smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(CNC(=O)CN2Cc3ccccc3C2)c2cccnc12 ZINC000217063758 241236224 /nfs/dbraw/zinc/23/62/24/241236224.db2.gz QBSXMDXWERRXID-UHFFFAOYSA-N 0 0 331.419 3.175 50 70 EGIARN CO[C@@H]1COCC[C@H]1NC(=O)CC(c1ccccc1)c1ccccc1 ZINC000218439727 241321476 /nfs/dbraw/zinc/32/14/76/241321476.db2.gz BHKCYDLRDMNKFJ-WOJBJXKFSA-N 0 0 339.435 3.129 50 70 EGIARN Cc1cc2nc(CN(C)C(=O)[C@H](O)C3CCCCC3)[nH]c2cc1C ZINC000217903395 241283524 /nfs/dbraw/zinc/28/35/24/241283524.db2.gz VHYNRMSPGOWAFK-GOSISDBHSA-N 0 0 329.444 3.079 50 70 EGIARN C[C@](O)(CNC(=O)COc1ccccc1)c1cc2ccccc2s1 ZINC000217499253 241251973 /nfs/dbraw/zinc/25/19/73/241251973.db2.gz IBUGXAMECCPQTI-IBGZPJMESA-N 0 0 341.432 3.304 50 70 EGIARN O=C(NCC[C@H](O)c1ccsc1)c1ccccc1Br ZINC000217532219 241256712 /nfs/dbraw/zinc/25/67/12/241256712.db2.gz JVAWQYZJRRZUOL-ZDUSSCGKSA-N 0 0 340.242 3.364 50 70 EGIARN Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1nnc(C(C)C)[nH]1 ZINC000218176696 241303748 /nfs/dbraw/zinc/30/37/48/241303748.db2.gz RRLRWLMMBBVFLN-UHFFFAOYSA-N 0 0 338.415 3.042 50 70 EGIARN Cc1nn(C)c(C)c1C(=O)N1CCCC[C@@H]1CCc1ccccn1 ZINC000218248117 241307218 /nfs/dbraw/zinc/30/72/18/241307218.db2.gz NQYFPUMRXSHANT-QGZVFWFLSA-N 0 0 326.444 3.059 50 70 EGIARN Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(C)CCCc1nccn1C ZINC000218730113 241341671 /nfs/dbraw/zinc/34/16/71/241341671.db2.gz OEKUCNOKGALEQM-CQSZACIVSA-N 0 0 349.862 3.240 50 70 EGIARN Cc1ccc(Cl)c(CN2CCCn3nc([C@H](C)O)cc3C2)c1F ZINC000216924922 241223186 /nfs/dbraw/zinc/22/31/86/241223186.db2.gz GSYXHVZRTHWOTO-LBPRGKRZSA-N 0 0 337.826 3.443 50 70 EGIARN O=C(c1cccc(-n2cnnn2)c1)N1CCCC[C@H](c2ccccc2)C1 ZINC000217489951 241253064 /nfs/dbraw/zinc/25/30/64/241253064.db2.gz PITSCZRGNRYTHX-SFHVURJKSA-N 0 0 347.422 3.072 50 70 EGIARN O=C(NCC[C@@H](O)c1ccsc1)c1cc(-c2ccccc2)on1 ZINC000217531113 241255571 /nfs/dbraw/zinc/25/55/71/241255571.db2.gz REXPPEYIXZHEJB-OAHLLOKOSA-N 0 0 328.393 3.257 50 70 EGIARN Cc1csc(-c2cccc(CNC(=O)[C@H]3CC(=O)OC3(C)C)c2)n1 ZINC000218524053 241328562 /nfs/dbraw/zinc/32/85/62/241328562.db2.gz AOHGULURVJRDMG-CQSZACIVSA-N 0 0 344.436 3.076 50 70 EGIARN Cc1noc(C)c1C(=O)N[C@H](c1nc2ccccc2n1C)C(C)C ZINC000218206666 241306420 /nfs/dbraw/zinc/30/64/20/241306420.db2.gz XXDCFURSCLCGOT-INIZCTEOSA-N 0 0 326.400 3.305 50 70 EGIARN CCn1nc(CNC(=O)c2cc(=O)c3ccccc3o2)c2ccccc21 ZINC000218294264 241313630 /nfs/dbraw/zinc/31/36/30/241313630.db2.gz FJLSNZIBFORHHM-UHFFFAOYSA-N 0 0 347.374 3.093 50 70 EGIARN Cc1ccc(C(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)cc1 ZINC000218670038 241337655 /nfs/dbraw/zinc/33/76/55/241337655.db2.gz VFLGDAMWFGMIEJ-AFMYVXGZSA-N 0 0 337.419 3.172 50 70 EGIARN CC(C)(NC(=O)c1cccs1)C(=O)NCc1cc2ccccc2[nH]1 ZINC000217177270 535244065 /nfs/dbraw/zinc/24/40/65/535244065.db2.gz PPWLMLVHTYGENE-UHFFFAOYSA-N 0 0 341.436 3.054 50 70 EGIARN COc1cccc(-c2ccc(C(=O)N(C)Cc3noc(C)n3)cc2)c1 ZINC000218694284 537064139 /nfs/dbraw/zinc/06/41/39/537064139.db2.gz ZSWKHLFUFDVSJI-UHFFFAOYSA-N 0 0 337.379 3.326 50 70 EGIARN COc1ccccc1NC(=O)NCCn1ccc(-c2ccsc2)n1 ZINC000217890037 537084882 /nfs/dbraw/zinc/08/48/82/537084882.db2.gz VBQBUSMTJGZWHR-UHFFFAOYSA-N 0 0 342.424 3.442 50 70 EGIARN O=C(/C=C/c1cccs1)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000217670940 241266839 /nfs/dbraw/zinc/26/68/39/241266839.db2.gz JSTWILWTOWWYDJ-CMDGGOBGSA-N 0 0 336.420 3.103 50 70 EGIARN O=C(CCSc1ccccc1)NCCSC1CCOCC1 ZINC000217701380 241271236 /nfs/dbraw/zinc/27/12/36/241271236.db2.gz PQSJEHLNFDIIKA-UHFFFAOYSA-N 0 0 325.499 3.197 50 70 EGIARN CSc1nc(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cs1 ZINC000216976056 241229370 /nfs/dbraw/zinc/22/93/70/241229370.db2.gz SJEDGFZSRFURTI-VIFPVBQESA-N 0 0 336.438 3.127 50 70 EGIARN Cc1cc(CN(C)C(=O)CSc2ncnc3sc(C)cc32)on1 ZINC000217183049 241238060 /nfs/dbraw/zinc/23/80/60/241238060.db2.gz JQWNSGWBOFVBKQ-UHFFFAOYSA-N 0 0 348.453 3.047 50 70 EGIARN CSc1ccc(CC(=O)NCc2ccc3[nH]c(C)nc3c2)cc1 ZINC000217528054 241255475 /nfs/dbraw/zinc/25/54/75/241255475.db2.gz AFGAWWAKRYAZLQ-UHFFFAOYSA-N 0 0 325.437 3.452 50 70 EGIARN C[C@](O)(CNC(=O)c1ccc(F)c(F)c1)c1cc2ccccc2o1 ZINC000217985910 241289769 /nfs/dbraw/zinc/28/97/69/241289769.db2.gz RKOORGVJPPLLEA-SFHVURJKSA-N 0 0 331.318 3.349 50 70 EGIARN O=C(CC1(n2cccc2)CCOCC1)Nc1ccc(F)c(F)c1F ZINC000218311276 241313651 /nfs/dbraw/zinc/31/36/51/241313651.db2.gz PSESGVTXYBYOEH-UHFFFAOYSA-N 0 0 338.329 3.440 50 70 EGIARN CSCC[C@H](NC(=O)c1cccnc1)c1nc2ccccc2n1C ZINC000218346904 241314845 /nfs/dbraw/zinc/31/48/45/241314845.db2.gz HSQNGZBWCCIDCE-HNNXBMFYSA-N 0 0 340.452 3.193 50 70 EGIARN Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1cccc2c1OCCO2 ZINC000218517374 293423912 /nfs/dbraw/zinc/42/39/12/293423912.db2.gz OHRPROBLXDQDRX-LBPRGKRZSA-N 0 0 330.409 3.030 50 70 EGIARN O=C(/C=C/c1ccccc1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217655291 241264307 /nfs/dbraw/zinc/26/43/07/241264307.db2.gz AGKXJDBTCLPYOW-TZZQJPOUSA-N 0 0 344.418 3.432 50 70 EGIARN CSc1ccc(CCC(=O)NCCSC2CCOCC2)cc1 ZINC000217703908 241270337 /nfs/dbraw/zinc/27/03/37/241270337.db2.gz YAIZPFRANYOPHA-UHFFFAOYSA-N 0 0 339.526 3.370 50 70 EGIARN CCOCCOc1cccc(C(=O)N[C@@H](C)c2nc(C)cs2)c1 ZINC000217051256 241233433 /nfs/dbraw/zinc/23/34/33/241233433.db2.gz SYALJULXSIPWGJ-ZDUSSCGKSA-N 0 0 334.441 3.358 50 70 EGIARN O=C(CCCCc1ccccc1)N[C@H]1CCOC2(CCOCC2)C1 ZINC000217113573 241235432 /nfs/dbraw/zinc/23/54/32/241235432.db2.gz UBRHCSVIVOPVGI-SFHVURJKSA-N 0 0 331.456 3.244 50 70 EGIARN Cc1c2cc(C)ccc2oc1CN1CCn2nc([C@H](C)O)cc2C1 ZINC000217111391 241235484 /nfs/dbraw/zinc/23/54/84/241235484.db2.gz LHFUWLFMWCINRS-AWEZNQCLSA-N 0 0 325.412 3.315 50 70 EGIARN Cc1c2cc(C)ccc2oc1CN1CCn2nc([C@@H](C)O)cc2C1 ZINC000217111369 241235695 /nfs/dbraw/zinc/23/56/95/241235695.db2.gz LHFUWLFMWCINRS-CQSZACIVSA-N 0 0 325.412 3.315 50 70 EGIARN Cc1[nH]c2ccccc2c1CCNC(=O)COCC(F)(F)C(F)F ZINC000217830202 241276512 /nfs/dbraw/zinc/27/65/12/241276512.db2.gz VWKLCVXAVWEWGV-UHFFFAOYSA-N 0 0 346.324 3.052 50 70 EGIARN Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1c(C)nc2ccccn21 ZINC000218423172 241321958 /nfs/dbraw/zinc/32/19/58/241321958.db2.gz HDEYUODCTGXHMF-LBPRGKRZSA-N 0 0 326.425 3.215 50 70 EGIARN Cc1n[nH]c(C)c1CCNC(=O)CSCc1ccccc1Cl ZINC000217938768 241286075 /nfs/dbraw/zinc/28/60/75/241286075.db2.gz UFAFBMKPBZDFKR-UHFFFAOYSA-N 0 0 337.876 3.272 50 70 EGIARN CCOc1ccccc1C(=O)NC[C@](C)(O)c1cc2ccccc2o1 ZINC000217986388 241289395 /nfs/dbraw/zinc/28/93/95/241289395.db2.gz OUVHNILKJVIRRM-FQEVSTJZSA-N 0 0 339.391 3.469 50 70 EGIARN C[C@H](NC(=O)CSc1ccccn1)c1ccccc1-n1cccn1 ZINC000218111558 241298726 /nfs/dbraw/zinc/29/87/26/241298726.db2.gz RYCSVFZZIVJLCG-AWEZNQCLSA-N 0 0 338.436 3.237 50 70 EGIARN c1ccc(CO[C@@H]2CCOC[C@H]2Nc2ccc3ccccc3n2)nc1 ZINC000218132112 241299952 /nfs/dbraw/zinc/29/99/52/241299952.db2.gz KYJLTPKQWXXTKQ-RTBURBONSA-N 0 0 335.407 3.416 50 70 EGIARN O=C(CSc1ncccn1)NCC1(c2ccccc2F)CCCC1 ZINC000218312986 241312666 /nfs/dbraw/zinc/31/26/66/241312666.db2.gz LZAFQJICKKSFCB-UHFFFAOYSA-N 0 0 345.443 3.336 50 70 EGIARN COc1ccc([C@@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)c(F)c1 ZINC000218264752 286360274 /nfs/dbraw/zinc/36/02/74/286360274.db2.gz OUENMDRZGCBESJ-ZDUSSCGKSA-N 0 0 340.306 3.382 50 70 EGIARN COc1ccc([C@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)c(OC)c1 ZINC000217627101 286377247 /nfs/dbraw/zinc/37/72/47/286377247.db2.gz LLNUURQWLWCGFN-CQSZACIVSA-N 0 0 342.347 3.053 50 70 biogenic EGIARN Cc1nc2sc([C@H](c3ccsc3)[NH+]3CCCCC3)c([O-])n2n1 ZINC000218472276 547240803 /nfs/dbraw/zinc/24/08/03/547240803.db2.gz ZTOHGKLXECVECX-LBPRGKRZSA-N 0 0 334.470 3.442 50 70 EGIARN CC[C@@H](NC(=O)c1cc2ccccc2n1C)c1cn2cccnc2n1 ZINC000216966461 241230175 /nfs/dbraw/zinc/23/01/75/241230175.db2.gz ANPNZBKXOCVWDD-CQSZACIVSA-N 0 0 333.395 3.102 50 70 EGIARN O=C(NCc1cccs1)C(=O)NCC1(c2ccsc2)CCCC1 ZINC000217485122 241253040 /nfs/dbraw/zinc/25/30/40/241253040.db2.gz JAOPKQADDBXYIV-UHFFFAOYSA-N 0 0 348.493 3.054 50 70 EGIARN COc1cc(OC)cc(C(=O)N[C@@H]2[C@@H](C3CCCC3)[C@H]3OCC[C@@H]23)c1 ZINC000218403697 241319292 /nfs/dbraw/zinc/31/92/92/241319292.db2.gz RHZBYZGBLBFCHJ-RDGPPVDQSA-N 0 0 345.439 3.027 50 70 EGIARN O=C(NC1CCCC1)c1cc(=O)c(OCc2cccc(Cl)c2)c[nH]1 ZINC000218398772 241319364 /nfs/dbraw/zinc/31/93/64/241319364.db2.gz VBLPEJAOJPEFTQ-UHFFFAOYSA-N 0 0 346.814 3.280 50 70 EGIARN O=C(NCCn1ccnc1-c1ccccn1)c1cc2ccccc2o1 ZINC000217860392 241278309 /nfs/dbraw/zinc/27/83/09/241278309.db2.gz AHZPCNMNNYXJLH-UHFFFAOYSA-N 0 0 332.363 3.121 50 70 EGIARN Cc1cnccc1C(=O)N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000218595599 241332643 /nfs/dbraw/zinc/33/26/43/241332643.db2.gz ZKPMNDKOPPJUGU-MKJPBZQASA-N 0 0 347.418 3.180 50 70 EGIARN O=C(NCc1[nH]nc2c1CCC2)c1cccc2c3c([nH]c21)CCCC3 ZINC000218736035 241340675 /nfs/dbraw/zinc/34/06/75/241340675.db2.gz AUZIMXRVVNIWDN-UHFFFAOYSA-N 0 0 334.423 3.189 50 70 EGIARN O=C(NCc1ccc2ccccc2n1)[C@@H](O)c1ccccc1Cl ZINC000217078310 241235423 /nfs/dbraw/zinc/23/54/23/241235423.db2.gz LWYUHUWNBYZYJH-KRWDZBQOSA-N 0 0 326.783 3.238 50 70 EGIARN CC(C)[C@@H](CO)NC(=O)c1c[nH]nc1-c1ccc(Cl)cc1Cl ZINC000218398882 241319320 /nfs/dbraw/zinc/31/93/20/241319320.db2.gz GEHYJDUIYAKJGW-CYBMUJFWSA-N 0 0 342.226 3.130 50 70 EGIARN CSc1ccc(/C=C/C(=O)NCC[C@H](O)c2cccn2C)cc1 ZINC000217940052 241286307 /nfs/dbraw/zinc/28/63/07/241286307.db2.gz CTHOBYAESVQARB-JEJOPICUSA-N 0 0 330.453 3.000 50 70 EGIARN Cc1c[nH]c(Cc2nn3c(nnc3-c3cccc(Cl)c3F)s2)n1 ZINC000218383975 241317148 /nfs/dbraw/zinc/31/71/48/241317148.db2.gz KPFCFIFOJUWUHZ-UHFFFAOYSA-N 0 0 348.794 3.268 50 70 EGIARN CSc1nc(C(=O)N[C@@H](Cn2cccn2)c2ccccc2)cs1 ZINC000218707927 241338947 /nfs/dbraw/zinc/33/89/47/241338947.db2.gz LJDCYPVQUPFTQR-ZDUSSCGKSA-N 0 0 344.465 3.233 50 70 EGIARN O=C(/C=C/c1ccco1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217654246 241264703 /nfs/dbraw/zinc/26/47/03/241264703.db2.gz YHNCRJWPRURINK-ROJDOSBLSA-N 0 0 334.379 3.025 50 70 EGIARN O=C(c1cc(=O)[nH]c2ccc(F)cc21)N1CCC[C@@H]1c1ccccn1 ZINC000217174265 241239452 /nfs/dbraw/zinc/23/94/52/241239452.db2.gz IJDHEDAPSFWNIV-QGZVFWFLSA-N 0 0 337.354 3.040 50 70 EGIARN CN(CCO)c1ccc(C(=O)N2CC[C@H](C3CCCCC3)C2)cc1 ZINC000217468009 241253569 /nfs/dbraw/zinc/25/35/69/241253569.db2.gz DECVVKFNACYVQN-SFHVURJKSA-N 0 0 330.472 3.158 50 70 EGIARN O=C(c1ccn(C(F)F)n1)N1CCCC[C@H]1CCc1ccccn1 ZINC000218387656 241319616 /nfs/dbraw/zinc/31/96/16/241319616.db2.gz QBULFAMHHRHLHW-AWEZNQCLSA-N 0 0 334.370 3.301 50 70 EGIARN C[C@@](O)(CNC(=O)Cc1ccc(F)cc1)c1cc2ccccc2o1 ZINC000217985031 241288585 /nfs/dbraw/zinc/28/85/85/241288585.db2.gz SYUWCGKKFYNECD-LJQANCHMSA-N 0 0 327.355 3.138 50 70 EGIARN CC[C@H](NC(=O)c1ncc(F)cc1F)c1nc2cc(C)ccc2[nH]1 ZINC000218067121 241295600 /nfs/dbraw/zinc/29/56/00/241295600.db2.gz HMCBZXFTOKDGTP-LBPRGKRZSA-N 0 0 330.338 3.426 50 70 EGIARN Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NC2CCCC2)n1 ZINC000218356329 241315927 /nfs/dbraw/zinc/31/59/27/241315927.db2.gz VULJEYDCIZTYER-SFHVURJKSA-N 0 0 338.455 3.175 50 70 EGIARN CC(C)c1cc(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)cs1 ZINC000218362307 535348962 /nfs/dbraw/zinc/34/89/62/535348962.db2.gz ZKSCLPXDPYSZIA-MRXNPFEDSA-N 0 0 347.484 3.191 50 70 EGIARN COc1cccc2c(O)c(C(=O)N3CCc4ccccc4C3)cnc12 ZINC000217607659 536933901 /nfs/dbraw/zinc/93/39/01/536933901.db2.gz LBDJBLFUNKWYDJ-UHFFFAOYSA-N 0 0 334.375 3.148 50 70 biogenic EGIARN CCOc1ccc(C(=O)N2CCCOc3c(cccc3OC)C2)o1 ZINC000217173384 241238996 /nfs/dbraw/zinc/23/89/96/241238996.db2.gz QCZGFIQRAXVOSZ-UHFFFAOYSA-N 0 0 331.368 3.112 50 70 EGIARN Cc1noc(C)c1C(=O)NC[C@](C)(O)c1cc2ccccc2s1 ZINC000217509252 241255190 /nfs/dbraw/zinc/25/51/90/241255190.db2.gz VTADHAHIKRVPPN-KRWDZBQOSA-N 0 0 330.409 3.144 50 70 EGIARN CCOCCOc1ccccc1C(=O)N(C)[C@@H](C)c1c(C)n[nH]c1C ZINC000217502156 241255286 /nfs/dbraw/zinc/25/52/86/241255286.db2.gz RATFQQZGTFBPAR-HNNXBMFYSA-N 0 0 345.443 3.275 50 70 EGIARN Cc1csc(-c2cccc(CNC(=O)[C@@H]3CC(=O)OC3(C)C)c2)n1 ZINC000218524128 241328244 /nfs/dbraw/zinc/32/82/44/241328244.db2.gz AOHGULURVJRDMG-AWEZNQCLSA-N 0 0 344.436 3.076 50 70 EGIARN CCCC[C@H](NC(=O)CC1=CSC2=NCCN12)c1cccnc1 ZINC000218043616 241294470 /nfs/dbraw/zinc/29/44/70/241294470.db2.gz YFOGJXOURYGCQX-HNNXBMFYSA-N 0 0 330.457 3.079 50 70 EGIARN CC(C)c1nccn1[C@H](C)C(=O)NCc1ccc2c(c1)CCCO2 ZINC000218293280 241312722 /nfs/dbraw/zinc/31/27/22/241312722.db2.gz PRHXDCAWKGMIQQ-CQSZACIVSA-N 0 0 327.428 3.209 50 70 EGIARN O=C(CCSCc1ccccc1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000218573057 241333291 /nfs/dbraw/zinc/33/32/91/241333291.db2.gz LWWAACSQCJVQNI-INIZCTEOSA-N 0 0 329.469 3.439 50 70 EGIARN CO[C@@H]1CCOC[C@H]1NC(=O)c1cccc(Oc2ccccc2)c1 ZINC000218639815 241337252 /nfs/dbraw/zinc/33/72/52/241337252.db2.gz LTRGOZCKTJZSJE-QZTJIDSGSA-N 0 0 327.380 3.013 50 70 EGIARN C[C@H](Cc1cnccn1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000218738329 241341165 /nfs/dbraw/zinc/34/11/65/241341165.db2.gz GYMITHKUASPNBE-MRXNPFEDSA-N 0 0 331.419 3.356 50 70 EGIARN CC[C@@H](NC(=O)c1cn(C)c2ccc(C)cc2c1=O)c1cccnc1 ZINC000218741486 535801474 /nfs/dbraw/zinc/80/14/74/535801474.db2.gz VTTLLPVOQXCRTK-QGZVFWFLSA-N 0 0 335.407 3.123 50 70 EGIARN COC(=O)CS[C@@H]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000217565874 241258765 /nfs/dbraw/zinc/25/87/65/241258765.db2.gz NHDYRWAIMOIHLI-OAHLLOKOSA-N 0 0 335.469 3.105 50 70 EGIARN Cn1cc(C(=O)NCCc2noc(C3CCCC3)n2)c2ccccc21 ZINC000217793058 241274447 /nfs/dbraw/zinc/27/44/47/241274447.db2.gz AUOBSKDQBYIDED-UHFFFAOYSA-N 0 0 338.411 3.191 50 70 EGIARN O=C(NC[C@H]1OCCc2ccccc21)c1ccccc1N1CCCC1 ZINC000217190224 241242396 /nfs/dbraw/zinc/24/23/96/241242396.db2.gz AODMEEPXZSBMAH-HXUWFJFHSA-N 0 0 336.435 3.331 50 70 EGIARN Cc1ccn2cc(CNC(=O)c3cc(-c4ccsc4)n[nH]3)nc2c1 ZINC000217528859 241254602 /nfs/dbraw/zinc/25/46/02/241254602.db2.gz RCCKHVIRCHJZCB-UHFFFAOYSA-N 0 0 337.408 3.024 50 70 EGIARN O=C(c1ccn(C(F)F)n1)N1CCCC[C@@H]1CCc1ccccn1 ZINC000218387584 241319447 /nfs/dbraw/zinc/31/94/47/241319447.db2.gz QBULFAMHHRHLHW-CQSZACIVSA-N 0 0 334.370 3.301 50 70 EGIARN COc1cccc([C@H]2CCCN2C(=O)COCC(F)(F)C(F)F)c1 ZINC000218399437 241320139 /nfs/dbraw/zinc/32/01/39/241320139.db2.gz JASSONXFRMPTLD-CYBMUJFWSA-N 0 0 349.324 3.276 50 70 EGIARN O=C(NCCn1ccnc1-c1ccccn1)Nc1cccc(Cl)c1 ZINC000217862460 241279225 /nfs/dbraw/zinc/27/92/25/241279225.db2.gz KSEHFTKJYRLZFD-UHFFFAOYSA-N 0 0 341.802 3.420 50 70 EGIARN Cc1csc(NC(=O)CCC(=O)Nc2ccc3cc[nH]c3c2)n1 ZINC000218274725 241310722 /nfs/dbraw/zinc/31/07/22/241310722.db2.gz KHXRJYHBKFNHSA-UHFFFAOYSA-N 0 0 328.397 3.290 50 70 EGIARN CC(=O)c1ccc(C(=O)NCc2cc(-c3ccccc3)n[nH]2)s1 ZINC000218341128 534833133 /nfs/dbraw/zinc/83/31/33/534833133.db2.gz MVPFHDYARBMZEW-UHFFFAOYSA-N 0 0 325.393 3.271 50 70 EGIARN O=C(c1cc2ccccc2[nH]1)N1CCC[C@@]2(C1)OC(=O)c1ccccc12 ZINC000217586480 241261604 /nfs/dbraw/zinc/26/16/04/241261604.db2.gz UMOBCAACLHCLGT-NRFANRHFSA-N 0 0 346.386 3.470 50 70 EGIARN CN(CCc1ccncc1)C(=O)CCC(=O)NC1CCCCCCC1 ZINC000217081098 241235765 /nfs/dbraw/zinc/23/57/65/241235765.db2.gz CXSUIGDWQRABGX-UHFFFAOYSA-N 0 0 345.487 3.092 50 70 EGIARN C[C@@](O)(CNC(=O)c1cc(C2CC2)on1)c1cc2ccccc2s1 ZINC000217506451 241254592 /nfs/dbraw/zinc/25/45/92/241254592.db2.gz SEWUHJIBSSVIKY-GOSISDBHSA-N 0 0 342.420 3.404 50 70 EGIARN CCc1c(C)nn(CCNC(=O)Cc2c(F)cccc2Cl)c1C ZINC000218273554 241311026 /nfs/dbraw/zinc/31/10/26/241311026.db2.gz VHGYTBQXAOAZMP-UHFFFAOYSA-N 0 0 337.826 3.214 50 70 EGIARN COc1cccc(CC(=O)NC[C@@](C)(O)c2cc3ccccc3o2)c1 ZINC000217986565 537103790 /nfs/dbraw/zinc/10/37/90/537103790.db2.gz AKCHIAHPCROYBD-HXUWFJFHSA-N 0 0 339.391 3.008 50 70 EGIARN O=C(COc1ncnc2ccccc21)N1CCCC[C@H]1c1ccccn1 ZINC000217213819 241242697 /nfs/dbraw/zinc/24/26/97/241242697.db2.gz MYTVLTPPXQWDQB-SFHVURJKSA-N 0 0 348.406 3.157 50 70 EGIARN O=C(c1cccc(-n2cnnn2)c1)N1CCCC[C@@H](c2ccccc2)C1 ZINC000217489870 241252647 /nfs/dbraw/zinc/25/26/47/241252647.db2.gz PITSCZRGNRYTHX-GOSISDBHSA-N 0 0 347.422 3.072 50 70 EGIARN Cc1cccc(OC[C@H]2CCCN(C(=O)c3cc(=O)cc(C)o3)C2)c1 ZINC000217916504 241283386 /nfs/dbraw/zinc/28/33/86/241283386.db2.gz ZIZPRFGHTVADOM-INIZCTEOSA-N 0 0 341.407 3.188 50 70 EGIARN CC(C)n1ccc2cc(C(=O)NCCc3nnc4ccccn43)ccc21 ZINC000218160123 241301449 /nfs/dbraw/zinc/30/14/49/241301449.db2.gz KZWSCJDFAHAGNY-UHFFFAOYSA-N 0 0 347.422 3.237 50 70 EGIARN Cc1cc([C@@H]2CCCCN2C(=O)CN2CCc3ccccc3C2)no1 ZINC000218200323 456034623 /nfs/dbraw/zinc/03/46/23/456034623.db2.gz XGFPFBRAHFSFQI-IBGZPJMESA-N 0 0 339.439 3.095 50 70 EGIARN O=C(NC(c1ccccc1)c1ccccc1)N1CC[C@@H](n2ccnn2)C1 ZINC000217688739 241268469 /nfs/dbraw/zinc/26/84/69/241268469.db2.gz DNORGPRBXJWOAP-GOSISDBHSA-N 0 0 347.422 3.024 50 70 EGIARN CC(C)c1nnc(NC(=O)c2cn(C(C)C)c(=O)c3ccccc23)[nH]1 ZINC000218197176 241306197 /nfs/dbraw/zinc/30/61/97/241306197.db2.gz UNNMFZXJCQXEPN-UHFFFAOYSA-N 0 0 339.399 3.076 50 70 EGIARN CC(=O)c1ccc2c(c1O)[C@@H](C1=Cc3ccccc3OC1)CC(=O)O2 ZINC000217863006 275806518 /nfs/dbraw/zinc/80/65/18/275806518.db2.gz CLGBQHYORSZTKU-OAHLLOKOSA-N 0 0 336.343 3.464 50 70 biogenic EGIARN CCCCc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2C)cc1 ZINC000218382468 535092578 /nfs/dbraw/zinc/09/25/78/535092578.db2.gz ICXQAHUPUAIELK-UHFFFAOYSA-N 0 0 328.412 3.147 50 70 EGIARN COc1ccc(Cn2nc(-c3ccncc3)nc2C(C)(C)OC)cc1 ZINC000217183758 536589849 /nfs/dbraw/zinc/58/98/49/536589849.db2.gz HHWFAZCDVVIESY-UHFFFAOYSA-N 0 0 338.411 3.279 50 70 EGIARN O=C(NCc1cnc2ccccc2c1)[C@@H](O)c1ccc(Cl)cc1 ZINC000217707813 241270109 /nfs/dbraw/zinc/27/01/09/241270109.db2.gz URGCALFEFMBPST-KRWDZBQOSA-N 0 0 326.783 3.238 50 70 EGIARN Cc1ccc(Cl)c(CN2CCCn3nc([C@@H](C)O)cc3C2)c1F ZINC000216924898 241222352 /nfs/dbraw/zinc/22/23/52/241222352.db2.gz GSYXHVZRTHWOTO-GFCCVEGCSA-N 0 0 337.826 3.443 50 70 EGIARN COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)c1ccccc1Cl ZINC000218006490 241289669 /nfs/dbraw/zinc/28/96/69/241289669.db2.gz WZYLKRNMKAKCAE-IBGZPJMESA-N 0 0 345.826 3.303 50 70 EGIARN CC(=O)c1cc(C(=O)N[C@@H]2[C@@H](C3CCCC3)[C@H]3OCC[C@@H]23)cs1 ZINC000218562823 241330233 /nfs/dbraw/zinc/33/02/33/241330233.db2.gz NVKQWYDVEQVCIH-ORQFMDKSSA-N 0 0 333.453 3.274 50 70 EGIARN O=C(Cc1c[nH]c2ccccc12)NCc1nc(C2CCCCC2)no1 ZINC000218342573 241315514 /nfs/dbraw/zinc/31/55/14/241315514.db2.gz WCPHSXXVZZVCQP-UHFFFAOYSA-N 0 0 338.411 3.458 50 70 EGIARN COc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccc(C)nc2)cc1 ZINC000218560863 536672139 /nfs/dbraw/zinc/67/21/39/536672139.db2.gz MXECTXJBDIZHQP-AWEZNQCLSA-N 0 0 326.396 3.239 50 70 EGIARN Cc1nc2cc(CNC(=O)c3ccccc3N3CCCC3)ccc2n1C ZINC000217041174 241234241 /nfs/dbraw/zinc/23/42/41/241234241.db2.gz GXHXMZKRNHDONM-UHFFFAOYSA-N 0 0 348.450 3.412 50 70 EGIARN O=C(N[C@@H]1C[C@@H]2OCC[C@H]12)c1ccc(OCc2ccccc2F)cc1 ZINC000217456359 241250484 /nfs/dbraw/zinc/25/04/84/241250484.db2.gz ZSUYTHTUTHUTJE-QRQLOZEOSA-N 0 0 341.382 3.312 50 70 EGIARN O=C(NCc1nnc2n1CCCCC2)c1cccc(-c2ccco2)c1 ZINC000218526770 241328732 /nfs/dbraw/zinc/32/87/32/241328732.db2.gz OSSCXKXZKFTKLD-UHFFFAOYSA-N 0 0 336.395 3.195 50 70 EGIARN CC[C@@H](O)c1cc2n(n1)CCN(Cc1cccc3c(C)c(C)[nH]c31)C2 ZINC000217865706 241279670 /nfs/dbraw/zinc/27/96/70/241279670.db2.gz QMRONSSIRASKOV-LJQANCHMSA-N 0 0 338.455 3.440 50 70 EGIARN Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)Cc1cc[nH]n1 ZINC000218101319 241297171 /nfs/dbraw/zinc/29/71/71/241297171.db2.gz QPRAYSFTNQILDS-UHFFFAOYSA-N 0 0 330.775 3.299 50 70 EGIARN Cc1ccc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)cc1 ZINC000218669955 241337059 /nfs/dbraw/zinc/33/70/59/241337059.db2.gz VFLGDAMWFGMIEJ-QLOJAFMTSA-N 0 0 337.419 3.172 50 70 EGIARN Cc1nc2c(s1)CCC[C@H]2NC(=O)c1c(C)nc2ccccn21 ZINC000218423249 279115477 /nfs/dbraw/zinc/11/54/77/279115477.db2.gz HDEYUODCTGXHMF-GFCCVEGCSA-N 0 0 326.425 3.215 50 70 EGIARN O=C(CSC1CCCC1)N1CCC2(CC1)OC(=O)c1ccccc12 ZINC000217532338 456033232 /nfs/dbraw/zinc/03/32/32/456033232.db2.gz WZVGXILNSADWIW-UHFFFAOYSA-N 0 0 345.464 3.351 50 70 EGIARN CC(=O)c1cccc(NC(=O)c2c3c(nc4c2c(C)nn4C)CCC3)c1 ZINC000218479396 534892419 /nfs/dbraw/zinc/89/24/19/534892419.db2.gz HPHJRDSTIVEZSJ-UHFFFAOYSA-N 0 0 348.406 3.220 50 70 EGIARN COc1ccc([C@H]2SCCN2C(=O)Cc2c(C)noc2C)cc1 ZINC000217628775 536946412 /nfs/dbraw/zinc/94/64/12/536946412.db2.gz SOAIPFRCCKFWAS-QGZVFWFLSA-N 0 0 332.425 3.117 50 70 EGIARN COC(=O)CS[C@H]1CCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000217565789 241259715 /nfs/dbraw/zinc/25/97/15/241259715.db2.gz NHDYRWAIMOIHLI-HNNXBMFYSA-N 0 0 335.469 3.105 50 70 EGIARN Cc1cc(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)no1 ZINC000217879111 241281895 /nfs/dbraw/zinc/28/18/95/241281895.db2.gz GQNCFRJOTFFRLP-UHFFFAOYSA-N 0 0 342.424 3.215 50 70 EGIARN O=C(NCCn1ccnc1-c1cccnc1)c1c(F)cccc1Cl ZINC000217866839 241282157 /nfs/dbraw/zinc/28/21/57/241282157.db2.gz MVWOLPRZJJVURB-UHFFFAOYSA-N 0 0 344.777 3.168 50 70 EGIARN Cc1cc2cc(C(=O)N[C@@H]3COCC[C@@H]3OCC3CC3)ccc2o1 ZINC000218650273 241336477 /nfs/dbraw/zinc/33/64/77/241336477.db2.gz KJSDDGGDANBQTH-AEFFLSMTSA-N 0 0 329.396 3.055 50 70 EGIARN Cc1ccc2c(c1)c(=O)c(C(=O)N1CCC[C@H]1c1ccccn1)cn2C ZINC000217172621 241238500 /nfs/dbraw/zinc/23/85/00/241238500.db2.gz FYIJSFZJSNLJRX-IBGZPJMESA-N 0 0 347.418 3.219 50 70 EGIARN CC(C)n1cccc1C(=O)N1CCC[C@H](OCc2ccccn2)C1 ZINC000218407188 241319729 /nfs/dbraw/zinc/31/97/29/241319729.db2.gz TZJOPYZDZYHJPR-KRWDZBQOSA-N 0 0 327.428 3.285 50 70 EGIARN O=C(Nc1cnn(CC2CCOCC2)c1)c1nc2ccccc2s1 ZINC000218220408 241306192 /nfs/dbraw/zinc/30/61/92/241306192.db2.gz PZOZVLQKHPAWTK-UHFFFAOYSA-N 0 0 342.424 3.172 50 70 EGIARN Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCCC(C)C)n1 ZINC000218238236 241307488 /nfs/dbraw/zinc/30/74/88/241307488.db2.gz VCSWVDPRSQIYPN-GOSISDBHSA-N 0 0 340.471 3.279 50 70 EGIARN CC1=CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c4ccc(F)cc43)C[C@@H]2C1 ZINC000218704914 241339491 /nfs/dbraw/zinc/33/94/91/241339491.db2.gz OCPDRYQTIGZEDQ-OLZOCXBDSA-N 0 0 326.371 3.096 50 70 EGIARN COc1cccc(-c2cc(CNC(=O)c3[nH]nc4ccccc43)no2)c1 ZINC000218671704 537063627 /nfs/dbraw/zinc/06/36/27/537063627.db2.gz NQAOCHPLEZEQNY-UHFFFAOYSA-N 0 0 348.362 3.157 50 70 EGIARN Cc1n[nH]c(C)c1CCN(C)C(=O)CCCC(=O)c1ccccc1 ZINC000217089722 241235092 /nfs/dbraw/zinc/23/50/92/241235092.db2.gz WLDYYDYWLZQGIR-UHFFFAOYSA-N 0 0 327.428 3.081 50 70 EGIARN Cc1ccc(NC(=O)NCCn2ccnc2-c2ccccn2)cc1C ZINC000217862782 241278532 /nfs/dbraw/zinc/27/85/32/241278532.db2.gz SNFNMLXJECHGOU-UHFFFAOYSA-N 0 0 335.411 3.384 50 70 EGIARN Cn1nc(CN(Cc2ccco2)C(=O)c2cccnc2)cc1C1CC1 ZINC000217895429 241280761 /nfs/dbraw/zinc/28/07/61/241280761.db2.gz RRYDDLQLIJENEF-UHFFFAOYSA-N 0 0 336.395 3.128 50 70 EGIARN O=C(NCCn1ccc(-c2ccsc2)n1)c1c(F)cccc1F ZINC000217884290 241280852 /nfs/dbraw/zinc/28/08/52/241280852.db2.gz JMHOPENUKBJKLG-UHFFFAOYSA-N 0 0 333.363 3.320 50 70 EGIARN COc1cccc(SCC(=O)NCc2cc(C(C)(C)C)n[nH]2)c1 ZINC000218064487 241295062 /nfs/dbraw/zinc/29/50/62/241295062.db2.gz QGLGDBKTSWRJAA-UHFFFAOYSA-N 0 0 333.457 3.124 50 70 EGIARN Cc1csc(NC(=O)CCC(=O)Nc2cccc3[nH]ccc32)n1 ZINC000218378061 241317018 /nfs/dbraw/zinc/31/70/18/241317018.db2.gz AUWRRVDUCCXQLX-UHFFFAOYSA-N 0 0 328.397 3.290 50 70 EGIARN COc1ccc2[nH]c(CNC(=O)[C@H](C)Sc3ccccn3)cc2c1 ZINC000218551847 241331021 /nfs/dbraw/zinc/33/10/21/241331021.db2.gz JGUCTYXKXIXNGC-LBPRGKRZSA-N 0 0 341.436 3.369 50 70 EGIARN CCc1ccc(C(=O)N2CCN(C3Cc4ccccc4C3)CC2)s1 ZINC000218595360 241332647 /nfs/dbraw/zinc/33/26/47/241332647.db2.gz KJUDRLQGNULCMF-UHFFFAOYSA-N 0 0 340.492 3.236 50 70 EGIARN Cc1n[nH]c(C)c1[C@@H](C)N(C)C(=O)c1cc(-c2cccs2)nn1C ZINC000218706608 241338523 /nfs/dbraw/zinc/33/85/23/241338523.db2.gz GNAQNMBUHWZMTI-GFCCVEGCSA-N 0 0 343.456 3.322 50 70 EGIARN CC(=O)c1ccc2c(c1O)[C@@H](c1ccc(O)c(Cl)c1)CC(=O)O2 ZINC000217657967 273497175 /nfs/dbraw/zinc/49/71/75/273497175.db2.gz LJDDAQUPGBRPBA-LLVKDONJSA-N 0 0 332.739 3.395 50 70 biogenic EGIARN CC[C@@H](NC(=O)c1ncc(F)cc1F)c1nc2cc(C)ccc2[nH]1 ZINC000218067043 535802453 /nfs/dbraw/zinc/80/24/53/535802453.db2.gz HMCBZXFTOKDGTP-GFCCVEGCSA-N 0 0 330.338 3.426 50 70 EGIARN O=C(c1cc(=O)[nH]c2ccc(F)cc21)N1CCC[C@H]1c1ccccn1 ZINC000217174273 241238340 /nfs/dbraw/zinc/23/83/40/241238340.db2.gz IJDHEDAPSFWNIV-KRWDZBQOSA-N 0 0 337.354 3.040 50 70 EGIARN Cc1cc(C(=O)N[C@@H](Cc2ccncc2)[C@H]2C[C@H](O)C2)ccc1Cl ZINC000218440642 241322292 /nfs/dbraw/zinc/32/22/92/241322292.db2.gz UTCNTFPFNFGALB-JZXOWHBKSA-N 0 0 344.842 3.155 50 70 EGIARN O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCCC[C@H]1c1cccnc1 ZINC000217961347 241287690 /nfs/dbraw/zinc/28/76/90/241287690.db2.gz SQWWDYYFGLBDIT-MJGOQNOKSA-N 0 0 349.434 3.188 50 70 biogenic EGIARN CSCc1ccc(C(=O)NCCn2nc(C(F)(F)F)cc2C)o1 ZINC000218122427 241300708 /nfs/dbraw/zinc/30/07/08/241300708.db2.gz ZRGIEQHRHHXZTM-UHFFFAOYSA-N 0 0 347.362 3.096 50 70 EGIARN OC(c1ccccc1)(c1ccccc1)C1CCN(c2ncncn2)CC1 ZINC000218343120 285232133 /nfs/dbraw/zinc/23/21/33/285232133.db2.gz GUGKJBZLQUTEQV-UHFFFAOYSA-N 0 0 346.434 3.024 50 70 EGIARN O=C(N1CCNC1=O)N1CCS[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000217642268 456033890 /nfs/dbraw/zinc/03/38/90/456033890.db2.gz XYQUTAGNNSLFFM-LLVKDONJSA-N 0 0 346.239 3.186 50 70 EGIARN CC(C)c1cc(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)cs1 ZINC000218362375 535348202 /nfs/dbraw/zinc/34/82/02/535348202.db2.gz ZKSCLPXDPYSZIA-INIZCTEOSA-N 0 0 347.484 3.191 50 70 EGIARN CSc1ccccc1C(=O)NCCn1ccnc1-c1ccccn1 ZINC000217860644 241278276 /nfs/dbraw/zinc/27/82/76/241278276.db2.gz AYVHIHHKHCVGEW-UHFFFAOYSA-N 0 0 338.436 3.097 50 70 EGIARN C[C@@](O)(CNC(=O)c1c(F)cccc1F)c1cc2ccccc2o1 ZINC000217985640 241289577 /nfs/dbraw/zinc/28/95/77/241289577.db2.gz HIOHVEJKAPRCOG-GOSISDBHSA-N 0 0 331.318 3.349 50 70 EGIARN O=C(CCN1Cc2ccccc2C1=O)N1CCCC[C@H]1c1cccnc1 ZINC000218077543 241295895 /nfs/dbraw/zinc/29/58/95/241295895.db2.gz VRCNKODLRCMKLC-IBGZPJMESA-N 0 0 349.434 3.181 50 70 biogenic EGIARN COc1ccc2sc(NC(=O)C(C)(C)Br)nc2c1 ZINC000217040584 241233372 /nfs/dbraw/zinc/23/33/72/241233372.db2.gz MMUTZCMOGMOANI-UHFFFAOYSA-N 0 0 329.219 3.417 50 70 EGIARN Nc1nccc(C2CCN(C(=O)CCCCc3ccccc3)CC2)n1 ZINC000217041337 241233621 /nfs/dbraw/zinc/23/36/21/241233621.db2.gz QJSWAVYQVDONFN-UHFFFAOYSA-N 0 0 338.455 3.178 50 70 EGIARN Cc1nnc([C@@H]2CCCN(C(=O)c3ccc(-c4ccco4)cc3)C2)[nH]1 ZINC000217081158 241236374 /nfs/dbraw/zinc/23/63/74/241236374.db2.gz PBBMUWZSBNDSFR-MRXNPFEDSA-N 0 0 336.395 3.393 50 70 EGIARN CC[C@H](NC(=O)Cc1c(C)[nH]c2ccccc21)c1cn2cccnc2n1 ZINC000217196925 241240161 /nfs/dbraw/zinc/24/01/61/241240161.db2.gz XPIXQLSQKCNYHD-INIZCTEOSA-N 0 0 347.422 3.329 50 70 EGIARN Cc1ccc(C(=O)N(Cc2ccncc2)C[C@H]2CCCO2)cc1F ZINC000218425133 241322323 /nfs/dbraw/zinc/32/23/23/241322323.db2.gz LBISCEAZLVEUHF-QGZVFWFLSA-N 0 0 328.387 3.351 50 70 EGIARN O=C(c1scc2c1CCCC2)N1CC[C@@](O)(c2ccccc2)C1 ZINC000218417057 241322396 /nfs/dbraw/zinc/32/23/96/241322396.db2.gz JUZFKDWDWJPNAO-IBGZPJMESA-N 0 0 327.449 3.361 50 70 EGIARN CCc1cccc2c(C(C)=O)cn(CC(=O)N(C)Cc3ccon3)c21 ZINC000217900381 241284029 /nfs/dbraw/zinc/28/40/29/241284029.db2.gz YVUVBNMNYKATPD-UHFFFAOYSA-N 0 0 339.395 3.053 50 70 EGIARN O=C(Cc1ccccc1OCc1ccccc1)N[C@H]1C[C@@H]2OCC[C@H]12 ZINC000218259369 241310165 /nfs/dbraw/zinc/31/01/65/241310165.db2.gz QNABMGXILBXTSV-HBFSDRIKSA-N 0 0 337.419 3.102 50 70 EGIARN CSCC[C@H](NC(=O)c1ccccn1)c1nc2ccccc2n1C ZINC000218305708 241312462 /nfs/dbraw/zinc/31/24/62/241312462.db2.gz GZDYQICFNSTHJQ-AWEZNQCLSA-N 0 0 340.452 3.193 50 70 EGIARN Cc1nnc([C@H]2CCCN2C(=O)c2cc3c(s2)CCCCC3)[nH]1 ZINC000217851535 293125709 /nfs/dbraw/zinc/12/57/09/293125709.db2.gz GACGDSLPFMZEBV-CYBMUJFWSA-N 0 0 330.457 3.421 50 70 EGIARN CC(C)CCn1cnc2ccc(NC(=O)c3ccccn3)cc2c1=O ZINC000218549677 534991038 /nfs/dbraw/zinc/99/10/38/534991038.db2.gz GDYNKMURTHEIOG-UHFFFAOYSA-N 0 0 336.395 3.090 50 70 EGIARN COc1ccccc1NC(=O)NC[C@@](C)(O)c1cc2ccccc2o1 ZINC000218004373 537084479 /nfs/dbraw/zinc/08/44/79/537084479.db2.gz QTDWBGGKEGNPBE-LJQANCHMSA-N 0 0 340.379 3.471 50 70 EGIARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](C(C)C)CC(=O)O2 ZINC000217994668 547240755 /nfs/dbraw/zinc/24/07/55/547240755.db2.gz WZKRJKOUXKBDQI-INIZCTEOSA-N 0 0 341.407 3.154 50 70 biogenic EGIARN O=C(Cc1ccsc1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217665356 241268463 /nfs/dbraw/zinc/26/84/63/241268463.db2.gz HHMXVLUZYAEEFI-INIZCTEOSA-N 0 0 338.436 3.023 50 70 EGIARN O=C(NCc1ccc2ccccc2n1)[C@H](O)c1ccccc1Cl ZINC000217078340 241236393 /nfs/dbraw/zinc/23/63/93/241236393.db2.gz LWYUHUWNBYZYJH-QGZVFWFLSA-N 0 0 326.783 3.238 50 70 EGIARN C[C@@](O)(CNS(=O)(=O)c1ccccc1)c1cc2ccccc2s1 ZINC000217510897 241254192 /nfs/dbraw/zinc/25/41/92/241254192.db2.gz VTGQTROKINXXCV-QGZVFWFLSA-N 0 0 347.461 3.087 50 70 EGIARN O=C(NCC[C@@H](O)c1ccsc1)c1ccccc1Br ZINC000217532310 241257186 /nfs/dbraw/zinc/25/71/86/241257186.db2.gz JVAWQYZJRRZUOL-CYBMUJFWSA-N 0 0 340.242 3.364 50 70 EGIARN Cc1cc(C)c(S(=O)(=O)NCC[C@@H](O)c2ccsc2)cc1C ZINC000217536638 241258077 /nfs/dbraw/zinc/25/80/77/241258077.db2.gz NSCPDKWAHWBOOO-OAHLLOKOSA-N 0 0 339.482 3.075 50 70 EGIARN COc1ccc(C(=O)NC[C@@](C)(O)c2cc3ccccc3o2)cc1F ZINC000217994203 241290662 /nfs/dbraw/zinc/29/06/62/241290662.db2.gz TUTQEMMKSPDNJD-LJQANCHMSA-N 0 0 343.354 3.218 50 70 EGIARN CC(=O)c1[nH]c(C)c(C(=O)N2CCC(c3ccncc3)CC2)c1C ZINC000218032268 241291273 /nfs/dbraw/zinc/29/12/73/241291273.db2.gz RCFWDNLQEMKBQW-UHFFFAOYSA-N 0 0 325.412 3.249 50 70 EGIARN CCn1nc(C)c([C@@H](C)NC(=O)Cc2ccc(O)c(Cl)c2)c1C ZINC000218196407 241306613 /nfs/dbraw/zinc/30/66/13/241306613.db2.gz AVLCAGQBLGHBGC-SNVBAGLBSA-N 0 0 335.835 3.299 50 70 EGIARN O[C@H](c1cc2n(n1)CCCN(Cc1ccc(Cl)s1)C2)C1CC1 ZINC000218548146 241330344 /nfs/dbraw/zinc/33/03/44/241330344.db2.gz RPOFLMLGXUOVEN-INIZCTEOSA-N 0 0 337.876 3.447 50 70 EGIARN CNc1cc([C@H]2C[C@@H](NC(=O)c3ccc(Cl)c(C)c3)C2)ncn1 ZINC000218319557 241316042 /nfs/dbraw/zinc/31/60/42/241316042.db2.gz KBRWKWCAJOKNAL-JOCQHMNTSA-N 0 0 330.819 3.156 50 70 EGIARN O=C1C[C@@H](c2cccc(OC(F)F)c2)c2cc3c(cc2O1)OCO3 ZINC000218368560 241316916 /nfs/dbraw/zinc/31/69/16/241316916.db2.gz UFHYUZCZGCRTKF-NSHDSACASA-N 0 0 334.274 3.458 50 70 EGIARN CSc1nc(C(=O)N[C@H](Cn2cccn2)c2ccccc2)cs1 ZINC000218707998 241339705 /nfs/dbraw/zinc/33/97/05/241339705.db2.gz LJDCYPVQUPFTQR-CYBMUJFWSA-N 0 0 344.465 3.233 50 70 EGIARN CCC[C@]1(CO)CCCN(C(=O)Cc2ccc(F)cc2Cl)C1 ZINC000218729358 241341455 /nfs/dbraw/zinc/34/14/55/241341455.db2.gz BTHPHYYWSIIDIU-KRWDZBQOSA-N 0 0 327.827 3.423 50 70 EGIARN COc1ccccc1NC(=O)c1c2c(nc3c1c(C)nn3C)CCC2 ZINC000218467102 278057897 /nfs/dbraw/zinc/05/78/97/278057897.db2.gz CLADTMWUGFPQDU-UHFFFAOYSA-N 0 0 336.395 3.026 50 70 EGIARN CCCc1nc(C)c(CNC(=O)c2c(C)[nH]c(C(C)=O)c2C)s1 ZINC000218159812 535508839 /nfs/dbraw/zinc/50/88/39/535508839.db2.gz HBGILVPIDKNGGF-UHFFFAOYSA-N 0 0 333.457 3.482 50 70 EGIARN O=C(NC[C@](O)(c1ccccc1)C1CC1)c1ccc2ncsc2c1 ZINC000217576909 241260669 /nfs/dbraw/zinc/26/06/69/241260669.db2.gz RMXGVFAQNMPMLM-IBGZPJMESA-N 0 0 338.432 3.324 50 70 EGIARN O=C(/C=C/c1ccco1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217654325 241266169 /nfs/dbraw/zinc/26/61/69/241266169.db2.gz YHNCRJWPRURINK-FDMDGMSGSA-N 0 0 334.379 3.025 50 70 EGIARN CCOCCOc1cccc(C(=O)N[C@H](C)c2nc(C)cs2)c1 ZINC000217051286 241232768 /nfs/dbraw/zinc/23/27/68/241232768.db2.gz SYALJULXSIPWGJ-CYBMUJFWSA-N 0 0 334.441 3.358 50 70 EGIARN Cc1cc2cc(C(=O)N3CCCn4nc([C@@H](C)O)cc4C3)ccc2o1 ZINC000217177863 241237536 /nfs/dbraw/zinc/23/75/36/241237536.db2.gz SMAYRZAAZHLHEO-CYBMUJFWSA-N 0 0 339.395 3.037 50 70 EGIARN O=C(c1scc2c1CCCC2)N1CC[C@](O)(c2ccccc2)C1 ZINC000218417140 241322902 /nfs/dbraw/zinc/32/29/02/241322902.db2.gz JUZFKDWDWJPNAO-LJQANCHMSA-N 0 0 327.449 3.361 50 70 EGIARN CCOc1ccc(C(=O)N2CCCC[C@H]2CCn2ccnc2C)o1 ZINC000218476997 241326894 /nfs/dbraw/zinc/32/68/94/241326894.db2.gz IZSDROUZAHWVDX-HNNXBMFYSA-N 0 0 331.416 3.268 50 70 EGIARN Cc1cc(C(=O)N(Cc2cc(C3CC3)n(C)n2)Cc2ccco2)no1 ZINC000217895982 241280671 /nfs/dbraw/zinc/28/06/71/241280671.db2.gz JGMKKAMOQKHOEX-UHFFFAOYSA-N 0 0 340.383 3.030 50 70 EGIARN COc1ccc([C@H]2CC(=O)Oc3c4ccccc4oc(=O)c32)c(F)c1 ZINC000218264808 286377284 /nfs/dbraw/zinc/37/72/84/286377284.db2.gz OUENMDRZGCBESJ-CYBMUJFWSA-N 0 0 340.306 3.382 50 70 EGIARN O=C(NCc1cnc2cnccn12)c1cccc(-c2ccccc2)c1 ZINC000217625612 241263349 /nfs/dbraw/zinc/26/33/49/241263349.db2.gz ASAZOJHEKFMVKI-UHFFFAOYSA-N 0 0 328.375 3.326 50 70 EGIARN Cc1nccn1CC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000217087608 241236940 /nfs/dbraw/zinc/23/69/40/241236940.db2.gz PRFXKPHQDGKDNQ-INIZCTEOSA-N 0 0 325.412 3.144 50 70 EGIARN Cc1c(Cl)cccc1S(=O)(=O)NCC[C@@H](O)c1ccsc1 ZINC000217537595 241256448 /nfs/dbraw/zinc/25/64/48/241256448.db2.gz UQBIBGOTNHJPKN-CYBMUJFWSA-N 0 0 345.873 3.112 50 70 EGIARN CC[C@@H](NC(=O)c1cc(-c2cccs2)n(C)n1)c1ccncc1 ZINC000218396072 241319899 /nfs/dbraw/zinc/31/98/99/241319899.db2.gz WLURIQZAJTWVOT-CYBMUJFWSA-N 0 0 326.425 3.425 50 70 EGIARN C[C@](O)(CNC(=O)c1c(F)cccc1F)c1cc2ccccc2o1 ZINC000217985723 241290069 /nfs/dbraw/zinc/29/00/69/241290069.db2.gz HIOHVEJKAPRCOG-SFHVURJKSA-N 0 0 331.318 3.349 50 70 EGIARN Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NC2CCCC2)n1 ZINC000218356411 241315179 /nfs/dbraw/zinc/31/51/79/241315179.db2.gz VULJEYDCIZTYER-GOSISDBHSA-N 0 0 338.455 3.175 50 70 EGIARN CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cnc2ccccc2c1 ZINC000218374309 241318328 /nfs/dbraw/zinc/31/83/28/241318328.db2.gz CSZXUQCRIQINOU-MOPGFXCFSA-N 0 0 340.423 3.105 50 70 EGIARN Cc1ccc(C)n1CC(=O)N[C@@H](CC(C)C)c1nnc2ccccn21 ZINC000218564610 241331382 /nfs/dbraw/zinc/33/13/82/241331382.db2.gz MWPBYSQMRHAYHZ-INIZCTEOSA-N 0 0 339.443 3.051 50 70 EGIARN O=C(Nc1cnn(CC2CCOCC2)c1)c1cc2ccccc2o1 ZINC000218215573 241306506 /nfs/dbraw/zinc/30/65/06/241306506.db2.gz QQAISAXWCAVEEB-UHFFFAOYSA-N 0 0 325.368 3.308 50 70 EGIARN Cc1noc2nc3c(c(C(=O)NCc4cccc(F)c4)c12)CCC3 ZINC000218223637 241307649 /nfs/dbraw/zinc/30/76/49/241307649.db2.gz ZMHVVAACNWPXON-UHFFFAOYSA-N 0 0 325.343 3.089 50 70 EGIARN O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1ccc(OCc2ccccc2F)cc1 ZINC000218584451 241333145 /nfs/dbraw/zinc/33/31/45/241333145.db2.gz ZSUYTHTUTHUTJE-NEWSRXKRSA-N 0 0 341.382 3.312 50 70 EGIARN Cc1cccc(CC(=O)N2CCC3(CC2)OC(=O)c2ccccc23)c1 ZINC000217511223 456034022 /nfs/dbraw/zinc/03/40/22/456034022.db2.gz RMMHNJKWRRNDEN-UHFFFAOYSA-N 0 0 335.403 3.226 50 70 EGIARN COc1ccc(-c2sc(C)nc2C(=O)NCc2ccccn2)cc1 ZINC000218550661 536550385 /nfs/dbraw/zinc/55/03/85/536550385.db2.gz OVMFKJUUGXXRFT-UHFFFAOYSA-N 0 0 339.420 3.452 50 70 EGIARN O=C(NCC1(c2ccsc2)CCCC1)C(=O)Nc1ccccc1 ZINC000217484778 241252357 /nfs/dbraw/zinc/25/23/57/241252357.db2.gz XOFRLFIBRDWYNL-UHFFFAOYSA-N 0 0 328.437 3.315 50 70 EGIARN O=C(COC[C@H]1CCCCO1)NCc1ccc(-c2ccccc2)o1 ZINC000217496855 241253020 /nfs/dbraw/zinc/25/30/20/241253020.db2.gz HRGGYDVFKBYIME-QGZVFWFLSA-N 0 0 329.396 3.149 50 70 EGIARN O=C(COC[C@@H]1CCCCO1)NCc1ccc(-c2ccccc2)o1 ZINC000217496765 241253560 /nfs/dbraw/zinc/25/35/60/241253560.db2.gz HRGGYDVFKBYIME-KRWDZBQOSA-N 0 0 329.396 3.149 50 70 EGIARN COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)c1ccccc1Cl ZINC000218006575 241289787 /nfs/dbraw/zinc/28/97/87/241289787.db2.gz WZYLKRNMKAKCAE-LJQANCHMSA-N 0 0 345.826 3.303 50 70 EGIARN Cc1ncsc1CCN(C)C(=O)c1cc(=O)c2ccc(C)cc2o1 ZINC000218015349 241292090 /nfs/dbraw/zinc/29/20/90/241292090.db2.gz YTCWRNVCBXQXJC-UHFFFAOYSA-N 0 0 342.420 3.181 50 70 EGIARN Cc1ccccc1CC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1 ZINC000218116883 241298018 /nfs/dbraw/zinc/29/80/18/241298018.db2.gz HJRUCOQQCUBZDT-WOJBJXKFSA-N 0 0 339.435 3.028 50 70 EGIARN CCn1ccc2cc(C(=O)N[C@@H](c3ccccn3)[C@H]3C[C@H](O)C3)ccc21 ZINC000218123935 241299283 /nfs/dbraw/zinc/29/92/83/241299283.db2.gz OHIXOXXKIQXXLI-FUHIMQAGSA-N 0 0 349.434 3.298 50 70 EGIARN O[C@@H](c1cc2n(n1)CCCN(Cc1ccc(Cl)s1)C2)C1CC1 ZINC000218548086 241330278 /nfs/dbraw/zinc/33/02/78/241330278.db2.gz RPOFLMLGXUOVEN-MRXNPFEDSA-N 0 0 337.876 3.447 50 70 EGIARN COc1ccc(C(=O)c2cc3cccnc3s2)cc1NC(C)=O ZINC000218361965 241316850 /nfs/dbraw/zinc/31/68/50/241316850.db2.gz SPOKGSSPDHUIHA-UHFFFAOYSA-N 0 0 326.377 3.494 50 70 EGIARN Cc1nc2cc(NC(=O)CC3(n4cccc4)CCOCC3)ccc2[nH]1 ZINC000218380030 241317677 /nfs/dbraw/zinc/31/76/77/241317677.db2.gz YQXIMSKEDZQHDP-UHFFFAOYSA-N 0 0 338.411 3.207 50 70 EGIARN CSc1ncc(CNC(=O)c2ccc(N3CCCCC3)cc2)n1C ZINC000218735642 241341613 /nfs/dbraw/zinc/34/16/13/241341613.db2.gz DRNOTKCOIDHTRY-UHFFFAOYSA-N 0 0 344.484 3.062 50 70 EGIARN O=C(CCN1CCCCCC1=O)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000217029933 456030774 /nfs/dbraw/zinc/03/07/74/456030774.db2.gz JBBJYXMPBFCTSZ-QGZVFWFLSA-N 0 0 332.419 3.282 50 70 EGIARN CC[C@@H](C(=O)NCCn1ccnc1-c1ccccn1)c1ccccc1 ZINC000217859680 535416224 /nfs/dbraw/zinc/41/62/24/535416224.db2.gz WHHBCKMEDXPTOD-QGZVFWFLSA-N 0 0 334.423 3.255 50 70 EGIARN COc1ccc2ncc(C(=O)N3CCc4ccccc4C3)c(O)c2c1 ZINC000217691277 241267215 /nfs/dbraw/zinc/26/72/15/241267215.db2.gz CMWOPQXGYGTPRY-UHFFFAOYSA-N 0 0 334.375 3.148 50 70 biogenic EGIARN O=C(Cc1ccsc1)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217665271 241268489 /nfs/dbraw/zinc/26/84/89/241268489.db2.gz HHMXVLUZYAEEFI-MRXNPFEDSA-N 0 0 338.436 3.023 50 70 EGIARN Cc1cc(C)c(S(=O)(=O)NCC[C@H](O)c2ccsc2)cc1C ZINC000217536553 241257896 /nfs/dbraw/zinc/25/78/96/241257896.db2.gz NSCPDKWAHWBOOO-HNNXBMFYSA-N 0 0 339.482 3.075 50 70 EGIARN CC(C)C[C@H](NC(=O)CCCn1cccn1)c1nc2ccccc2[nH]1 ZINC000218421612 241322255 /nfs/dbraw/zinc/32/22/55/241322255.db2.gz ALEGIFLKCMGYFE-KRWDZBQOSA-N 0 0 339.443 3.443 50 70 EGIARN Cn1nc(-c2ccc(F)cc2)cc1C(=O)Nc1ccn2nccc2c1 ZINC000217956854 241287680 /nfs/dbraw/zinc/28/76/80/241287680.db2.gz PSOVCIZPTZJUIH-UHFFFAOYSA-N 0 0 335.342 3.126 50 70 EGIARN O=C(c1ccccc1F)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217654420 241265697 /nfs/dbraw/zinc/26/56/97/241265697.db2.gz DZJKUBRMCXZADC-OAHLLOKOSA-N 0 0 336.370 3.171 50 70 EGIARN COC(=O)c1ccc(C(=O)Nc2sccc2-c2nc(C)no2)cc1 ZINC000217647548 241265963 /nfs/dbraw/zinc/26/59/63/241265963.db2.gz URWCZRDEWGJHEQ-UHFFFAOYSA-N 0 0 343.364 3.145 50 70 EGIARN O=C(NC[C@@H]1OCCc2ccccc21)c1ccccc1N1CCCC1 ZINC000217190217 241241770 /nfs/dbraw/zinc/24/17/70/241241770.db2.gz AODMEEPXZSBMAH-FQEVSTJZSA-N 0 0 336.435 3.331 50 70 EGIARN O=C(NCCn1ccnc1-c1ccccn1)c1ccc(Cl)s1 ZINC000217862092 241278488 /nfs/dbraw/zinc/27/84/88/241278488.db2.gz ILFRAGAOCNWLSN-UHFFFAOYSA-N 0 0 332.816 3.090 50 70 EGIARN COc1ccc(C(=O)NC[C@](C)(O)c2cc3ccccc3o2)cc1 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O=C(NCCn1ccnc1-c1ccccn1)Nc1c(F)cccc1F ZINC000217862679 241279050 /nfs/dbraw/zinc/27/90/50/241279050.db2.gz PRTPDAKTUALEQY-UHFFFAOYSA-N 0 0 343.337 3.045 50 70 EGIARN Cn1nc(CN(Cc2ccco2)C(=O)c2cccs2)c2c1CCC2 ZINC000217903563 241283186 /nfs/dbraw/zinc/28/31/86/241283186.db2.gz GNSYMTUIUJRCNI-UHFFFAOYSA-N 0 0 341.436 3.406 50 70 EGIARN C[C@H](Cc1cnccn1)NC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000218231649 241307887 /nfs/dbraw/zinc/30/78/87/241307887.db2.gz HPUIOVXPOLQCNW-CYBMUJFWSA-N 0 0 329.831 3.299 50 70 EGIARN COc1ccc(C2(C(=O)NCc3cc(C(C)(C)C)n[nH]3)CC2)cc1 ZINC000218281875 241310355 /nfs/dbraw/zinc/31/03/55/241310355.db2.gz ISJQQZYMONLJAZ-UHFFFAOYSA-N 0 0 327.428 3.064 50 70 EGIARN CSCc1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)o1 ZINC000218684475 241338585 /nfs/dbraw/zinc/33/85/85/241338585.db2.gz KNXWZFKJMWSOEF-UHFFFAOYSA-N 0 0 332.425 3.221 50 70 EGIARN Cc1noc(-c2ccsc2NC(=O)COc2ccccc2F)n1 ZINC000217648766 241266122 /nfs/dbraw/zinc/26/61/22/241266122.db2.gz MODQYGMIQYXEDW-UHFFFAOYSA-N 0 0 333.344 3.263 50 70 EGIARN CSc1nc(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cs1 ZINC000216976074 241229224 /nfs/dbraw/zinc/22/92/24/241229224.db2.gz SJEDGFZSRFURTI-SECBINFHSA-N 0 0 336.438 3.127 50 70 EGIARN Cc1nccc(C2CCN(C(=O)Cc3cn(C)c4ccccc34)CC2)n1 ZINC000217855493 241279807 /nfs/dbraw/zinc/27/98/07/241279807.db2.gz IYKQVHFOGQEDGZ-UHFFFAOYSA-N 0 0 348.450 3.225 50 70 EGIARN CC1(C)C(C(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)C1(C)C ZINC000218380201 241318002 /nfs/dbraw/zinc/31/80/02/241318002.db2.gz IWFFXCYTZLXOGF-VMBOVVBDSA-N 0 0 343.467 3.232 50 70 EGIARN O=C(/C=C/c1ccccc1Cl)NCCSC1CCOCC1 ZINC000217705783 241270796 /nfs/dbraw/zinc/27/07/96/241270796.db2.gz JXMQKAIMGPLTIM-AATRIKPKSA-N 0 0 325.861 3.382 50 70 EGIARN CN(C[C@@H]1COCCO1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000217794605 241274880 /nfs/dbraw/zinc/27/48/80/241274880.db2.gz MUQLFDKGXXKWAS-LJQANCHMSA-N 0 0 339.435 3.082 50 70 EGIARN Cc1nc2cc(CNC(=O)[C@H](C)n3ccnc3C(C)C)ccc2n1C ZINC000217175003 241237639 /nfs/dbraw/zinc/23/76/39/241237639.db2.gz 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/nfs/dbraw/zinc/23/07/63/241230763.db2.gz HPZNBROCTMPAIK-CYBMUJFWSA-N 0 0 347.798 3.309 50 70 EGIARN O=C(COCC(F)(F)C(F)F)N1CCCC[C@@H]1c1ccccn1 ZINC000217508493 241254305 /nfs/dbraw/zinc/25/43/05/241254305.db2.gz APXHTPZQGWKFJV-GFCCVEGCSA-N 0 0 334.313 3.052 50 70 EGIARN Cc1nnc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCCCC3)[nH]1 ZINC000217851447 241278650 /nfs/dbraw/zinc/27/86/50/241278650.db2.gz GACGDSLPFMZEBV-ZDUSSCGKSA-N 0 0 330.457 3.421 50 70 EGIARN CCn1nc(CNc2cc(C3CC(O)C3)nc(C)n2)c2ccccc21 ZINC000218560502 241330810 /nfs/dbraw/zinc/33/08/10/241330810.db2.gz BQKXJDUAHCVEFE-UHFFFAOYSA-N 0 0 337.427 3.005 50 70 EGIARN Cc1n[nH]c(C)c1[C@H](C)NC(=O)Cc1ccc(F)c(Cl)c1F ZINC000218012887 241291948 /nfs/dbraw/zinc/29/19/48/241291948.db2.gz CKDFDMMASXNSBI-ZETCQYMHSA-N 0 0 327.762 3.378 50 70 EGIARN Cn1ncnc1[C@@H](NC(=O)c1cccc(Oc2ccccc2)c1)C1CC1 ZINC000218079179 241295328 /nfs/dbraw/zinc/29/53/28/241295328.db2.gz UFRUHEJSQZDTAS-SFHVURJKSA-N 0 0 348.406 3.489 50 70 EGIARN O=C(c1ccccc1OC(F)F)N1CCC[C@@H](Cn2ccnc2)C1 ZINC000218106278 241297351 /nfs/dbraw/zinc/29/73/51/241297351.db2.gz WCCUFEVUUZYISS-ZDUSSCGKSA-N 0 0 335.354 3.037 50 70 EGIARN CCN(C[C@@H]1CCCCO1)C(=O)COc1ccc(Cl)cc1C ZINC000218744663 241344778 /nfs/dbraw/zinc/34/47/78/241344778.db2.gz AYVOMUZWRBBQEI-HNNXBMFYSA-N 0 0 325.836 3.445 50 70 EGIARN O=C1C[C@H](c2c(Cl)nc3sccn32)c2cc3c(cc2O1)OCO3 ZINC000218161253 296349299 /nfs/dbraw/zinc/34/92/99/296349299.db2.gz LMYTXHCQCUPUJO-QMMMGPOBSA-N 0 0 348.767 3.219 50 70 EGIARN CCc1nc([C@@H](C)n2nc(C)cc2C)n(Cc2ccc(OC)cc2)n1 ZINC000217805546 536148467 /nfs/dbraw/zinc/14/84/67/536148467.db2.gz QGJPPDUGAHOEBM-OAHLLOKOSA-N 0 0 339.443 3.320 50 70 EGIARN O=C(c1ccccc1F)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217654496 241265735 /nfs/dbraw/zinc/26/57/35/241265735.db2.gz DZJKUBRMCXZADC-HNNXBMFYSA-N 0 0 336.370 3.171 50 70 EGIARN O=C(NC(c1ccccc1)c1ccccc1)N1CC[C@H](n2ccnn2)C1 ZINC000217688658 241268430 /nfs/dbraw/zinc/26/84/30/241268430.db2.gz DNORGPRBXJWOAP-SFHVURJKSA-N 0 0 347.422 3.024 50 70 EGIARN CC[C@H](NC(=O)c1csc(NC)n1)c1nc2cc(C)ccc2[nH]1 ZINC000217006082 241229461 /nfs/dbraw/zinc/22/94/61/241229461.db2.gz KOSYTIPAUYUFOH-JTQLQIEISA-N 0 0 329.429 3.251 50 70 EGIARN CC(C)OCC1CCN(C(=O)[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC000217524184 241254489 /nfs/dbraw/zinc/25/44/89/241254489.db2.gz UAGLFDOHJLEYPI-SFHVURJKSA-N 0 0 336.451 3.092 50 70 EGIARN Cc1nnc(CCNC(=O)CSCc2ccccc2Cl)s1 ZINC000218099074 241297824 /nfs/dbraw/zinc/29/78/24/241297824.db2.gz USRVFODQPWWFDT-UHFFFAOYSA-N 0 0 341.889 3.092 50 70 EGIARN O=C(c1ccccc1OC(F)F)N1CCC[C@H](Cn2ccnc2)C1 ZINC000218106344 241297978 /nfs/dbraw/zinc/29/79/78/241297978.db2.gz WCCUFEVUUZYISS-CYBMUJFWSA-N 0 0 335.354 3.037 50 70 EGIARN C[C@@H](Cc1cnccn1)NC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000218231568 241309185 /nfs/dbraw/zinc/30/91/85/241309185.db2.gz HPUIOVXPOLQCNW-ZDUSSCGKSA-N 0 0 329.831 3.299 50 70 EGIARN CCc1nc(C)sc1CNC(=O)CCc1nc2ccccc2[nH]1 ZINC000218284395 241310672 /nfs/dbraw/zinc/31/06/72/241310672.db2.gz YKMIXTPLQHTIEJ-UHFFFAOYSA-N 0 0 328.441 3.139 50 70 EGIARN Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cc(C(C)C)nc(N)n1)CC3 ZINC000217836250 281028160 /nfs/dbraw/zinc/02/81/60/281028160.db2.gz YMKXHOHUZMRTNB-UHFFFAOYSA-N 0 0 349.438 3.170 50 70 EGIARN CN(C[C@H]1COCCO1)C(=O)CC(c1ccccc1)c1ccccc1 ZINC000217794685 241275283 /nfs/dbraw/zinc/27/52/83/241275283.db2.gz MUQLFDKGXXKWAS-IBGZPJMESA-N 0 0 339.435 3.082 50 70 EGIARN Cc1cncnc1C1CCN(C(=O)c2cn(C)c3ccccc23)CC1 ZINC000217170010 241238817 /nfs/dbraw/zinc/23/88/17/241238817.db2.gz VKDIXFGEMHTEEV-UHFFFAOYSA-N 0 0 334.423 3.297 50 70 EGIARN CC(C)OCC1CCN(C(=O)[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC000217524105 241255781 /nfs/dbraw/zinc/25/57/81/241255781.db2.gz UAGLFDOHJLEYPI-GOSISDBHSA-N 0 0 336.451 3.092 50 70 EGIARN C[C@](O)(CNS(=O)(=O)c1ccccc1)c1cc2ccccc2s1 ZINC000217510966 241255886 /nfs/dbraw/zinc/25/58/86/241255886.db2.gz VTGQTROKINXXCV-KRWDZBQOSA-N 0 0 347.461 3.087 50 70 EGIARN O=C(c1cc2sccc2[nH]1)N1CCC(OCc2ccccn2)CC1 ZINC000218522342 241328444 /nfs/dbraw/zinc/32/84/44/241328444.db2.gz HLIWRDOVNHUEGV-UHFFFAOYSA-N 0 0 341.436 3.446 50 70 EGIARN O=C(NCCn1ccc(-c2ccsc2)n1)c1ccc(F)c(F)c1 ZINC000217884414 241281262 /nfs/dbraw/zinc/28/12/62/241281262.db2.gz VELKUUSBSXXPSQ-UHFFFAOYSA-N 0 0 333.363 3.320 50 70 EGIARN Cn1cccc1[C@H](O)CCNC(=O)c1csc(-c2ccccc2)n1 ZINC000217936877 241286567 /nfs/dbraw/zinc/28/65/67/241286567.db2.gz WWDCMXSUIVRSEN-MRXNPFEDSA-N 0 0 341.436 3.002 50 70 EGIARN COc1nc(C)cc(C)c1CNC(=O)CCC(=O)c1ccc(F)cc1 ZINC000218174106 241304601 /nfs/dbraw/zinc/30/46/01/241304601.db2.gz SNAXFBDRGJRLIJ-UHFFFAOYSA-N 0 0 344.386 3.125 50 70 EGIARN CCn1nc(C)c([C@H](C)NC(=O)Cc2ccc(O)c(Cl)c2)c1C ZINC000218196482 241306486 /nfs/dbraw/zinc/30/64/86/241306486.db2.gz AVLCAGQBLGHBGC-JTQLQIEISA-N 0 0 335.835 3.299 50 70 EGIARN CC(C)c1nccn1[C@@H](C)C(=O)NCc1ccc2c(c1)CCCO2 ZINC000218293233 241312821 /nfs/dbraw/zinc/31/28/21/241312821.db2.gz PRHXDCAWKGMIQQ-AWEZNQCLSA-N 0 0 327.428 3.209 50 70 EGIARN O=C(COc1ncnc2ccccc21)N1CCCC[C@@H]1c1ccccn1 ZINC000217213811 241242949 /nfs/dbraw/zinc/24/29/49/241242949.db2.gz MYTVLTPPXQWDQB-GOSISDBHSA-N 0 0 348.406 3.157 50 70 EGIARN COc1cccc(NC(=O)NCC[C@H](O)c2ccsc2)c1OC ZINC000217547040 241256406 /nfs/dbraw/zinc/25/64/06/241256406.db2.gz JLQUOSPEWQRKHB-ZDUSSCGKSA-N 0 0 336.413 3.011 50 70 EGIARN COC[C@@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccccn1 ZINC000218060906 241294284 /nfs/dbraw/zinc/29/42/84/241294284.db2.gz QJRGWVMEIXOFDM-LJQANCHMSA-N 0 0 339.439 3.189 50 70 EGIARN Cc1cnccc1C(=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000218595671 241332049 /nfs/dbraw/zinc/33/20/49/241332049.db2.gz ZKPMNDKOPPJUGU-LAGYLCCXSA-N 0 0 347.418 3.180 50 70 EGIARN CC[C@@H]1[C@@H](NC(=O)Cc2cccc(C(F)(F)F)c2)[C@@H]2CCO[C@H]12 ZINC000218290786 535958073 /nfs/dbraw/zinc/95/80/73/535958073.db2.gz BLGKBPLODTZBJA-OCVGTWLNSA-N 0 0 327.346 3.178 50 70 EGIARN CN1C(=O)C[C@H](CNC(=O)CCCc2cccs2)c2ccccc21 ZINC000217669641 536316918 /nfs/dbraw/zinc/31/69/18/536316918.db2.gz MIGFOPMARSCRIN-CQSZACIVSA-N 0 0 342.464 3.337 50 70 EGIARN COc1cc(Cl)ccc1C(=O)NCC[C@H]1COc2ccccc2O1 ZINC000216966215 241231300 /nfs/dbraw/zinc/23/13/00/241231300.db2.gz HPZNBROCTMPAIK-ZDUSSCGKSA-N 0 0 347.798 3.309 50 70 EGIARN Cc1ccc2c(c1)c(=O)c(C(=O)N1CCC[C@@H]1c1ccccn1)cn2C ZINC000217172615 241238140 /nfs/dbraw/zinc/23/81/40/241238140.db2.gz FYIJSFZJSNLJRX-LJQANCHMSA-N 0 0 347.418 3.219 50 70 EGIARN CC(C)c1nnc(NC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)[nH]1 ZINC000218381339 241318272 /nfs/dbraw/zinc/31/82/72/241318272.db2.gz HJYRFESIAZHLIU-UHFFFAOYSA-N 0 0 330.779 3.224 50 70 EGIARN Cc1[nH]c2ccc(C(=O)N[C@@H]3CCOC[C@H]3OCC3CC3)cc2c1C ZINC000218687563 241338615 /nfs/dbraw/zinc/33/86/15/241338615.db2.gz ZOPYQJCOVZLAQI-RTBURBONSA-N 0 0 342.439 3.099 50 70 EGIARN O=C(N1CCNC1=O)N1CCS[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000217642344 241265043 /nfs/dbraw/zinc/26/50/43/241265043.db2.gz XYQUTAGNNSLFFM-NSHDSACASA-N 0 0 346.239 3.186 50 70 EGIARN Cc1cc(C(=O)NC[C@@H](c2cccnc2)N2CCCCC2)cc(C)n1 ZINC000217355198 241245415 /nfs/dbraw/zinc/24/54/15/241245415.db2.gz LSFBULOYKXKRFJ-IBGZPJMESA-N 0 0 338.455 3.050 50 70 EGIARN O=C(NCC[C@H](O)c1ccsc1)c1cc(-c2ccccc2)on1 ZINC000217531027 241254786 /nfs/dbraw/zinc/25/47/86/241254786.db2.gz REXPPEYIXZHEJB-HNNXBMFYSA-N 0 0 328.393 3.257 50 70 EGIARN Cc1cc(C(=O)N[C@H](Cc2ccncc2)[C@H]2C[C@H](O)C2)ccc1Cl ZINC000218440724 241321672 /nfs/dbraw/zinc/32/16/72/241321672.db2.gz UTCNTFPFNFGALB-SOLBZPMBSA-N 0 0 344.842 3.155 50 70 EGIARN CC[C@H](O)c1cc2n(n1)CCN(Cc1cccc3c(C)c(C)[nH]c31)C2 ZINC000217865782 241278496 /nfs/dbraw/zinc/27/84/96/241278496.db2.gz QMRONSSIRASKOV-IBGZPJMESA-N 0 0 338.455 3.440 50 70 EGIARN C[C@](O)(CNC(=O)Cc1ccc(F)cc1)c1cc2ccccc2o1 ZINC000217985117 241287144 /nfs/dbraw/zinc/28/71/44/241287144.db2.gz SYUWCGKKFYNECD-IBGZPJMESA-N 0 0 327.355 3.138 50 70 EGIARN COc1ccc(C(=O)NC[C@@](C)(O)c2cc3ccccc3o2)cc1 ZINC000217984650 241288452 /nfs/dbraw/zinc/28/84/52/241288452.db2.gz QFZCNCZPZCPTOS-LJQANCHMSA-N 0 0 325.364 3.079 50 70 EGIARN C[C@@H](C(=O)N1CCCC[C@H]1c1cccnc1)N1Cc2ccccc2C1=O ZINC000218128595 241299960 /nfs/dbraw/zinc/29/99/60/241299960.db2.gz GUZJVXBQNDRUCO-KXBFYZLASA-N 0 0 349.434 3.180 50 70 biogenic EGIARN Cc1noc(C)c1[C@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1 ZINC000218559116 241331060 /nfs/dbraw/zinc/33/10/60/241331060.db2.gz ZIOCRXOKURUWKN-MRXNPFEDSA-N 0 0 338.411 3.464 50 70 EGIARN COc1ccc(NC(=O)c2c3c(nc4c2c(C)nn4C)CCC3)cc1 ZINC000218548438 241331204 /nfs/dbraw/zinc/33/12/04/241331204.db2.gz ZFYUGPBCCJDNBG-UHFFFAOYSA-N 0 0 336.395 3.026 50 70 EGIARN Cc1nnc([C@H]2CCCN(C(=O)c3ccc(-c4ccco4)cc3)C2)[nH]1 ZINC000217081189 241235543 /nfs/dbraw/zinc/23/55/43/241235543.db2.gz PBBMUWZSBNDSFR-INIZCTEOSA-N 0 0 336.395 3.393 50 70 EGIARN CC(C)n1cccc1C(=O)N1CCC[C@@H](OCc2ccccn2)C1 ZINC000218407112 241320064 /nfs/dbraw/zinc/32/00/64/241320064.db2.gz TZJOPYZDZYHJPR-QGZVFWFLSA-N 0 0 327.428 3.285 50 70 EGIARN O=C(N[C@@H](c1cnc2ccccc2c1)C1CC(O)C1)c1cccc(O)c1 ZINC000218521328 241328848 /nfs/dbraw/zinc/32/88/48/241328848.db2.gz QTWTZTYKZADDKZ-PKUWUEBNSA-N 0 0 348.402 3.182 50 70 EGIARN CC[C@H](C(=O)NCCn1ccnc1-c1ccccn1)c1ccccc1 ZINC000217859577 241279799 /nfs/dbraw/zinc/27/97/99/241279799.db2.gz WHHBCKMEDXPTOD-KRWDZBQOSA-N 0 0 334.423 3.255 50 70 EGIARN O=C(NCCn1nc(-c2ccsc2)cc1C1CC1)c1cccnc1 ZINC000217878581 241280426 /nfs/dbraw/zinc/28/04/26/241280426.db2.gz WFOWQHTVFJTLAY-UHFFFAOYSA-N 0 0 338.436 3.314 50 70 EGIARN CC(C)[C@@H](CO)NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1 ZINC000218207213 241306720 /nfs/dbraw/zinc/30/67/20/241306720.db2.gz ZBZCHUQJKSUTEI-CQSZACIVSA-N 0 0 342.226 3.130 50 70 EGIARN O=C(Cc1ccncc1)N1CCC[C@H](COc2ccccc2F)C1 ZINC000218776526 241345855 /nfs/dbraw/zinc/34/58/55/241345855.db2.gz CSJGFRQYYZADEF-INIZCTEOSA-N 0 0 328.387 3.081 50 70 EGIARN O=C(/C=C/c1ccco1)NC[C@@H]1CCCN1c1nc2ccccc2o1 ZINC000217636025 456034042 /nfs/dbraw/zinc/03/40/42/456034042.db2.gz MRFPHAPFZRHWBP-HBWSCVEGSA-N 0 0 337.379 3.219 50 70 EGIARN CC(=O)c1ccc(C(=O)N[C@H](C)c2nncn2C2CCCC2)s1 ZINC000218437746 534836619 /nfs/dbraw/zinc/83/66/19/534836619.db2.gz RQFZKOAMXPXADD-SNVBAGLBSA-N 0 0 332.429 3.148 50 70 EGIARN COc1ccc(NC(=O)CC2(n3cccc3)CCOCC2)c(OC)c1 ZINC000218218095 536757737 /nfs/dbraw/zinc/75/77/37/536757737.db2.gz HQRDIGOOBXHLET-UHFFFAOYSA-N 0 0 344.411 3.040 50 70 EGIARN O=C(NCCc1ccncc1)c1cc(-n2cccc2)ccc1Cl ZINC000218416661 241321453 /nfs/dbraw/zinc/32/14/53/241321453.db2.gz ANVVINAFTMKGDK-UHFFFAOYSA-N 0 0 325.799 3.498 50 70 EGIARN O=C(CCc1ccccc1)NCCn1ccc(-c2ccsc2)n1 ZINC000217885524 241282127 /nfs/dbraw/zinc/28/21/27/241282127.db2.gz WJZLFPKLYHSDCA-UHFFFAOYSA-N 0 0 325.437 3.361 50 70 EGIARN CCOc1ccccc1C(=O)NC[C@@](C)(O)c1cc2ccccc2o1 ZINC000217986469 241289707 /nfs/dbraw/zinc/28/97/07/241289707.db2.gz OUVHNILKJVIRRM-HXUWFJFHSA-N 0 0 339.391 3.469 50 70 EGIARN COc1ccc(C(=O)NC[C@](C)(O)c2cc3ccccc3o2)cc1F ZINC000217994276 241290445 /nfs/dbraw/zinc/29/04/45/241290445.db2.gz TUTQEMMKSPDNJD-IBGZPJMESA-N 0 0 343.354 3.218 50 70 EGIARN Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(C)CCCc1nccn1C ZINC000218730058 241342260 /nfs/dbraw/zinc/34/22/60/241342260.db2.gz OEKUCNOKGALEQM-AWEZNQCLSA-N 0 0 349.862 3.240 50 70 EGIARN Cc1cc(=O)cc(C(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)o1 ZINC000218699839 291654936 /nfs/dbraw/zinc/65/49/36/291654936.db2.gz OSXLYDINNIKOIG-YOEHRIQHSA-N 0 0 329.371 3.229 50 70 EGIARN CC(C)CCn1cnc2ccc(NC(=O)c3ccco3)cc2c1=O ZINC000218518882 534991219 /nfs/dbraw/zinc/99/12/19/534991219.db2.gz UKFIMJFUVAKPIA-UHFFFAOYSA-N 0 0 325.368 3.288 50 70 EGIARN CC(=O)Nc1ncc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000216708060 241204576 /nfs/dbraw/zinc/20/45/76/241204576.db2.gz AMZXZGQMLWYFRU-UHFFFAOYSA-N 0 0 333.432 3.463 50 70 EGIARN O=C(COCC(F)(F)C(F)F)N1CCCC[C@H]1c1ccccn1 ZINC000217508574 241254043 /nfs/dbraw/zinc/25/40/43/241254043.db2.gz APXHTPZQGWKFJV-LBPRGKRZSA-N 0 0 334.313 3.052 50 70 EGIARN O=C(N[C@H](c1cnc2ccccc2c1)C1CC(O)C1)c1cccc(O)c1 ZINC000218521417 241328823 /nfs/dbraw/zinc/32/88/23/241328823.db2.gz QTWTZTYKZADDKZ-UPQHMETBSA-N 0 0 348.402 3.182 50 70 EGIARN O=C(Cc1ccncc1)N1CCC[C@@H](COc2ccccc2F)C1 ZINC000218776456 241345902 /nfs/dbraw/zinc/34/59/02/241345902.db2.gz CSJGFRQYYZADEF-MRXNPFEDSA-N 0 0 328.387 3.081 50 70 EGIARN Cc1nc2cc(CNC(=O)c3cn(C)c4ccccc34)ccc2n1C ZINC000216989301 241229045 /nfs/dbraw/zinc/22/90/45/241229045.db2.gz VBJYCVGDPIHETL-UHFFFAOYSA-N 0 0 332.407 3.303 50 70 EGIARN O=C(CCCCc1ccccc1)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000217113556 241235669 /nfs/dbraw/zinc/23/56/69/241235669.db2.gz UBRHCSVIVOPVGI-GOSISDBHSA-N 0 0 331.456 3.244 50 70 EGIARN Cc1cc(C)nc(CN(C)C(=O)c2nc3cccc(C)n3c2F)c1 ZINC000217164608 241237590 /nfs/dbraw/zinc/23/75/90/241237590.db2.gz XSQGJDDVGJGWBP-UHFFFAOYSA-N 0 0 326.375 3.066 50 70 EGIARN Cc1ccc(C(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)cc1F ZINC000218425041 241322510 /nfs/dbraw/zinc/32/25/10/241322510.db2.gz LBISCEAZLVEUHF-KRWDZBQOSA-N 0 0 328.387 3.351 50 70 EGIARN CCn1ccc2cc(C(=O)N[C@H](c3ccccn3)[C@H]3C[C@H](O)C3)ccc21 ZINC000218124023 241300114 /nfs/dbraw/zinc/30/01/14/241300114.db2.gz OHIXOXXKIQXXLI-QKLQHJQFSA-N 0 0 349.434 3.298 50 70 EGIARN CN(CCC1(O)CCCC1)C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000218178823 241303286 /nfs/dbraw/zinc/30/32/86/241303286.db2.gz NDSQPGBADGUEAR-UHFFFAOYSA-N 0 0 329.362 3.402 50 70 EGIARN O=C(Cc1c[nH]c2ccccc12)Nc1nnc(CCc2ccccc2)[nH]1 ZINC000218240049 241308614 /nfs/dbraw/zinc/30/86/14/241308614.db2.gz YIGUHVRKHSNYFM-UHFFFAOYSA-N 0 0 345.406 3.252 50 70 EGIARN Cc1ccc(C2(C(=O)N[C@@H]3CCCN(Cc4cccnc4)C3)CC2)cc1 ZINC000218730579 241342376 /nfs/dbraw/zinc/34/23/76/241342376.db2.gz XMDPIQNEWWCOIL-HXUWFJFHSA-N 0 0 349.478 3.202 50 70 EGIARN CC(=O)c1ccc2c(c1O)[C@H](C1=Cc3ccccc3OC1)CC(=O)O2 ZINC000217862937 456033535 /nfs/dbraw/zinc/03/35/35/456033535.db2.gz CLGBQHYORSZTKU-HNNXBMFYSA-N 0 0 336.343 3.464 50 70 biogenic EGIARN COc1cccc(SCC(=O)N(C)CCCn2nc(C)cc2C)c1 ZINC000218497767 241326346 /nfs/dbraw/zinc/32/63/46/241326346.db2.gz QKAIKAGZNOADAD-UHFFFAOYSA-N 0 0 347.484 3.149 50 70 EGIARN Cc1cccc(N2CCC(NC(=O)c3nn(C)c4ccccc43)CC2)c1 ZINC000218647121 241337447 /nfs/dbraw/zinc/33/74/47/241337447.db2.gz OBONEVITMLSERF-UHFFFAOYSA-N 0 0 348.450 3.281 50 70 EGIARN CC[C@H](NC(=O)CCC(=O)c1cccc2ccccc21)C1CC(O)C1 ZINC000218017662 536156419 /nfs/dbraw/zinc/15/64/19/536156419.db2.gz XZGFZLOPMICFJY-RJYAGPCLSA-N 0 0 339.435 3.468 50 70 EGIARN O=C(NCc1cccs1)N1CCC[C@]2(C1)OC(=O)c1ccccc12 ZINC000217610037 241263703 /nfs/dbraw/zinc/26/37/03/241263703.db2.gz FHMQRXWAXFHAKF-GOSISDBHSA-N 0 0 342.420 3.119 50 70 EGIARN Cc1cccc(CC(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)c1 ZINC000217655479 241265466 /nfs/dbraw/zinc/26/54/66/241265466.db2.gz QPXOSJZSHYPNEH-LJQANCHMSA-N 0 0 346.434 3.270 50 70 EGIARN COCCCC1CCN(C(=O)[C@H](O)c2ccccc2Cl)CC1 ZINC000217085724 241236139 /nfs/dbraw/zinc/23/61/39/241236139.db2.gz ALUQAOLIJMIXBF-MRXNPFEDSA-N 0 0 325.836 3.039 50 70 EGIARN Cc1noc(C)c1CC(=O)NC[C@@](C)(O)c1cc2ccccc2s1 ZINC000217507149 241254218 /nfs/dbraw/zinc/25/42/18/241254218.db2.gz RCNAVSPYWXELAJ-GOSISDBHSA-N 0 0 344.436 3.073 50 70 EGIARN O=C(NCC[C@@H](O)c1ccsc1)NC12CC3CC(CC(C3)C1)C2 ZINC000217546847 241256263 /nfs/dbraw/zinc/25/62/63/241256263.db2.gz KRUQTACOYRZIAP-JKJYUFNASA-N 0 0 334.485 3.440 50 70 EGIARN Cc1c(Cl)cccc1S(=O)(=O)NCC[C@H](O)c1ccsc1 ZINC000217537513 241257568 /nfs/dbraw/zinc/25/75/68/241257568.db2.gz UQBIBGOTNHJPKN-ZDUSSCGKSA-N 0 0 345.873 3.112 50 70 EGIARN O=C(Cc1ccccc1C(F)(F)F)NCc1noc(C2CCC2)n1 ZINC000218434450 241322428 /nfs/dbraw/zinc/32/24/28/241322428.db2.gz PMUBHIDDZJHYSM-UHFFFAOYSA-N 0 0 339.317 3.215 50 70 EGIARN CCOc1ccc(C(=O)N2CCCC[C@@H]2CCn2ccnc2C)o1 ZINC000218476929 241326189 /nfs/dbraw/zinc/32/61/89/241326189.db2.gz IZSDROUZAHWVDX-OAHLLOKOSA-N 0 0 331.416 3.268 50 70 EGIARN COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)/C=C/c1ccccc1 ZINC000218006286 241289676 /nfs/dbraw/zinc/28/96/76/241289676.db2.gz IRFMQQMJOZVYDH-ZRFOIIEFSA-N 0 0 337.419 3.049 50 70 EGIARN CC1(C)C(C(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)C1(C)C ZINC000218380119 241317464 /nfs/dbraw/zinc/31/74/64/241317464.db2.gz IWFFXCYTZLXOGF-DQPZFDDXSA-N 0 0 343.467 3.232 50 70 EGIARN Cc1nccn1CC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000217087584 274860311 /nfs/dbraw/zinc/86/03/11/274860311.db2.gz PRFXKPHQDGKDNQ-MRXNPFEDSA-N 0 0 325.412 3.144 50 70 EGIARN CC(C)CCn1cnc2ccc(NC(=O)c3cccnc3)cc2c1=O ZINC000217942088 534990863 /nfs/dbraw/zinc/99/08/63/534990863.db2.gz XJORJCBNXIQKOA-UHFFFAOYSA-N 0 0 336.395 3.090 50 70 biogenic EGIARN Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1ncccn1 ZINC000217478545 241252061 /nfs/dbraw/zinc/25/20/61/241252061.db2.gz ACSKJJUABZZKBP-UHFFFAOYSA-N 0 0 344.827 3.492 50 70 EGIARN COc1ccc([C@H]2CCCN2C(=O)Cn2c(C)ccc2C)c(OC)c1 ZINC000218498908 241327225 /nfs/dbraw/zinc/32/72/25/241327225.db2.gz IWDJSCQEFGMVEP-GOSISDBHSA-N 0 0 342.439 3.486 50 70 EGIARN O=C(CCC(=O)c1ccccc1)N[C@H](Cn1cccn1)c1ccccc1 ZINC000218763977 241343271 /nfs/dbraw/zinc/34/32/71/241343271.db2.gz OZNGPWKIIMXBFT-LJQANCHMSA-N 0 0 347.418 3.404 50 70 EGIARN Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccn3nccc3c2)c1C ZINC000217962343 301180443 /nfs/dbraw/zinc/18/04/43/301180443.db2.gz SJZFODOXJAFHNO-UHFFFAOYSA-N 0 0 329.425 3.369 50 70 EGIARN O=C(/C=C/c1ccco1)NC[C@H]1CCCN1c1nc2ccccc2o1 ZINC000217635936 456033564 /nfs/dbraw/zinc/03/35/64/456033564.db2.gz MRFPHAPFZRHWBP-ATWMFIQVSA-N 0 0 337.379 3.219 50 70 EGIARN CC[C@H](C)[C@H](NC(=O)CCCn1cccn1)c1nc2ccccc2[nH]1 ZINC000218380558 535959059 /nfs/dbraw/zinc/95/90/59/535959059.db2.gz PMTOEELHBSCMGQ-KSSFIOAISA-N 0 0 339.443 3.443 50 70 EGIARN COc1ccccc1NC(=O)NC[C@](C)(O)c1cc2ccccc2o1 ZINC000218004460 537084461 /nfs/dbraw/zinc/08/44/61/537084461.db2.gz QTDWBGGKEGNPBE-IBGZPJMESA-N 0 0 340.379 3.471 50 70 EGIARN Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](C(C)C)CC(=O)O2 ZINC000217994745 547240850 /nfs/dbraw/zinc/24/08/50/547240850.db2.gz WZKRJKOUXKBDQI-MRXNPFEDSA-N 0 0 341.407 3.154 50 70 biogenic EGIARN O=C(c1cc2ccccc2[nH]1)N1CCC[C@]2(C1)OC(=O)c1ccccc12 ZINC000217586411 241260544 /nfs/dbraw/zinc/26/05/44/241260544.db2.gz UMOBCAACLHCLGT-OAQYLSRUSA-N 0 0 346.386 3.470 50 70 EGIARN O=C(NCc1cccs1)N1CCC[C@@]2(C1)OC(=O)c1ccccc12 ZINC000217610130 241262340 /nfs/dbraw/zinc/26/23/40/241262340.db2.gz FHMQRXWAXFHAKF-SFHVURJKSA-N 0 0 342.420 3.119 50 70 EGIARN O=C(/C=C/c1ccccc1)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000217670595 241268830 /nfs/dbraw/zinc/26/88/30/241268830.db2.gz GQHWJVVBMCDDSP-VAWYXSNFSA-N 0 0 330.391 3.042 50 70 EGIARN O=C(/C=C\c1ccccc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 ZINC000217808649 241274187 /nfs/dbraw/zinc/27/41/87/241274187.db2.gz AKBSZBSTESKPDJ-JXMNSVBMSA-N 0 0 337.423 3.442 50 70 EGIARN CC[C@@H](NC(=O)Cc1c(C)[nH]c2ccccc21)c1cn2cccnc2n1 ZINC000217196917 241242326 /nfs/dbraw/zinc/24/23/26/241242326.db2.gz XPIXQLSQKCNYHD-MRXNPFEDSA-N 0 0 347.422 3.329 50 70 EGIARN CN(CCO)c1ccc(C(=O)N2CC[C@@H](C3CCCCC3)C2)cc1 ZINC000217467915 241252274 /nfs/dbraw/zinc/25/22/74/241252274.db2.gz DECVVKFNACYVQN-GOSISDBHSA-N 0 0 330.472 3.158 50 70 EGIARN CC[C@H](NC(=O)Cn1nc(C)c(C(C)=O)c1C)c1nc(C)c(C)s1 ZINC000218390268 241319176 /nfs/dbraw/zinc/31/91/76/241319176.db2.gz DEYGNGTVHWJMNY-AWEZNQCLSA-N 0 0 348.472 3.043 50 70 EGIARN COc1ccc([C@@H]2CCCN2C(=O)Cn2c(C)ccc2C)c(OC)c1 ZINC000218498841 241326521 /nfs/dbraw/zinc/32/65/21/241326521.db2.gz IWDJSCQEFGMVEP-SFHVURJKSA-N 0 0 342.439 3.486 50 70 EGIARN COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)/C=C/c1ccccc1 ZINC000218006365 241289651 /nfs/dbraw/zinc/28/96/51/241289651.db2.gz IRFMQQMJOZVYDH-VZOQVYJPSA-N 0 0 337.419 3.049 50 70 EGIARN COc1ccc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc1OC ZINC000217734575 277927676 /nfs/dbraw/zinc/92/76/76/277927676.db2.gz SWHXXMXDEAISLU-ZDUSSCGKSA-N 0 0 342.347 3.053 50 70 biogenic EGIARN COc1ccccc1C1CCN(C(=O)c2ccn(C(F)F)n2)CC1 ZINC000218401222 537015983 /nfs/dbraw/zinc/01/59/83/537015983.db2.gz PYGIPERHFZZCQJ-UHFFFAOYSA-N 0 0 335.354 3.307 50 70 EGIARN O=C(/C=C/c1ccccc1)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1 ZINC000217655207 241264926 /nfs/dbraw/zinc/26/49/26/241264926.db2.gz AGKXJDBTCLPYOW-CVTTXWKISA-N 0 0 344.418 3.432 50 70 EGIARN Cc1noc(-c2ccsc2NC(=O)CCc2c(C)noc2C)n1 ZINC000217647439 241265900 /nfs/dbraw/zinc/26/59/00/241265900.db2.gz OHKIPHDDHYHHEX-UHFFFAOYSA-N 0 0 332.385 3.283 50 70 EGIARN Cc1nnc(CN(C)C(=O)c2ccc(-c3cccc(F)c3)cc2)o1 ZINC000217740945 241273247 /nfs/dbraw/zinc/27/32/47/241273247.db2.gz NURXQJJBQZCEKN-UHFFFAOYSA-N 0 0 325.343 3.456 50 70 EGIARN COc1cccc(NC(=O)NCC[C@@H](O)c2ccsc2)c1OC ZINC000217547144 241257913 /nfs/dbraw/zinc/25/79/13/241257913.db2.gz JLQUOSPEWQRKHB-CYBMUJFWSA-N 0 0 336.413 3.011 50 70 EGIARN O=C(CC1(n2cccc2)CCOCC1)Nc1cc(F)c(F)c(F)c1 ZINC000218394898 241320256 /nfs/dbraw/zinc/32/02/56/241320256.db2.gz DLUHRRAARUVKKY-UHFFFAOYSA-N 0 0 338.329 3.440 50 70 EGIARN Cc1noc(-c2c3c(sc2NC(=O)c2ccoc2)COCC3)n1 ZINC000217965252 241287113 /nfs/dbraw/zinc/28/71/13/241287113.db2.gz OLYDVNWLVNJQIU-UHFFFAOYSA-N 0 0 331.353 3.025 50 70 EGIARN COc1ccc2[nH]c(CNC(=O)Cc3ccc(F)cc3C)cc2c1 ZINC000218312477 241313766 /nfs/dbraw/zinc/31/37/66/241313766.db2.gz QKNQRZKXRYEXBY-UHFFFAOYSA-N 0 0 326.371 3.483 50 70 EGIARN Cc1cc([C@H]2CCCCN2C(=O)CN2CCc3ccccc3C2)no1 ZINC000218200392 456034719 /nfs/dbraw/zinc/03/47/19/456034719.db2.gz XGFPFBRAHFSFQI-LJQANCHMSA-N 0 0 339.439 3.095 50 70 EGIARN O=C(NC[C@@](O)(c1ccccc1)C1CC1)c1ccc2ncsc2c1 ZINC000217576994 241261204 /nfs/dbraw/zinc/26/12/04/241261204.db2.gz RMXGVFAQNMPMLM-LJQANCHMSA-N 0 0 338.432 3.324 50 70 EGIARN O=C(Cc1cccc2ccccc21)NCCSC1CCOCC1 ZINC000217707025 241269342 /nfs/dbraw/zinc/26/93/42/241269342.db2.gz LRIPZIQGDSSPHK-UHFFFAOYSA-N 0 0 329.465 3.411 50 70 EGIARN O=C(c1ccc(-c2ccccc2)cc1)N1CCC2(CCC(=O)N2)CC1 ZINC000217062220 241236382 /nfs/dbraw/zinc/23/63/82/241236382.db2.gz SUPDEBMORYNWID-UHFFFAOYSA-N 0 0 334.419 3.238 50 70 EGIARN CCOCCOc1ccccc1C(=O)N(C)[C@H](C)c1c(C)n[nH]c1C ZINC000217502228 241254584 /nfs/dbraw/zinc/25/45/84/241254584.db2.gz RATFQQZGTFBPAR-OAHLLOKOSA-N 0 0 345.443 3.275 50 70 EGIARN Cn1cccc1[C@@H](O)CCNC(=O)c1csc(-c2ccccc2)n1 ZINC000217936959 241285439 /nfs/dbraw/zinc/28/54/39/241285439.db2.gz WWDCMXSUIVRSEN-INIZCTEOSA-N 0 0 341.436 3.002 50 70 EGIARN Cc1nnc([C@H](C)NC(=O)c2cccc(N3Cc4ccccc4C3)c2)[nH]1 ZINC000217957347 241288103 /nfs/dbraw/zinc/28/81/03/241288103.db2.gz KRZVYQBNHZVJKA-ZDUSSCGKSA-N 0 0 347.422 3.124 50 70 EGIARN CCOc1ccc(C(=O)N2CCC3(CNc4ccccc43)CC2)o1 ZINC000218271979 241311212 /nfs/dbraw/zinc/31/12/12/241311212.db2.gz XSDRJGDRAXHNTN-UHFFFAOYSA-N 0 0 326.396 3.278 50 70 EGIARN O=C(/C=C\c1ccccc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 ZINC000217808726 241275811 /nfs/dbraw/zinc/27/58/11/241275811.db2.gz AKBSZBSTESKPDJ-CLOOOTJHSA-N 0 0 337.423 3.442 50 70 EGIARN Cc1cc2cc(C(=O)N3CCCn4nc([C@H](C)O)cc4C3)ccc2o1 ZINC000217177868 241239479 /nfs/dbraw/zinc/23/94/79/241239479.db2.gz SMAYRZAAZHLHEO-ZDUSSCGKSA-N 0 0 339.395 3.037 50 70 EGIARN Cc1cncnc1C1CCN(C(=O)c2cc3sccc3[nH]2)CC1 ZINC000217204672 241240214 /nfs/dbraw/zinc/24/02/14/241240214.db2.gz KLULJFKLTPJMFU-UHFFFAOYSA-N 0 0 326.425 3.348 50 70 EGIARN C[C@@](O)(CNC(=O)COc1ccccc1)c1cc2ccccc2s1 ZINC000217499151 241253434 /nfs/dbraw/zinc/25/34/34/241253434.db2.gz IBUGXAMECCPQTI-LJQANCHMSA-N 0 0 341.432 3.304 50 70 EGIARN O=C(NCCn1ccc(-c2ccsc2)n1)NCc1ccc(F)cc1 ZINC000217890981 241281086 /nfs/dbraw/zinc/28/10/86/241281086.db2.gz AQLDPAJANMLGDL-UHFFFAOYSA-N 0 0 344.415 3.250 50 70 EGIARN Cc1n[nH]c(C)c1[C@@H](C)NC(=O)Cc1ccc(F)c(Cl)c1F ZINC000218012818 241291436 /nfs/dbraw/zinc/29/14/36/241291436.db2.gz CKDFDMMASXNSBI-SSDOTTSWSA-N 0 0 327.762 3.378 50 70 EGIARN Cc1ccc(C)n1CC(=O)N[C@H](CC(C)C)c1nnc2ccccn21 ZINC000218564688 241330055 /nfs/dbraw/zinc/33/00/55/241330055.db2.gz MWPBYSQMRHAYHZ-MRXNPFEDSA-N 0 0 339.443 3.051 50 70 EGIARN CC[C@H](NC(=O)c1cn(C)c2ccc(C)cc2c1=O)c1cccnc1 ZINC000218741540 241341141 /nfs/dbraw/zinc/34/11/41/241341141.db2.gz VTTLLPVOQXCRTK-KRWDZBQOSA-N 0 0 335.407 3.123 50 70 EGIARN CC(=O)c1ccc2c(c1O)[C@H](c1cc(F)c(F)c(F)c1)CC(=O)O2 ZINC000218201081 277114414 /nfs/dbraw/zinc/11/44/14/277114414.db2.gz CIZFKFXPXPHQDN-JTQLQIEISA-N 0 0 336.265 3.453 50 70 EGIARN Cc1csc(C(=O)NCCn2nc(-c3ccncc3)cc2C)c1 ZINC000217869381 241280441 /nfs/dbraw/zinc/28/04/41/241280441.db2.gz MCXTYIRVLHMRLR-UHFFFAOYSA-N 0 0 326.425 3.053 50 70 EGIARN O=C(NCCn1ccc(-c2ccsc2)n1)NCc1cccs1 ZINC000217890407 241280977 /nfs/dbraw/zinc/28/09/77/241280977.db2.gz KOOSJFUUPJNEGN-UHFFFAOYSA-N 0 0 332.454 3.173 50 70 EGIARN COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)Nc1ccccc1C ZINC000218013047 241292024 /nfs/dbraw/zinc/29/20/24/241292024.db2.gz RJUSXGIRFAERCS-FQEVSTJZSA-N 0 0 340.423 3.349 50 70 EGIARN CSCc1ccc(C(=O)N2CCC[C@](CO)(CC(C)C)C2)o1 ZINC000218142340 241301730 /nfs/dbraw/zinc/30/17/30/241301730.db2.gz MSOWQHBALACFTH-KRWDZBQOSA-N 0 0 325.474 3.403 50 70 EGIARN CCC[C@@]1(CO)CCCN(C(=O)Cc2ccc(F)cc2Cl)C1 ZINC000218729304 241341422 /nfs/dbraw/zinc/34/14/22/241341422.db2.gz BTHPHYYWSIIDIU-QGZVFWFLSA-N 0 0 327.827 3.423 50 70 EGIARN Cc1nc(NC(=O)c2c3c(nc4c2c(C)nn4C)CCC3)sc1C ZINC000218540672 279100381 /nfs/dbraw/zinc/10/03/81/279100381.db2.gz NHMRPKLAVMRXJE-UHFFFAOYSA-N 0 0 341.440 3.091 50 70 EGIARN Cc1nc2c(s1)CCC[C@H]2NC(=O)c1cccc2c1OCCO2 ZINC000218517447 279115491 /nfs/dbraw/zinc/11/54/91/279115491.db2.gz OHRPROBLXDQDRX-GFCCVEGCSA-N 0 0 330.409 3.030 50 70 EGIARN Cc1cc(C(=O)NC[C@H](c2cccnc2)N2CCCCC2)cc(C)n1 ZINC000217355274 280350107 /nfs/dbraw/zinc/35/01/07/280350107.db2.gz LSFBULOYKXKRFJ-LJQANCHMSA-N 0 0 338.455 3.050 50 70 EGIARN CC(C)[C@H](NC(=O)CCCn1cccn1)c1nc2ccccc2n1C ZINC000218351738 535077951 /nfs/dbraw/zinc/07/79/51/535077951.db2.gz GOEBOSFJHIOFSA-SFHVURJKSA-N 0 0 339.443 3.064 50 70 EGIARN O=C(NCc1cnc2ccccc2c1)[C@H](O)c1ccc(Cl)cc1 ZINC000217707909 241270187 /nfs/dbraw/zinc/27/01/87/241270187.db2.gz URGCALFEFMBPST-QGZVFWFLSA-N 0 0 326.783 3.238 50 70 EGIARN COc1ccc2[nH]c(C(=O)N3CC(c4nc5ccccc5[nH]4)C3)cc2c1 ZINC000217381626 241247483 /nfs/dbraw/zinc/24/74/83/241247483.db2.gz YHICVXUBRJWBOF-UHFFFAOYSA-N 0 0 346.390 3.292 50 70 EGIARN CC1(C)CCc2cc(CC(=O)N[C@H](CO)c3ccccc3)ccc2O1 ZINC000217933649 241285913 /nfs/dbraw/zinc/28/59/13/241285913.db2.gz NHEXQNDRDKGELD-GOSISDBHSA-N 0 0 339.435 3.183 50 70 biogenic EGIARN COC[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccccn1 ZINC000218060981 241293906 /nfs/dbraw/zinc/29/39/06/241293906.db2.gz QJRGWVMEIXOFDM-IBGZPJMESA-N 0 0 339.439 3.189 50 70 EGIARN CC(C)OCCCNC(=O)c1c2cnn(C(C)C)c2nc2c1CCC2 ZINC000218611446 241335257 /nfs/dbraw/zinc/33/52/57/241335257.db2.gz UGUWJLHNAVOOJW-UHFFFAOYSA-N 0 0 344.459 3.046 50 70 EGIARN C[C@@H](Cc1cnccn1)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000218738274 241340804 /nfs/dbraw/zinc/34/08/04/241340804.db2.gz GYMITHKUASPNBE-INIZCTEOSA-N 0 0 331.419 3.356 50 70 EGIARN CCN(C[C@H]1CCCCO1)C(=O)COc1ccc(Cl)cc1C ZINC000218744736 241343374 /nfs/dbraw/zinc/34/33/74/241343374.db2.gz AYVOMUZWRBBQEI-OAHLLOKOSA-N 0 0 325.836 3.445 50 70 EGIARN CC(=O)c1ccc2c(c1O)[C@H](c1ccc(O)c(Cl)c1)CC(=O)O2 ZINC000217657878 456033277 /nfs/dbraw/zinc/03/32/77/456033277.db2.gz LJDDAQUPGBRPBA-NSHDSACASA-N 0 0 332.739 3.395 50 70 biogenic EGIARN CC(=O)c1ccc2c(c1O)[C@@H](c1cc(F)c(F)c(F)c1)CC(=O)O2 ZINC000218201154 456034665 /nfs/dbraw/zinc/03/46/65/456034665.db2.gz CIZFKFXPXPHQDN-SNVBAGLBSA-N 0 0 336.265 3.453 50 70 EGIARN Cc1cc(Cl)cc2c(N3CCCn4nc(CO)cc4C3)ccnc12 ZINC000217206398 241242194 /nfs/dbraw/zinc/24/21/94/241242194.db2.gz AMQIUTQUZNNBEQ-UHFFFAOYSA-N 0 0 342.830 3.296 50 70 EGIARN Cc1ccc(OCc2occc2C(=O)N(C)Cc2cnccn2)cc1 ZINC000217347292 241244273 /nfs/dbraw/zinc/24/42/73/241244273.db2.gz URSMUQUGALFFQN-UHFFFAOYSA-N 0 0 337.379 3.229 50 70 EGIARN Cc1cc(C(=O)N[C@@H]2COCC[C@@H]2Oc2ccc(F)cc2)c(C)o1 ZINC000218623115 241335747 /nfs/dbraw/zinc/33/57/47/241335747.db2.gz YLHIJYRNVRHZBB-SJORKVTESA-N 0 0 333.359 3.002 50 70 EGIARN COc1ccc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)c(OC)c1 ZINC000217627011 277927699 /nfs/dbraw/zinc/92/76/99/277927699.db2.gz LLNUURQWLWCGFN-AWEZNQCLSA-N 0 0 342.347 3.053 50 70 biogenic EGIARN CN1C(=O)C[C@@H](CNC(=O)CCCc2cccs2)c2ccccc21 ZINC000217669562 241267689 /nfs/dbraw/zinc/26/76/89/241267689.db2.gz MIGFOPMARSCRIN-AWEZNQCLSA-N 0 0 342.464 3.337 50 70 EGIARN Cc1c[nH]c(CN(C)C(=O)c2oc(COc3ccccc3)cc2C)n1 ZINC000217058275 241235968 /nfs/dbraw/zinc/23/59/68/241235968.db2.gz MJEQAAZADLVKFX-UHFFFAOYSA-N 0 0 339.395 3.471 50 70 EGIARN COc1cccc2cc(C(=O)NCC[C@H](O)c3ccsc3)oc21 ZINC000217531621 241256333 /nfs/dbraw/zinc/25/63/33/241256333.db2.gz MPAMPXKTOGJLKR-ZDUSSCGKSA-N 0 0 331.393 3.356 50 70 EGIARN CC[C@H](C(=O)NCCn1ccnc1-c1cccnc1)c1ccccc1 ZINC000217867373 241280940 /nfs/dbraw/zinc/28/09/40/241280940.db2.gz CWOGULGGYPSOPG-SFHVURJKSA-N 0 0 334.423 3.255 50 70 EGIARN Cc1noc(C)c1[C@@H]1CCCN1C(=O)CCc1nc2ccccc2[nH]1 ZINC000218559033 241331665 /nfs/dbraw/zinc/33/16/65/241331665.db2.gz ZIOCRXOKURUWKN-INIZCTEOSA-N 0 0 338.411 3.464 50 70 EGIARN Cc1n[nH]c(C)c1[C@H](C)N(C)C(=O)c1cc(-c2cccs2)nn1C ZINC000218706705 241339684 /nfs/dbraw/zinc/33/96/84/241339684.db2.gz GNAQNMBUHWZMTI-LBPRGKRZSA-N 0 0 343.456 3.322 50 70 EGIARN Cc1ccc(C2(C(=O)N[C@H]3CCCN(Cc4cccnc4)C3)CC2)cc1 ZINC000218730649 241342099 /nfs/dbraw/zinc/34/20/99/241342099.db2.gz XMDPIQNEWWCOIL-FQEVSTJZSA-N 0 0 349.478 3.202 50 70 EGIARN CC1(CNC(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)COC1 ZINC000217587368 241261609 /nfs/dbraw/zinc/26/16/09/241261609.db2.gz MQZPEOOEDOBICJ-UHFFFAOYSA-N 0 0 341.251 3.491 50 70 EGIARN Cc1nc2cc(CNC(=O)[C@@H](c3cccc(C)c3)N(C)C)ccc2[nH]1 ZINC000217666808 241268042 /nfs/dbraw/zinc/26/80/42/241268042.db2.gz VIUAGJZIVOMGTD-LJQANCHMSA-N 0 0 336.439 3.099 50 70 EGIARN Cc1ccc(CNC(=O)Cn2cc3ccccc3n2)c2cccnc12 ZINC000216925358 241223872 /nfs/dbraw/zinc/22/38/72/241223872.db2.gz DMXCBTWWIVOUIY-UHFFFAOYSA-N 0 0 330.391 3.209 50 70 EGIARN CN(Cc1nc(-c2ccncc2)no1)C(=O)c1ccc(Cl)cc1F ZINC000218529002 241328524 /nfs/dbraw/zinc/32/85/24/241328524.db2.gz UXIYNFQNOMIOMQ-UHFFFAOYSA-N 0 0 346.749 3.196 50 70 EGIARN Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cc(=O)cc(C)o3)C2)c1 ZINC000217916481 241283925 /nfs/dbraw/zinc/28/39/25/241283925.db2.gz ZIZPRFGHTVADOM-MRXNPFEDSA-N 0 0 341.407 3.188 50 70 EGIARN CSc1ccc(/C=C/C(=O)NCC[C@@H](O)c2cccn2C)cc1 ZINC000217939977 241286235 /nfs/dbraw/zinc/28/62/35/241286235.db2.gz CTHOBYAESVQARB-PYUISTEWSA-N 0 0 330.453 3.000 50 70 EGIARN CN(CCCSc1ccccc1)c1cc(C2CC(O)C2)ncn1 ZINC000218156494 241302002 /nfs/dbraw/zinc/30/20/02/241302002.db2.gz KBAOIUYZSIFDGC-UHFFFAOYSA-N 0 0 329.469 3.334 50 70 EGIARN Cc1sc(Cl)nc1C(=O)Nc1nnc([C@@H]2CCCO2)s1 ZINC000218284101 241309880 /nfs/dbraw/zinc/30/98/80/241309880.db2.gz HEFVKUGTLHPGQP-LURJTMIESA-N 0 0 330.822 3.060 50 70 EGIARN COC(=O)[C@H](CC(C)C)NC(=O)CCn1ccc2c1cccc2C ZINC000218283080 241311643 /nfs/dbraw/zinc/31/16/43/241311643.db2.gz AYTXOAHXBNGFEH-INIZCTEOSA-N 0 0 330.428 3.044 50 70 EGIARN Cc1ccccc1[C@@]1(O)CCN(C(=O)Cc2ccc(F)cc2Cl)C1 ZINC000218366827 241316746 /nfs/dbraw/zinc/31/67/46/241316746.db2.gz YQWZLTFBVVAEFX-LJQANCHMSA-N 0 0 347.817 3.450 50 70 EGIARN O=C(Cc1ccccc1OCc1ccccc1)N[C@@H]1C[C@@H]2OCC[C@H]12 ZINC000217660739 241268515 /nfs/dbraw/zinc/26/85/15/241268515.db2.gz QNABMGXILBXTSV-GGPKGHCWSA-N 0 0 337.419 3.102 50 70 EGIARN Cn1c(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc2ccccc21 ZINC000217172788 241238465 /nfs/dbraw/zinc/23/84/65/241238465.db2.gz SLNVDCMRYKQVFR-UHFFFAOYSA-N 0 0 330.391 3.294 50 70 EGIARN Cc1noc(C)c1C(=O)NC[C@@](C)(O)c1cc2ccccc2s1 ZINC000217509339 241254291 /nfs/dbraw/zinc/25/42/91/241254291.db2.gz VTADHAHIKRVPPN-QGZVFWFLSA-N 0 0 330.409 3.144 50 70 EGIARN O=C(NCCCSCc1ccc(F)cc1)[C@H]1CCC[C@@H](O)C1 ZINC000218002275 241290202 /nfs/dbraw/zinc/29/02/02/241290202.db2.gz CCUKYIOMGQHDKA-GOEBONIOSA-N 0 0 325.449 3.116 50 70 EGIARN Cc1nn(C)c(C)c1C(=O)N1CCCC[C@H]1CCc1ccccn1 ZINC000218248170 241308841 /nfs/dbraw/zinc/30/88/41/241308841.db2.gz NQYFPUMRXSHANT-KRWDZBQOSA-N 0 0 326.444 3.059 50 70 EGIARN O=C1C[C@@H](c2c(Cl)nc3sccn32)c2cc3c(cc2O1)OCO3 ZINC000218161172 304646160 /nfs/dbraw/zinc/64/61/60/304646160.db2.gz LMYTXHCQCUPUJO-MRVPVSSYSA-N 0 0 348.767 3.219 50 70 EGIARN CC(=O)c1ccc(C(=O)N[C@@H](C)c2nncn2C2CCCC2)s1 ZINC000218437672 241321226 /nfs/dbraw/zinc/32/12/26/241321226.db2.gz RQFZKOAMXPXADD-JTQLQIEISA-N 0 0 332.429 3.148 50 70 EGIARN CC[C@H](NC(=O)c1cc(-c2cccs2)n(C)n1)c1ccncc1 ZINC000218396155 535860977 /nfs/dbraw/zinc/86/09/77/535860977.db2.gz WLURIQZAJTWVOT-ZDUSSCGKSA-N 0 0 326.425 3.425 50 70 EGIARN COc1ccc([C@@H]2SCCN2C(=O)Cc2c(C)noc2C)cc1 ZINC000217628855 241265434 /nfs/dbraw/zinc/26/54/34/241265434.db2.gz SOAIPFRCCKFWAS-KRWDZBQOSA-N 0 0 332.425 3.117 50 70 EGIARN Cc1ccc(S[C@@H](C)C(=O)NCCc2nc(C3CC3)no2)cc1 ZINC000217636433 241265548 /nfs/dbraw/zinc/26/55/48/241265548.db2.gz XJDZDTACDKCNTM-LBPRGKRZSA-N 0 0 331.441 3.095 50 70 EGIARN O=C(CCCc1c[nH]c2ccccc12)N1CCC2(COC(=O)O2)CC1 ZINC000218414730 241322929 /nfs/dbraw/zinc/32/29/29/241322929.db2.gz IMQGCAROOXHYAA-UHFFFAOYSA-N 0 0 342.395 3.019 50 70 EGIARN C[C@@](O)(CNC(=O)c1ccc(F)c(F)c1)c1cc2ccccc2o1 ZINC000217985832 241290722 /nfs/dbraw/zinc/29/07/22/241290722.db2.gz RKOORGVJPPLLEA-GOSISDBHSA-N 0 0 331.318 3.349 50 70 EGIARN Cc1noc(C)c1CC(=O)NC[C@](C)(O)c1cc2ccccc2s1 ZINC000217507073 241254320 /nfs/dbraw/zinc/25/43/20/241254320.db2.gz RCNAVSPYWXELAJ-SFHVURJKSA-N 0 0 344.436 3.073 50 70 EGIARN CSCc1ccc(C(=O)N2CCC[C@@](CO)(CC(C)C)C2)o1 ZINC000218142261 241301707 /nfs/dbraw/zinc/30/17/07/241301707.db2.gz MSOWQHBALACFTH-QGZVFWFLSA-N 0 0 325.474 3.403 50 70 EGIARN O=C(Cc1ccc2c(c1)OCC2)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000218231154 241307060 /nfs/dbraw/zinc/30/70/60/241307060.db2.gz NCNVVKDBTCVEGZ-SFHVURJKSA-N 0 0 347.418 3.404 50 70 EGIARN Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCCC(C)C)n1 ZINC000218238187 241308777 /nfs/dbraw/zinc/30/87/77/241308777.db2.gz VCSWVDPRSQIYPN-SFHVURJKSA-N 0 0 340.471 3.279 50 70 EGIARN CC(=O)c1ccc(C(=O)N2CCC(Oc3cccnc3)CC2)s1 ZINC000218333375 241316290 /nfs/dbraw/zinc/31/62/90/241316290.db2.gz XLDSVLKCRCUYLI-UHFFFAOYSA-N 0 0 330.409 3.029 50 70 EGIARN O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCCC[C@H]1c1cccnc1 ZINC000217961271 547240640 /nfs/dbraw/zinc/24/06/40/547240640.db2.gz SQWWDYYFGLBDIT-HKUYNNGSSA-N 0 0 349.434 3.188 50 70 biogenic EGIARN Cc1cc(COc2ccccc2)oc1C(=O)N[C@@H]1C[C@@H]2OCC[C@H]12 ZINC000217701547 241270706 /nfs/dbraw/zinc/27/07/06/241270706.db2.gz VUGZRNAWLXEZAY-ZACQAIPSSA-N 0 0 327.380 3.074 50 70 EGIARN CCc1nc([C@H](C)n2nc(C)cc2C)n(Cc2ccc(OC)cc2)n1 ZINC000217805621 241275747 /nfs/dbraw/zinc/27/57/47/241275747.db2.gz QGJPPDUGAHOEBM-HNNXBMFYSA-N 0 0 339.443 3.320 50 70 EGIARN OC1CC(c2cc(NCc3cccc(C(F)(F)F)c3F)ncn2)C1 ZINC000218452726 241324251 /nfs/dbraw/zinc/32/42/51/241324251.db2.gz OIRZPPGUGWJNIV-UHFFFAOYSA-N 0 0 341.308 3.485 50 70 EGIARN CCc1nc(C)sc1CNC(=O)c1cc(=O)c2ccccc2o1 ZINC000218481556 241326008 /nfs/dbraw/zinc/32/60/08/241326008.db2.gz IRHFMPUBKOVOSP-UHFFFAOYSA-N 0 0 328.393 3.050 50 70 EGIARN CSCc1ccc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)o1 ZINC000217981337 241287273 /nfs/dbraw/zinc/28/72/73/241287273.db2.gz WNRHRSNKYIQJNV-UHFFFAOYSA-N 0 0 327.409 3.259 50 70 EGIARN Cc1nnc([C@@H](C)NC(=O)c2cccc(N3Cc4ccccc4C3)c2)[nH]1 ZINC000217957256 241288671 /nfs/dbraw/zinc/28/86/71/241288671.db2.gz KRZVYQBNHZVJKA-CYBMUJFWSA-N 0 0 347.422 3.124 50 70 EGIARN COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)Nc1ccccc1F ZINC000218013217 241291906 /nfs/dbraw/zinc/29/19/06/241291906.db2.gz IGVBMLQLQCTQCE-LJQANCHMSA-N 0 0 344.386 3.180 50 70 EGIARN C[C@@H](NC(=O)CSc1ccccn1)c1ccccc1-n1cccn1 ZINC000218111490 241297413 /nfs/dbraw/zinc/29/74/13/241297413.db2.gz RYCSVFZZIVJLCG-CQSZACIVSA-N 0 0 338.436 3.237 50 70 EGIARN Cc1ccccc1[C@]1(O)CCN(C(=O)Cc2ccc(F)cc2Cl)C1 ZINC000218366890 241317496 /nfs/dbraw/zinc/31/74/96/241317496.db2.gz YQWZLTFBVVAEFX-IBGZPJMESA-N 0 0 347.817 3.450 50 70 EGIARN COc1cccc(CC(=O)N(C)Cc2ccccc2-n2cccn2)c1 ZINC000218674827 241337363 /nfs/dbraw/zinc/33/73/63/241337363.db2.gz HPZNGSWDKCVXDV-UHFFFAOYSA-N 0 0 335.407 3.082 50 70 EGIARN CCCC[C@@H](NC(=O)CC1=CSC2=NCCN12)c1cccnc1 ZINC000218043530 534906921 /nfs/dbraw/zinc/90/69/21/534906921.db2.gz YFOGJXOURYGCQX-OAHLLOKOSA-N 0 0 330.457 3.079 50 70 EGIARN CC[C@H](NC(=O)c1cc2ccccc2n1C)c1cn2cccnc2n1 ZINC000216966479 535869149 /nfs/dbraw/zinc/86/91/49/535869149.db2.gz ANPNZBKXOCVWDD-AWEZNQCLSA-N 0 0 333.395 3.102 50 70 EGIARN Cc1ccc(OCc2occc2C(=O)N[C@@H]2C[C@@H]3OCC[C@H]23)cc1 ZINC000217065784 241236035 /nfs/dbraw/zinc/23/60/35/241236035.db2.gz PXECZBIZFCIGPE-OIISXLGYSA-N 0 0 327.380 3.074 50 70 EGIARN COc1cccc([C@@H]2CCCN2C(=O)COCC(F)(F)C(F)F)c1 ZINC000218399369 241319226 /nfs/dbraw/zinc/31/92/26/241319226.db2.gz JASSONXFRMPTLD-ZDUSSCGKSA-N 0 0 349.324 3.276 50 70 EGIARN Cc1cc(-c2cccs2)nn1CCNC(=O)Cc1ccsc1 ZINC000217875153 241280485 /nfs/dbraw/zinc/28/04/85/241280485.db2.gz PPHZYWVHLCUVCT-UHFFFAOYSA-N 0 0 331.466 3.340 50 70 EGIARN Cn1nc(CN(C(=O)/C=C/c2ccco2)C2CCCC2)c2c1CCC2 ZINC000217908104 241283586 /nfs/dbraw/zinc/28/35/86/241283586.db2.gz YNRPGQWDSNANJF-VAWYXSNFSA-N 0 0 339.439 3.486 50 70 EGIARN Cn1ncnc1[C@H](NC(=O)c1cccc(Oc2ccccc2)c1)C1CC1 ZINC000218079256 241295140 /nfs/dbraw/zinc/29/51/40/241295140.db2.gz UFRUHEJSQZDTAS-GOSISDBHSA-N 0 0 348.406 3.489 50 70 EGIARN O=C1C[C@H](c2cccc(OC(F)F)c2)c2cc3c(cc2O1)OCO3 ZINC000218368630 241317532 /nfs/dbraw/zinc/31/75/32/241317532.db2.gz UFHYUZCZGCRTKF-LLVKDONJSA-N 0 0 334.274 3.458 50 70 EGIARN O=C(CCC(=O)c1ccccc1)N[C@@H](Cn1cccn1)c1ccccc1 ZINC000218763944 241343816 /nfs/dbraw/zinc/34/38/16/241343816.db2.gz OZNGPWKIIMXBFT-IBGZPJMESA-N 0 0 347.418 3.404 50 70 EGIARN CC(C)(C)n1ccc(C(=O)NCc2cnn(Cc3ccccc3)c2)c1 ZINC000218141315 534959521 /nfs/dbraw/zinc/95/95/21/534959521.db2.gz WEIVOGIEBZDVIX-UHFFFAOYSA-N 0 0 336.439 3.418 50 70 EGIARN CC[C@@H](NC(=O)CCC(=O)c1cccc2ccccc21)C1CC(O)C1 ZINC000218017566 535784938 /nfs/dbraw/zinc/78/49/38/535784938.db2.gz XZGFZLOPMICFJY-LADRWXRNSA-N 0 0 339.435 3.468 50 70 EGIARN COc1cccc(CC(=O)NC[C@](C)(O)c2cc3ccccc3o2)c1 ZINC000217986651 537103777 /nfs/dbraw/zinc/10/37/77/537103777.db2.gz AKCHIAHPCROYBD-FQEVSTJZSA-N 0 0 339.391 3.008 50 70 EGIARN Cc1ccc(S[C@H](C)C(=O)NCCc2nc(C3CC3)no2)cc1 ZINC000217636518 241265423 /nfs/dbraw/zinc/26/54/23/241265423.db2.gz XJDZDTACDKCNTM-GFCCVEGCSA-N 0 0 331.441 3.095 50 70 EGIARN CN(CC(=O)NCc1ccc(-c2ccccc2)o1)Cc1ccncc1 ZINC000217784232 241274724 /nfs/dbraw/zinc/27/47/24/241274724.db2.gz LSLNIQHLASJJFK-UHFFFAOYSA-N 0 0 335.407 3.090 50 70 EGIARN Cc1nc2cc(CNC(=O)[C@@H](C)n3ccnc3C(C)C)ccc2n1C ZINC000217174997 241239230 /nfs/dbraw/zinc/23/92/30/241239230.db2.gz GKQQHLAFYNIXAO-CYBMUJFWSA-N 0 0 339.443 3.079 50 70 EGIARN COc1ccc2[nH]c(C(=O)N3CCC(c4n[nH]cc4C)CC3)cc2c1 ZINC000217201652 241242444 /nfs/dbraw/zinc/24/24/44/241242444.db2.gz GPKFNGXBFUCQGE-UHFFFAOYSA-N 0 0 338.411 3.228 50 70 EGIARN COc1cccc2cc(C(=O)NCC[C@@H](O)c3ccsc3)oc21 ZINC000217531702 241257840 /nfs/dbraw/zinc/25/78/40/241257840.db2.gz MPAMPXKTOGJLKR-CYBMUJFWSA-N 0 0 331.393 3.356 50 70 EGIARN COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)Nc1ccccc1F ZINC000218013142 241291486 /nfs/dbraw/zinc/29/14/86/241291486.db2.gz IGVBMLQLQCTQCE-IBGZPJMESA-N 0 0 344.386 3.180 50 70 EGIARN COc1ccc([C@H]2CC(=O)Oc3ccc(C(C)=O)c(O)c32)cc1OC ZINC000217734650 456033320 /nfs/dbraw/zinc/03/33/20/456033320.db2.gz SWHXXMXDEAISLU-CYBMUJFWSA-N 0 0 342.347 3.053 50 70 biogenic EGIARN CC[C@@H](NC(=O)Cn1nc(C)c(C(C)=O)c1C)c1nc(C)c(C)s1 ZINC000218390181 535788648 /nfs/dbraw/zinc/78/86/48/535788648.db2.gz DEYGNGTVHWJMNY-CQSZACIVSA-N 0 0 348.472 3.043 50 70 EGIARN O=C(NCC1(c2ccsc2)CCCC1)C(=O)Nc1ccccc1F ZINC000217485016 241252101 /nfs/dbraw/zinc/25/21/01/241252101.db2.gz NSUOEBUYJUCSMA-UHFFFAOYSA-N 0 0 346.427 3.454 50 70 EGIARN Cc1sc(Cl)nc1C(=O)Nc1nnc([C@H]2CCCO2)s1 ZINC000218284165 241309868 /nfs/dbraw/zinc/30/98/68/241309868.db2.gz HEFVKUGTLHPGQP-ZCFIWIBFSA-N 0 0 330.822 3.060 50 70 EGIARN O=C(CC1(n2cccc2)CCOCC1)Nc1cc(Cl)ccc1O ZINC000218291558 241313297 /nfs/dbraw/zinc/31/32/97/241313297.db2.gz MNWYPUSMWGAVBZ-UHFFFAOYSA-N 0 0 334.803 3.382 50 70 EGIARN CCOc1ccccc1C(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000217671296 241267832 /nfs/dbraw/zinc/26/78/32/241267832.db2.gz ALNXJPHGIOYYGR-UHFFFAOYSA-N 0 0 348.406 3.041 50 70 EGIARN COCCCC1CCN(C(=O)[C@@H](O)c2ccccc2Cl)CC1 ZINC000217085702 241236041 /nfs/dbraw/zinc/23/60/41/241236041.db2.gz ALUQAOLIJMIXBF-INIZCTEOSA-N 0 0 325.836 3.039 50 70 EGIARN COc1cccc(NC(=O)c2c3c(nc4c2c(C)nn4C)CCC3)c1 ZINC000218463288 241324971 /nfs/dbraw/zinc/32/49/71/241324971.db2.gz GNAOFTIWOFQXLW-UHFFFAOYSA-N 0 0 336.395 3.026 50 70 EGIARN O=C(Nc1cnn(CC2CCOCC2)c1)c1ccc2ncsc2c1 ZINC000218200199 241306328 /nfs/dbraw/zinc/30/63/28/241306328.db2.gz GBDRAVCTWZSSOY-UHFFFAOYSA-N 0 0 342.424 3.172 50 70 EGIARN CC[C@@H](C(=O)NCCn1ccnc1-c1cccnc1)c1ccccc1 ZINC000217867437 535416336 /nfs/dbraw/zinc/41/63/36/535416336.db2.gz CWOGULGGYPSOPG-GOSISDBHSA-N 0 0 334.423 3.255 50 70 EGIARN Cc1nc2sc([C@@H](c3ccsc3)[NH+]3CCCCC3)c([O-])n2n1 ZINC000218472193 547240661 /nfs/dbraw/zinc/24/06/61/547240661.db2.gz ZTOHGKLXECVECX-GFCCVEGCSA-N 0 0 334.470 3.442 50 70 EGIARN Cc1cccc(CC(=O)N2CC[C@H](n3cc(-c4ccccc4)nn3)C2)c1 ZINC000217655396 241266029 /nfs/dbraw/zinc/26/60/29/241266029.db2.gz QPXOSJZSHYPNEH-IBGZPJMESA-N 0 0 346.434 3.270 50 70 EGIARN Cc1nc2cc(CNC(=O)[C@H](c3cccc(C)c3)N(C)C)ccc2[nH]1 ZINC000217666902 241267778 /nfs/dbraw/zinc/26/77/78/241267778.db2.gz VIUAGJZIVOMGTD-IBGZPJMESA-N 0 0 336.439 3.099 50 70 EGIARN Cc1ccccc1CCC(=O)N1CC(n2cc(-c3ccccc3)nn2)C1 ZINC000217672509 241268567 /nfs/dbraw/zinc/26/85/67/241268567.db2.gz WEWUXBXCXFVYQK-UHFFFAOYSA-N 0 0 346.434 3.270 50 70 EGIARN CSCC[C@@H](CO)NC(=O)c1cc(CC(C)C)nc2ccccc21 ZINC000217707340 241269900 /nfs/dbraw/zinc/26/99/00/241269900.db2.gz HUEKJPBWDGNDEQ-AWEZNQCLSA-N 0 0 346.496 3.277 50 70 biogenic EGIARN Cc1nc(CC(C)C)cc(C(=O)N2CC(c3nc4ccccc4[nH]3)C2)n1 ZINC000217139079 241238459 /nfs/dbraw/zinc/23/84/59/241238459.db2.gz KLGYCWWRPWCSIM-UHFFFAOYSA-N 0 0 349.438 3.099 50 70 EGIARN O=C(CCSCc1ccccc1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000218572978 241333599 /nfs/dbraw/zinc/33/35/99/241333599.db2.gz LWWAACSQCJVQNI-MRXNPFEDSA-N 0 0 329.469 3.439 50 70 EGIARN CC[C@@H](NC(=O)c1csc(NC)n1)c1nc2cc(C)ccc2[nH]1 ZINC000217006073 241230711 /nfs/dbraw/zinc/23/07/11/241230711.db2.gz KOSYTIPAUYUFOH-SNVBAGLBSA-N 0 0 329.429 3.251 50 70 EGIARN Cn1nc(-c2ccccc2NC(=O)c2c[nH]c3ccccc23)ccc1=O ZINC000217548371 241257714 /nfs/dbraw/zinc/25/77/14/241257714.db2.gz GJWCNSBJKRKOEY-UHFFFAOYSA-N 0 0 344.374 3.181 50 70 EGIARN COCCN(Cc1cccc2ccccc21)C(=O)[C@H]1CCC[C@H](O)C1 ZINC000218017347 241292738 /nfs/dbraw/zinc/29/27/38/241292738.db2.gz BZRZMADIOWONBG-HKUYNNGSSA-N 0 0 341.451 3.366 50 70 EGIARN COc1ccc2[nH]c(CNC(=O)[C@@H](C)Sc3ccccn3)cc2c1 ZINC000218551771 241331407 /nfs/dbraw/zinc/33/14/07/241331407.db2.gz JGUCTYXKXIXNGC-GFCCVEGCSA-N 0 0 341.436 3.369 50 70 EGIARN CC[C@@H](C)[C@@H](CO)NC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000218270889 535651633 /nfs/dbraw/zinc/65/16/33/535651633.db2.gz JAZWSKDHASGSIV-JLTOFOAXSA-N 0 0 349.434 3.434 50 70 EGIARN