWNPNAP-HNNXBMFYSA-N -1 0 388.427 3.054 50 0 GGAARM COc1ccc(F)c(C(=O)N2CC[C@@H](Cc3cccc(C(=O)[O-])c3)C2)c1F ZINC000072143411 211074839 /nfs/dbraw/zinc/07/48/39/211074839.db2.gz KSJKKYLQHKZSIX-ZDUSSCGKSA-N -1 0 375.371 3.376 50 0 GGAARM CC1(C)S[C@H](C(=O)OCC2c3ccccc3-c3ccccc32)N[C@@H]1C(=O)[O-] ZINC000071791477 211062252 /nfs/dbraw/zinc/06/22/52/211062252.db2.gz FTAMZCNCHJRKIG-QZTJIDSGSA-N -1 0 383.469 3.236 50 0 GGAARM Cc1ccc(C(=O)N2CCC(CCCc3ccccc3)(C(=O)[O-])CC2)c(=O)[nH]1 ZINC000071745278 211053936 /nfs/dbraw/zinc/05/39/36/211053936.db2.gz JKRFUCUTOGGXGA-UHFFFAOYSA-N -1 0 382.460 3.013 50 0 GGAARM Cc1ccc2[nH]nc(C(=O)N3CCC[C@](Cc4ccccc4)(C(=O)[O-])C3)c2c1 ZINC000071715015 211052481 /nfs/dbraw/zinc/05/24/81/211052481.db2.gz QJAMRHBASFGQAO-JOCHJYFZSA-N -1 0 377.444 3.421 50 0 GGAARM O=C([O-])c1cc(-c2ccccc2CO)cc(S(=O)(=O)N2CCCCCC2)c1 ZINC000071749475 211056587 /nfs/dbraw/zinc/05/65/87/211056587.db2.gz XJIQWTJWWGDVJW-UHFFFAOYSA-N -1 0 389.473 3.109 50 0 GGAARM O=C([O-])[C@@]1(Cc2ccccc2F)CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000071405597 211046905 /nfs/dbraw/zinc/04/69/05/211046905.db2.gz OLBGMBNKUDIFJZ-OAQYLSRUSA-N -1 0 385.391 3.104 50 0 GGAARM COc1ccc(NC(=O)c2ccc(NC(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)cc2)cc1 ZINC000071280211 211041889 /nfs/dbraw/zinc/04/18/89/211041889.db2.gz FPHASLRBCOCHIU-SJORKVTESA-N -1 0 382.416 3.243 50 0 GGAARM O=C([O-])c1ccccc1CC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000071285384 211044544 /nfs/dbraw/zinc/04/45/44/211044544.db2.gz SLJKNJJPESNDER-UHFFFAOYSA-N -1 0 378.384 3.089 50 0 GGAARM O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)c1cc(=O)[nH][n-]1 ZINC000071314940 211044248 /nfs/dbraw/zinc/04/42/48/211044248.db2.gz PMTONXVXNPTMHY-UHFFFAOYSA-N -1 0 378.310 3.251 50 0 GGAARM Cc1nc(NC(=O)c2cccc(NC(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)c2)sc1C ZINC000071287760 211044431 /nfs/dbraw/zinc/04/44/31/211044431.db2.gz JVVGQJOEQBSRNU-KGLIPLIRSA-N -1 0 387.461 3.308 50 0 GGAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(C(=O)NC2CCCC2)c(Cl)c1 ZINC000071285889 211044030 /nfs/dbraw/zinc/04/40/30/211044030.db2.gz VFWPCOHRJNMSKQ-GJZGRUSLSA-N -1 0 378.856 3.308 50 0 GGAARM COc1ccc(C(=O)NC2CCCC2)cc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000071287684 211043871 /nfs/dbraw/zinc/04/38/71/211043871.db2.gz UUONBXOXJLBCIO-UHFFFAOYSA-N -1 0 396.443 3.247 50 0 GGAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cc(C(=O)NC2CCCC2)ccc1Cl ZINC000071283999 211043509 /nfs/dbraw/zinc/04/35/09/211043509.db2.gz UQNCOXBWHBBSGS-GJZGRUSLSA-N -1 0 378.856 3.308 50 0 GGAARM O=C([O-])CSc1nnc(Cc2ccc(O)cc2)n1-c1ccccc1Cl ZINC000067954934 211030693 /nfs/dbraw/zinc/03/06/93/211030693.db2.gz YPDBSAZMMFJVHL-UHFFFAOYSA-N -1 0 375.837 3.394 50 0 GGAARM O=S(=O)([N-]CCCn1ccnc1-c1ccccc1)c1c(F)cccc1F ZINC000090583374 211035231 /nfs/dbraw/zinc/03/52/31/211035231.db2.gz WMUJQTQRSCDYJV-UHFFFAOYSA-N -1 0 377.416 3.197 50 0 GGAARM O=C([O-])CSc1nnc([C@@H](O)c2ccccc2)n1-c1ccccc1Cl ZINC000067755208 211019936 /nfs/dbraw/zinc/01/99/36/211019936.db2.gz JEJJRGVCFPRECJ-HNNXBMFYSA-N -1 0 375.837 3.179 50 0 GGAARM Cc1oc(-c2ccco2)nc1COc1cccc(N2C[C@H](C(=O)[O-])CC2=O)c1 ZINC000067490407 211009716 /nfs/dbraw/zinc/00/97/16/211009716.db2.gz RUAQJMYXWUBPQV-CYBMUJFWSA-N -1 0 382.372 3.260 50 0 GGAARM CN(c1ccsc1C(=O)[O-])S(=O)(=O)c1ccc(Br)cc1 ZINC000062591972 210934576 /nfs/dbraw/zinc/93/45/76/210934576.db2.gz JKTIXBKLTDKZMV-UHFFFAOYSA-N -1 0 376.253 3.034 50 0 GGAARM O=C([O-])c1ccc2c(c1)S[C@H](CC(=O)Nc1ccc(F)c(F)c1F)C(=O)N2 ZINC000061718147 210928888 /nfs/dbraw/zinc/92/88/88/210928888.db2.gz IAMWAPUUQNKRBS-GFCCVEGCSA-N -1 0 396.346 3.244 50 0 GGAARM COCCn1c2ccc(C(=O)[O-])cc2n(CCCCOc2ccccc2)c1=O ZINC000055369623 210888907 /nfs/dbraw/zinc/88/89/07/210888907.db2.gz NWYITOAINTYCHT-UHFFFAOYSA-N -1 0 384.432 3.007 50 0 GGAARM COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1ccccc1C(=O)NC1CC1 ZINC000041107866 210799112 /nfs/dbraw/zinc/79/91/12/210799112.db2.gz DZHAUBBGUNMQPE-UHFFFAOYSA-N -1 0 394.880 3.350 50 0 GGAARM Cc1ccc(CSc2ncc(Cl)c(C(=O)NCCCC(=O)[O-])n2)cc1 ZINC000041154681 210798842 /nfs/dbraw/zinc/79/88/42/210798842.db2.gz ZGVGRZNLGKIJEP-UHFFFAOYSA-N -1 0 379.869 3.325 50 0 GGAARM CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2cc(Br)ccc12)C(=O)[O-] ZINC000040566510 210788481 /nfs/dbraw/zinc/78/84/81/210788481.db2.gz MIRGNBUFSULZAZ-CYBMUJFWSA-N -1 0 383.242 3.451 50 0 GGAARM COc1ccc(-c2cc(C(=O)NCCC(=O)[O-])c3ccccc3n2)cc1OC ZINC000040309308 210784572 /nfs/dbraw/zinc/78/45/72/210784572.db2.gz RWKSGAALMNVKFS-UHFFFAOYSA-N -1 0 380.400 3.124 50 0 biogenic GGAARM O=C([O-])[C@@H](Cc1cccc(Br)c1)NC(=O)OCc1ccccc1 ZINC000039957002 210765156 /nfs/dbraw/zinc/76/51/56/210765156.db2.gz ALUNPGPCGVZHIV-OAHLLOKOSA-N -1 0 378.222 3.371 50 0 GGAARM CCOc1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)ncn1 ZINC000077100988 210747917 /nfs/dbraw/zinc/74/79/17/210747917.db2.gz YKAZTTIADVSVPW-UHFFFAOYSA-N -1 0 381.763 3.348 50 0 GGAARM O=C([O-])[C@H]1CCCN(C(=O)CCn2ccc3cc(Br)ccc32)C1 ZINC000036360007 210722204 /nfs/dbraw/zinc/72/22/04/210722204.db2.gz RNEDFZGSMQUKQD-ZDUSSCGKSA-N -1 0 379.254 3.117 50 0 GGAARM Cc1cccc(N2C(=O)C[C@H](Sc3ncccc3C(=O)[O-])C2=O)c1Cl ZINC000020638834 210355859 /nfs/dbraw/zinc/35/58/59/210355859.db2.gz XHWCDNSCLOKJCJ-LBPRGKRZSA-N -1 0 376.821 3.166 50 0 GGAARM COc1ccccc1-c1nc(CC(=O)NCc2ccc(C(=O)[O-])cc2)cs1 ZINC000020746069 210361088 /nfs/dbraw/zinc/36/10/88/210361088.db2.gz XHJVASDYKPCVKN-UHFFFAOYSA-N -1 0 382.441 3.376 50 0 GGAARM COc1cc(-c2noc(-c3c[n-]c4ccc(F)cc4c3=O)n2)cc(OC)c1OC ZINC000020734376 210359557 /nfs/dbraw/zinc/35/95/57/210359557.db2.gz WWNKRBKCZMTGRS-UHFFFAOYSA-N -1 0 397.362 3.410 50 0 GGAARM CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2c[nH]c3cccc(Cl)c32)CC1 ZINC000020739185 210359288 /nfs/dbraw/zinc/35/92/88/210359288.db2.gz LWOXMCSZKXIAMS-MRXNPFEDSA-N -1 0 393.871 3.500 50 0 GGAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(Cc2cccnc2)CC1 ZINC000020732207 210358876 /nfs/dbraw/zinc/35/88/76/210358876.db2.gz KGZLOIJIBWDWCS-LJQANCHMSA-N -1 0 384.867 3.160 50 0 GGAARM COc1ccc(-c2nc(CC(=O)NCc3ccc(C(=O)[O-])cc3)cs2)cc1 ZINC000020723096 210357090 /nfs/dbraw/zinc/35/70/90/210357090.db2.gz PNNOACSREWOZSJ-UHFFFAOYSA-N -1 0 382.441 3.376 50 0 GGAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCn1ccc2ccc(F)cc21 ZINC000020721510 210356994 /nfs/dbraw/zinc/35/69/94/210356994.db2.gz MREKXIWSHUMFCC-IBGZPJMESA-N -1 0 393.418 3.464 50 0 GGAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 ZINC000020614550 210352085 /nfs/dbraw/zinc/35/20/85/210352085.db2.gz NTDFAEQXYLUVSK-UHFFFAOYSA-N -1 0 386.477 3.295 50 0 GGAARM COc1ccccc1-n1c2nc(-c3ccco3)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000020604323 210351400 /nfs/dbraw/zinc/35/14/00/210351400.db2.gz HZHTTXBEWQZXMX-UHFFFAOYSA-N -1 0 395.396 3.036 50 0 GGAARM COc1ccc(-c2cc(C(F)F)c3c(C)nn(CC(=O)[O-])c3n2)cc1OC ZINC000020349787 210329430 /nfs/dbraw/zinc/32/94/30/210329430.db2.gz IFWORVGBNCQJBL-UHFFFAOYSA-N -1 0 377.347 3.446 50 0 GGAARM CCOC(=O)c1c([N-]C(=S)OCC)sc2c1CCN(C(=O)OCC)C2 ZINC000019897423 210306290 /nfs/dbraw/zinc/30/62/90/210306290.db2.gz DBNBNUZUTNPFMA-UHFFFAOYSA-N -1 0 386.495 3.173 50 0 GGAARM CCCCNC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000009828498 221092328 /nfs/dbraw/zinc/09/23/28/221092328.db2.gz DNJNVAUDDWUGDQ-UHFFFAOYSA-N -1 0 387.914 3.056 50 0 GGAARM CC[C@@H](C)NC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000009828500 221092356 /nfs/dbraw/zinc/09/23/56/221092356.db2.gz VKHNWPPFTPSZTR-SNVBAGLBSA-N -1 0 387.914 3.055 50 0 GGAARM Cc1nnc(N2CCC(C(=O)[O-])(n3ccc(C(C)C)n3)CC2)c2ccccc12 ZINC000072426359 136170009 /nfs/dbraw/zinc/17/00/09/136170009.db2.gz WHSRVNSHUDHXSV-UHFFFAOYSA-N -1 0 379.464 3.338 50 0 GGAARM Cc1cccc(C)c1N1CCN(CCn2c(=O)c3ccccc3[n-]c2=S)CC1 ZINC000020472164 136202609 /nfs/dbraw/zinc/20/26/09/136202609.db2.gz DLSIRKMGERQFMO-UHFFFAOYSA-N -1 0 394.544 3.124 50 0 GGAARM [O-]c1c([C@H](c2ccco2)N2CCN(c3ccccc3)CC2)sc2ncnn12 ZINC000022610094 136204256 /nfs/dbraw/zinc/20/42/56/136204256.db2.gz LNMFNEUHDDXLHP-INIZCTEOSA-N -1 0 381.461 3.001 50 0 GGAARM COc1ccc(N2C(=O)[N-]C(=O)C(=C(C)NCCC3=CCCCC3)C2=O)cc1 ZINC000101087163 533996920 /nfs/dbraw/zinc/99/69/20/533996920.db2.gz BKBMQYLCUFJVQX-NBVRZTHBSA-N -1 0 383.448 3.032 50 0 GGAARM CC(C)(C)OC(=O)N1CCN(c2cccc(F)c2C(F)(F)F)C[C@H]1C(=O)[O-] ZINC000169725638 534838829 /nfs/dbraw/zinc/83/88/29/534838829.db2.gz ASBPKLWZRTVKEB-LBPRGKRZSA-N -1 0 392.349 3.355 50 0 GGAARM CCN1CC2(CC1=O)CCN(c1nc(-c3ccccc3)ccc1C(=O)[O-])CC2 ZINC000077453406 535443486 /nfs/dbraw/zinc/44/34/86/535443486.db2.gz NMPAZBACIAXZCM-UHFFFAOYSA-N -1 0 379.460 3.286 50 0 GGAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc2c[nH]nc21 ZINC000001430705 564185569 /nfs/dbraw/zinc/18/55/69/564185569.db2.gz GJZBPSHAOVVKHD-UHFFFAOYSA-N -1 0 382.239 3.135 50 0 GGAARM COc1cc(NC(=O)c2cccc(Br)c2)c(C(=O)[O-])cc1OC ZINC000002939211 564192119 /nfs/dbraw/zinc/19/21/19/564192119.db2.gz LEEOWPIIPHTMEX-UHFFFAOYSA-N -1 0 380.194 3.417 50 0 GGAARM COc1ccccc1CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000003269671 564194409 /nfs/dbraw/zinc/19/44/09/564194409.db2.gz AFTCIYJXQXSRKY-UHFFFAOYSA-N -1 0 390.244 3.179 50 0 GGAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(OCc3ccc(Br)cc3)cc2)C1 ZINC000004549757 564204390 /nfs/dbraw/zinc/20/43/90/564204390.db2.gz QIVLQMZWKQYAES-ZDUSSCGKSA-N -1 0 390.233 3.466 50 0 GGAARM O=C([O-])COc1ccc(NC(=O)c2ccccc2I)cc1 ZINC000004700999 564204930 /nfs/dbraw/zinc/20/49/30/564204930.db2.gz CMQRTNYNINKHOB-UHFFFAOYSA-N -1 0 397.168 3.007 50 0 GGAARM O=C([O-])c1cc(NC(=O)c2ccc(F)cc2)ccc1I ZINC000004701019 564205248 /nfs/dbraw/zinc/20/52/48/564205248.db2.gz CFBMBBNXXJUEMQ-UHFFFAOYSA-N -1 0 385.132 3.381 50 0 GGAARM O=C([O-])c1ccccc1NC(=S)NC(=O)c1ccccc1Br ZINC000004675001 564205373 /nfs/dbraw/zinc/20/53/73/564205373.db2.gz AXCDGKCGBFJWOL-UHFFFAOYSA-N -1 0 379.235 3.274 50 0 GGAARM O=C(CSC1=Nc2ccc(F)cc2S(=O)(=O)[N-]1)Nc1ccc(Cl)cc1 ZINC000004853638 564208325 /nfs/dbraw/zinc/20/83/25/564208325.db2.gz BKFXZMKMLXZYSU-UHFFFAOYSA-N -1 0 399.856 3.321 50 0 GGAARM O=C([O-])/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1 ZINC000004907073 564209532 /nfs/dbraw/zinc/20/95/32/564209532.db2.gz OCRPDAKFWLZTSU-QPEQYQDCSA-N -1 0 390.189 3.033 50 0 GGAARM CC(C)C(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 ZINC000005380300 564215638 /nfs/dbraw/zinc/21/56/38/564215638.db2.gz CPUPUGAYLLTCKD-UHFFFAOYSA-N -1 0 380.853 3.053 50 0 GGAARM N=C1NC(=O)/C(=C\c2cc(Br)c([O-])c(Br)c2)S1 ZINC000005630642 564217758 /nfs/dbraw/zinc/21/77/58/564217758.db2.gz JQNVJDMZFWGJNA-XVNBXDOJSA-N -1 0 378.045 3.056 50 0 GGAARM CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000006243956 564222283 /nfs/dbraw/zinc/22/22/83/564222283.db2.gz OMYSTENTDBOZBH-UHFFFAOYSA-N -1 0 397.294 3.390 50 0 GGAARM Cc1cc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C)cc3)cs2)no1 ZINC000006681791 564227137 /nfs/dbraw/zinc/22/71/37/564227137.db2.gz UJQXMRBOHMGLNS-UHFFFAOYSA-N -1 0 377.447 3.406 50 0 GGAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)C2CC2)CC3)s1 ZINC000008977391 564251942 /nfs/dbraw/zinc/25/19/42/564251942.db2.gz IKFLXOZIEVUJFN-UHFFFAOYSA-N -1 0 376.503 3.152 50 0 GGAARM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]c1cccc(OC)c1 ZINC000009646359 564254139 /nfs/dbraw/zinc/25/41/39/564254139.db2.gz KCHWEUNBLOAITM-UHFFFAOYSA-N -1 0 377.443 3.497 50 0 GGAARM Cc1nc2sc([C@@H](c3ccc(Cl)cc3)N3CCC(O)CC3)c([O-])n2n1 ZINC000023156929 564322286 /nfs/dbraw/zinc/32/22/86/564322286.db2.gz FTPCCYUZSSKODF-CQSZACIVSA-N -1 0 378.885 3.004 50 0 GGAARM Cc1nc2sc([C@H](c3cccc(Cl)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000023157711 564322419 /nfs/dbraw/zinc/32/24/19/564322419.db2.gz UDIVPRAGILVMPT-AWEZNQCLSA-N -1 0 378.885 3.004 50 0 GGAARM O=C([O-])[C@@H]1CCCN(C(=O)CCn2ccc3cc(Br)ccc32)C1 ZINC000036360008 564417792 /nfs/dbraw/zinc/41/77/92/564417792.db2.gz RNEDFZGSMQUKQD-CYBMUJFWSA-N -1 0 379.254 3.117 50 0 GGAARM O=C([O-])[C@H]1CCCN(C(=O)CCn2ccc3c2cccc3Br)C1 ZINC000040266948 564426918 /nfs/dbraw/zinc/42/69/18/564426918.db2.gz KBTALULTPBGWAH-LBPRGKRZSA-N -1 0 379.254 3.117 50 0 GGAARM COc1cccc(-c2nc(C)c(C(=O)N[C@@H](CCSC)C(=O)[O-])s2)c1 ZINC000040312747 564426961 /nfs/dbraw/zinc/42/69/61/564426961.db2.gz WBWWCINDSWPIFI-ZDUSSCGKSA-N -1 0 380.491 3.063 50 0 biogenic GGAARM CCSc1nnc([N-]C(=O)c2coc(NC(=O)c3cccs3)n2)s1 ZINC000062023073 564710596 /nfs/dbraw/zinc/71/05/96/564710596.db2.gz GRSYHDANWPKBIA-UHFFFAOYSA-N -1 0 381.464 3.204 50 0 GGAARM O=C(CSc1nc2[nH]c(=O)cc([O-])c2s1)Nc1ccc(F)cc1Cl ZINC000065364925 564742823 /nfs/dbraw/zinc/74/28/23/564742823.db2.gz BCTWREGMDIAXKF-UHFFFAOYSA-N -1 0 385.829 3.214 50 0 GGAARM O=C([O-])c1ccc(F)c(NC(=O)c2cnc3cc(Br)ccn32)c1 ZINC000142416233 564875521 /nfs/dbraw/zinc/87/55/21/564875521.db2.gz JPQNMZWEURZZKX-UHFFFAOYSA-N -1 0 378.157 3.186 50 0 GGAARM Cc1nc2sc([C@H](c3cccc(Cl)c3F)N3CCOCC3)c([O-])n2n1 ZINC000218481073 565899718 /nfs/dbraw/zinc/89/97/18/565899718.db2.gz QPJZCGOSIKHHIK-ZDUSSCGKSA-N -1 0 382.848 3.019 50 0 GGAARM CCCOc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000252508338 566114192 /nfs/dbraw/zinc/11/41/92/566114192.db2.gz XKPLDZWTMJISIZ-UHFFFAOYSA-N -1 0 382.869 3.337 50 0 GGAARM O=[S@](c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1)C(F)(F)F ZINC000685939551 567311960 /nfs/dbraw/zinc/31/19/60/567311960.db2.gz MONQKQZVBJTKCK-HSZRJFAPSA-N -1 0 385.335 3.393 50 0 GGAARM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccccc1C(F)(F)F)OCC(=O)N2 ZINC000012446852 570233266 /nfs/dbraw/zinc/23/32/66/570233266.db2.gz FZMNGQDIZVWDHM-UHFFFAOYSA-N -1 0 386.351 3.146 50 0 GGAARM Cc1ccc2[nH]cc(CCNc3nnc(Cc4ccc(F)cc4)c(=O)[n-]3)c2c1 ZINC000004818432 570238340 /nfs/dbraw/zinc/23/83/40/570238340.db2.gz NLLVNRVBCWBHQP-UHFFFAOYSA-N -1 0 377.423 3.339 50 0 GGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccco3)cc2)n1 ZINC000001158375 570251046 /nfs/dbraw/zinc/25/10/46/570251046.db2.gz MZLXFXLUQGOSBR-JXMROGBWSA-N -1 0 398.444 3.139 50 0 GGAARM COc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2OC)cc1Cl ZINC000001159275 570251300 /nfs/dbraw/zinc/25/13/00/570251300.db2.gz NVEGZEQLJUMOKB-UHFFFAOYSA-N -1 0 394.836 3.182 50 0 GGAARM O=C([O-])[C@H]1Cc2[nH]cnc2[C@@H](c2ccc(F)cc2)N1C(=S)Nc1ccccc1 ZINC000022628260 570264708 /nfs/dbraw/zinc/26/47/08/570264708.db2.gz DYVXCFIFPGCDFU-SJLPKXTDSA-N -1 0 396.447 3.347 50 0 GGAARM Cc1cccc(NC(=O)c2c([O-])c3cnn(Cc4ccccc4)c3[nH]c2=O)c1C ZINC000049411794 570266789 /nfs/dbraw/zinc/26/67/89/570266789.db2.gz LIICZZVOSYLUEK-UHFFFAOYSA-N -1 0 388.427 3.348 50 0 GGAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)CC3=CSC4=NCCCN34)C2)cc1 ZINC000102472618 570289278 /nfs/dbraw/zinc/28/92/78/570289278.db2.gz NPRSACYOZQZDFN-INIZCTEOSA-N -1 0 385.489 3.131 50 0 GGAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)CC3=CSC4=NCCCN34)C2)c1 ZINC000102855312 570293085 /nfs/dbraw/zinc/29/30/85/570293085.db2.gz WIUIUISDOBWUAZ-MRXNPFEDSA-N -1 0 385.489 3.131 50 0 GGAARM CC[C@H](C)[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-] ZINC000016042988 570313935 /nfs/dbraw/zinc/31/39/35/570313935.db2.gz VGXCIBPQEKJWIO-NCAQKEMTSA-N -1 0 389.448 3.101 50 0 GGAARM Cc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)N[C@H](C)C(=O)[O-])cc1 ZINC000002982753 570322448 /nfs/dbraw/zinc/32/24/48/570322448.db2.gz ASFSUAZOJDNEJP-VVBXCHJUSA-N -1 0 386.835 3.009 50 0 GGAARM CC(=O)N1CC(Nc2cccc(-c3cc(C(=O)[O-])c4ccccc4n3)c2)=CC1=O ZINC000218454322 570334882 /nfs/dbraw/zinc/33/48/82/570334882.db2.gz XSRGFHBRYPVVDV-UHFFFAOYSA-N -1 0 387.395 3.285 50 0 GGAARM O=C([O-])c1c(NC(=O)Cn2c(=O)sc3ccccc32)sc2c1CCCC2 ZINC000003651214 570349734 /nfs/dbraw/zinc/34/97/34/570349734.db2.gz KEGFJKKRXSWMTJ-UHFFFAOYSA-N -1 0 388.470 3.340 50 0 GGAARM CC(C)(CC(=O)[O-])CC(=O)NC1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000004324696 570368197 /nfs/dbraw/zinc/36/81/97/570368197.db2.gz XJWFDFXZWKCWEE-UHFFFAOYSA-N -1 0 384.879 3.451 50 0 GGAARM CCOc1c(CNc2ccc(N3CCOCC3)c(C(=O)[O-])c2)cccc1OC ZINC000004385749 570372768 /nfs/dbraw/zinc/37/27/68/570372768.db2.gz VPKCEPFAVBZWSC-UHFFFAOYSA-N -1 0 386.448 3.241 50 0 GGAARM O=C([O-])CC[C@@]1(CCC(=O)NC2c3ccccc3-c3ccccc32)CCC(=O)N1 ZINC000219717927 570374122 /nfs/dbraw/zinc/37/41/22/570374122.db2.gz PKHGHNWRNNEABC-HSZRJFAPSA-N -1 0 392.455 3.166 50 0 GGAARM CO[C@@](c1ccccc1)(c1ccc(F)cc1)[C@H](Oc1nccc(C)n1)C(=O)[O-] ZINC000006320242 570378571 /nfs/dbraw/zinc/37/85/71/570378571.db2.gz MBEXHHZGFKRMCL-NQIIRXRSSA-N -1 0 382.391 3.346 50 0 GGAARM CC(C)(C)OC(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)CC(=O)[O-] ZINC000004521551 570381473 /nfs/dbraw/zinc/38/14/73/570381473.db2.gz HNHAXXDXQQYOND-HNNXBMFYSA-N -1 0 380.441 3.061 50 0 GGAARM Cc1ccc(-c2cc(C(=O)N(C)Cc3nc(=O)c4sccc4[n-]3)[nH]n2)s1 ZINC000024450087 570383795 /nfs/dbraw/zinc/38/37/95/570383795.db2.gz JEJDJXDYTLCQMW-UHFFFAOYSA-N -1 0 385.474 3.017 50 0 GGAARM CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C(N)=O)CCCC3)[C@H](C(=O)[O-])C1 ZINC000004651487 570389788 /nfs/dbraw/zinc/38/97/88/570389788.db2.gz VKEVUPIIATWBTD-CHWSQXEVSA-N -1 0 376.478 3.112 50 0 GGAARM O=C([O-])/C=C\C(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000004661682 570390472 /nfs/dbraw/zinc/39/04/72/570390472.db2.gz IWXITTRIZWWEQP-HJWRWDBZSA-N -1 0 385.851 3.246 50 0 GGAARM COc1cc(OC)cc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000004675299 570392150 /nfs/dbraw/zinc/39/21/50/570392150.db2.gz BDWJQTNJPVRXKT-UHFFFAOYSA-N -1 0 394.836 3.182 50 0 GGAARM Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)n2C)cc1 ZINC000004691329 570393642 /nfs/dbraw/zinc/39/36/42/570393642.db2.gz PJEAEQHCIRTBJU-UHFFFAOYSA-N -1 0 382.445 3.220 50 0 GGAARM CC(NCCc1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000006360621 570398060 /nfs/dbraw/zinc/39/80/60/570398060.db2.gz YVCSSMDZGFMCPG-LGMDPLHJSA-N -1 0 383.835 3.029 50 0 GGAARM CCOc1ccc(N[C@H]2SC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000004748457 570402040 /nfs/dbraw/zinc/40/20/40/570402040.db2.gz FDDAETMDNYSJPV-INIZCTEOSA-N -1 0 386.429 3.417 50 0 GGAARM CC[C@@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)[O-] ZINC000004866148 570413482 /nfs/dbraw/zinc/41/34/82/570413482.db2.gz GZVYHDKHVKVGQQ-ACJLOTCBSA-N -1 0 384.432 3.177 50 0 GGAARM NS(=O)(=O)c1ccc(-n2c(=S)[n-]nc2C23CC4CC(CC(C4)C2)C3)cc1 ZINC000006445054 570424155 /nfs/dbraw/zinc/42/41/55/570424155.db2.gz KRYJTAZGBUUSGW-UHFFFAOYSA-N -1 0 390.534 3.045 50 0 GGAARM Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)n2C)c1 ZINC000006450978 570425825 /nfs/dbraw/zinc/42/58/25/570425825.db2.gz GJADZFDDYKIEKY-UHFFFAOYSA-N -1 0 382.445 3.220 50 0 GGAARM CCc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc4nncn4n3)cc2)s1 ZINC000005150796 570428553 /nfs/dbraw/zinc/42/85/53/570428553.db2.gz CWVURRHTKRTYIE-UHFFFAOYSA-N -1 0 385.474 3.216 50 0 GGAARM CC[C@H](C)[C@@H](NC(=O)/C(=C\c1ccccc1)NC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000005102988 570429633 /nfs/dbraw/zinc/42/96/33/570429633.db2.gz AQDQXSSXSIVYML-QOYIKVKJSA-N -1 0 394.471 3.381 50 0 GGAARM O=C([O-])C[C@@H]1Sc2nc3c(n2[C@]1(O)c1ccccc1)-c1ccccc1OC3 ZINC000005294930 570433288 /nfs/dbraw/zinc/43/32/88/570433288.db2.gz STBJPPOOUWMWFL-JXFKEZNVSA-N -1 0 380.425 3.085 50 0 GGAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)c(C)c1 ZINC000005329290 570434252 /nfs/dbraw/zinc/43/42/52/570434252.db2.gz UHOQZYNQKQOBMP-UHFFFAOYSA-N -1 0 378.425 3.070 50 0 GGAARM Cn1c2cc(Cl)c(S(=O)(=O)[N-]c3cccc4c3CCCC4)cc2oc1=O ZINC000005352937 570434877 /nfs/dbraw/zinc/43/48/77/570434877.db2.gz WBLDQCNHPSDXMD-UHFFFAOYSA-N -1 0 392.864 3.465 50 0 GGAARM Cc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1 ZINC000027664413 570439609 /nfs/dbraw/zinc/43/96/09/570439609.db2.gz DRDQTRIMAZCCRT-XEZPLFJOSA-N -1 0 384.379 3.160 50 0 GGAARM CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@H](C(=O)[O-])[C@H](C)CC)ccc12 ZINC000011866782 570441764 /nfs/dbraw/zinc/44/17/64/570441764.db2.gz GDLHEECSLQKGOI-BVRBVLIYSA-N -1 0 389.448 3.047 50 0 GGAARM CCCCc1cc(=O)oc2cc(OCC(=O)N[C@H](C(=O)[O-])[C@H](C)CC)ccc12 ZINC000011866794 570441821 /nfs/dbraw/zinc/44/18/21/570441821.db2.gz QWTOCYKCNRKJNE-XCLFUZPHSA-N -1 0 389.448 3.130 50 0 GGAARM CC[C@@H](C)[C@H](NC(=O)[C@H](C)Oc1ccc2c(C)c(C)c(=O)oc2c1C)C(=O)[O-] ZINC000011866804 570441845 /nfs/dbraw/zinc/44/18/45/570441845.db2.gz VGXCIBPQEKJWIO-SEHCQNQUSA-N -1 0 389.448 3.101 50 0 GGAARM CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])[C@H](C)CC)ccc12 ZINC000011866784 570441900 /nfs/dbraw/zinc/44/19/00/570441900.db2.gz SVKUVJVFUWNETR-NQCMUKECSA-N -1 0 389.448 3.128 50 0 GGAARM O=C(CSc1nc2c(c(=O)[nH]1)CCC2)Nc1nc(-c2ccccc2)cs1 ZINC000011905459 570445964 /nfs/dbraw/zinc/44/59/64/570445964.db2.gz YKHKKPSLPNZEJH-UHFFFAOYSA-N -1 0 384.486 3.113 50 0 GGAARM CCOc1cc(C(=O)N2NC(C)=C[C@]2(O)C(F)(F)F)ccc1OC(F)F ZINC000006487624 570449188 /nfs/dbraw/zinc/44/91/88/570449188.db2.gz BWJZYBPWUYSLPH-AWEZNQCLSA-N -1 0 382.285 3.159 50 0 GGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(Nc3ncnc4ccccc43)cc2)n1 ZINC000011990857 570452471 /nfs/dbraw/zinc/45/24/71/570452471.db2.gz DVHQHOXVIUUTFJ-UHFFFAOYSA-N -1 0 392.444 3.273 50 0 GGAARM COc1cc(-c2n[n-]c(=S)n2-c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000006136341 570468124 /nfs/dbraw/zinc/46/81/24/570468124.db2.gz MOTOIZGQCZECIZ-UHFFFAOYSA-N -1 0 387.417 3.351 50 0 GGAARM COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000006267603 570474908 /nfs/dbraw/zinc/47/49/08/570474908.db2.gz OEHFRGVLVYIEOG-UHFFFAOYSA-N -1 0 384.457 3.017 50 0 GGAARM O=C([O-])c1cccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1 ZINC000006276525 570475233 /nfs/dbraw/zinc/47/52/33/570475233.db2.gz ODUKJPWVXQYHJM-UHFFFAOYSA-N -1 0 382.468 3.294 50 0 GGAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCN(Cc2ccccc2Cl)CC1 ZINC000006742668 570491617 /nfs/dbraw/zinc/49/16/17/570491617.db2.gz GNRBLRPIKHEPKM-QIRNKGDASA-N -1 0 390.911 3.121 50 0 GGAARM O=C([O-])c1ccc2c(c1)S[C@H](CC(=O)Nc1ccc(F)c(F)c1)C(=O)N2 ZINC000061718848 570501433 /nfs/dbraw/zinc/50/14/33/570501433.db2.gz KKNZILRXNSJOPX-CQSZACIVSA-N -1 0 378.356 3.105 50 0 GGAARM Cc1c(-c2csc(NC(=O)c3nccnc3C(=O)[O-])n2)c2ccccc2n1C ZINC000061721568 570504817 /nfs/dbraw/zinc/50/48/17/570504817.db2.gz HLVVIBUAJAHLJR-UHFFFAOYSA-N -1 0 393.428 3.351 50 0 GGAARM O=C([O-])c1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 ZINC000034198321 570532002 /nfs/dbraw/zinc/53/20/02/570532002.db2.gz UXFKDRQTPIYUML-UHFFFAOYSA-N -1 0 376.320 3.364 50 0 GGAARM Cc1ccc(NC(=O)CCCC2=Nc3ccccc3S(=O)(=O)[N-]2)cc1F ZINC000032961379 570532764 /nfs/dbraw/zinc/53/27/64/570532764.db2.gz AMWPTBAPRDKIAD-UHFFFAOYSA-N -1 0 375.425 3.265 50 0 GGAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1cccc(NC(=O)c3cccs3)c1)C2=O ZINC000002978231 570538886 /nfs/dbraw/zinc/53/88/86/570538886.db2.gz ZZJCXWZXVNIJAC-UHFFFAOYSA-N -1 0 392.392 3.499 50 0 GGAARM O=C([O-])CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)cc1 ZINC000008867827 570542743 /nfs/dbraw/zinc/54/27/43/570542743.db2.gz JSCWUUNRTZUGMO-QGZVFWFLSA-N -1 0 383.787 3.466 50 0 GGAARM O=C([O-])CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 ZINC000008867829 570542793 /nfs/dbraw/zinc/54/27/93/570542793.db2.gz JSCWUUNRTZUGMO-KRWDZBQOSA-N -1 0 383.787 3.466 50 0 GGAARM O=C([O-])c1ccc(OCc2nnc(C(=O)Nc3ccc(F)c(F)c3)s2)cc1 ZINC000034927216 570548081 /nfs/dbraw/zinc/54/80/81/570548081.db2.gz GSICVCMBBDYFPC-UHFFFAOYSA-N -1 0 391.355 3.346 50 0 GGAARM Cc1cccc(NC(=O)N(C)CCc2noc(-c3ccc(C(=O)[O-])cc3)n2)c1 ZINC000034927234 570548173 /nfs/dbraw/zinc/54/81/73/570548173.db2.gz NNWXGBOPCZTLTI-UHFFFAOYSA-N -1 0 380.404 3.450 50 0 GGAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3nnc(-c4ccccc4)n3n2)cc1C ZINC000062006728 570555106 /nfs/dbraw/zinc/55/51/06/570555106.db2.gz ISZVPZKPFMANOB-UHFFFAOYSA-N -1 0 379.445 3.209 50 0 GGAARM O=C([O-])c1ccc(N[C@H](NC(=O)c2cccs2)C(=O)c2ccccc2)cc1 ZINC000005331605 570555748 /nfs/dbraw/zinc/55/57/48/570555748.db2.gz DQEMPXUVVBXIII-GOSISDBHSA-N -1 0 380.425 3.497 50 0 GGAARM CCc1nc2sc([C@@H](c3ccccc3F)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000022854340 570557117 /nfs/dbraw/zinc/55/71/17/570557117.db2.gz DUUHXLWTQODZGC-BFQNTYOBSA-N -1 0 390.484 3.397 50 0 GGAARM Cc1ccc(C(=O)[O-])cc1NC(=O)CSc1nnc2c3ccccc3[nH]c2n1 ZINC000009583697 570559920 /nfs/dbraw/zinc/55/99/20/570559920.db2.gz ZJRRJJQVDHUFCA-UHFFFAOYSA-N -1 0 393.428 3.244 50 0 GGAARM COc1ccc(-c2ccc(S(=O)(=O)NC3(C(=O)[O-])CCCCC3)cc2)cc1 ZINC000036293932 570562878 /nfs/dbraw/zinc/56/28/78/570562878.db2.gz JAKSOMBIPMPTDM-UHFFFAOYSA-N -1 0 389.473 3.428 50 0 GGAARM O=C([O-])[C@@H](Cc1nc2cc(F)ccc2[nH]1)NC(=O)c1ccc2ccccc2c1 ZINC000038224839 570579219 /nfs/dbraw/zinc/57/92/19/570579219.db2.gz NKMPZFCFXCJBEY-GOSISDBHSA-N -1 0 377.375 3.281 50 0 in-vitro GGAARM CC(C)[C@H](NC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)C(=O)[O-] ZINC000005422222 570589721 /nfs/dbraw/zinc/58/97/21/570589721.db2.gz FSGVBZDNTMIYJW-FQEVSTJZSA-N -1 0 395.503 3.212 50 0 GGAARM Cc1nn2c(ncc3c(=O)n([C@H](C)C(=O)[O-])ccc32)c1-c1ccc(Cl)cc1 ZINC000040397647 570601422 /nfs/dbraw/zinc/60/14/22/570601422.db2.gz KYOYFTIDIFKZMI-LLVKDONJSA-N -1 0 382.807 3.319 50 0 GGAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(NC(=O)C(C)C)c2)cc1 ZINC000004593301 570623939 /nfs/dbraw/zinc/62/39/39/570623939.db2.gz AGGDPCJHMXJUPP-SFHVURJKSA-N -1 0 384.432 3.236 50 0 GGAARM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCCC3)cc1 ZINC000012374548 570649120 /nfs/dbraw/zinc/64/91/20/570649120.db2.gz DMLIVUKLVKJCRG-UHFFFAOYSA-N -1 0 391.518 3.340 50 0 GGAARM C[C@@H](NC(=O)CSc1nc([O-])cc(=O)n1-c1ccc(F)cc1)c1ccccc1 ZINC000012383868 570650359 /nfs/dbraw/zinc/65/03/59/570650359.db2.gz VIDJKMYFTPNNEZ-CYBMUJFWSA-N -1 0 399.447 3.047 50 0 GGAARM Cc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@@H](c2ccc3nccnc3c2)C1 ZINC000012407851 570654837 /nfs/dbraw/zinc/65/48/37/570654837.db2.gz KMIDOMHTIMVALS-HXUWFJFHSA-N -1 0 388.427 3.481 50 0 GGAARM O=C([O-])CCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc2nccnc2c1 ZINC000012420763 570657703 /nfs/dbraw/zinc/65/77/03/570657703.db2.gz RPLFXKUGBBCGKW-INIZCTEOSA-N -1 0 380.429 3.234 50 0 GGAARM CCOC(=O)C[C@H](c1ccc(OC)c(O)c1)c1c([O-])c2ccccc2[nH]c1=O ZINC000072325380 570673658 /nfs/dbraw/zinc/67/36/58/570673658.db2.gz YQNRDIRGQNFUNM-CQSZACIVSA-N -1 0 383.400 3.033 50 0 biogenic GGAARM CCOC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1c([O-])c2ccccc2[nH]c1=O ZINC000072326046 570674026 /nfs/dbraw/zinc/67/40/26/570674026.db2.gz NYQQTNQIWXJUJH-AWEZNQCLSA-N -1 0 383.400 3.033 50 0 biogenic GGAARM CC(NCc1ccc(F)cc1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000005624599 570674093 /nfs/dbraw/zinc/67/40/93/570674093.db2.gz JPAWYZACZQZDOF-LFIBNONCSA-N -1 0 387.798 3.126 50 0 GGAARM CCOC(=O)C[C@H](c1cccc(OC)c1OC)c1c([O-])c2ccccc2[nH]c1=O ZINC000072325874 570674112 /nfs/dbraw/zinc/67/41/12/570674112.db2.gz KKZLZXYANOYFFQ-OAHLLOKOSA-N -1 0 397.427 3.336 50 0 biogenic GGAARM COc1ccc(F)cc1[C@H](C(=O)[O-])N(Cc1cccnc1)Cc1cccnc1 ZINC000055183315 570686312 /nfs/dbraw/zinc/68/63/12/570686312.db2.gz QJWCHJIGIDKEPM-HXUWFJFHSA-N -1 0 381.407 3.452 50 0 GGAARM Cc1cccc2[nH]c([C@H]3CCCN(C(=O)c4ccccc4NCC(=O)[O-])C3)nc21 ZINC000055393226 570694407 /nfs/dbraw/zinc/69/44/07/570694407.db2.gz JDHXETUHOJCQRX-HNNXBMFYSA-N -1 0 392.459 3.388 50 0 GGAARM Cc1cccc2[nH]c([C@@H]3CCCN(C(=O)c4ccccc4NCC(=O)[O-])C3)nc21 ZINC000055393225 570694411 /nfs/dbraw/zinc/69/44/11/570694411.db2.gz JDHXETUHOJCQRX-OAHLLOKOSA-N -1 0 392.459 3.388 50 0 GGAARM O=C([O-])c1ccc2c(c1)n(Cc1nnc(C3CC3)o1)c(=O)n2C1CCCCC1 ZINC000055401430 570694442 /nfs/dbraw/zinc/69/44/42/570694442.db2.gz KWIUHFUXKBWIDY-UHFFFAOYSA-N -1 0 382.420 3.315 50 0 GGAARM CCSc1nnc(-c2ccccc2NC(=O)CCn2ccnc2CC)c(=O)[n-]1 ZINC000055575959 570697912 /nfs/dbraw/zinc/69/79/12/570697912.db2.gz ZNSQMGMXVSWRGR-UHFFFAOYSA-N -1 0 398.492 3.144 50 0 GGAARM CCCCCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1C ZINC000252479360 570727885 /nfs/dbraw/zinc/72/78/85/570727885.db2.gz BDQLHJYXPIALAH-UHFFFAOYSA-N -1 0 376.478 3.464 50 0 GGAARM CCn1c2nc(-c3cccc(OC(F)F)c3)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000036617271 570754634 /nfs/dbraw/zinc/75/46/34/570754634.db2.gz CIASVQMSSMTDBT-UHFFFAOYSA-N -1 0 393.371 3.441 50 0 GGAARM COCCCn1c2nc(-c3ccc(C)cc3)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000036617296 570754726 /nfs/dbraw/zinc/75/47/26/570754726.db2.gz SWYVVFCIDVICQR-UHFFFAOYSA-N -1 0 385.445 3.164 50 0 GGAARM O=S(=O)([N-]c1ncc(-c2[nH]cnc2-c2ccccc2)cn1)c1ccccc1 ZINC000065420839 570767458 /nfs/dbraw/zinc/76/74/58/570767458.db2.gz YHFHVALPRBIIMM-UHFFFAOYSA-N -1 0 377.429 3.335 50 0 GGAARM COC(=O)c1cn([C@H](CC(=O)[O-])c2cccc3ccccc32)cc2c(=O)[nH]nc1-2 ZINC000524734244 570770255 /nfs/dbraw/zinc/77/02/55/570770255.db2.gz MNJDINYAUMUZKM-QGZVFWFLSA-N -1 0 391.383 3.092 50 0 GGAARM Cc1cc(-n2c(SCC(=O)[O-])nnc2-c2cccc3ccccc32)n(C)n1 ZINC000065531209 570772481 /nfs/dbraw/zinc/77/24/81/570772481.db2.gz QEXPKXJEKXATPG-UHFFFAOYSA-N -1 0 379.445 3.306 50 0 GGAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(C)c4)c=3c2=O)cc1Cl ZINC000004483895 570805194 /nfs/dbraw/zinc/80/51/94/570805194.db2.gz LOFJDGUDIWWKEU-SJORKVTESA-N -1 0 384.823 3.150 50 0 GGAARM CCOc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cc(C)ccc4C)c=3c2=O)cc1 ZINC000004483623 570805198 /nfs/dbraw/zinc/80/51/98/570805198.db2.gz WLYKRQPYXANLHV-RTBURBONSA-N -1 0 378.432 3.196 50 0 GGAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)CSc2nc3ccccc3o2)cc1 ZINC000004653860 570806765 /nfs/dbraw/zinc/80/67/65/570806765.db2.gz HYGCSHWVGQTQNO-OAHLLOKOSA-N -1 0 386.429 3.261 50 0 GGAARM Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3cccnc3)[C@H]2C1=O ZINC000102730680 570859480 /nfs/dbraw/zinc/85/94/80/570859480.db2.gz OKIOGBUHXQLPFA-QHAWAJNXSA-N -1 0 385.423 3.441 50 0 GGAARM COc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2c(C(=O)Nc3ccccc3)cnn21 ZINC000102810727 570864870 /nfs/dbraw/zinc/86/48/70/570864870.db2.gz FXQABJWRJXZPTA-QGZVFWFLSA-N -1 0 390.399 3.127 50 0 GGAARM O=C([O-])C1=Nc2c(C(=O)Nc3cccc(F)c3)cnn2[C@@H](c2ccc(F)cc2)C1 ZINC000102810847 570865356 /nfs/dbraw/zinc/86/53/56/570865356.db2.gz GOMLCTRQVOTULK-QGZVFWFLSA-N -1 0 396.353 3.397 50 0 GGAARM CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000003624344 570878718 /nfs/dbraw/zinc/87/87/18/570878718.db2.gz SJQORWBGPWVSHC-QGZVFWFLSA-N -1 0 387.432 3.438 50 0 GGAARM CCCN1C(=O)C(=Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)NC1=S ZINC000003662761 570882205 /nfs/dbraw/zinc/88/22/05/570882205.db2.gz OECZLWRANYIPRP-ATVHPVEESA-N -1 0 396.468 3.431 50 0 GGAARM O=C([O-])c1csc(-c2csc(CCNC(=O)OCc3ccccc3)n2)n1 ZINC000003767986 570883290 /nfs/dbraw/zinc/88/32/90/570883290.db2.gz HUJZXIYAOYTYOA-UHFFFAOYSA-N -1 0 389.458 3.434 50 0 GGAARM COC(=O)C[C@H](NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])c1ccc(SC)cc1 ZINC000004550801 570896899 /nfs/dbraw/zinc/89/68/99/570896899.db2.gz UAXITHCRUDBIMA-JYJNAYRXSA-N -1 0 379.478 3.020 50 0 GGAARM COC(=O)C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])c1ccc(SC)cc1 ZINC000004550799 570896908 /nfs/dbraw/zinc/89/69/08/570896908.db2.gz UAXITHCRUDBIMA-PMPSAXMXSA-N -1 0 379.478 3.020 50 0 GGAARM CCOc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccc(F)cc1 ZINC000004571993 570899182 /nfs/dbraw/zinc/89/91/82/570899182.db2.gz BMVFXTDMANIICE-RHSMWYFYSA-N -1 0 391.420 3.232 50 0 GGAARM CCOc1cc([C@H]2N[C@@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccc(F)cc1 ZINC000004571995 570899248 /nfs/dbraw/zinc/89/92/48/570899248.db2.gz BMVFXTDMANIICE-PBHICJAKSA-N -1 0 391.420 3.232 50 0 GGAARM O=C(C1CC1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc21 ZINC000013696967 570900065 /nfs/dbraw/zinc/90/00/65/570900065.db2.gz YCMXTYPBNWDLSB-UHFFFAOYSA-N -1 0 378.400 3.065 50 0 GGAARM Cc1nn(-c2ccc(C)cc2)c2ncc(C(=O)[O-])c(NCCCn3ccnc3)c12 ZINC000004023904 570900800 /nfs/dbraw/zinc/90/08/00/570900800.db2.gz UIJICZMNAQKZCY-UHFFFAOYSA-N -1 0 390.447 3.434 50 0 GGAARM O=C1CC(N2C(=O)SC(=Cc3ccc(F)cc3)C2=O)=C([O-])N1c1ccccc1 ZINC000016776971 570909775 /nfs/dbraw/zinc/90/97/75/570909775.db2.gz NSZRAGOVACGREH-VGVSSDJJSA-N -1 0 396.399 3.194 50 0 GGAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CCC(=O)N3CCCCC3)cs2)cc1 ZINC000016848640 570914180 /nfs/dbraw/zinc/91/41/80/570914180.db2.gz LZIMYNXBRVBODS-UHFFFAOYSA-N -1 0 393.534 3.197 50 0 GGAARM CC1=C(C)C[C@H](C(=O)NNC(=O)c2csc3c2CC[C@@H](C)C3)[C@H](C(=O)[O-])C1 ZINC000245239442 570923588 /nfs/dbraw/zinc/92/35/88/570923588.db2.gz IXOXXWRWIWPKDB-WKPIXPDZSA-N -1 0 390.505 3.081 50 0 GGAARM O=C(Nc1ccc(F)c(F)c1)c1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000012628067 570928243 /nfs/dbraw/zinc/92/82/43/570928243.db2.gz UFFKSDSMDGPVOH-UHFFFAOYSA-N -1 0 395.412 3.474 50 0 GGAARM O=C(CCc1ccccc1)Nc1cc(=O)nc2[n-]c(CCc3ccccc3)nn21 ZINC000017027279 570937521 /nfs/dbraw/zinc/93/75/21/570937521.db2.gz BRHHWNPYRRMYLO-UHFFFAOYSA-N -1 0 387.443 3.186 50 0 GGAARM COc1ccc([N-]S(=O)(=O)c2csc(C(=O)Nc3cc(C)on3)c2)cc1 ZINC000006681795 570938133 /nfs/dbraw/zinc/93/81/33/570938133.db2.gz OIUJHCDTXFBHMN-UHFFFAOYSA-N -1 0 393.446 3.106 50 0 GGAARM COc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1C(=O)Nc1ccccc1 ZINC000006706827 570938726 /nfs/dbraw/zinc/93/87/26/570938726.db2.gz LUNRQHNVCVPBQY-UHFFFAOYSA-N -1 0 383.429 3.143 50 0 GGAARM CCCC[C@@H](NC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)[O-] ZINC000002098717 570941659 /nfs/dbraw/zinc/94/16/59/570941659.db2.gz GKYPVQQLJOWVNR-MRXNPFEDSA-N -1 0 389.448 3.111 50 0 biogenic GGAARM CCCC[C@H](NC(=O)CCc1c(C)c2ccc(OC)c(C)c2oc1=O)C(=O)[O-] ZINC000002098715 570941669 /nfs/dbraw/zinc/94/16/69/570941669.db2.gz GKYPVQQLJOWVNR-INIZCTEOSA-N -1 0 389.448 3.111 50 0 biogenic GGAARM CC[C@H](NC(=O)CCc1c(C)c2cc3c(C)c(C)oc3cc2oc1=O)C(=O)[O-] ZINC000002100849 570942065 /nfs/dbraw/zinc/94/20/65/570942065.db2.gz DLHJQOOONKHWRX-INIZCTEOSA-N -1 0 385.416 3.376 50 0 biogenic GGAARM CCC[C@@H](NC(=O)Cc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002105180 570946761 /nfs/dbraw/zinc/94/67/61/570946761.db2.gz XYQYCALRXSYJIZ-MRXNPFEDSA-N -1 0 385.416 3.376 50 0 biogenic GGAARM COc1ccc([C@H]2CC(c3c([O-])cc(C)oc3=O)=NCCS2)cc1OC ZINC000005441561 570947565 /nfs/dbraw/zinc/94/75/65/570947565.db2.gz QSEUXIIIAQJIFL-QGZVFWFLSA-N -1 0 375.446 3.338 50 0 biogenic GGAARM CC[C@H](NC(=O)Cc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O)C(=O)[O-] ZINC000002107663 570948731 /nfs/dbraw/zinc/94/87/31/570948731.db2.gz ICFJHZSMJISNHR-INIZCTEOSA-N -1 0 385.416 3.295 50 0 biogenic GGAARM CCCC[C@@H](NC(=O)Cc1c(C)c2cc(Cl)c(OC)cc2oc1=O)C(=O)[O-] ZINC000002112494 570950603 /nfs/dbraw/zinc/95/06/03/570950603.db2.gz BQSLATADEQKSHX-CQSZACIVSA-N -1 0 395.839 3.066 50 0 biogenic GGAARM CCC(N[C@@H](C)c1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000001271023 570951869 /nfs/dbraw/zinc/95/18/69/570951869.db2.gz URKFDSIIRKYSHW-HLAUDOPJSA-N -1 0 393.443 3.293 50 0 GGAARM CO[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@](C)(C(=O)[O-])C1 ZINC000521398763 570953924 /nfs/dbraw/zinc/95/39/24/570953924.db2.gz LMPQFWMCCLLYFK-FPTDNZKUSA-N -1 0 381.428 3.500 50 0 GGAARM COc1ccccc1CNC(=O)Cc1c(C)c2cc(Cl)c([O-])cc2oc1=O ZINC000004742600 570956957 /nfs/dbraw/zinc/95/69/57/570956957.db2.gz BDDRTQSBYAOEPW-UHFFFAOYSA-N -1 0 387.819 3.328 50 0 GGAARM CCCc1cc(=O)oc2cc(C)cc(OCC(=O)N[C@H](C(=O)[O-])[C@@H](C)CC)c12 ZINC000002125398 570957582 /nfs/dbraw/zinc/95/75/82/570957582.db2.gz DKKMDJAUHUGURW-RBZFPXEDSA-N -1 0 389.448 3.048 50 0 biogenic GGAARM COc1ccc([C@@H](CC(=O)[O-])c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000003132265 570967115 /nfs/dbraw/zinc/96/71/15/570967115.db2.gz GUSXBPIONWQUKJ-CQSZACIVSA-N -1 0 376.405 3.336 50 0 GGAARM COc1cc(Nc2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)nc(C)n1 ZINC000012226199 570968488 /nfs/dbraw/zinc/96/84/88/570968488.db2.gz QMJBMWGNZYJUJO-UHFFFAOYSA-N -1 0 388.424 3.477 50 0 GGAARM Cc1cc(O[C@@H](C)C(=O)NCCCCCC(=O)[O-])c2c(C)c(C)c(=O)oc2c1 ZINC000002153425 570973106 /nfs/dbraw/zinc/97/31/06/570973106.db2.gz PDSVDASCOOWDRM-HNNXBMFYSA-N -1 0 389.448 3.247 50 0 biogenic GGAARM O=C([O-])CCCCCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000004769661 570973204 /nfs/dbraw/zinc/97/32/04/570973204.db2.gz IPBZKTMLUNGVIT-KNTRCKAVSA-N -1 0 380.444 3.219 50 0 GGAARM COC(=O)c1sccc1S(=O)(=O)NC[C@@H](c1ccco1)c1cccs1 ZINC000585146681 570975779 /nfs/dbraw/zinc/97/57/79/570975779.db2.gz BNMMCCKIUMDRJF-NSHDSACASA-N -1 0 397.499 3.300 50 0 GGAARM CCCOC(=O)c1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)cc1 ZINC000002549197 1398312766 /nfs/dbraw/zinc/31/27/66/1398312766.db2.gz SFGPWDGHKTYCKU-UHFFFAOYSA-N -1 0 392.411 3.082 50 0 GGAARM O=C([O-])CCNC(=O)/C(=C\c1cccc2ccccc12)NC(=O)c1ccccc1 ZINC000002990430 1398323828 /nfs/dbraw/zinc/32/38/28/1398323828.db2.gz MDPLRKWXZJYOSS-HMMYKYKNSA-N -1 0 388.423 3.202 50 0 GGAARM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)N1CC=C(c2ccccc2)CC1 ZINC000003043579 1398325603 /nfs/dbraw/zinc/32/56/03/1398325603.db2.gz QAKUVVFMPQOWLL-UHFFFAOYSA-N -1 0 377.469 3.375 50 0 GGAARM CCCOc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)Cc2ccccc2)cc1 ZINC000003623749 1398375448 /nfs/dbraw/zinc/37/54/48/1398375448.db2.gz ALLOXWGVTHBAKR-GOSISDBHSA-N -1 0 377.462 3.111 50 0 GGAARM CC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)c(=O)[n-]2)cc1 ZINC000004317362 1398392325 /nfs/dbraw/zinc/39/23/25/1398392325.db2.gz DNZYCGXVOPCDIS-UHFFFAOYSA-N -1 0 394.456 3.101 50 0 GGAARM CCc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)c(=O)[n-]1 ZINC000004317413 1398392377 /nfs/dbraw/zinc/39/23/77/1398392377.db2.gz AWVVAQKVVRUSSZ-UHFFFAOYSA-N -1 0 380.473 3.461 50 0 GGAARM CCCCOC(=O)c1ccc(NC(=O)c2c([O-])c3ccccc3n(C)c2=O)cc1 ZINC000005894428 1398490121 /nfs/dbraw/zinc/49/01/21/1398490121.db2.gz UFFVBKUDZXDGLU-UHFFFAOYSA-N -1 0 394.427 3.453 50 0 GGAARM O=C(Nc1ncccc1O)c1c([O-])c2ccccc2n(Cc2ccccc2)c1=O ZINC000008395831 1398828468 /nfs/dbraw/zinc/82/84/68/1398828468.db2.gz IGKJELTYOHYLAG-UHFFFAOYSA-N -1 0 387.395 3.108 50 0 GGAARM COC(=O)c1c(SCC(=O)Nc2ccccc2OC)[n-]c2ccccc2c1=O ZINC000008619231 1398841821 /nfs/dbraw/zinc/84/18/21/1398841821.db2.gz PFBBLWVIIJJTHN-UHFFFAOYSA-N -1 0 398.440 3.054 50 0 GGAARM Cc1oc2cc3oc(=O)c(CC(=O)N4CCC[C@H](C(=O)[O-])C4)c(C)c3cc2c1C ZINC000008764354 1398846163 /nfs/dbraw/zinc/84/61/63/1398846163.db2.gz QADHZFBIOZXPRB-AWEZNQCLSA-N -1 0 397.427 3.330 50 0 biogenic GGAARM O=C1[N-]C(=O)[C@@]2(Cc3ccccc3N3CCC[C@H]32)C(=O)N1c1ccc(F)cc1 ZINC000008995282 1398851489 /nfs/dbraw/zinc/85/14/89/1398851489.db2.gz SSWBPOGUYBIMJC-UWJYYQICSA-N -1 0 379.391 3.460 50 0 GGAARM O=C1[N-]C(=O)[C@]2(Cc3ccccc3N3CCC[C@@H]32)C(=O)N1c1ccc(F)cc1 ZINC000008995279 1398851591 /nfs/dbraw/zinc/85/15/91/1398851591.db2.gz SSWBPOGUYBIMJC-DYESRHJHSA-N -1 0 379.391 3.460 50 0 GGAARM Cc1ccc2c(c1)C[C@@]1(CN2C)C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O ZINC000009245390 1398855705 /nfs/dbraw/zinc/85/57/05/1398855705.db2.gz ZXQHGQWZEWGNBA-OAQYLSRUSA-N -1 0 397.862 3.219 50 0 GGAARM CCC(Nc1ccccc1F)=C1C(=O)[N-]C(=O)N(c2ccc(OC)cc2)C1=O ZINC000009329708 1398856843 /nfs/dbraw/zinc/85/68/43/1398856843.db2.gz FSEFWAQTDRYSMT-BMRADRMJSA-N -1 0 383.379 3.193 50 0 GGAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)Nc1ccc(CCO)cc1 ZINC000009420132 1398858372 /nfs/dbraw/zinc/85/83/72/1398858372.db2.gz OSHBGFNBGPHNKP-UHFFFAOYSA-N -1 0 387.819 3.176 50 0 GGAARM CC(=O)c1cccc(NC(=O)c2ccc3nc([N-]S(C)(=O)=O)sc3c2)c1 ZINC000009421788 1398858414 /nfs/dbraw/zinc/85/84/14/1398858414.db2.gz FNMHACNHWXUUJP-UHFFFAOYSA-N -1 0 389.458 3.123 50 0 GGAARM O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000012360658 1399040057 /nfs/dbraw/zinc/04/00/57/1399040057.db2.gz LQJQYLPKLBSANF-RRFJBIMHSA-N -1 0 386.477 3.042 50 0 GGAARM Cc1coc2cc3oc(=O)c(CC(=O)N4CCC[C@H](C(=O)[O-])C4)c(C)c3cc12 ZINC000012895486 1399064581 /nfs/dbraw/zinc/06/45/81/1399064581.db2.gz HMYAOGSSDHMCLH-ZDUSSCGKSA-N -1 0 383.400 3.022 50 0 biogenic GGAARM O=C([O-])CCC(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 ZINC000017079436 1399271365 /nfs/dbraw/zinc/27/13/65/1399271365.db2.gz KZEDYXZCQHYSFF-UHFFFAOYSA-N -1 0 389.248 3.372 50 0 GGAARM CCN1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccccc2Cl)CC1 ZINC000022468481 1399466149 /nfs/dbraw/zinc/46/61/49/1399466149.db2.gz FXJACRBNXDTHHH-HNNXBMFYSA-N -1 0 391.928 3.185 50 0 GGAARM CCN1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccccc2Cl)CC1 ZINC000022468486 1399466199 /nfs/dbraw/zinc/46/61/99/1399466199.db2.gz FXJACRBNXDTHHH-OAHLLOKOSA-N -1 0 391.928 3.185 50 0 GGAARM CCc1nc2sc([C@H](c3cccc(C)c3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022578074 1399479271 /nfs/dbraw/zinc/47/92/71/1399479271.db2.gz QTTWRAINKSGMFW-KRWDZBQOSA-N -1 0 385.537 3.094 50 0 GGAARM CCc1nc2sc([C@@H](c3ccccc3Cl)N3CCN(C)CC3)c([O-])n2n1 ZINC000022577800 1399479432 /nfs/dbraw/zinc/47/94/32/1399479432.db2.gz LVMYEXCANWIJGI-OAHLLOKOSA-N -1 0 391.928 3.049 50 0 GGAARM Cc1nc(N2CCN(Cc3ccc(C(=O)[O-])cc3)CC2)c(C#N)c(C)c1Cl ZINC000065371770 1408664383 /nfs/dbraw/zinc/66/43/83/1408664383.db2.gz HMPDJVBDZGNJMC-UHFFFAOYSA-N -1 0 384.867 3.244 50 0 GGAARM O=C([O-])CCC(=O)N1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067871974 1409247080 /nfs/dbraw/zinc/24/70/80/1409247080.db2.gz NHOACNHASBRDFR-UHFFFAOYSA-N -1 0 398.440 3.255 50 0 GGAARM CC(C)Oc1ccc(C(=O)N(C)C)cc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000070666554 1409747671 /nfs/dbraw/zinc/74/76/71/1409747671.db2.gz IRMWWJYXYZJTAT-UHFFFAOYSA-N -1 0 384.432 3.055 50 0 biogenic GGAARM CCCCOc1ccc(S(=O)(=O)[N-]c2c(C)nc(N(C)C)nc2C)cc1 ZINC000096098607 1410323453 /nfs/dbraw/zinc/32/34/53/1410323453.db2.gz KRWGKHHRAXGDEK-UHFFFAOYSA-N -1 0 378.498 3.139 50 0 GGAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(N2CC[C@H](OC)C2)cc1 ZINC000096122375 1410324461 /nfs/dbraw/zinc/32/44/61/1410324461.db2.gz GOIRBXJVDFCFSI-INIZCTEOSA-N -1 0 396.896 3.375 50 0 GGAARM O=C([O-])CCC/C=C/C[C@@H]1[C@H](O)C[C@@H](O)[C@@H]1CC[C@H](O)CCc1ccccc1 ZINC000100306934 1410437626 /nfs/dbraw/zinc/43/76/26/1410437626.db2.gz HNPFPERDNWXAGS-QJUXOGTPSA-N -1 0 390.520 3.319 50 0 GGAARM COCc1cc(=O)n2[n-]c(Cc3ccccc3)c(-c3ccccc3OC)c2n1 ZINC000100579930 1410438353 /nfs/dbraw/zinc/43/83/53/1410438353.db2.gz CMLVYKKSAIGDCD-UHFFFAOYSA-N -1 0 375.428 3.435 50 0 GGAARM COc1ccc(C[C@@H](C(=O)Nc2ccc(C(C)C)cc2)c2nnn[n-]2)c(OC)c1 ZINC000006359031 1428958843 /nfs/dbraw/zinc/95/88/43/1428958843.db2.gz HYFAFFOKZFZXIK-GOSISDBHSA-N -1 0 395.463 3.305 50 0 GGAARM Fc1ccccc1COc1ccc(Br)cc1CNc1nnn[n-]1 ZINC000004943034 1423390866 /nfs/dbraw/zinc/39/08/66/1423390866.db2.gz MFQCVJGRDGRUKO-UHFFFAOYSA-N -1 0 378.205 3.292 50 0 GGAARM COc1ccccc1C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1nnn[n-]1 ZINC000005486153 1426977103 /nfs/dbraw/zinc/97/71/03/1426977103.db2.gz WLQZTVQBKUWRON-CQSZACIVSA-N -1 0 391.353 3.192 50 0 GGAARM CC[C@H](C)[C@@H](NC(=O)CCn1ccc2cc(Br)ccc21)C(=O)[O-] ZINC000206213465 1433353531 /nfs/dbraw/zinc/35/35/31/1433353531.db2.gz WFUFRDLDHGCTPI-MEDUHNTESA-N -1 0 381.270 3.409 50 0 GGAARM CC[C@H](C)[C@@H](NC(=O)CCn1ccc2c1cccc2Br)C(=O)[O-] ZINC000206410767 1433353674 /nfs/dbraw/zinc/35/36/74/1433353674.db2.gz AAUYDHONFRIVEV-MEDUHNTESA-N -1 0 381.270 3.409 50 0 GGAARM CC[C@@H](C)[C@@H](NC(=O)CCn1ccc2c1cccc2Br)C(=O)[O-] ZINC000206410734 1433353788 /nfs/dbraw/zinc/35/37/88/1433353788.db2.gz AAUYDHONFRIVEV-BDJLRTHQSA-N -1 0 381.270 3.409 50 0 GGAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(-c2ccccc2)on1 ZINC000095372407 958333740 /nfs/dbraw/zinc/33/37/40/958333740.db2.gz PVRIEOSYYQMQLP-SFHVURJKSA-N -1 0 375.384 3.249 50 0 GGAARM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)Nc1cccc(N2CCC2=O)c1 ZINC000263105468 962256681 /nfs/dbraw/zinc/25/66/81/962256681.db2.gz VDGQVGBNIVYLCR-QGZVFWFLSA-N -1 0 381.432 3.021 50 0 GGAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)CCC(=O)c2cccs2)c(OC)c1 ZINC000263225741 962377618 /nfs/dbraw/zinc/37/76/18/962377618.db2.gz ANTFJIYNZZMGAB-CQSZACIVSA-N -1 0 391.445 3.060 50 0 GGAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(Cl)s2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000091519431 230963006 /nfs/dbraw/zinc/96/30/06/230963006.db2.gz LADIZAWWALVEHB-WDEREUQCSA-N -1 0 379.821 3.071 50 0 GGAARM Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095378218 230983769 /nfs/dbraw/zinc/98/37/69/230983769.db2.gz AYKQUDGMBGKYAL-GOSISDBHSA-N -1 0 392.459 3.373 50 0 GGAARM O=C([O-])CSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2s1 ZINC000103776458 231014630 /nfs/dbraw/zinc/01/46/30/231014630.db2.gz VZTDFPITEHSIGM-PHIMTYICSA-N -1 0 376.459 3.153 50 0 GGAARM Cc1cccc([C@@H](NC(=O)N2CCN(c3cc(C)cc(C)c3)CC2)C(=O)[O-])c1 ZINC000426597453 231245341 /nfs/dbraw/zinc/24/53/41/231245341.db2.gz VQGAZNSRZDPVJK-HXUWFJFHSA-N -1 0 381.476 3.269 50 0 GGAARM CC(C)(C)c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)C[C@@H](C(=O)[O-])O2 ZINC000226087793 222704566 /nfs/dbraw/zinc/70/45/66/222704566.db2.gz BCPVEPDWXQDIFA-KRWDZBQOSA-N -1 0 375.446 3.025 50 0 GGAARM COC(=O)[C@@]([N-]c1nc2ccccc2s1)(NC(=O)CC(C)C)C(F)(F)F ZINC000002050505 212262263 /nfs/dbraw/zinc/26/22/63/212262263.db2.gz IACOTOHRRAUKMA-HNNXBMFYSA-N -1 0 389.399 3.302 50 0 GGAARM CCCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1 ZINC000001752397 212255923 /nfs/dbraw/zinc/25/59/23/212255923.db2.gz UBFUBSWDYNYPRL-UHFFFAOYSA-N -1 0 382.873 3.450 50 0 GGAARM O=C([O-])c1ccc(NC(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 ZINC000001508464 212248187 /nfs/dbraw/zinc/24/81/87/212248187.db2.gz VTNNGWNBFJKWGV-UHFFFAOYSA-N -1 0 386.363 3.438 50 0 GGAARM Cc1cccc(NC(=O)CSC2=Nc3ccc(Cl)cc3S(=O)(=O)[N-]2)c1 ZINC000009761958 212239633 /nfs/dbraw/zinc/23/96/33/212239633.db2.gz JGGABBASNYAJJX-UHFFFAOYSA-N -1 0 395.893 3.491 50 0 GGAARM Cc1ccccc1NC(=O)Cc1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000009828702 212235841 /nfs/dbraw/zinc/23/58/41/212235841.db2.gz CHLRBEXGTDWGRT-UHFFFAOYSA-N -1 0 387.486 3.434 50 0 GGAARM O=C(Cc1csc([N-]S(=O)(=O)c2ccccc2)n1)NCC1CCCCC1 ZINC000009828734 212235471 /nfs/dbraw/zinc/23/54/71/212235471.db2.gz JMBAHDKUIHPACC-UHFFFAOYSA-N -1 0 393.534 3.183 50 0 GGAARM COc1c2ccoc2c(OC)c2c1C([O-])=C[C@@](O)(C(F)(F)C(F)(F)F)O2 ZINC000001280328 212234044 /nfs/dbraw/zinc/23/40/44/212234044.db2.gz WFLIXXGKBJIJIG-ZDUSSCGKSA-N -1 0 382.237 3.301 50 0 biogenic GGAARM CCC(NCCc1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000001267640 212233749 /nfs/dbraw/zinc/23/37/49/212233749.db2.gz LLMUDHAVJGSNRD-ISLYRVAYSA-N -1 0 397.862 3.419 50 0 GGAARM CCCn1c2ccccc2c([O-])c(C(=O)NCc2ccc(OC)c(OC)c2)c1=O ZINC000001248156 212232448 /nfs/dbraw/zinc/23/24/48/212232448.db2.gz LRCVTILNHDSWLF-UHFFFAOYSA-N -1 0 396.443 3.064 50 0 GGAARM O=C([O-])c1ccc(-n2nnnc2SCc2ccccc2Br)cc1 ZINC000001249958 212232046 /nfs/dbraw/zinc/23/20/46/212232046.db2.gz PRYMABSVHCLHPB-UHFFFAOYSA-N -1 0 391.250 3.415 50 0 GGAARM CSc1nnc2c(n1)O[C@H](c1ccc(OCC(=O)[O-])cc1)Nc1ccccc1-2 ZINC000001207303 212229706 /nfs/dbraw/zinc/22/97/06/212229706.db2.gz WDTZPAHREWFMEJ-QGZVFWFLSA-N -1 0 396.428 3.227 50 0 GGAARM O=Cc1ccc(OCc2ccc(C(=O)[O-])cc2)c(I)c1 ZINC000001174928 212225056 /nfs/dbraw/zinc/22/50/56/212225056.db2.gz DNHUNZZGLNOPOI-UHFFFAOYSA-N -1 0 382.153 3.381 50 0 GGAARM COc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2ccc(O)cc2)cc1 ZINC000001148113 212223410 /nfs/dbraw/zinc/22/34/10/212223410.db2.gz AOHAWVDKEKBTHF-UHFFFAOYSA-N -1 0 380.400 3.270 50 0 GGAARM Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)n1C ZINC000001143958 212222834 /nfs/dbraw/zinc/22/28/34/212222834.db2.gz HBMCTAGEUZPZMK-UHFFFAOYSA-N -1 0 382.445 3.220 50 0 GGAARM Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1 ZINC000001124872 212220676 /nfs/dbraw/zinc/22/06/76/212220676.db2.gz MXZTXYOLUDZLSL-UHFFFAOYSA-N -1 0 387.486 3.434 50 0 GGAARM CC(C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000001115797 212219498 /nfs/dbraw/zinc/21/94/98/212219498.db2.gz IEOGLFMLRJABGD-UHFFFAOYSA-N -1 0 397.294 3.388 50 0 GGAARM Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)o1 ZINC000001114274 212219009 /nfs/dbraw/zinc/21/90/09/212219009.db2.gz DPIGCRRVKSEAFA-RMKNXTFCSA-N -1 0 389.458 3.497 50 0 GGAARM O=C(CSc1nc([O-])cc(=O)n1-c1ccccc1)Nc1ccccc1Cl ZINC000001072030 212213962 /nfs/dbraw/zinc/21/39/62/212213962.db2.gz LDIZBJXVCQVZHH-UHFFFAOYSA-N -1 0 387.848 3.322 50 0 GGAARM Cc1ccc(C(=O)NC([N-]c2ncccn2)(C(F)(F)F)C(F)(F)F)cc1 ZINC000001042115 212208979 /nfs/dbraw/zinc/20/89/79/212208979.db2.gz PSIUBSDCXTYVQL-UHFFFAOYSA-N -1 0 378.276 3.448 50 0 GGAARM COC(=O)c1ccc(C(=O)OC)c([N-]S(=O)(=O)c2ccc3ccccc3c2)c1 ZINC000001063503 212212093 /nfs/dbraw/zinc/21/20/93/212212093.db2.gz GURCLPXZWCRPAT-UHFFFAOYSA-N -1 0 399.424 3.214 50 0 GGAARM Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c(C)o1 ZINC000001054831 212210944 /nfs/dbraw/zinc/21/09/44/212210944.db2.gz YTIKWNVHVMXLGR-UHFFFAOYSA-N -1 0 377.447 3.406 50 0 GGAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccoc3C)cc2)c1C ZINC000000998432 212203708 /nfs/dbraw/zinc/20/37/08/212203708.db2.gz ZISKWQOROKXNJW-UHFFFAOYSA-N -1 0 375.406 3.246 50 0 GGAARM Cc1cccc(Nc2ccncc2S(=O)(=O)[N-]C(=O)NC2CCCCC2)c1 ZINC000000987819 212203025 /nfs/dbraw/zinc/20/30/25/212203025.db2.gz ZHRQLPDDGKMPAP-UHFFFAOYSA-N -1 0 388.493 3.454 50 0 GGAARM O=C1NC(=O)C(=Cc2cc(Br)cc(Br)c2[O-])S1 ZINC000000975808 212200736 /nfs/dbraw/zinc/20/07/36/212200736.db2.gz KBGVYNIFHLQHBW-FARCUNLSSA-N -1 0 379.029 3.241 50 0 GGAARM CCCc1ccc(N2CCN(C(=O)/C=C(\C(=O)[O-])c3ccccc3)CC2)cc1 ZINC000001019575 212206442 /nfs/dbraw/zinc/20/64/42/212206442.db2.gz UQEHCAVOSMTNPF-FXBPSFAMSA-N -1 0 378.472 3.456 50 0 GGAARM O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(c2ccc(OC(F)F)cc2)C1=O ZINC000000917015 212194797 /nfs/dbraw/zinc/19/47/97/212194797.db2.gz FVUNDMKBSBSVJL-CQSZACIVSA-N -1 0 393.367 3.410 50 0 GGAARM CC(C)C(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 ZINC000000860684 212189342 /nfs/dbraw/zinc/18/93/42/212189342.db2.gz TYAUFLBWFKWMJJ-UHFFFAOYSA-N -1 0 380.853 3.053 50 0 GGAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000000898180 212193621 /nfs/dbraw/zinc/19/36/21/212193621.db2.gz IZTVOMIYMUWMEU-UHFFFAOYSA-N -1 0 394.452 3.431 50 0 GGAARM COc1ccc(C2=NN(C(=O)CCCC(=O)[O-])[C@H](c3ccco3)C2)cc1OC ZINC000000801910 212182361 /nfs/dbraw/zinc/18/23/61/212182361.db2.gz OQMRCSQVEQEXHL-HNNXBMFYSA-N -1 0 386.404 3.229 50 0 GGAARM COc1ccc(Cl)cc1NC(=O)c1ccccc1NC(=O)CCC(=O)[O-] ZINC000000807255 212184249 /nfs/dbraw/zinc/18/42/49/212184249.db2.gz LMDPTEYCDNGFSX-UHFFFAOYSA-N -1 0 376.796 3.404 50 0 GGAARM COc1cccc([C@H]2CC(c3c([O-])cc(C)oc3=O)=NCCS2)c1OC ZINC000000754310 212179146 /nfs/dbraw/zinc/17/91/46/212179146.db2.gz NKJWVTRBKYQDNZ-MRXNPFEDSA-N -1 0 375.446 3.338 50 0 GGAARM Cc1ccc(S(=O)(=O)[N-]N2C(=O)c3ccccc3NC23CCCCC3)cc1 ZINC000000720177 212178194 /nfs/dbraw/zinc/17/81/94/212178194.db2.gz AOJTZTPZUXKPBJ-UHFFFAOYSA-N -1 0 385.489 3.417 50 0 GGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cccc(F)c1 ZINC000000727313 212177923 /nfs/dbraw/zinc/17/79/23/212177923.db2.gz ZPSCMNOIZQJCRE-UHFFFAOYSA-N -1 0 377.422 3.335 50 0 GGAARM O=S(=O)([N-]c1ccccn1)c1ccc(Br)cc1Br ZINC000000705136 212175841 /nfs/dbraw/zinc/17/58/41/212175841.db2.gz FPAGICZYGRUDMN-UHFFFAOYSA-N -1 0 392.072 3.407 50 0 GGAARM Cc1occc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000000659121 212170861 /nfs/dbraw/zinc/17/08/61/212170861.db2.gz RQINCUSXPWXGTF-UHFFFAOYSA-N -1 0 386.433 3.048 50 0 GGAARM O=S(=O)([N-]c1ccc(Cl)cn1)c1cnc(Cl)c(Br)c1 ZINC000000703803 212175146 /nfs/dbraw/zinc/17/51/46/212175146.db2.gz DJIRXHHPTVGHLW-UHFFFAOYSA-N -1 0 383.054 3.347 50 0 GGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)no1 ZINC000000677913 212173591 /nfs/dbraw/zinc/17/35/91/212173591.db2.gz BXVDEPCYVWZVMP-UHFFFAOYSA-N -1 0 375.381 3.175 50 0 GGAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000000627507 212166092 /nfs/dbraw/zinc/16/60/92/212166092.db2.gz JLLQRJMHANEIOZ-IAGOWNOFSA-N -1 0 380.444 3.446 50 0 GGAARM O=C(Nc1ccccc1)C(=C([O-])c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000000640412 212168742 /nfs/dbraw/zinc/16/87/42/212168742.db2.gz WQOXKJJLPYRVQN-FQEVSTJZSA-N -1 0 379.437 3.351 50 0 GGAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3C)s1 ZINC000009165673 212163191 /nfs/dbraw/zinc/16/31/91/212163191.db2.gz SGGPRBCQYZCXMQ-UHFFFAOYSA-N -1 0 394.518 3.493 50 0 GGAARM CC1(C)COc2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc2NC1=O ZINC000009168643 212164380 /nfs/dbraw/zinc/16/43/80/212164380.db2.gz PSWDWLRBJJLMRP-UHFFFAOYSA-N -1 0 382.388 3.123 50 0 GGAARM CN1c2ccc([N-]S(=O)(=O)c3ccccc3F)cc2OCC(C)(C)C1=O ZINC000009165475 212164165 /nfs/dbraw/zinc/16/41/65/212164165.db2.gz CNQQEZGIFDYUHE-UHFFFAOYSA-N -1 0 378.425 3.008 50 0 GGAARM C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccccc3C(=O)[O-])C(=O)N21 ZINC000004084744 212147103 /nfs/dbraw/zinc/14/71/03/212147103.db2.gz AJQRWQROQKHODQ-GTNSWQLSSA-N -1 0 375.384 3.321 50 0 biogenic GGAARM C[C@@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(c3ccccc3C(=O)[O-])C(=O)N21 ZINC000004084743 212145581 /nfs/dbraw/zinc/14/55/81/212145581.db2.gz AJQRWQROQKHODQ-DIFFPNOSSA-N -1 0 375.384 3.321 50 0 biogenic GGAARM COc1ccccc1-c1nc(CC(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)cs1 ZINC000245256745 212133972 /nfs/dbraw/zinc/13/39/72/212133972.db2.gz SFKUMKPOLBZLAF-HDJSIYSDSA-N -1 0 388.489 3.368 50 0 GGAARM O=C(Cn1ccc2cc(Br)ccc21)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238950452 212133250 /nfs/dbraw/zinc/13/32/50/212133250.db2.gz YAYPJXZLUHBEET-JOCQHMNTSA-N -1 0 393.281 3.411 50 0 GGAARM CCCCOc1ccc(-c2cc3c4nnc(CCC(=O)[O-])n4ccn3n2)cc1 ZINC000057509162 212132588 /nfs/dbraw/zinc/13/25/88/212132588.db2.gz BPDGTTPEOJUGTQ-UHFFFAOYSA-N -1 0 379.420 3.240 50 0 GGAARM CC(=O)N[C@H](CS[C@H](CC(=O)c1ccco1)c1ccc(C)cc1)C(=O)[O-] ZINC000001896367 220500362 /nfs/dbraw/zinc/50/03/62/220500362.db2.gz BRJQWYCYACSFKM-CRAIPNDOSA-N -1 0 375.446 3.225 50 0 GGAARM CCCC[C@H](NC(=O)[C@@H](C)Oc1ccc2c(CC)cc(=O)oc2c1C)C(=O)[O-] ZINC000002095257 220503444 /nfs/dbraw/zinc/50/34/44/220503444.db2.gz MBSGLPJJKZLHQA-CJNGLKHVSA-N -1 0 389.448 3.191 50 0 biogenic GGAARM CC[C@@H](NC(=O)Cc1c(C)c2cc3c(cc2oc1=O)oc1c3CCCC1)C(=O)[O-] ZINC000002102202 220503616 /nfs/dbraw/zinc/50/36/16/220503616.db2.gz LJUQQAQFWQGEAX-MRXNPFEDSA-N -1 0 397.427 3.248 50 0 biogenic GGAARM CCCC[C@@H](NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)[O-] ZINC000002152961 220507472 /nfs/dbraw/zinc/50/74/72/220507472.db2.gz HFMIDTLQURAZSF-MRXNPFEDSA-N -1 0 385.416 3.458 50 0 biogenic GGAARM COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)Cc1ccc(Cl)cc1 ZINC000002220341 220510896 /nfs/dbraw/zinc/51/08/96/220510896.db2.gz LOIPZMAPYHJAFJ-UHFFFAOYSA-N -1 0 378.837 3.103 50 0 GGAARM CCCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2OC)cc1 ZINC000002233476 220514095 /nfs/dbraw/zinc/51/40/95/220514095.db2.gz VSPXWDBFHZAZNN-UHFFFAOYSA-N -1 0 388.445 3.309 50 0 GGAARM COc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)[O-])c3n2)cc(OC)c1OC ZINC000002305666 220519324 /nfs/dbraw/zinc/51/93/24/220519324.db2.gz ZSJWUTDWLJSARP-UHFFFAOYSA-N -1 0 397.309 3.139 50 0 GGAARM NC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCCCC2 ZINC000002746967 220559872 /nfs/dbraw/zinc/55/98/72/220559872.db2.gz DIBZRFNZKOOPEM-NEPJUHHUSA-N -1 0 376.478 3.112 50 0 GGAARM CCc1n[n-]c(=NN2C(=O)c3ccccc3[C@@]2(O)c2ccc(Cl)cc2)s1 ZINC000002874562 220579311 /nfs/dbraw/zinc/57/93/11/220579311.db2.gz YKVQPAYAPJKQEA-SFHVURJKSA-N -1 0 386.864 3.430 50 0 GGAARM CSCC[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000002944272 220587306 /nfs/dbraw/zinc/58/73/06/220587306.db2.gz XOCPVFBNIIAYDD-KRWDZBQOSA-N -1 0 386.473 3.183 50 0 GGAARM C[C@H](Oc1ccc2c(c1)oc(=O)cc2-c1ccccc1)C(=O)NCCCC(=O)[O-] ZINC000003071211 220603479 /nfs/dbraw/zinc/60/34/79/220603479.db2.gz MXAWMZLGGCGBRN-AWEZNQCLSA-N -1 0 395.411 3.208 50 0 biogenic GGAARM C[C@@]12c3[nH]c4ccccc4c3CCN1C(=O)N(c1ccccc1C(=O)[O-])C2=O ZINC000004062119 220677078 /nfs/dbraw/zinc/67/70/78/220677078.db2.gz XJLRNSJOOZWWQR-NRFANRHFSA-N -1 0 375.384 3.106 50 0 biogenic GGAARM CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)CC(=O)[O-] ZINC000004240289 220697050 /nfs/dbraw/zinc/69/70/50/220697050.db2.gz MAHOLRAVFZCBFL-INIZCTEOSA-N -1 0 394.468 3.451 50 0 GGAARM CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(Br)cc2)CC1 ZINC000004241769 220697073 /nfs/dbraw/zinc/69/70/73/220697073.db2.gz DTTRKFMUGVQBHY-CQSZACIVSA-N -1 0 399.285 3.128 50 0 GGAARM COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3C)[n-]c2=O)cc1 ZINC000004317411 220705249 /nfs/dbraw/zinc/70/52/49/220705249.db2.gz OIDYEPWJQMBETM-UHFFFAOYSA-N -1 0 396.472 3.216 50 0 GGAARM CCOc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)ccc1OC(=O)c1cccs1 ZINC000004556459 220731525 /nfs/dbraw/zinc/73/15/25/220731525.db2.gz JIHHGXRPBUHILB-IAQYHMDHSA-N -1 0 379.459 3.154 50 0 GGAARM CSc1nsc(SCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000005059870 220822871 /nfs/dbraw/zinc/82/28/71/220822871.db2.gz YCVGYAGGUYIFLA-UHFFFAOYSA-N -1 0 375.884 3.342 50 0 GGAARM CC(=O)c1ccc(NC(=O)[C@@]2(CC(=O)[O-])CC(c3ccc(F)cc3)=NO2)cc1 ZINC000005451935 220872806 /nfs/dbraw/zinc/87/28/06/220872806.db2.gz LZYYFCJMQVOODB-FQEVSTJZSA-N -1 0 384.363 3.005 50 0 GGAARM NC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCCCCC2 ZINC000005725571 220893858 /nfs/dbraw/zinc/89/38/58/220893858.db2.gz VHMOGCXEKBECKN-NWDGAFQWSA-N -1 0 378.494 3.336 50 0 GGAARM CC(Nc1ccc2c(c1)CCC2)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000005739786 220896648 /nfs/dbraw/zinc/89/66/48/220896648.db2.gz DLHFFBPWOVJVAB-XMHGGMMESA-N -1 0 375.428 3.453 50 0 GGAARM Cc1c(C)c2ccc(O[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)[O-])c(C)c2oc1=O ZINC000006417470 220933937 /nfs/dbraw/zinc/93/39/37/220933937.db2.gz CDKWACSMHPTBAQ-GDBMZVCRSA-N -1 0 389.448 3.101 50 0 GGAARM O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=C1C[C@@H](c2cccs2)NN1 ZINC000008971054 221066432 /nfs/dbraw/zinc/06/64/32/221066432.db2.gz PBYDFOIAINOSOL-CDZMIXDFSA-N -1 0 388.836 3.318 50 0 GGAARM CCC(Nc1ccc(N(C)C)cc1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000008970945 221065769 /nfs/dbraw/zinc/06/57/69/221065769.db2.gz VKQWGPKZRRHXBR-HTXNQAPBSA-N -1 0 392.459 3.420 50 0 GGAARM CCN1C(=O)N/C(=C/c2cn(Cc3cccc(C(=O)[O-])c3)c3ccccc23)C1=O ZINC000009189745 221073670 /nfs/dbraw/zinc/07/36/70/221073670.db2.gz VYTCTDLBZKCOEL-WOJGMQOQSA-N -1 0 389.411 3.300 50 0 GGAARM O=C([O-])c1c2c(sc1NC(=O)N1CCN(Cc3ccccc3)CC1)CCC2 ZINC000009303379 221076692 /nfs/dbraw/zinc/07/66/92/221076692.db2.gz CZKGMSCEGYTLSH-UHFFFAOYSA-N -1 0 385.489 3.285 50 0 GGAARM CCC(NNc1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000009329880 221078317 /nfs/dbraw/zinc/07/83/17/221078317.db2.gz CYSJTDPTOZEJSL-FOCLMDBBSA-N -1 0 384.823 3.204 50 0 GGAARM CC(Nc1ccc2c(c1)CCC2)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000009350871 221078966 /nfs/dbraw/zinc/07/89/66/221078966.db2.gz YUTCXZISKILBHG-XMHGGMMESA-N -1 0 375.428 3.140 50 0 GGAARM O=C([O-])c1ccc(N2C(=O)C/C(=C\c3c(F)c(F)c(F)c(F)c3F)C2=O)cc1 ZINC000008990988 221066585 /nfs/dbraw/zinc/06/65/85/221066585.db2.gz ZUAXUZAWFFBPOW-VMPITWQZSA-N -1 0 397.255 3.427 50 0 GGAARM Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1C(=O)NCc1ccccc1 ZINC000008977691 221067169 /nfs/dbraw/zinc/06/71/69/221067169.db2.gz QDBPXDMRKXZIHD-UHFFFAOYSA-N -1 0 387.486 3.182 50 0 GGAARM O=C(C1CC1)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc2C1 ZINC000008977388 221067232 /nfs/dbraw/zinc/06/72/32/221067232.db2.gz BVAMPRAEUSSTEH-UHFFFAOYSA-N -1 0 392.427 3.060 50 0 GGAARM Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccc4nccnc4c3)C2)cc1 ZINC000011692671 221121357 /nfs/dbraw/zinc/12/13/57/221121357.db2.gz BSGLEZROVVPGFA-FQEVSTJZSA-N -1 0 388.427 3.481 50 0 GGAARM CCCCNC(=O)[N-]S(=O)(=O)c1ccc(Nc2ncnc3ccccc32)cc1 ZINC000011990854 221141326 /nfs/dbraw/zinc/14/13/26/221141326.db2.gz NRICUTPTDDXVLL-UHFFFAOYSA-N -1 0 399.476 3.161 50 0 GGAARM CCCc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C(=O)OC)cc1 ZINC000012557159 221207177 /nfs/dbraw/zinc/20/71/77/221207177.db2.gz PUALDAKOVFFLDJ-UHFFFAOYSA-N -1 0 393.461 3.244 50 0 GGAARM O=C(NCc1ccc(F)cc1)c1csc([N-]S(=O)(=O)c2ccccc2)n1 ZINC000012627983 221216224 /nfs/dbraw/zinc/21/62/24/221216224.db2.gz YIIVVKYFYROABU-UHFFFAOYSA-N -1 0 391.449 3.013 50 0 GGAARM O=C(Nc1nc2ccccc2s1)c1c([O-])nc2sc3ccccc3n2c1=O ZINC000012961427 221250193 /nfs/dbraw/zinc/25/01/93/221250193.db2.gz IQLNXGAGZCMONN-UHFFFAOYSA-N -1 0 394.437 3.477 50 0 GGAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000013320393 221265205 /nfs/dbraw/zinc/26/52/05/221265205.db2.gz HKOBFZHYQZVGBZ-QIRNKGDASA-N -1 0 384.476 3.388 50 0 GGAARM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)c3nonc32)cc1 ZINC000013328899 221264846 /nfs/dbraw/zinc/26/48/46/221264846.db2.gz FSNCGXTYDQJUPS-UHFFFAOYSA-N -1 0 388.449 3.023 50 0 GGAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)no1 ZINC000013642346 221278748 /nfs/dbraw/zinc/27/87/48/221278748.db2.gz IRCZNKIUJSKHAI-UHFFFAOYSA-N -1 0 381.175 3.332 50 0 GGAARM CCOC(=O)c1cc(CC2C(=O)N=C(SC)N=C2[O-])ccc1OCC(C)C ZINC000013562045 221272819 /nfs/dbraw/zinc/27/28/19/221272819.db2.gz OHPDYWJTDNKTBM-UHFFFAOYSA-N -1 0 392.477 3.412 50 0 GGAARM COc1cccc(C=C2SC(=O)NC2=O)c1OCc1ccc(C(=O)[O-])cc1 ZINC000013555306 221273203 /nfs/dbraw/zinc/27/32/03/221273203.db2.gz BSVRMBALTFISSN-DHDCSXOGSA-N -1 0 385.397 3.296 50 0 GGAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccc2ccccc21 ZINC000013797384 221289377 /nfs/dbraw/zinc/28/93/77/221289377.db2.gz JXUYPFWFQKLOLF-LJQANCHMSA-N -1 0 394.452 3.295 50 0 GGAARM O=C([O-])c1cccc(CN2C(=S)N=NC2c2cncc(Br)c2)c1 ZINC000013693239 221282553 /nfs/dbraw/zinc/28/25/53/221282553.db2.gz CUZSSPXYRLWPNA-UHFFFAOYSA-N -1 0 391.250 3.138 50 0 GGAARM COc1ccc(-c2nc(CC(=O)N[C@@H](C(=O)[O-])c3ccccc3)cs2)cc1 ZINC000013730041 221285785 /nfs/dbraw/zinc/28/57/85/221285785.db2.gz SOEGTNMKKPYABA-GOSISDBHSA-N -1 0 382.441 3.303 50 0 GGAARM O=C([O-])Cc1nn(Cc2nc3cc(Cl)ccc3s2)c(=O)c2ccccc12 ZINC000013860744 221291898 /nfs/dbraw/zinc/29/18/98/221291898.db2.gz LNCWRJYGGOAOMU-UHFFFAOYSA-N -1 0 385.832 3.335 50 0 GGAARM O=S(=O)([N-]c1ncn(Cc2cccc(C(F)(F)F)c2)n1)c1ccccc1 ZINC000014250575 221307410 /nfs/dbraw/zinc/30/74/10/221307410.db2.gz KXQPWPGNIOWTCE-UHFFFAOYSA-N -1 0 382.367 3.146 50 0 GGAARM O=C([O-])c1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)c1 ZINC000015008612 221326375 /nfs/dbraw/zinc/32/63/75/221326375.db2.gz ICRWZIGINIWLML-XNTDXEJSSA-N -1 0 382.397 3.060 50 0 GGAARM CCCSc1nnc(-c2cc(Br)ccc2NC(C)=O)c(=O)[n-]1 ZINC000015016722 221326992 /nfs/dbraw/zinc/32/69/92/221326992.db2.gz NBCPHNDPOVUEQW-UHFFFAOYSA-N -1 0 383.271 3.467 50 0 GGAARM COC(=O)c1cc(NS(=O)(=O)c2ccc(C(C)C)cc2)cc(C(=O)OC)c1 ZINC000016129754 221357578 /nfs/dbraw/zinc/35/75/78/221357578.db2.gz PESLVKSDEVNYNL-UHFFFAOYSA-N -1 0 391.445 3.184 50 0 GGAARM CC(C)c1c([O-])nc(SCC(=O)NCc2ccco2)n(-c2ccccc2)c1=O ZINC000016361336 221360078 /nfs/dbraw/zinc/36/00/78/221360078.db2.gz DIQXEWUAHMOJRB-UHFFFAOYSA-N -1 0 399.472 3.063 50 0 GGAARM CCCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](C(=O)[O-])[C@@H](C)CC)ccc12 ZINC000016043242 221356305 /nfs/dbraw/zinc/35/63/05/221356305.db2.gz QWTOCYKCNRKJNE-RNODOKPDSA-N -1 0 389.448 3.130 50 0 GGAARM CCCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC)ccc12 ZINC000016043243 221356530 /nfs/dbraw/zinc/35/65/30/221356530.db2.gz QWTOCYKCNRKJNE-ZUOKHONESA-N -1 0 389.448 3.130 50 0 GGAARM CCCCCNC(=O)CCc1csc([N-]S(=O)(=O)c2ccc(F)cc2)n1 ZINC000016848468 221371947 /nfs/dbraw/zinc/37/19/47/221371947.db2.gz SIBWADVZSLTGBG-UHFFFAOYSA-N -1 0 399.513 3.322 50 0 GGAARM CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1C(=O)NC1CC1 ZINC000017076999 221376129 /nfs/dbraw/zinc/37/61/29/221376129.db2.gz ZNMVIRKAYPUYJA-KGLIPLIRSA-N -1 0 376.478 3.117 50 0 GGAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CC1)CC[C@H](C)C2 ZINC000017077427 221376407 /nfs/dbraw/zinc/37/64/07/221376407.db2.gz QBRSFWUEENTNLE-WDEREUQCSA-N -1 0 378.494 3.205 50 0 GGAARM NC(=O)c1c(NC(=O)CC2(CC(=O)[O-])CCCC2)sc2c1CCCCC2 ZINC000017077417 221376821 /nfs/dbraw/zinc/37/68/21/221376821.db2.gz VCJDVFXAKYKGCW-UHFFFAOYSA-N -1 0 378.494 3.480 50 0 GGAARM CC[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)NC2CC2)C1 ZINC000017077421 221377009 /nfs/dbraw/zinc/37/70/09/221377009.db2.gz IYAAKCDVVPPIKX-LLVKDONJSA-N -1 0 378.494 3.349 50 0 GGAARM COc1cccc(NC(=O)c2c(NC(=O)CCC(=O)[O-])sc3c2CCC3)c1 ZINC000017079291 221377836 /nfs/dbraw/zinc/37/78/36/221377836.db2.gz UHBUUGVXUOFVMW-UHFFFAOYSA-N -1 0 388.445 3.301 50 0 GGAARM CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C)C3)[C@@H](C(=O)[O-])C1 ZINC000017079700 221378512 /nfs/dbraw/zinc/37/85/12/221378512.db2.gz HWYRXKAWTRCOJC-HERUPUMHSA-N -1 0 390.505 3.358 50 0 GGAARM Cc1ccc(S(=O)(=O)[N-]c2ncn(Cc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000017080968 221378603 /nfs/dbraw/zinc/37/86/03/221378603.db2.gz NHDYQMZWPGPGNP-UHFFFAOYSA-N -1 0 396.394 3.454 50 0 GGAARM O=C([O-])CSCC(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2 ZINC000017081105 221378727 /nfs/dbraw/zinc/37/87/27/221378727.db2.gz CATCSIYLTYKECN-UHFFFAOYSA-N -1 0 396.534 3.009 50 0 GGAARM Cc1scc(C(=O)Nn2c(=O)c3c(C)c(C(=O)[O-])sc3[nH]c2=S)c1C ZINC000017080877 221378800 /nfs/dbraw/zinc/37/88/00/221378800.db2.gz AZONYDCRTCDCPG-UHFFFAOYSA-N -1 0 395.487 3.189 50 0 GGAARM NC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCc1ccccc1-2 ZINC000017081018 221378842 /nfs/dbraw/zinc/37/88/42/221378842.db2.gz BNIADBZZTPKISR-KBPBESRZSA-N -1 0 396.468 3.218 50 0 GGAARM Cc1cc(C)nc(-n2[n-]c3[nH]c(-c4cccc5ccccc54)cc(=O)c3c2=O)n1 ZINC000018063683 221386073 /nfs/dbraw/zinc/38/60/73/221386073.db2.gz DLUDHVMRFIATTF-UHFFFAOYSA-N -1 0 383.411 3.234 50 0 GGAARM O=C([O-])c1cccc(NC(=O)c2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2)c1 ZINC000018241329 221391349 /nfs/dbraw/zinc/39/13/49/221391349.db2.gz KMQNNXOMVBWSSP-HDICACEKSA-N -1 0 392.411 3.317 50 0 GGAARM COc1ccc(CC(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)c(OC)c1 ZINC000095363472 533437481 /nfs/dbraw/zinc/43/74/81/533437481.db2.gz MRNODSOMARXEHF-GOSISDBHSA-N -1 0 383.444 3.351 50 0 GGAARM O=C(c1cnc([O-])n(Cc2ccccc2Cl)c1=O)N1CCCc2ccccc21 ZINC000077099314 136171556 /nfs/dbraw/zinc/17/15/56/136171556.db2.gz JHBVIRWWUBTYAO-UHFFFAOYSA-N -1 0 395.846 3.244 50 0 GGAARM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(c1ccc3cc(Cl)ccc3n1)CC2 ZINC000082115454 136173686 /nfs/dbraw/zinc/17/36/86/136173686.db2.gz BJZPJLIVBHRKQO-QGZVFWFLSA-N -1 0 387.867 3.180 50 0 GGAARM Cc1ccc(C(=O)[O-])c(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)n1 ZINC000095509334 136180529 /nfs/dbraw/zinc/18/05/29/136180529.db2.gz BNYCBKXMOBTYAN-MRXNPFEDSA-N -1 0 377.448 3.112 50 0 GGAARM O=C([O-])c1cnc(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)c(Cl)c1 ZINC000095513195 136180786 /nfs/dbraw/zinc/18/07/86/136180786.db2.gz BZHQSJRENLQQTG-HNNXBMFYSA-N -1 0 397.866 3.457 50 0 GGAARM Cc1ccc(C(=O)[O-])c(N2CCC(c3nccn3Cc3cscn3)CC2)n1 ZINC000095524732 136181522 /nfs/dbraw/zinc/18/15/22/136181522.db2.gz OMWILIXDJWEQOS-UHFFFAOYSA-N -1 0 383.477 3.174 50 0 GGAARM CC(C)(C(=O)[O-])c1cnc(NC2CCCCCCC2)nc1N1CCOCC1 ZINC000096164017 136184926 /nfs/dbraw/zinc/18/49/26/136184926.db2.gz XMZHDGFQCJFGNK-UHFFFAOYSA-N -1 0 376.501 3.200 50 0 GGAARM COc1ccc(OC)c(N2C(=O)c3cccc4c(C(=O)[O-])ccc(c43)C2=O)c1 ZINC000002268488 136193469 /nfs/dbraw/zinc/19/34/69/136193469.db2.gz ZRZJLOSTOLIGDF-UHFFFAOYSA-N -1 0 377.352 3.356 50 0 GGAARM COc1cc([N-]S(=O)(=O)c2ccc(C)s2)ccc1N1CCCCC1=O ZINC000005329954 136194762 /nfs/dbraw/zinc/19/47/62/136194762.db2.gz HIMSZELTYJPLJY-UHFFFAOYSA-N -1 0 380.491 3.383 50 0 GGAARM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc21 ZINC000008840539 136195706 /nfs/dbraw/zinc/19/57/06/136195706.db2.gz GYQPIUOVFQRJCR-UHFFFAOYSA-N -1 0 380.416 3.455 50 0 GGAARM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc21 ZINC000013011089 136200848 /nfs/dbraw/zinc/20/08/48/136200848.db2.gz YQVCJPZVCHVVKK-UHFFFAOYSA-N -1 0 380.416 3.455 50 0 GGAARM [O-]c1c([C@@H](c2ccco2)N2CCN(c3ccccc3F)CC2)sc2ncnn12 ZINC000022610113 136204207 /nfs/dbraw/zinc/20/42/07/136204207.db2.gz AVDJLOYGLHGGRF-MRXNPFEDSA-N -1 0 399.451 3.140 50 0 GGAARM [O-]c1c([C@H](c2ccco2)N2CCN(c3ccc(F)cc3)CC2)sc2ncnn12 ZINC000022610117 136204220 /nfs/dbraw/zinc/20/42/20/136204220.db2.gz DNRARCGVHFUZHE-INIZCTEOSA-N -1 0 399.451 3.140 50 0 GGAARM [O-]c1c([C@@H](c2cccs2)N2CCN(c3ccccc3)CC2)sc2ncnn12 ZINC000022610189 136204299 /nfs/dbraw/zinc/20/42/99/136204299.db2.gz CYRXMHKMPVFLBA-MRXNPFEDSA-N -1 0 397.529 3.470 50 0 GGAARM CC[C@H](C)[C@@H](NC(=O)CCn1ccc2ccc(Br)cc21)C(=O)[O-] ZINC000036576297 221859506 /nfs/dbraw/zinc/85/95/06/221859506.db2.gz YNWGLOXWWQORGX-MEDUHNTESA-N -1 0 381.270 3.409 50 0 GGAARM COc1cccc(-c2nc(CC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])cs2)c1 ZINC000036585061 221860030 /nfs/dbraw/zinc/86/00/30/221860030.db2.gz WMBGMLHXYPCJIL-GOSISDBHSA-N -1 0 396.468 3.173 50 0 GGAARM Cc1c(C(=O)N(C)C)sc2[nH]c(=O)c(C(=O)Nc3cc(C)cc(C)c3)c([O-])c12 ZINC000049008077 221993693 /nfs/dbraw/zinc/99/36/93/221993693.db2.gz HXGCWMVLRFRWNS-UHFFFAOYSA-N -1 0 399.472 3.175 50 0 GGAARM O=C(Nc1cccc(Cl)c1)c1c(=O)[nH]c2c(cnn2Cc2ccccc2)c1[O-] ZINC000049411807 221999116 /nfs/dbraw/zinc/99/91/16/221999116.db2.gz DYKROLISVZXHCF-UHFFFAOYSA-N -1 0 394.818 3.384 50 0 GGAARM COc1ccc(Cl)cc1NC(=O)CSc1nc(=O)c2sccc2[n-]1 ZINC000051317237 222004327 /nfs/dbraw/zinc/00/43/27/222004327.db2.gz JMDLAPZDYCOJNY-UHFFFAOYSA-N -1 0 381.866 3.377 50 0 GGAARM COc1ccc(Cn2c(C)c3c(cc2=O)[n-]n(-c2ccc(Cl)cc2)c3=O)cc1 ZINC000051553273 222006839 /nfs/dbraw/zinc/00/68/39/222006839.db2.gz AWLPQTDMCORQMO-UHFFFAOYSA-N -1 0 395.846 3.499 50 0 GGAARM CCOc1ccc2cc(C(=O)Nc3cc(S(=O)(=O)CC)ccc3[O-])[nH]c2c1 ZINC000057990935 222037188 /nfs/dbraw/zinc/03/71/88/222037188.db2.gz GHTXKWZSQMYGJW-UHFFFAOYSA-N -1 0 388.445 3.318 50 0 GGAARM O=C([O-])c1ccc2c(c1)S[C@@H](CC(=O)Nc1ccc(F)c(F)c1)C(=O)N2 ZINC000061718849 222061184 /nfs/dbraw/zinc/06/11/84/222061184.db2.gz KKNZILRXNSJOPX-AWEZNQCLSA-N -1 0 378.356 3.105 50 0 GGAARM Cc1c(Cl)cccc1NC(=O)CSc1nc2[nH]c(=O)cc([O-])c2s1 ZINC000065361957 222124138 /nfs/dbraw/zinc/12/41/38/222124138.db2.gz KBDIUDZZNRFCQH-UHFFFAOYSA-N -1 0 381.866 3.383 50 0 GGAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCCCC1 ZINC000065365238 222124473 /nfs/dbraw/zinc/12/44/73/222124473.db2.gz NRZCAIHFACLZNU-UHFFFAOYSA-N -1 0 392.452 3.261 50 0 GGAARM O=C([O-])CSc1nnc([C@H](O)c2ccccc2)n1-c1cccc(Cl)c1 ZINC000065453277 222129810 /nfs/dbraw/zinc/12/98/10/222129810.db2.gz WQESXYMRKFVQBE-OAHLLOKOSA-N -1 0 375.837 3.179 50 0 GGAARM CCc1ccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000067245487 222142749 /nfs/dbraw/zinc/14/27/49/222142749.db2.gz ZFTZVSUHMFWAJG-UHFFFAOYSA-N -1 0 384.461 3.334 50 0 GGAARM Cc1ccc(F)c2cc(C)c(N3CCC[C@@H](Cn4cc(C(=O)[O-])nn4)C3)nc12 ZINC000067446536 222147289 /nfs/dbraw/zinc/14/72/89/222147289.db2.gz QFYPWLUNMYEBTN-CQSZACIVSA-N -1 0 383.427 3.197 50 0 GGAARM Cc1n[nH]c(C)c1Cc1nnc(SCC(=O)[O-])n1-c1ccccc1Cl ZINC000067649397 222151852 /nfs/dbraw/zinc/15/18/52/222151852.db2.gz YVZZWMKQOUWCFX-UHFFFAOYSA-N -1 0 377.857 3.028 50 0 GGAARM Cc1ccc2nc(C)cc(C(=O)N3CCC(c4cc(CC(=O)[O-])n[nH]4)CC3)c2c1 ZINC000067725940 222157432 /nfs/dbraw/zinc/15/74/32/222157432.db2.gz ZHPVKLGWAPONHE-UHFFFAOYSA-N -1 0 392.459 3.222 50 0 GGAARM Cc1ccc(F)c(C(=O)N2CCc3c(c(C(=O)[O-])nn3CC(C)C)C2)c1F ZINC000067727095 222157535 /nfs/dbraw/zinc/15/75/35/222157535.db2.gz VYGHPRXTBPSLIT-UHFFFAOYSA-N -1 0 377.391 3.022 50 0 GGAARM Cc1n[nH]c(C)c1Cc1nnc(SCC(=O)[O-])n1-c1cccc(Cl)c1 ZINC000067726274 222157819 /nfs/dbraw/zinc/15/78/19/222157819.db2.gz JRNIXQWQLQOAFV-UHFFFAOYSA-N -1 0 377.857 3.028 50 0 GGAARM CCn1nc(C(=O)[O-])c2c1CCN(C(=O)c1[nH]c3c(cc(C)cc3C)c1C)C2 ZINC000067789783 222158981 /nfs/dbraw/zinc/15/89/81/222158981.db2.gz VHJPQPYBHLFSAO-UHFFFAOYSA-N -1 0 380.448 3.206 50 0 GGAARM Cc1c(C(=O)[O-])sc2ncnc(NCc3nncn3CCc3ccccc3)c12 ZINC000067840834 222160812 /nfs/dbraw/zinc/16/08/12/222160812.db2.gz HLGNIQULSYYKGY-UHFFFAOYSA-N -1 0 394.460 3.144 50 0 GGAARM Cc1ccc(-c2cc(O)c3c(c2)CN(Cc2c[nH]nc2C(=O)[O-])CCO3)s1 ZINC000067973966 222168718 /nfs/dbraw/zinc/16/87/18/222168718.db2.gz ALCVMHFXJQRGLL-UHFFFAOYSA-N -1 0 385.445 3.245 50 0 GGAARM O=c1cc(-c2nc([C@@]3(c4ccc(F)cc4)CCOC3)no2)[n-]c2ccccc12 ZINC000067974441 222169026 /nfs/dbraw/zinc/16/90/26/222169026.db2.gz VRSNOKXGHIAJMT-NRFANRHFSA-N -1 0 377.375 3.424 50 0 GGAARM CNC(=O)c1c2c(sc1NC(=O)c1cc(=O)c3ccccc3[n-]1)CCCC2 ZINC000067956356 222170008 /nfs/dbraw/zinc/17/00/08/222170008.db2.gz GJMLNJXAXPLBSU-UHFFFAOYSA-N -1 0 381.457 3.080 50 0 GGAARM COc1ccc(OC)c([N-]S(=O)(=O)Cc2ccc(Br)cc2)c1 ZINC000068740965 222173740 /nfs/dbraw/zinc/17/37/40/222173740.db2.gz QLVUYPYGUXWKKN-UHFFFAOYSA-N -1 0 386.267 3.408 50 0 GGAARM COc1cc(NC(=O)Cc2ccccc2C(=O)[O-])ccc1NC(=O)c1ccco1 ZINC000071288614 222181071 /nfs/dbraw/zinc/18/10/71/222181071.db2.gz ZYGPVRUDZRQEQI-UHFFFAOYSA-N -1 0 394.383 3.420 50 0 GGAARM COc1ccc(-c2nn(C)c3ncnc(Nc4cccc(C(=O)[O-])c4)c23)cc1 ZINC000071405476 222183907 /nfs/dbraw/zinc/18/39/07/222183907.db2.gz XDEAMTNZBHZGRV-UHFFFAOYSA-N -1 0 375.388 3.481 50 0 GGAARM CO[C@H](C)c1ccc(-c2cc(C(=O)[O-])cc(S(=O)(=O)NC(C)C)c2)cc1 ZINC000071759953 222193473 /nfs/dbraw/zinc/19/34/73/222193473.db2.gz KBDUKRLOOXYCSB-CYBMUJFWSA-N -1 0 377.462 3.446 50 0 GGAARM O=C([O-])[C@@]1(CCc2ccccc2)CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000071775800 222196968 /nfs/dbraw/zinc/19/69/68/222196968.db2.gz XUMXDWLLIJTSJL-JOCHJYFZSA-N -1 0 381.428 3.355 50 0 GGAARM Nc1ncc(C(=O)N2CC[C@@H](c3ccccc3C(=O)[O-])C2)c(-c2ccccc2)n1 ZINC000072158997 222211912 /nfs/dbraw/zinc/21/19/12/222211912.db2.gz GJEWVVJHWNPNAP-OAHLLOKOSA-N -1 0 388.427 3.054 50 0 GGAARM CCOC(=O)C[C@H](c1ccc(O)c(OC)c1)c1c([O-])c2ccccc2[nH]c1=O ZINC000072326048 222227100 /nfs/dbraw/zinc/22/71/00/222227100.db2.gz NYQQTNQIWXJUJH-CQSZACIVSA-N -1 0 383.400 3.033 50 0 biogenic GGAARM Cc1cc(NC(=O)c2nccnc2C(=O)[O-])c2cccc(C(F)(F)F)c2n1 ZINC000072401072 222254102 /nfs/dbraw/zinc/25/41/02/222254102.db2.gz FAFNHXMYCVOYNT-UHFFFAOYSA-N -1 0 376.294 3.303 50 0 GGAARM CCCc1sc(=NC(=O)c2cc(-c3cccs3)nn2C)[n-]c1C(=O)OC ZINC000072406438 222254648 /nfs/dbraw/zinc/25/46/48/222254648.db2.gz GFFNUHQZYBRTET-UHFFFAOYSA-N -1 0 390.490 3.018 50 0 GGAARM O=C([O-])c1ccc(C[C@@H]2CCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)cc1 ZINC000072430561 222258944 /nfs/dbraw/zinc/25/89/44/222258944.db2.gz YLCYCJURVDUIGJ-AWEZNQCLSA-N -1 0 383.835 3.391 50 0 GGAARM O=C([O-])c1ccc(C[C@H]2CCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)cc1 ZINC000072430562 222259335 /nfs/dbraw/zinc/25/93/35/222259335.db2.gz YLCYCJURVDUIGJ-CQSZACIVSA-N -1 0 383.835 3.391 50 0 GGAARM O=C([O-])c1ccc(C[C@@H]2CCN(C(=O)c3cccc(Cn4cccn4)c3)C2)cc1 ZINC000072453821 222263785 /nfs/dbraw/zinc/26/37/85/222263785.db2.gz VMDQOGBDKGNFSK-IBGZPJMESA-N -1 0 389.455 3.334 50 0 GGAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2cccc(F)c2n1 ZINC000095516859 222345099 /nfs/dbraw/zinc/34/50/99/222345099.db2.gz BNBPNQDFIJASOU-SFHVURJKSA-N -1 0 377.375 3.281 50 0 GGAARM COc1cccc2c1OC[C@]1(C(=O)[O-])CN(C(=O)c3ccc(Cl)cc3)C[C@H]21 ZINC000095505540 222338277 /nfs/dbraw/zinc/33/82/77/222338277.db2.gz DHULZNWFAIAKQQ-FOIQADDNSA-N -1 0 387.819 3.052 50 0 GGAARM COc1cccc2c1OC[C@]1(C(=O)[O-])CN(C(=O)c3cc(C)ccc3C)C[C@H]21 ZINC000095511749 222343062 /nfs/dbraw/zinc/34/30/62/222343062.db2.gz JWSWLYCEZRGUDC-VGOFRKELSA-N -1 0 381.428 3.015 50 0 GGAARM O=S(=O)([N-]CCN1CCC(c2cccs2)CC1)c1c(F)cccc1F ZINC000077104157 222274402 /nfs/dbraw/zinc/27/44/02/222274402.db2.gz YDSODRIJNBMPTJ-UHFFFAOYSA-N -1 0 386.489 3.184 50 0 GGAARM CCOc1ccc(-c2ccnc(NCc3cn4c(n3)SCC4)n2)cc1C(=O)[O-] ZINC000077488888 222283868 /nfs/dbraw/zinc/28/38/68/222283868.db2.gz OONMZTKXRMLFQO-UHFFFAOYSA-N -1 0 397.460 3.155 50 0 GGAARM Cc1cccc([C@H]2CCCN(C(=O)c3ccc(N4CC(=O)N=C4[O-])cc3)C2)c1 ZINC000077565197 222285120 /nfs/dbraw/zinc/28/51/20/222285120.db2.gz ULJSEHVJCLXVFH-SFHVURJKSA-N -1 0 377.444 3.071 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)CCn2ccc3c2cccc3Cl)sc1C ZINC000079479207 222304511 /nfs/dbraw/zinc/30/45/11/222304511.db2.gz DEAKIUUDIQZTOG-UHFFFAOYSA-N -1 0 377.853 3.297 50 0 GGAARM COC(=O)C[C@H](c1ccc(-c2ccc(C(=O)[O-])cc2)o1)c1c(O)cc(C)[nH]c1=O ZINC000079189385 222304568 /nfs/dbraw/zinc/30/45/68/222304568.db2.gz LUULUSZGAPNFFC-CQSZACIVSA-N -1 0 397.383 3.042 50 0 biogenic GGAARM COc1c(=O)c2c(O)cc([O-])cc2oc1-c1ccc(O)c(CC[C@@H](C)CO)c1 ZINC000084711477 222320535 /nfs/dbraw/zinc/32/05/35/222320535.db2.gz LMOYOATYLHNKNP-LLVKDONJSA-N -1 0 386.400 3.146 50 0 biogenic GGAARM COc1cc(OC)cc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cccs3)C2)c1 ZINC000095532111 222354972 /nfs/dbraw/zinc/35/49/72/222354972.db2.gz HHBYOHHMIXEPCN-MRXNPFEDSA-N -1 0 388.445 3.308 50 0 GGAARM Cc1ccc(-c2ccc(CCC(=O)N3CCc4[nH]cnc4[C@@H]3C(=O)[O-])o2)cc1 ZINC000096142343 222387669 /nfs/dbraw/zinc/38/76/69/222387669.db2.gz XFHMIVDSQVTAOZ-HXUWFJFHSA-N -1 0 379.416 3.121 50 0 GGAARM Cc1ccc(-c2ccc(CCC(=O)N3CCc4[nH]cnc4[C@H]3C(=O)[O-])o2)cc1 ZINC000096142344 222388665 /nfs/dbraw/zinc/38/86/65/222388665.db2.gz XFHMIVDSQVTAOZ-FQEVSTJZSA-N -1 0 379.416 3.121 50 0 GGAARM Cc1ncsc1CCc1nc(Cc2cccc(Cl)c2)nn1CC(=O)[O-] ZINC000097394173 222443848 /nfs/dbraw/zinc/44/38/48/222443848.db2.gz VGSJBCDEMUXXGI-UHFFFAOYSA-N -1 0 376.869 3.157 50 0 GGAARM COc1ccccc1-c1c(C)[n-]n2c1nc(CSc1nccc(C)n1)cc2=O ZINC000100137778 222457761 /nfs/dbraw/zinc/45/77/61/222457761.db2.gz JCOWXANNMMXTTM-UHFFFAOYSA-N -1 0 393.472 3.397 50 0 GGAARM COc1ccccc1NC(=O)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O ZINC000100761119 222462786 /nfs/dbraw/zinc/46/27/86/222462786.db2.gz NRBFECMCSGEVFI-UHFFFAOYSA-N -1 0 387.395 3.352 50 0 GGAARM O=c1c2[n-][nH]n(Cc3cccc(C(F)(F)F)c3)c=2c(=O)n1-c1ccc(F)cc1 ZINC000101167252 222469532 /nfs/dbraw/zinc/46/95/32/222469532.db2.gz UJWQBMHPPCCLGU-CABCVRRESA-N -1 0 392.312 3.338 50 0 GGAARM COc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cc(C)ccc4C)c=3c2=O)cc1Cl ZINC000101417892 222471885 /nfs/dbraw/zinc/47/18/85/222471885.db2.gz HKJXTJIJQMMCNG-ROUUACIJSA-N -1 0 398.850 3.459 50 0 GGAARM COc1cccc([C@@H]2CN(C(=O)c3cc4ccccc4cn3)C[C@H]2C(=O)[O-])c1 ZINC000091657271 533732417 /nfs/dbraw/zinc/73/24/17/533732417.db2.gz PCZCLNUWTPKTOZ-RBUKOAKNSA-N -1 0 376.412 3.184 50 0 GGAARM CCOc1ccc(-n2c(=O)c([C@@H]3OC(=O)c4ccccc43)c([O-])[nH]c2=S)cc1 ZINC000101086730 528358911 /nfs/dbraw/zinc/35/89/11/528358911.db2.gz SUBIQVJNJOMVCI-MRXNPFEDSA-N -1 0 396.424 3.259 50 0 GGAARM CCCc1cc(C(=O)N2C[C@@H]3C[C@@H](c4ccccc4)CC[C@]3(C(=O)[O-])C2)[nH]n1 ZINC000426683798 528580760 /nfs/dbraw/zinc/58/07/60/528580760.db2.gz KKLVRFNZNDEJNJ-HOIFWPIMSA-N -1 0 381.476 3.473 50 0 GGAARM CCOc1ccccc1N1CCN(C(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])CC1 ZINC000006714325 528736666 /nfs/dbraw/zinc/73/66/66/528736666.db2.gz ZRQXDLYCJMEUDM-MSOLQXFVSA-N -1 0 386.492 3.181 50 0 GGAARM CC1(C)CN(C(=O)c2ccc(N3CC(=O)N=C3[O-])cc2)C[C@H]1c1ccccc1 ZINC000426362107 529105046 /nfs/dbraw/zinc/10/50/46/529105046.db2.gz XIDNROUGJZVNRV-SFHVURJKSA-N -1 0 377.444 3.009 50 0 GGAARM CCC(NCc1ccc(F)cc1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000101090199 535226795 /nfs/dbraw/zinc/22/67/95/535226795.db2.gz SFEGRXCYAZYJQE-FBMGVBCBSA-N -1 0 381.407 3.171 50 0 GGAARM CCCc1cnc(C)nc1N1CCC(Oc2ccccc2OC)(C(=O)[O-])CC1 ZINC000082096608 535436056 /nfs/dbraw/zinc/43/60/56/535436056.db2.gz IQECCDJKQUKLHH-UHFFFAOYSA-N -1 0 385.464 3.249 50 0 GGAARM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1ccc(Br)s1 ZINC000001119625 564183735 /nfs/dbraw/zinc/18/37/35/564183735.db2.gz YHLDYPWYBULXKO-UHFFFAOYSA-N -1 0 376.253 3.083 50 0 GGAARM O=C([O-])CCC(=O)Nc1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1 ZINC000001129555 564183782 /nfs/dbraw/zinc/18/37/82/564183782.db2.gz NSLQTAMBWFKDMY-UHFFFAOYSA-N -1 0 378.793 3.373 50 0 GGAARM O=C([O-])C[C@]12CSc3[nH]c(=O)sc3[C@@H]1c1cc(Cl)ccc1OC2=O ZINC000002493324 564187312 /nfs/dbraw/zinc/18/73/12/564187312.db2.gz CMSUIVMSFVOWNX-BONVTDFDSA-N -1 0 383.834 3.120 50 0 GGAARM O=C([N-]c1c(F)c(F)cc(F)c1F)c1cc2ncc(Br)cn2n1 ZINC000002790864 564190369 /nfs/dbraw/zinc/19/03/69/564190369.db2.gz HZLIANBJZQEAQU-UHFFFAOYSA-N -1 0 389.106 3.301 50 0 GGAARM O=S(=O)([N-]c1ncn(Cc2cccc(Cl)c2)n1)c1ccc(Cl)cc1 ZINC000002777919 564190772 /nfs/dbraw/zinc/19/07/72/564190772.db2.gz HERLZBGCWCGLIT-UHFFFAOYSA-N -1 0 383.260 3.434 50 0 GGAARM O=C([O-])c1ccccc1NC(=S)NC(=O)c1ccc(Br)cc1 ZINC000002998221 564192089 /nfs/dbraw/zinc/19/20/89/564192089.db2.gz PMLQKLQYCXVCED-UHFFFAOYSA-N -1 0 379.235 3.274 50 0 GGAARM [O-]c1c(I)cc(I)c2cccnc12 ZINC000003830942 564200324 /nfs/dbraw/zinc/20/03/24/564200324.db2.gz UXZFQZANDVDGMM-UHFFFAOYSA-N -1 0 396.953 3.150 50 0 aggregator,world GGAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Br)cc1 ZINC000004171961 564201004 /nfs/dbraw/zinc/20/10/04/564201004.db2.gz LLFZCUPOLDUVSM-MRXNPFEDSA-N -1 0 387.233 3.356 50 0 biogenic GGAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Br)cc1 ZINC000004171960 564201513 /nfs/dbraw/zinc/20/15/13/564201513.db2.gz LLFZCUPOLDUVSM-INIZCTEOSA-N -1 0 387.233 3.356 50 0 biogenic GGAARM CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])c2ccc(Br)cc2)CC1 ZINC000004241767 564201520 /nfs/dbraw/zinc/20/15/20/564201520.db2.gz DTTRKFMUGVQBHY-AWEZNQCLSA-N -1 0 399.285 3.128 50 0 GGAARM Cc1cc(C)cc(NC(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)c1 ZINC000004306488 564202138 /nfs/dbraw/zinc/20/21/38/564202138.db2.gz OQWOHDBUCYDRMP-UHFFFAOYSA-N -1 0 375.475 3.146 50 0 GGAARM O=c1c2[n-][nH]n(Cc3ccccc3Cl)c=2c(=O)n1-c1ccc(Cl)cc1 ZINC000004483662 564203481 /nfs/dbraw/zinc/20/34/81/564203481.db2.gz ZBCKAZLUKVNXJG-HUUCEWRRSA-N -1 0 375.215 3.487 50 0 GGAARM CCOc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OC(=O)c1cccs1 ZINC000004556457 564204212 /nfs/dbraw/zinc/20/42/12/564204212.db2.gz JIHHGXRPBUHILB-XHDPSFHLSA-N -1 0 379.459 3.154 50 0 GGAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(Br)c2)cc1 ZINC000004580709 564204289 /nfs/dbraw/zinc/20/42/89/564204289.db2.gz GOKBMEATXAZWRF-HNNXBMFYSA-N -1 0 378.222 3.404 50 0 GGAARM O=C([O-])COc1ccc(NC(=O)c2ccc(I)cc2)cc1 ZINC000004698912 564205009 /nfs/dbraw/zinc/20/50/09/564205009.db2.gz NMAPFFZQVVCVEY-UHFFFAOYSA-N -1 0 397.168 3.007 50 0 GGAARM COc1cc(NC(=O)c2ccccc2Br)c(C(=O)[O-])cc1OC ZINC000004600601 564205171 /nfs/dbraw/zinc/20/51/71/564205171.db2.gz KUKKMKSUWNUXOO-UHFFFAOYSA-N -1 0 380.194 3.417 50 0 GGAARM CCOC(=O)CN1C(=O)S/C(=C/c2cc(Cl)c([O-])c(Cl)c2)C1=O ZINC000004819190 564207080 /nfs/dbraw/zinc/20/70/80/564207080.db2.gz CQTRTEGNXTVKEE-BJMVGYQFSA-N -1 0 376.217 3.298 50 0 GGAARM COc1cc(NC(=O)Cc2ccc(Br)cc2)c(C(=O)[O-])cc1OC ZINC000004828380 564207382 /nfs/dbraw/zinc/20/73/82/564207382.db2.gz MLNLXVBXAMARBR-UHFFFAOYSA-N -1 0 394.221 3.346 50 0 GGAARM COc1cc(OC)cc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])c1 ZINC000004819535 564207592 /nfs/dbraw/zinc/20/75/92/564207592.db2.gz HSZCGVQJHDHKRG-UHFFFAOYSA-N -1 0 380.194 3.417 50 0 GGAARM COc1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)ccc1Br ZINC000004970450 564210334 /nfs/dbraw/zinc/21/03/34/564210334.db2.gz LUTCGDDNPMRFLQ-UHFFFAOYSA-N -1 0 377.647 3.307 50 0 GGAARM Cc1ccc(NC(=O)CSC2=Nc3ccccc3S(=O)(=O)[N-]2)c(C)c1 ZINC000006918569 564230191 /nfs/dbraw/zinc/23/01/91/564230191.db2.gz VUQXQZSJMGQMCV-UHFFFAOYSA-N -1 0 375.475 3.146 50 0 GGAARM Cc1noc(C)c1C(=O)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1Cl ZINC000006921155 564230262 /nfs/dbraw/zinc/23/02/62/564230262.db2.gz UGARVSIPAABGET-UHFFFAOYSA-N -1 0 383.640 3.370 50 0 GGAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1 ZINC000010272576 564256417 /nfs/dbraw/zinc/25/64/17/564256417.db2.gz VQPGMYGTBYEVKY-UHFFFAOYSA-N -1 0 381.353 3.234 50 0 GGAARM CSc1nsc(SCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC000020275353 564305464 /nfs/dbraw/zinc/30/54/64/564305464.db2.gz VUARBOMQJCUMNO-UHFFFAOYSA-N -1 0 375.884 3.342 50 0 GGAARM O=C([O-])[C@@H]1CCCN(C(=O)CCn2ccc3ccc(Br)cc32)C1 ZINC000020744669 564308107 /nfs/dbraw/zinc/30/81/07/564308107.db2.gz YGSBIQNLZKMHQX-CYBMUJFWSA-N -1 0 379.254 3.117 50 0 GGAARM O=C([O-])CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2s1 ZINC000022135461 564314096 /nfs/dbraw/zinc/31/40/96/564314096.db2.gz VZTDFPITEHSIGM-QWRGUYRKSA-N -1 0 376.459 3.153 50 0 GGAARM Cc1nc2sc([C@H](c3ccc(Cl)cc3)N3CCC(O)CC3)c([O-])n2n1 ZINC000023156927 564322135 /nfs/dbraw/zinc/32/21/35/564322135.db2.gz FTPCCYUZSSKODF-AWEZNQCLSA-N -1 0 378.885 3.004 50 0 GGAARM [O-]c1c(I)cc(Cl)cc1I ZINC000028278356 564361643 /nfs/dbraw/zinc/36/16/43/564361643.db2.gz UCFDGPBRXPCSBW-UHFFFAOYSA-N -1 0 380.350 3.255 50 0 GGAARM CSc1nnc([N-]C(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)o2)s1 ZINC000032593550 564403777 /nfs/dbraw/zinc/40/37/77/564403777.db2.gz BCRQTPFNATWTMG-UHFFFAOYSA-N -1 0 395.487 3.247 50 0 GGAARM O=C([O-])[C@@H](Cc1ccc(Br)cc1)NC(=O)OCc1ccccc1 ZINC000039957003 564425391 /nfs/dbraw/zinc/42/53/91/564425391.db2.gz PEPFGOGDPWWISR-OAHLLOKOSA-N -1 0 378.222 3.371 50 0 GGAARM CC(C)C[C@H](NC(=O)CCn1ccc2c1cccc2Br)C(=O)[O-] ZINC000040312526 564427405 /nfs/dbraw/zinc/42/74/05/564427405.db2.gz VWIBIQIMAOQNQH-AWEZNQCLSA-N -1 0 381.270 3.409 50 0 biogenic GGAARM CCCSc1ncc(Cl)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])n1 ZINC000046086347 564494689 /nfs/dbraw/zinc/49/46/89/564494689.db2.gz FAYZGQPQDOAWDK-ZDUSSCGKSA-N -1 0 379.869 3.058 50 0 GGAARM CCSc1nc(CC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cs1 ZINC000091416928 564871851 /nfs/dbraw/zinc/87/18/51/564871851.db2.gz IDBDPPDGOOLQAK-LSDHHAIUSA-N -1 0 376.503 3.124 50 0 GGAARM CSc1ccc([C@@H](C(=O)[O-])N2CCN(Cc3csc(C)n3)CC2)cc1 ZINC000095388717 564899332 /nfs/dbraw/zinc/89/93/32/564899332.db2.gz VGPUOIVPOOWNQI-KRWDZBQOSA-N -1 0 377.535 3.117 50 0 GGAARM O=c1c2[n-][nH]n(Cc3cccc(Cl)c3)c=2c(=O)n1-c1ccc(Cl)cc1 ZINC000101167767 564915566 /nfs/dbraw/zinc/91/55/66/564915566.db2.gz OTEGVCUJSYNQQJ-GJZGRUSLSA-N -1 0 375.215 3.487 50 0 GGAARM [O-]C(c1cccs1)=C1[C@@H](c2cccs2)NC(=S)N[C@]1(O)C(F)(F)F ZINC000102140594 564925626 /nfs/dbraw/zinc/92/56/26/564925626.db2.gz XMMPUZPGAPNETH-OPQQBVKSSA-N -1 0 392.449 3.078 50 0 GGAARM O=S(=O)([N-]Cc1ccc([C@H](O)c2ccco2)s1)c1c(F)cccc1F ZINC000206685649 565894762 /nfs/dbraw/zinc/89/47/62/565894762.db2.gz MYGRFFAXTWVSPZ-OAHLLOKOSA-N -1 0 385.413 3.180 50 0 GGAARM Cc1nc2sc([C@@H](c3ccc(F)c(Cl)c3)N3CCOCC3)c([O-])n2n1 ZINC000218533283 565899561 /nfs/dbraw/zinc/89/95/61/565899561.db2.gz MSOLPEWZUGDRRS-CYBMUJFWSA-N -1 0 382.848 3.019 50 0 GGAARM Cn1ccc2cc([C@@H](O)CNS(=O)(=O)c3cc(Cl)ccc3Cl)ccc21 ZINC000245093487 565987751 /nfs/dbraw/zinc/98/77/51/565987751.db2.gz RPXMDZTVZITBBF-INIZCTEOSA-N -1 0 399.299 3.497 50 0 GGAARM N=C([N-]S(=O)(=O)c1c(F)cccc1F)c1ncc(C(F)(F)F)cc1Cl ZINC000261495020 566123449 /nfs/dbraw/zinc/12/34/49/566123449.db2.gz NDIZUKLOTNAQQX-UHFFFAOYSA-N -1 0 399.728 3.336 50 0 GGAARM Cc1oc(C)c(S(=O)(=O)N[C@H]2CCc3sc(Cl)cc32)c1C(=O)[O-] ZINC000514638388 566658287 /nfs/dbraw/zinc/65/82/87/566658287.db2.gz ACLDDORHQUTNAY-VIFPVBQESA-N -1 0 375.855 3.275 50 0 GGAARM O=C([O-])[C@H](NC(=O)c1cnc(C2CC2)s1)c1ccc(Br)cc1 ZINC000531998252 567691133 /nfs/dbraw/zinc/69/11/33/567691133.db2.gz KACHPEXMVOEQFF-GFCCVEGCSA-N -1 0 381.251 3.339 50 0 GGAARM CCOc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCCC2)cc1OC ZINC000022625989 570222536 /nfs/dbraw/zinc/22/25/36/570222536.db2.gz DMSCXNVKGYKCBC-INIZCTEOSA-N -1 0 388.493 3.397 50 0 GGAARM O=C([O-])c1cccnc1S[C@@H]1CC(=O)N(c2cccc3ccccc32)C1=O ZINC000019878586 570227114 /nfs/dbraw/zinc/22/71/14/570227114.db2.gz WUOCCCDJNUTMDI-MRXNPFEDSA-N -1 0 378.409 3.357 50 0 GGAARM Cc1nc2sc([C@H](c3ccc(F)c(F)c3)N3C[C@@H](C)O[C@H](C)C3)c([O-])n2n1 ZINC000022626788 570227495 /nfs/dbraw/zinc/22/74/95/570227495.db2.gz KBGHXNMBHPWURM-FCHSOHFDSA-N -1 0 394.447 3.282 50 0 GGAARM CCN1c2ccc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3)c3cccc(c23)C1=O ZINC000019923832 570229627 /nfs/dbraw/zinc/22/96/27/570229627.db2.gz BUBIUFFUCXSTAQ-UHFFFAOYSA-N -1 0 396.424 3.319 50 0 GGAARM Cc1ccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1 ZINC000035092949 570232878 /nfs/dbraw/zinc/23/28/78/570232878.db2.gz DRDQTRIMAZCCRT-WWGRRREGSA-N -1 0 384.379 3.160 50 0 GGAARM C[C@H](c1ccncc1)N(C)Cc1cc(-c2ncccn2)ccc1OCC(=O)[O-] ZINC000097463554 570244323 /nfs/dbraw/zinc/24/43/23/570244323.db2.gz YHOHXMQPJPFPAM-OAHLLOKOSA-N -1 0 378.432 3.195 50 0 GGAARM Cc1sc(N)nc1-c1ccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000020330014 570252327 /nfs/dbraw/zinc/25/23/27/570252327.db2.gz ZVQSOHVSGLNJDO-UHFFFAOYSA-N -1 0 383.429 3.416 50 0 GGAARM Cc1[nH]nc(S(=O)(=O)[N-]c2ccc(C)cc2)c1C(=O)Nc1ccc(F)cc1 ZINC000049003341 570261665 /nfs/dbraw/zinc/26/16/65/570261665.db2.gz RBHGWJRJHVYCCC-UHFFFAOYSA-N -1 0 388.424 3.219 50 0 GGAARM O=C([O-])[C@@H]1Cc2[nH]cnc2[C@H](c2ccc(F)cc2)N1C(=S)Nc1ccccc1 ZINC000022628264 570264700 /nfs/dbraw/zinc/26/47/00/570264700.db2.gz DYVXCFIFPGCDFU-WMZOPIPTSA-N -1 0 396.447 3.347 50 0 GGAARM COc1ccc(COc2ccc(-c3noc(CC(C)(C)C(=O)[O-])n3)nc2)cc1 ZINC000098213232 570264957 /nfs/dbraw/zinc/26/49/57/570264957.db2.gz PYMDCXHICAKNDG-UHFFFAOYSA-N -1 0 383.404 3.373 50 0 GGAARM COc1ccc(OC)c(-n2cc(C(=O)[O-])c3c2[C@@H](c2cccnc2)CC(=O)N3)c1 ZINC000049543441 570268385 /nfs/dbraw/zinc/26/83/85/570268385.db2.gz HGKPGKDUZAIKGV-CQSZACIVSA-N -1 0 393.399 3.062 50 0 biogenic GGAARM CCCCOC(=O)c1ccc(NC(=O)c2c([O-])c3ccccc3n(C)c2=O)cc1 ZINC000100551184 570273061 /nfs/dbraw/zinc/27/30/61/570273061.db2.gz JVBYBZNJAQQHFR-UHFFFAOYSA-N -1 0 394.427 3.453 50 0 GGAARM CCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)N[C@H](CCC)C(=O)[O-])ccc12 ZINC000002098359 570274550 /nfs/dbraw/zinc/27/45/50/570274550.db2.gz FCDWTWTWEDBVBX-CZUORRHYSA-N -1 0 389.448 3.191 50 0 biogenic GGAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C(=O)NC)c1=O ZINC000100680135 570274598 /nfs/dbraw/zinc/27/45/98/570274598.db2.gz SYDNHPORZNLCGY-UHFFFAOYSA-N -1 0 393.443 3.119 50 0 GGAARM CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc12 ZINC000002108338 570274856 /nfs/dbraw/zinc/27/48/56/570274856.db2.gz KZSXEVWCVFPLEU-DYVFJYSZSA-N -1 0 389.448 3.128 50 0 biogenic GGAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1ccc2ccc(F)cc21 ZINC000020721608 570276422 /nfs/dbraw/zinc/27/64/22/570276422.db2.gz NJOYIFWCNFBYQS-SFHVURJKSA-N -1 0 379.391 3.074 50 0 GGAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(Cc2ccccn2)CC1 ZINC000020725783 570276610 /nfs/dbraw/zinc/27/66/10/570276610.db2.gz KKBVYFNKWRAGDG-LJQANCHMSA-N -1 0 384.867 3.160 50 0 GGAARM COCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3cccs3)cc21 ZINC000002184848 570277827 /nfs/dbraw/zinc/27/78/27/570277827.db2.gz OUTFDANNMSSINM-UHFFFAOYSA-N -1 0 395.458 3.407 50 0 GGAARM O=C([O-])/C=C\C(=O)Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1 ZINC000002184652 570277833 /nfs/dbraw/zinc/27/78/33/570277833.db2.gz FDFKXPFBYFJRLI-KTKRTIGZSA-N -1 0 385.851 3.246 50 0 GGAARM Cc1noc(C)c1CN1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(C)cc32)CC1 ZINC000020745642 570279290 /nfs/dbraw/zinc/27/92/90/570279290.db2.gz DQIAHYSICICJDD-FQEVSTJZSA-N -1 0 382.464 3.025 50 0 GGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)n1 ZINC000002312394 570282210 /nfs/dbraw/zinc/28/22/10/570282210.db2.gz SRBIPWRIRGGZMN-KPKJPENVSA-N -1 0 394.456 3.238 50 0 GGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)nc(C)n1 ZINC000002342320 570283506 /nfs/dbraw/zinc/28/35/06/570283506.db2.gz FOHJWBGMHMUCSZ-UHFFFAOYSA-N -1 0 396.472 3.075 50 0 GGAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2cccnc2)c1 ZINC000020956723 570285671 /nfs/dbraw/zinc/28/56/71/570285671.db2.gz VMSWWEVAZAFCKO-UHFFFAOYSA-N -1 0 395.484 3.429 50 0 GGAARM CN(C)C(=O)c1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[n-]c1=O ZINC000215572965 570289978 /nfs/dbraw/zinc/28/99/78/570289978.db2.gz DCMPDKXRHXNDBX-UHFFFAOYSA-N -1 0 379.260 3.176 50 0 GGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)n1 ZINC000002709441 570295692 /nfs/dbraw/zinc/29/56/92/570295692.db2.gz LHYOUOKODLLMSF-UHFFFAOYSA-N -1 0 382.445 3.147 50 0 GGAARM CN1C(=O)N[C@H](c2ccccc2)C(=C([O-])c2cccs2)[C@@]1(O)C(F)(F)F ZINC000033416082 570313064 /nfs/dbraw/zinc/31/30/64/570313064.db2.gz SDDKJSUCARZMKN-WOSRLPQWSA-N -1 0 384.379 3.194 50 0 GGAARM CCC(N[C@H](C)c1ccccc1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000006186938 570318311 /nfs/dbraw/zinc/31/83/11/570318311.db2.gz DILCOAXBIAQYJD-AMGRQBIBSA-N -1 0 377.444 3.280 50 0 GGAARM Cn1nc(CNC(=O)OCC2c3ccccc3-c3ccccc32)cc1C(=O)[O-] ZINC000725262449 570319095 /nfs/dbraw/zinc/31/90/95/570319095.db2.gz DQEJMWHZJRIZOA-UHFFFAOYSA-N -1 0 377.400 3.157 50 0 GGAARM Cc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)N[C@@H](C)C(=O)[O-])cc1 ZINC000002982751 570322541 /nfs/dbraw/zinc/32/25/41/570322541.db2.gz ASFSUAZOJDNEJP-HNEYUBDGSA-N -1 0 386.835 3.009 50 0 GGAARM COc1ccc(OC)c(-n2c(-c3cc(=O)[nH]c4ccccc43)n[n-]c2=S)c1 ZINC000100223568 570330200 /nfs/dbraw/zinc/33/02/00/570330200.db2.gz NTASQWDTWBKZPG-UHFFFAOYSA-N -1 0 380.429 3.494 50 0 GGAARM CCOC(=O)N[C@@]([N-]c1cc(Cl)ccc1OC)(C(=O)OCC)C(F)(F)F ZINC000003138687 570330819 /nfs/dbraw/zinc/33/08/19/570330819.db2.gz SPGAXRSETXQNCD-AWEZNQCLSA-N -1 0 398.765 3.328 50 0 GGAARM CN1C2=C(C(=O)N(c3cccc(C(=O)[O-])c3)C2)[C@H](c2ccc(Cl)cc2)NC1=O ZINC000035326671 570341143 /nfs/dbraw/zinc/34/11/43/570341143.db2.gz TZXVCNGXOULRID-KRWDZBQOSA-N -1 0 397.818 3.035 50 0 GGAARM COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)[O-])c(OC)c1 ZINC000004860350 570349816 /nfs/dbraw/zinc/34/98/16/570349816.db2.gz KKDCRKABMDMFKL-SFHVURJKSA-N -1 0 382.416 3.246 50 0 GGAARM COc1ccc(CCn2c(=O)c3c4c(sc3[n-]c2=S)CCC4)cc1OC ZINC000003886687 570353488 /nfs/dbraw/zinc/35/34/88/570353488.db2.gz YOWCQBNSNZMYAT-UHFFFAOYSA-N -1 0 388.514 3.495 50 0 GGAARM Cc1nn(CC[N-]S(=O)(=O)c2c(F)cccc2F)c(C)c1-c1ccco1 ZINC000575615384 570354107 /nfs/dbraw/zinc/35/41/07/570354107.db2.gz OLEFKWMUUJKBHQ-UHFFFAOYSA-N -1 0 381.404 3.017 50 0 GGAARM COC(=O)C[C@H](c1ccccc1)c1c(=O)nc2ccc(C(F)(F)F)cn2c1[O-] ZINC000205979336 570357206 /nfs/dbraw/zinc/35/72/06/570357206.db2.gz LKGATXAEYPJKLE-CYBMUJFWSA-N -1 0 392.333 3.114 50 0 GGAARM CC(C)(C)OC(=O)N1CCN([C@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC1 ZINC000004241804 570363749 /nfs/dbraw/zinc/36/37/49/570363749.db2.gz IYIQZDBAVIZZOC-AWEZNQCLSA-N -1 0 388.386 3.384 50 0 GGAARM CC(NNc1cccc2ccccc21)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000006316775 570377099 /nfs/dbraw/zinc/37/70/99/570377099.db2.gz APYKNPPLXCKDAT-XMHGGMMESA-N -1 0 392.459 3.441 50 0 GGAARM CCSc1nnc([N-]C(=O)c2coc(NC(=O)c3cc(C)oc3C)n2)s1 ZINC000090582931 570380666 /nfs/dbraw/zinc/38/06/66/570380666.db2.gz AITMSKXHBXWUIM-UHFFFAOYSA-N -1 0 393.450 3.353 50 0 GGAARM CCOC(=O)c1cnn2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc12 ZINC000090607212 570383150 /nfs/dbraw/zinc/38/31/50/570383150.db2.gz BJXVGXYSIXSWRM-UHFFFAOYSA-N -1 0 397.815 3.104 50 0 GGAARM COc1ccc(/C=C\C(=O)Oc2ccc([C@H]3N[C@@H](C(=O)[O-])CS3)cc2)cc1 ZINC000004554654 570384074 /nfs/dbraw/zinc/38/40/74/570384074.db2.gz OQTROSVEURESEK-HYIILBAVSA-N -1 0 385.441 3.102 50 0 GGAARM COc1cc2c(cc1OC)[C@@H](C(=O)[O-])[C@H](c1ccc(SC)cc1)N(C)C2=O ZINC000004563263 570384662 /nfs/dbraw/zinc/38/46/62/570384662.db2.gz HFVAADLZVRXGFP-MSOLQXFVSA-N -1 0 387.457 3.421 50 0 GGAARM COc1ccc(Cl)cc1NC(=O)c1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000004593107 570386188 /nfs/dbraw/zinc/38/61/88/570386188.db2.gz ZTILVNXCWLINCP-UHFFFAOYSA-N -1 0 376.796 3.404 50 0 GGAARM CC(C)CCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2C(N)=O)c1=O ZINC000100534673 570386907 /nfs/dbraw/zinc/38/69/07/570386907.db2.gz UPZFHMIFFAMBTL-UHFFFAOYSA-N -1 0 393.443 3.104 50 0 GGAARM Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)c(C)c1 ZINC000004618248 570388330 /nfs/dbraw/zinc/38/83/30/570388330.db2.gz FCBLYCLFJYEHDY-UHFFFAOYSA-N -1 0 390.461 3.216 50 0 GGAARM CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)[O-] ZINC000004652206 570389696 /nfs/dbraw/zinc/38/96/96/570389696.db2.gz CIDROYNIYJXIBO-BVIHXZOGSA-N -1 0 377.462 3.339 50 0 GGAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2sc3c(c2C(N)=O)CCCC3)C1 ZINC000004651486 570389779 /nfs/dbraw/zinc/38/97/79/570389779.db2.gz VKEVUPIIATWBTD-OLZOCXBDSA-N -1 0 376.478 3.112 50 0 GGAARM C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccccc1 ZINC000004662686 570390611 /nfs/dbraw/zinc/39/06/11/570390611.db2.gz WNGCRAXPYFJWHB-HNNXBMFYSA-N -1 0 396.472 3.410 50 0 GGAARM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1 ZINC000004674054 570392202 /nfs/dbraw/zinc/39/22/02/570392202.db2.gz CTAZHQYTIOTNFH-UHFFFAOYSA-N -1 0 382.445 3.147 50 0 GGAARM COc1ccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)[O-])C2=O)cc1Cl ZINC000005016012 570396793 /nfs/dbraw/zinc/39/67/93/570396793.db2.gz YCMYLBLHNAQCLX-OAHLLOKOSA-N -1 0 391.832 3.471 50 0 GGAARM COc1ccc([C@H]2CC(c3c(=O)cc(C)oc3[O-])=NCCS2)cc1OC ZINC000137817244 570398028 /nfs/dbraw/zinc/39/80/28/570398028.db2.gz GJKQWXKPVUZFAI-QGZVFWFLSA-N -1 0 375.446 3.338 50 0 GGAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccccn2)cc1 ZINC000004756860 570403830 /nfs/dbraw/zinc/40/38/30/570403830.db2.gz HHAHHYMGHJTPDZ-UHFFFAOYSA-N -1 0 381.457 3.121 50 0 GGAARM COc1ccc([C@H]2CC(c3c([O-])[nH]c(=O)sc3=O)=Nc3ccccc3N2)cc1 ZINC000035622690 570404272 /nfs/dbraw/zinc/40/42/72/570404272.db2.gz ZOOMZKCPTDRUCM-OAHLLOKOSA-N -1 0 395.440 3.189 50 0 GGAARM COC(=O)c1ccc(NC(=O)c2c([O-])c3ccccc3n(CC(C)C)c2=O)cc1 ZINC000100590633 570408644 /nfs/dbraw/zinc/40/86/44/570408644.db2.gz XUZYOGCIVIACRO-UHFFFAOYSA-N -1 0 394.427 3.402 50 0 GGAARM COc1cc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)c(C(=O)[O-])cc1OC ZINC000004828495 570409185 /nfs/dbraw/zinc/40/91/85/570409185.db2.gz PDKUGNWWPLIKOR-JTQLQIEISA-N -1 0 379.796 3.461 50 0 GGAARM O=C([O-])c1ccccc1NC(=O)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 ZINC000004845773 570411548 /nfs/dbraw/zinc/41/15/48/570411548.db2.gz XDMHCXLGYRKVNG-HZPDHXFCSA-N -1 0 390.395 3.093 50 0 GGAARM CC(=O)c1[n-]n(-c2cccc(Cl)c2C)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000004863211 570413280 /nfs/dbraw/zinc/41/32/80/570413280.db2.gz YWDVPLBEQHJTIH-PKOBYXMFSA-N -1 0 395.846 3.280 50 0 GGAARM CC(=O)c1[n-]n(-c2cccc(Cl)c2C)c2c(O)n(-c3ccc(C)cc3)c(=O)c1-2 ZINC000004863212 570413441 /nfs/dbraw/zinc/41/34/41/570413441.db2.gz YWDVPLBEQHJTIH-MJGOQNOKSA-N -1 0 395.846 3.280 50 0 GGAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(C)=O ZINC000005099533 570416368 /nfs/dbraw/zinc/41/63/68/570416368.db2.gz OWOPTXJHSGBZAJ-UHFFFAOYSA-N -1 0 388.489 3.412 50 0 GGAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc4nnc(C)n4n3)c2)s1 ZINC000005150901 570428557 /nfs/dbraw/zinc/42/85/57/570428557.db2.gz BGQGIGPQLMQOFK-UHFFFAOYSA-N -1 0 385.474 3.270 50 0 GGAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1cc2c3c(c1)CCCN3C(=O)[C@H]2C ZINC000005153795 570429441 /nfs/dbraw/zinc/42/94/41/570429441.db2.gz UKMYSZVARQHUQY-NSHDSACASA-N -1 0 390.436 3.031 50 0 GGAARM CC[C@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)[O-] ZINC000026771822 570437154 /nfs/dbraw/zinc/43/71/54/570437154.db2.gz JBZBRWDJWNACCC-OVWNDWIMSA-N -1 0 385.416 3.314 50 0 GGAARM CC[C@H](C)[C@@H](NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)[O-] ZINC000026771821 570437210 /nfs/dbraw/zinc/43/72/10/570437210.db2.gz JBZBRWDJWNACCC-APBUJDDRSA-N -1 0 385.416 3.314 50 0 GGAARM CC(=O)N[C@@H](CS[C@H](CC(=O)c1ccco1)c1ccc(C)cc1)C(=O)[O-] ZINC000001896362 570439454 /nfs/dbraw/zinc/43/94/54/570439454.db2.gz BRJQWYCYACSFKM-MAUKXSAKSA-N -1 0 375.446 3.225 50 0 GGAARM CC(=O)N[C@H](CS[C@@H](CC(=O)c1ccco1)c1ccc(C)cc1)C(=O)[O-] ZINC000001896368 570439574 /nfs/dbraw/zinc/43/95/74/570439574.db2.gz BRJQWYCYACSFKM-QAPCUYQASA-N -1 0 375.446 3.225 50 0 GGAARM O=C([O-])c1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2ccccc2Cl)cc1 ZINC000223092089 570442776 /nfs/dbraw/zinc/44/27/76/570442776.db2.gz BYKZWUWZAFZBTN-IAGOWNOFSA-N -1 0 375.808 3.005 50 0 GGAARM COc1ccccc1Oc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000005753070 570455432 /nfs/dbraw/zinc/45/54/32/570455432.db2.gz JBEFGVKJNHLKKB-INIZCTEOSA-N -1 0 393.461 3.265 50 0 GGAARM COc1cc2c(cc1NC(=O)CSc1nccc(=O)[nH]1)oc1ccccc12 ZINC000006294813 570476089 /nfs/dbraw/zinc/47/60/89/570476089.db2.gz LFLPQBFIHCXNCM-UHFFFAOYSA-N -1 0 381.413 3.409 50 0 GGAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1 ZINC000006659276 570486166 /nfs/dbraw/zinc/48/61/66/570486166.db2.gz ARZJFKNSGYKJPF-KGLIPLIRSA-N -1 0 398.381 3.148 50 0 GGAARM O=C([O-])c1cc(NC(=O)CSc2ncn(-c3ccccc3)n2)ccc1Cl ZINC000006690922 570488207 /nfs/dbraw/zinc/48/82/07/570488207.db2.gz QILFJOSIHBZIFG-UHFFFAOYSA-N -1 0 388.836 3.350 50 0 GGAARM O=C([O-])CCCCCNC(=O)/C(=C/c1ccco1)NC(=O)/C=C/c1ccccc1 ZINC000006594338 570489324 /nfs/dbraw/zinc/48/93/24/570489324.db2.gz KLTMWLZODQIWQE-HZFQEMMZSA-N -1 0 396.443 3.211 50 0 GGAARM Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c21 ZINC000006624190 570508287 /nfs/dbraw/zinc/50/82/87/570508287.db2.gz GXCHUCIRKWIGNA-SFHVURJKSA-N -1 0 385.416 3.232 50 0 biogenic GGAARM O=C([O-])[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000032099056 570508487 /nfs/dbraw/zinc/50/84/87/570508487.db2.gz ZDGWFBWXFWDVGM-WCIQWLHISA-N -1 0 379.412 3.156 50 0 GGAARM CC(C)c1nnc(NC(=O)C[C@@H]([N-]C(=O)C(F)(F)F)c2ccccc2)s1 ZINC000002751042 570513396 /nfs/dbraw/zinc/51/33/96/570513396.db2.gz WLSOALHKVQCBFQ-LLVKDONJSA-N -1 0 386.399 3.410 50 0 GGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cnn(Cc3ccc(C)cc3)c2)c1 ZINC000002755118 570513711 /nfs/dbraw/zinc/51/37/11/570513711.db2.gz LLNLRZIJGUXNAY-UHFFFAOYSA-N -1 0 387.461 3.058 50 0 GGAARM Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1ccn(C)n1)CC[C@@H](C(C)(C)C)C3 ZINC000002778509 570515706 /nfs/dbraw/zinc/51/57/06/570515706.db2.gz DUDQPUMFIHEZRY-GFCCVEGCSA-N -1 0 399.520 3.035 50 0 GGAARM CCn1cc(S(=O)(=O)[N-]c2c(C)nn(Cc3ccccc3C)c2C)c(C)n1 ZINC000002791877 570517597 /nfs/dbraw/zinc/51/75/97/570517597.db2.gz VJMKCPJQLNENTR-UHFFFAOYSA-N -1 0 387.509 3.182 50 0 GGAARM Cc1c(-c2ccccc2)nn2c1ncc(C(=O)Nc1cccc(C(=O)[O-])c1)c2N ZINC000071283424 570524029 /nfs/dbraw/zinc/52/40/29/570524029.db2.gz KJBMHSUKLJWZFZ-UHFFFAOYSA-N -1 0 387.399 3.237 50 0 GGAARM CC1(C)[C@H](C(=O)Nc2ccc(C(=O)Nc3cccnc3)c(Cl)c2)[C@@H]1C(=O)[O-] ZINC000071284586 570524429 /nfs/dbraw/zinc/52/44/29/570524429.db2.gz XSBZJYZYUZUBTA-LSDHHAIUSA-N -1 0 387.823 3.283 50 0 GGAARM O=C([O-])c1ccccc1CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 ZINC000071284847 570525723 /nfs/dbraw/zinc/52/57/23/570525723.db2.gz RELFATODBLRHKZ-UHFFFAOYSA-N -1 0 381.413 3.275 50 0 GGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1c(F)cccc1F ZINC000000945084 570534391 /nfs/dbraw/zinc/53/43/91/570534391.db2.gz GRBIGOVMWKTWDE-UHFFFAOYSA-N -1 0 395.412 3.474 50 0 GGAARM COc1cc(Cl)c(C)cc1NC(=O)CSc1nc2c(c(=O)[nH]1)CCCC2 ZINC000008587331 570534722 /nfs/dbraw/zinc/53/47/22/570534722.db2.gz YPFPYVNMFQPOAH-UHFFFAOYSA-N -1 0 393.896 3.350 50 0 GGAARM CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3CC)c1 ZINC000022732861 570540998 /nfs/dbraw/zinc/54/09/98/570540998.db2.gz MKSZPZCQIFXVHN-UHFFFAOYSA-N -1 0 388.489 3.358 50 0 GGAARM O=C1O[C@H](Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c2ccccc21 ZINC000006727474 570554093 /nfs/dbraw/zinc/55/40/93/570554093.db2.gz DVVYOICMFQPQIE-HNNXBMFYSA-N -1 0 387.442 3.225 50 0 GGAARM COc1cc(NS(=O)(=O)c2ccc(F)cc2C)ccc1N1CCCC1=O ZINC000005329420 570554676 /nfs/dbraw/zinc/55/46/76/570554676.db2.gz GFRMYRIFCSOSCB-UHFFFAOYSA-N -1 0 378.425 3.070 50 0 GGAARM [O-]c1c([C@H](c2ccccc2)N2CCC(O)CC2)sc2nc(-c3ccco3)nn12 ZINC000022851826 570556463 /nfs/dbraw/zinc/55/64/63/570556463.db2.gz ADYLPRJCCCZAJJ-INIZCTEOSA-N -1 0 396.472 3.303 50 0 GGAARM CCc1nc2sc([C@@H](c3ccccc3Cl)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855162 570557441 /nfs/dbraw/zinc/55/74/41/570557441.db2.gz NDNCZHHZCAWGGB-OAHLLOKOSA-N -1 0 392.912 3.258 50 0 GGAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 ZINC000036558984 570565334 /nfs/dbraw/zinc/56/53/34/570565334.db2.gz DKKRXSGHPZBHGX-MORSLUCNSA-N -1 0 380.510 3.158 50 0 GGAARM CCOC(=O)[C@H](CC(C)C)C[P@@](=O)([O-])CNC(=O)OCc1ccccc1 ZINC000004327092 570572646 /nfs/dbraw/zinc/57/26/46/570572646.db2.gz HJGUVULCFZQIOX-MRXNPFEDSA-N -1 0 385.397 3.366 50 0 GGAARM COc1ccc(C2=NO[C@@](CC(=O)[O-])(C(=O)Nc3ccc(C)cc3C)C2)cc1 ZINC000005452067 570597701 /nfs/dbraw/zinc/59/77/01/570597701.db2.gz ORRWBHUYPWWCQM-NRFANRHFSA-N -1 0 382.416 3.289 50 0 GGAARM O=C([O-])Cc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1 ZINC000040486275 570598180 /nfs/dbraw/zinc/59/81/80/570598180.db2.gz IFOFQJZPLCMORM-UHFFFAOYSA-N -1 0 377.396 3.265 50 0 GGAARM CCN(CC)c1cccc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)c1 ZINC000042783152 570622834 /nfs/dbraw/zinc/62/28/34/570622834.db2.gz QYJBRFJEESJRQG-IRXDYDNUSA-N -1 0 378.469 3.374 50 0 GGAARM CC(C)Cc1ccc(S(=O)(=O)[N-]NC(=S)N[C@@H](C)c2ccccc2)cc1 ZINC000006827382 570625254 /nfs/dbraw/zinc/62/52/54/570625254.db2.gz WDBNTVPPALEAFI-HNNXBMFYSA-N -1 0 391.562 3.304 50 0 GGAARM Cc1ccc(C(=O)[C@H](NC(=O)c2ccco2)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000005531559 570629748 /nfs/dbraw/zinc/62/97/48/570629748.db2.gz GZGRYMWNPDNFCT-IBGZPJMESA-N -1 0 378.384 3.337 50 0 GGAARM O=C([O-])[C@]1(CNC(=O)OCC2c3ccccc3-c3ccccc32)CCCOC1 ZINC000685945065 570675745 /nfs/dbraw/zinc/67/57/45/570675745.db2.gz ROPSOULNRQHBBZ-QFIPXVFZSA-N -1 0 381.428 3.407 50 0 GGAARM O=C([O-])[C@@]1(F)CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC12COC2 ZINC000399851163 570678337 /nfs/dbraw/zinc/67/83/37/570678337.db2.gz HJGQMGYYHMPJNP-QFIPXVFZSA-N -1 0 397.402 3.061 50 0 GGAARM O=C([O-])[C@@H]1[C@H]2CC(=O)C[C@@H]2CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000238789991 570679502 /nfs/dbraw/zinc/67/95/02/570679502.db2.gz CJRUPEXNZOFRTP-XFPJRNFQSA-N -1 0 391.423 3.300 50 0 GGAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N(Cc2ccccc2)c2ccccn2)cc1 ZINC000005798864 570692460 /nfs/dbraw/zinc/69/24/60/570692460.db2.gz KXGMZXHBCWPYJK-UHFFFAOYSA-N -1 0 381.457 3.495 50 0 GGAARM CCN(Cc1cc2ccccc2o1)C(=O)[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000000903769 570724292 /nfs/dbraw/zinc/72/42/92/570724292.db2.gz PKEVTHGRIYYNDC-UHFFFAOYSA-N -1 0 388.445 3.362 50 0 GGAARM Cc1nc(NC(=O)CN2CCCC[C@@H]2c2cccc(F)c2)sc1C(=O)[O-] ZINC000252492032 570728228 /nfs/dbraw/zinc/72/82/28/570728228.db2.gz MBDQPEUTIJNIJW-CQSZACIVSA-N -1 0 377.441 3.455 50 0 GGAARM CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000252482532 570728268 /nfs/dbraw/zinc/72/82/68/570728268.db2.gz DIMKORKNAQYNSE-UHFFFAOYSA-N -1 0 376.478 3.283 50 0 GGAARM COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCC(=O)[O-] ZINC000005728272 570734345 /nfs/dbraw/zinc/73/43/45/570734345.db2.gz JFIJSBJMMSIDRP-UHFFFAOYSA-N -1 0 386.429 3.415 50 0 GGAARM COCCn1c2nc(-c3ccc(Cl)cc3)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000036617310 570754615 /nfs/dbraw/zinc/75/46/15/570754615.db2.gz JJNTXKNILXJZCM-UHFFFAOYSA-N -1 0 391.836 3.119 50 0 GGAARM O=C([O-])c1cc(S(=O)(=O)N2CCS[C@@H](c3ccccc3)CC2)ccc1F ZINC000206990163 570764136 /nfs/dbraw/zinc/76/41/36/570764136.db2.gz WJLSQEIOJBYCRY-QGZVFWFLSA-N -1 0 395.477 3.393 50 0 GGAARM Cc1cc2c(c(=O)n1C)[C@@H](c1ccc(-c3ccc(C(=O)[O-])cc3)o1)CC(=O)O2 ZINC000524729673 570765644 /nfs/dbraw/zinc/76/56/44/570765644.db2.gz DGRBOVBZGQOWNW-CQSZACIVSA-N -1 0 379.368 3.093 50 0 biogenic GGAARM COC(=O)c1cn([C@@H](CC(=O)[O-])c2cccc3ccccc32)cc2c(=O)[nH]nc1-2 ZINC000524734243 570770322 /nfs/dbraw/zinc/77/03/22/570770322.db2.gz MNJDINYAUMUZKM-KRWDZBQOSA-N -1 0 391.383 3.092 50 0 GGAARM COc1cc2c(cc1OC)[C@@H](NC(=O)c1c(=O)[nH]c3ccccc3c1[O-])CC2 ZINC000524734867 570772343 /nfs/dbraw/zinc/77/23/43/570772343.db2.gz SBALISXWHGMRIS-HNNXBMFYSA-N -1 0 380.400 3.081 50 0 GGAARM CC(=O)c1[n-]n(-c2ccc(C)cc2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000100892398 570779155 /nfs/dbraw/zinc/77/91/55/570779155.db2.gz TWSLCQBUOKIILH-HKUYNNGSSA-N -1 0 395.846 3.280 50 0 GGAARM O=C1CC(N2C(=O)SC(=Cc3ccc(F)cc3)C2=O)=C([O-])N1c1ccccc1 ZINC000004456227 570785060 /nfs/dbraw/zinc/78/50/60/570785060.db2.gz NSZRAGOVACGREH-BMANGOCTSA-N -1 0 396.399 3.194 50 0 GGAARM COc1ccc(CCNC(=O)C[C@H](Cc2ccc(C)cc2)C(=O)[O-])cc1OC ZINC000005928794 570804556 /nfs/dbraw/zinc/80/45/56/570804556.db2.gz PIKHMWOWIRBUFW-SFHVURJKSA-N -1 0 385.460 3.005 50 0 biogenic GGAARM O=c1c2[n-][nH]n(Cc3c(F)cccc3Cl)c=2c(=O)n1-c1ccc(F)cc1 ZINC000004483688 570805078 /nfs/dbraw/zinc/80/50/78/570805078.db2.gz QBMGMCJQUISYET-CABCVRRESA-N -1 0 376.750 3.112 50 0 GGAARM CCOc1ccc(-n2[nH][n-]c3c(=O)n(-c4cccc(SC)c4)c(=O)c2=3)cc1 ZINC000101277741 570818475 /nfs/dbraw/zinc/81/84/75/570818475.db2.gz APFHFFGQHPMICI-DLBZAZTESA-N -1 0 382.445 3.305 50 0 GGAARM CC[C@H](C)n1c(=O)c([C@@H]2OC(=O)c3c2ccc(OC)c3OC)c([O-])[nH]c1=S ZINC000002126292 570834671 /nfs/dbraw/zinc/83/46/71/570834671.db2.gz OSGJRKXNIUBYKE-ISVAXAHUSA-N -1 0 392.433 3.272 50 0 biogenic GGAARM O=C([O-])[C@@H](C[C@H]1CCOC1)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000226811554 570848137 /nfs/dbraw/zinc/84/81/37/570848137.db2.gz WMXXWGFTNHLUAL-JLTOFOAXSA-N -1 0 381.428 3.405 50 0 GGAARM Cc1cc(C)nc(-n2nc3[nH]cc4c(c-3c2=O)C[C@@H](c2ccccc2)CC4=O)n1 ZINC000102752671 570862310 /nfs/dbraw/zinc/86/23/10/570862310.db2.gz FMHPDQAKVCBCJE-OAHLLOKOSA-N -1 0 385.427 3.446 50 0 GGAARM O=C([O-])C1=Nc2c(C(=O)Nc3cccc(F)c3)cnn2[C@H](c2ccc(F)cc2)C1 ZINC000102810849 570865410 /nfs/dbraw/zinc/86/54/10/570865410.db2.gz GOMLCTRQVOTULK-KRWDZBQOSA-N -1 0 396.353 3.397 50 0 GGAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3F)cnn2[C@H](c2ccccc2F)C1 ZINC000102820697 570865879 /nfs/dbraw/zinc/86/58/79/570865879.db2.gz ZLWFPIGAYLODCY-KRWDZBQOSA-N -1 0 396.353 3.397 50 0 GGAARM O=C([O-])C1=Nc2c(C(=O)Nc3ccccc3F)cnn2[C@@H](c2ccccc2F)C1 ZINC000102820699 570865961 /nfs/dbraw/zinc/86/59/61/570865961.db2.gz ZLWFPIGAYLODCY-QGZVFWFLSA-N -1 0 396.353 3.397 50 0 GGAARM COc1ccc(S(=O)(=O)[N-]c2c(C)nc(N3CCCC3)nc2C)cc1Cl ZINC000207976708 570869685 /nfs/dbraw/zinc/86/96/85/570869685.db2.gz XLCVFFPIXYWGFZ-UHFFFAOYSA-N -1 0 396.900 3.156 50 0 GGAARM Cc1ccc(S(=O)(=O)c2c(Nc3ccccc3)[n-]n3c2nc(C)cc3=O)cc1 ZINC000102923761 570870390 /nfs/dbraw/zinc/87/03/90/570870390.db2.gz ZMDKGYYQRSJFGY-UHFFFAOYSA-N -1 0 394.456 3.216 50 0 GGAARM COc1ccc(NC(=O)c2cnn3c2N=C(C(=O)[O-])C[C@H]3c2ccccc2)cc1 ZINC000102901131 570870949 /nfs/dbraw/zinc/87/09/49/570870949.db2.gz ARMNNMYZCBWUOK-SFHVURJKSA-N -1 0 390.399 3.127 50 0 GGAARM Cc1cc(C)c(C)c(S(=O)(=O)NC[C@H](CC(=O)[O-])c2ccccc2)c1C ZINC000003623213 570878721 /nfs/dbraw/zinc/87/87/21/570878721.db2.gz MYMOJOAZKZTVDH-SFHVURJKSA-N -1 0 375.490 3.457 50 0 GGAARM CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(OC)cc2OC)cc1 ZINC000003623752 570878727 /nfs/dbraw/zinc/87/87/27/570878727.db2.gz YHLTXFOBVQPZDH-SFHVURJKSA-N -1 0 387.432 3.438 50 0 GGAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 ZINC000071284587 570887873 /nfs/dbraw/zinc/88/78/73/570887873.db2.gz XSBZJYZYUZUBTA-HUUCEWRRSA-N -1 0 387.823 3.283 50 0 GGAARM COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)[C@H]1[C@@H](C(=O)[O-])C1(C)C ZINC000071285189 570887926 /nfs/dbraw/zinc/88/79/26/570887926.db2.gz ZNGSVQWWEJIXPX-SJORKVTESA-N -1 0 382.416 3.243 50 0 GGAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(C(=O)Nc2cccnc2)c(Cl)c1 ZINC000071284588 570887964 /nfs/dbraw/zinc/88/79/64/570887964.db2.gz XSBZJYZYUZUBTA-GJZGRUSLSA-N -1 0 387.823 3.283 50 0 GGAARM CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)cc1 ZINC000071286073 570888333 /nfs/dbraw/zinc/88/83/33/570888333.db2.gz BMVCMYWHQHLEIR-ROUUACIJSA-N -1 0 380.444 3.254 50 0 GGAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(C(=O)NC2CCCC2)c(Cl)c1 ZINC000071285888 570888458 /nfs/dbraw/zinc/88/84/58/570888458.db2.gz VFWPCOHRJNMSKQ-HUUCEWRRSA-N -1 0 378.856 3.308 50 0 GGAARM CC1(C)[C@H](C(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccn3)c2)[C@@H]1C(=O)[O-] ZINC000071287712 570888874 /nfs/dbraw/zinc/88/88/74/570888874.db2.gz ILNYCYSKQCXLIK-LSDHHAIUSA-N -1 0 387.823 3.283 50 0 GGAARM O=C([O-])c1ccccc1CC(=O)Nc1ccc(-c2nnc(-c3ccncc3)[nH]2)cc1 ZINC000071288274 570889249 /nfs/dbraw/zinc/88/92/49/570889249.db2.gz GMEVRQXYTQHSIO-UHFFFAOYSA-N -1 0 399.410 3.413 50 0 GGAARM O=C([O-])c1ccccc1CC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 ZINC000071288239 570889258 /nfs/dbraw/zinc/88/92/58/570889258.db2.gz UJYZUFWZQPBLLQ-UHFFFAOYSA-N -1 0 375.384 3.213 50 0 GGAARM COc1ccccc1OC(C)(C)C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC000299756043 570891733 /nfs/dbraw/zinc/89/17/33/570891733.db2.gz AQMLQVYEEIHTFM-QFIPXVFZSA-N -1 0 383.444 3.108 50 0 GGAARM COc1ccc(-c2nn3c(nc(C)cc3-n3[n-]c(C)cc3=O)c2C)cc1OC ZINC000023118862 570909405 /nfs/dbraw/zinc/90/94/05/570909405.db2.gz PBCOCLTUBABWOT-UHFFFAOYSA-N -1 0 379.420 3.143 50 0 GGAARM Cc1nc2sc([C@H](c3ccco3)N3CCN(c4ccccc4)CC3)c([O-])n2n1 ZINC000023158116 570920968 /nfs/dbraw/zinc/92/09/68/570920968.db2.gz IAQYPOZVARWFMG-KRWDZBQOSA-N -1 0 395.488 3.309 50 0 GGAARM CCCC[C@@H](NC(=O)[C@@H](C)Oc1ccc2c(CC)cc(=O)oc2c1C)C(=O)[O-] ZINC000004046641 570924925 /nfs/dbraw/zinc/92/49/25/570924925.db2.gz MBSGLPJJKZLHQA-CZUORRHYSA-N -1 0 389.448 3.191 50 0 biogenic GGAARM CCc1cc(=O)oc2cc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])c3ccccc3)ccc12 ZINC000004046722 570925014 /nfs/dbraw/zinc/92/50/14/570925014.db2.gz WXRJBUAEMUEPGE-XCLFUZPHSA-N -1 0 395.411 3.065 50 0 biogenic GGAARM COc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1C(=O)Nc1ccccc1 ZINC000006707008 570938851 /nfs/dbraw/zinc/93/88/51/570938851.db2.gz NMCDZCOAOUHWPS-UHFFFAOYSA-N -1 0 383.429 3.143 50 0 GGAARM CCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc12 ZINC000002092669 570940573 /nfs/dbraw/zinc/94/05/73/570940573.db2.gz MYKUEYLWHSCVIX-INIZCTEOSA-N -1 0 389.448 3.048 50 0 biogenic GGAARM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)[O-] ZINC000002100603 570942250 /nfs/dbraw/zinc/94/22/50/570942250.db2.gz JBZBRWDJWNACCC-DGIBIBHMSA-N -1 0 385.416 3.314 50 0 biogenic GGAARM CC[C@@H](NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)[O-] ZINC000002102948 570942805 /nfs/dbraw/zinc/94/28/05/570942805.db2.gz RMNXDEAKRQVRFK-MRXNPFEDSA-N -1 0 385.416 3.376 50 0 biogenic GGAARM CCCCn1c2ccccc2c([O-])c(C2=NS(=O)(=O)c3ccccc3N2)c1=O ZINC000101007114 570949398 /nfs/dbraw/zinc/94/93/98/570949398.db2.gz NQKPXUGRVIESOZ-UHFFFAOYSA-N -1 0 397.456 3.068 50 0 in-vitro GGAARM Cc1c(OCC(=O)[O-])ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 ZINC000002131117 570962133 /nfs/dbraw/zinc/96/21/33/570962133.db2.gz JSMIVSVNRISIEG-UHFFFAOYSA-N -1 0 378.336 3.338 50 0 biogenic GGAARM CCCCCCc1c(C)c2ccc(OCC(=O)NCCC(=O)[O-])cc2oc1=O ZINC000002140486 570969552 /nfs/dbraw/zinc/96/95/52/570969552.db2.gz PSKLWCDKWPBJGR-UHFFFAOYSA-N -1 0 389.448 3.194 50 0 biogenic GGAARM CCCCc1cc(=O)oc2cc(OCC(=O)N[C@H](CCCC)C(=O)[O-])ccc12 ZINC000002156136 570973337 /nfs/dbraw/zinc/97/33/37/570973337.db2.gz ZQBBPBMHIAYIIW-QGZVFWFLSA-N -1 0 389.448 3.274 50 0 biogenic GGAARM CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@H](CCC)C(=O)[O-])ccc12 ZINC000002157036 570973391 /nfs/dbraw/zinc/97/33/91/570973391.db2.gz ZDFKYSTVJHUZOC-MRXNPFEDSA-N -1 0 389.448 3.192 50 0 biogenic GGAARM CCCCc1cc(=O)oc2c(C)c(OCC(=O)N[C@@H](CCC)C(=O)[O-])ccc12 ZINC000002157034 570973541 /nfs/dbraw/zinc/97/35/41/570973541.db2.gz ZDFKYSTVJHUZOC-INIZCTEOSA-N -1 0 389.448 3.192 50 0 biogenic GGAARM CC(C)C[C@H](NC(=O)/C(=C\c1ccccc1F)NC(=O)c1ccccc1)C(=O)[O-] ZINC000004772371 570976388 /nfs/dbraw/zinc/97/63/88/570976388.db2.gz MQTWTLUVQMFSMO-BIRYMOPTSA-N -1 0 398.434 3.212 50 0 GGAARM CC(C)COc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)[O-])cc1 ZINC000033344715 570991898 /nfs/dbraw/zinc/99/18/98/570991898.db2.gz XILQAKHRDQLJSJ-MFOYZWKCSA-N -1 0 383.400 3.306 50 0 GGAARM O=C([O-])C[C@]1(O)CCCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000725240729 570995298 /nfs/dbraw/zinc/99/52/98/570995298.db2.gz ZFORXGLBDIREBB-JOCHJYFZSA-N -1 0 381.428 3.237 50 0 GGAARM COc1cccc([C@@H]2CN(C(=O)c3ccc(F)c(Cl)c3)C[C@H]2C(=O)[O-])c1 ZINC000091737320 571028243 /nfs/dbraw/zinc/02/82/43/571028243.db2.gz AOVHJTCUCGFNCW-LSDHHAIUSA-N -1 0 377.799 3.428 50 0 GGAARM Cc1noc2nc(C3CC3)cc(C(=O)N3C[C@@H](c4ccccc4)[C@H](C(=O)[O-])C3)c12 ZINC000091830566 571032158 /nfs/dbraw/zinc/03/21/58/571032158.db2.gz BPFNRMZMAWLULV-DLBZAZTESA-N -1 0 391.427 3.349 50 0 GGAARM Cc1oc2c(c1C(=O)N1C[C@@H](c3ccc(F)cc3)[C@H](C(=O)[O-])C1)C(=O)CCC2 ZINC000091986408 571039135 /nfs/dbraw/zinc/03/91/35/571039135.db2.gz KITHJKCBFIRLHL-LSDHHAIUSA-N -1 0 385.391 3.187 50 0 GGAARM COc1c(F)cc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](C(=O)[O-])C2)cc1F ZINC000092021168 571041106 /nfs/dbraw/zinc/04/11/06/571041106.db2.gz IBNAEGUVRNKKDB-UONOGXRCSA-N -1 0 379.334 3.053 50 0 GGAARM CCC[C@@]1(C(=O)[O-])CCCN(C(=O)C2(c3ccc(F)cc3)CCOCC2)C1 ZINC000092062084 571043510 /nfs/dbraw/zinc/04/35/10/571043510.db2.gz FBMUMNXNIYAMKW-HXUWFJFHSA-N -1 0 377.456 3.367 50 0 GGAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CCC(=O)N3CCCCCC3)C2)cc1 ZINC000095352627 571050626 /nfs/dbraw/zinc/05/06/26/571050626.db2.gz QCTHWFWIJGTEHL-LJQANCHMSA-N -1 0 386.492 3.274 50 0 GGAARM COc1ccc(CC(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)cc1OC ZINC000095353777 571050885 /nfs/dbraw/zinc/05/08/85/571050885.db2.gz KRXACTGOWKRGCX-GOSISDBHSA-N -1 0 383.444 3.351 50 0 GGAARM Cc1[nH]c(=O)c(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)c(C)c1Cl ZINC000095353576 571051098 /nfs/dbraw/zinc/05/10/98/571051098.db2.gz VAWMXJXAWKKYDG-HNNXBMFYSA-N -1 0 388.851 3.363 50 0 GGAARM O=C([O-])[C@H](c1cc2ccccc2o1)N1CCN(Cc2cccc(F)c2)C(=O)C1 ZINC000095364425 571057413 /nfs/dbraw/zinc/05/74/13/571057413.db2.gz HVUNZGXYOFKYHY-FQEVSTJZSA-N -1 0 382.391 3.042 50 0 GGAARM CC(=O)c1c(C)nn(CCC(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)c1C ZINC000095372058 571061791 /nfs/dbraw/zinc/06/17/91/571061791.db2.gz VSYNBDULSNNQAW-LJQANCHMSA-N -1 0 397.475 3.197 50 0 GGAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)c3cnc(-c4cccnc4)nc3)C2)cc1 ZINC000095379144 571066280 /nfs/dbraw/zinc/06/62/80/571066280.db2.gz ADHGHNFINJKLAL-SFHVURJKSA-N -1 0 388.427 3.257 50 0 GGAARM O=C([O-])CCc1cc2n(n1)CCCN(Cc1ccc([C@H]3CCCO3)s1)C2 ZINC000095383126 571068696 /nfs/dbraw/zinc/06/86/96/571068696.db2.gz JMHBEAALROKILD-QGZVFWFLSA-N -1 0 375.494 3.219 50 0 GGAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3ccc(Cn4ccnc4)o3)C2)c1 ZINC000095387779 571071119 /nfs/dbraw/zinc/07/11/19/571071119.db2.gz RRERNMBDKIZEIF-KRWDZBQOSA-N -1 0 379.416 3.242 50 0 GGAARM CS(=O)(=O)[N-]c1nc(CC(=O)Nc2ccc(Cl)cc2Cl)cs1 ZINC000013720123 642375232 /nfs/dbraw/zinc/37/52/32/642375232.db2.gz FQRLLTUWHXDRJT-UHFFFAOYSA-N -1 0 380.278 3.003 50 0 GGAARM CS(=O)(=O)[N-]c1nc(CC(=O)Nc2c(Cl)cccc2Cl)cs1 ZINC000013735945 642375496 /nfs/dbraw/zinc/37/54/96/642375496.db2.gz HYESAFNEKZHUPQ-UHFFFAOYSA-N -1 0 380.278 3.003 50 0 GGAARM Cc1cnc(NC(=O)CCC(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)s1 ZINC000095473712 655029695 /nfs/dbraw/zinc/02/96/95/655029695.db2.gz IMMGTNJMCBKQNH-UHFFFAOYSA-N -1 0 382.467 3.087 50 0 GGAARM O=C([O-])CCCCCNC(=O)/C(=C\c1ccccc1F)NC(=O)c1ccccc1 ZINC000002257419 1398305972 /nfs/dbraw/zinc/30/59/72/1398305972.db2.gz SYGVDWBYAROWSA-XDJHFCHBSA-N -1 0 398.434 3.358 50 0 GGAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(NC4CC4)c(Cl)c1=O)(C3)C2 ZINC000002340817 1398308000 /nfs/dbraw/zinc/30/80/00/1398308000.db2.gz WFXGBAFDYQTIEZ-ORMMXULVSA-N -1 0 377.872 3.241 50 0 GGAARM COc1ccccc1-c1cc(C(F)(F)F)nc(OCn2ccc(C(=O)[O-])n2)n1 ZINC000002554390 1398312379 /nfs/dbraw/zinc/31/23/79/1398312379.db2.gz MEILCYRYHYJSHZ-UHFFFAOYSA-N -1 0 394.309 3.102 50 0 GGAARM O=S(=O)([N-]c1ncn(Cc2ccccc2F)n1)c1ccc2ccccc2c1 ZINC000002775129 1398318813 /nfs/dbraw/zinc/31/88/13/1398318813.db2.gz KNNNVWHRJSQWKV-UHFFFAOYSA-N -1 0 382.420 3.420 50 0 GGAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(COc3c(F)c(F)c(F)c(F)c3F)o2)N1 ZINC000002758574 1398319167 /nfs/dbraw/zinc/31/91/67/1398319167.db2.gz KCDILKWWFSOJBU-MDAAJZPYSA-N -1 0 395.305 3.342 50 0 GGAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1c(C)nn(Cc2cccc(Cl)c2)c1C ZINC000002805014 1398320217 /nfs/dbraw/zinc/32/02/17/1398320217.db2.gz LKOMIVGGSOMCML-UHFFFAOYSA-N -1 0 393.900 3.044 50 0 GGAARM CCCC[C@@H](CC)CNC(=O)C[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O ZINC000002966943 1398322571 /nfs/dbraw/zinc/32/25/71/1398322571.db2.gz QFMZBTJFMFYFRS-CJNGLKHVSA-N -1 0 386.521 3.077 50 0 GGAARM CCCC[C@@H](CC)CNC(=O)C[C@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O ZINC000002966947 1398323214 /nfs/dbraw/zinc/32/32/14/1398323214.db2.gz QFMZBTJFMFYFRS-CZUORRHYSA-N -1 0 386.521 3.077 50 0 GGAARM O=C([O-])c1ccc(N2C(=O)c3ccc(C(=O)Oc4ccccc4)cc3C2=O)cc1 ZINC000003196790 1398327942 /nfs/dbraw/zinc/32/79/42/1398327942.db2.gz NKVUPLWPNIBPLI-UHFFFAOYSA-N -1 0 387.347 3.405 50 0 GGAARM COc1ccc(-c2cn3cccnc3n2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000004033235 1398376868 /nfs/dbraw/zinc/37/68/68/1398376868.db2.gz XSMDKOMZBJYDCB-UHFFFAOYSA-N -1 0 398.419 3.345 50 0 GGAARM COc1ccc(-c2cn3cccnc3n2)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000004033233 1398377150 /nfs/dbraw/zinc/37/71/50/1398377150.db2.gz OSAPOHNDFUWXNB-UHFFFAOYSA-N -1 0 380.429 3.206 50 0 GGAARM Cc1coc2c1cc1c(C)c(CCC(=O)N3CCC[C@H]3C(=O)[O-])c(=O)oc1c2C ZINC000004060886 1398377833 /nfs/dbraw/zinc/37/78/33/1398377833.db2.gz MPNAVHPQOSRCPO-KRWDZBQOSA-N -1 0 397.427 3.473 50 0 biogenic GGAARM CC(C)c1ccc(C(=O)C[C@H](C(=O)[O-])N2CCN(Oc3ccccc3)CC2)cc1 ZINC000004118412 1398380908 /nfs/dbraw/zinc/38/09/08/1398380908.db2.gz SNNFWRDIPWHKEG-OAQYLSRUSA-N -1 0 396.487 3.448 50 0 GGAARM CCOC(=O)c1ccc(NC(=O)c2c([O-])c3ccccc3n(CC)c2=O)cc1 ZINC000005909332 1398490959 /nfs/dbraw/zinc/49/09/59/1398490959.db2.gz IKFNWTDHLQZOJD-UHFFFAOYSA-N -1 0 380.400 3.156 50 0 GGAARM Cc1coc2c1cc1c(C)c(CC(=O)N[C@@H](C(=O)[O-])C(C)C)c(=O)oc1c2C ZINC000006861361 1398569853 /nfs/dbraw/zinc/56/98/53/1398569853.db2.gz SCMILXJLUKLGAH-QGZVFWFLSA-N -1 0 385.416 3.232 50 0 GGAARM Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N3CCC[C@@H](C(=O)[O-])C3)c(C)c21 ZINC000008764409 1398846174 /nfs/dbraw/zinc/84/61/74/1398846174.db2.gz KNXKTCHMFRNWOD-CQSZACIVSA-N -1 0 397.427 3.330 50 0 biogenic GGAARM Cc1oc2cc3oc(=O)c(CC(=O)N4CCC[C@@H](C(=O)[O-])C4)c(C)c3cc2c1C ZINC000008764355 1398846313 /nfs/dbraw/zinc/84/63/13/1398846313.db2.gz QADHZFBIOZXPRB-CQSZACIVSA-N -1 0 397.427 3.330 50 0 biogenic GGAARM CCC(Nc1ccc(N(C)C)cc1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000008997165 1398851516 /nfs/dbraw/zinc/85/15/16/1398851516.db2.gz QGTHUJHHPQRXNP-VHEBQXMUSA-N -1 0 392.459 3.107 50 0 GGAARM CCc1ccc(N2C(=O)[N-]C(=O)[C@]3(Cc4cc(C)ccc4N(C)C3)C2=O)cc1 ZINC000009015683 1398851948 /nfs/dbraw/zinc/85/19/48/1398851948.db2.gz MMRGJLXCPOPKPD-JOCHJYFZSA-N -1 0 377.444 3.024 50 0 GGAARM COC(=O)[C@]([N-]c1nc2ccc(C(C)C)cc2s1)(NC(C)=O)C(F)(F)F ZINC000009012919 1398852126 /nfs/dbraw/zinc/85/21/26/1398852126.db2.gz ICORAWOTXYMUIN-OAHLLOKOSA-N -1 0 389.399 3.399 50 0 GGAARM CCc1nc2sc([C@@H](c3ccc(CC)cc3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022578098 1399479298 /nfs/dbraw/zinc/47/92/98/1399479298.db2.gz GRBPFWJRVJTOBD-GOSISDBHSA-N -1 0 399.564 3.348 50 0 GGAARM CCc1nc2sc([C@@H](c3cccc(C)c3)N3CCN(CC)CC3)c([O-])n2n1 ZINC000022578068 1399479363 /nfs/dbraw/zinc/47/93/63/1399479363.db2.gz QTTWRAINKSGMFW-QGZVFWFLSA-N -1 0 385.537 3.094 50 0 GGAARM [O-]c1c([C@H](c2cccs2)N2CCN(c3ccccc3)CC2)sc2ncnn12 ZINC000022610184 1399482287 /nfs/dbraw/zinc/48/22/87/1399482287.db2.gz CYRXMHKMPVFLBA-INIZCTEOSA-N -1 0 397.529 3.470 50 0 GGAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@H](C(F)(F)F)CC(=O)N3)c(OC)c1 ZINC000066089455 1408781654 /nfs/dbraw/zinc/78/16/54/1408781654.db2.gz HHPVZKQORMJOHP-SNVBAGLBSA-N -1 0 384.310 3.181 50 0 GGAARM CC#CC[C@H](C)[C@@H](O)/C=C/[C@H]1[C@@H]2c3cccc(CCCC(=O)[O-])c3O[C@@H]2C[C@@H]1O ZINC000066148131 1408785201 /nfs/dbraw/zinc/78/52/01/1408785201.db2.gz CTPOHARTNNSRSR-HYHXDULOSA-N -1 0 398.499 3.286 50 0 GGAARM Cc1nn(-c2ccc(C(=O)[O-])cc2)c2c1[C@H](c1cnn(C)c1)SCC(=O)N2 ZINC000079483225 1409976840 /nfs/dbraw/zinc/97/68/40/1409976840.db2.gz USGTZPVOTHOVJZ-INIZCTEOSA-N -1 0 383.433 3.037 50 0 GGAARM COC(=O)c1[n-]c(=NC(=O)c2n[nH]c3c2CCc2ccccc2-3)sc1C(C)C ZINC000095474537 1410313730 /nfs/dbraw/zinc/31/37/30/1410313730.db2.gz MOYUDAUUQAZSRS-UHFFFAOYSA-N -1 0 396.472 3.216 50 0 GGAARM Cc1nn(C)c(C)c1[C@H]1SCC(=O)Nc2c1cnn2-c1ccc(C(=O)[O-])cc1 ZINC000095474831 1410313800 /nfs/dbraw/zinc/31/38/00/1410313800.db2.gz ZJNDDUVVEULFSP-KRWDZBQOSA-N -1 0 397.460 3.345 50 0 GGAARM Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)[O-])nc2c3cccnc3nn21 ZINC000095480154 1410314679 /nfs/dbraw/zinc/31/46/79/1410314679.db2.gz BGRYMDCOPCICEU-UHFFFAOYSA-N -1 0 384.399 3.445 50 0 GGAARM COc1ccc(CSCC(=O)[O-])cc1OS(=O)(=O)c1ccc(C)cc1 ZINC000140306110 1417497927 /nfs/dbraw/zinc/49/79/27/1417497927.db2.gz RVBZKOQAMQFCRT-UHFFFAOYSA-N -1 0 382.459 3.089 50 0 GGAARM O=C(Nc1nnn[n-]1)c1cc(-c2ccccc2)nc2ccc(Br)cc21 ZINC000002772901 1423912836 /nfs/dbraw/zinc/91/28/36/1423912836.db2.gz BPMYHUODOQUDDV-UHFFFAOYSA-N -1 0 395.220 3.430 50 0 GGAARM CC[C@@H](C)[C@@H](NC(=O)CCn1ccc2cc(Br)ccc21)C(=O)[O-] ZINC000206213440 1433353441 /nfs/dbraw/zinc/35/34/41/1433353441.db2.gz WFUFRDLDHGCTPI-BDJLRTHQSA-N -1 0 381.270 3.409 50 0 GGAARM COc1ccc(-c2nc(C)c(C(=O)N[C@H](CCSC)C(=O)[O-])s2)cc1 ZINC000206414697 1433353737 /nfs/dbraw/zinc/35/37/37/1433353737.db2.gz HGSKSAXSGDSINM-CYBMUJFWSA-N -1 0 380.491 3.063 50 0 GGAARM CSCC[C@@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc21)C(=O)[O-] ZINC000206414644 1433353783 /nfs/dbraw/zinc/35/37/83/1433353783.db2.gz SHNRCSJIUFQKJY-QGZVFWFLSA-N -1 0 381.457 3.233 50 0 GGAARM